A0A3Q0KV22_SCHMA Loading...

Cilia- and flagella-associated protein 36

AlphaFold DB , UniProt , Accession A0A3Q0KV22, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 338 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
1M52.4Low74.2Confident90 Ų9059.2 Ų59.244%0.44332%0.319SS..  0142.40-160.5175.8-167.400109I60 I68 Y72M1-I60 HydrophobicContact CE-CB 3.98Å; M1-I60 HydrophobicContact CE-CD1 3.97Å; M1-I60 HydrophobicContact CE-CG1 3.48Å; M1-I60 VanDerWaalsContact CE-CG1 3.48Å; M1-I60 HydrophobicContact CE-CG2 4.07Å; M1-I60 HydrophobicContact SD-CB 4.43Å; M1-I60 HydrophobicContact SD-CG1 4.38Å; M1-I60 HydrophobicContact SD-CG2 3.86Å; M1-I68 HydrophobicContact CB-CD1 3.7Å; M1-I68 HydrophobicContact CB-CG1 3.83Å; M1-I68 HydrophobicContact CG-CD1 4.11Å; M1-I68 HydrophobicContact SD-CD1 3.56Å; M1-I68 VanDerWaalsContact SD-CD1 3.56Å; M1-Y72 WeakPolarHBondContact O-CE2 3.4Å; M1-Y72 VanDerWaalsContact O-CZ 3.31Å; M1-Y72 PolarHBondContact O-OH 3.32Å
2N62.9Low75.1Confident90 Ų9060 Ų6048%0.48132%0.324SS..  trans-83.5149.1179.3-168.9-5.5000110.2K4 G5N2-K4 HydrophobicContact CB-CB 4.43Å; N2-K4 PolarHBondContact O-N 3.23Å; N2-G5 PolarHBondContact O-N 3.19Å
3T67.8Low75.9Confident33 Ų3362.8 Ų62.820%0.20235%0.347CS..Hα-helixtrans-49.6-28.7173.252.90000112.4G5 L6 E7 Y72T3-G5 VanDerWaalsContact C-N 3.29Å; T3-G5 PolarHBondContact O-N 3.45Å; T3-L6 WeakPolarHBondContact O-CB 3.32Å; T3-L6 PolarHBondContact O-N 2.74Å; T3-L6 VanDerWaalsContact O-N 3.17Å; T3-E7 PolarHBondContact O-N 2.77Å; T3-Y72 HydrophobicContact CG2-CD1 4Å; T3-Y72 HydrophobicContact CG2-CG 4.33Å
4K72.7Confident76.6Confident127 Ų12767 Ų6755%0.55237%0.365SS*.Hα-helixtrans-56.9-33.7173.7-166.2164.9-171.3168.10114.7N2 N8N2-K4 HydrophobicContact CB-CB 4.43Å; N2-K4 PolarHBondContact O-N 3.23Å; K4-N8 WeakPolarHBondContact O-CB 2.97Å; K4-N8 PolarHBondContact O-N 3.28Å; K4-N8 PolarHBondContact O-OD1 3.49Å
5G75.9Confident77.3Confident22 Ų2263 Ų6323%0.22734%0.343CS..Hα-helixtrans-66.3-45.2176.300000111.4N2 T3 N8 F9 I60N2-G5 PolarHBondContact O-N 3.19Å; T3-G5 VanDerWaalsContact C-N 3.29Å; T3-G5 PolarHBondContact O-N 3.45Å; G5-N8 PolarHBondContact O-N 2.91Å; G5-F9 PolarHBondContact O-N 3.06Å; G5-I60 WeakPolarHBondContact O-CD1 3.39Å
6L76.7Confident77.9Confident0 Ų060.3 Ų60.30%033%0.331CS..Hα-helixtrans-63.8-45.7174.6-71.7168000111.2T3 N8 F9 F10 I60 I68 I87T3-L6 WeakPolarHBondContact O-CB 3.32Å; T3-L6 PolarHBondContact O-N 2.74Å; T3-L6 VanDerWaalsContact O-N 3.17Å; L6-N8 VanDerWaalsContact C-N 3.31Å; L6-N8 PolarHBondContact O-N 3.49Å; L6-F9 WeakPolarHBondContact O-CB 3.41Å; L6-F9 PolarHBondContact O-N 3.4Å; L6-F9 VanDerWaalsContact O-N 3.12Å; L6-F10 HydrophobicContact CD2-CE2 4.44Å; L6-F10 WeakPolarHBondContact O-CD2 3.35Å; L6-F10 PolarHBondContact O-N 3.44Å; L6-I60 HydrophobicContact CD2-CD1 3.74Å; L6-I60 HydrophobicContact CD2-CG2 4.22Å; L6-I60 HydrophobicContact CG-CD1 4.2Å; L6-I68 HydrophobicContact CD1-CD1 4.09Å; L6-I68 HydrophobicContact CD1-CG2 3.79Å; L6-I68 HydrophobicContact CG-CD1 4.28Å; L6-I87 HydrophobicContact CD2-CD1 3.69Å
7E77Confident78.4Confident84 Ų8458.7 Ų58.739%0.39333%0.327SS..Hα-helixtrans-55.9-45.6176.3-172.5-177.7-174.600111.5T3 F9 F10 S11T3-E7 PolarHBondContact O-N 2.77Å; E7-F9 PolarHBondContact O-N 3.32Å; E7-F10 PolarHBondContact O-N 3.45Å; E7-S11 VanDerWaalsContact O-CB 3.24Å; E7-S11 WeakPolarHBondContact O-CB 3.4Å; E7-S11 PolarHBondContact O-N 2.96Å; E7-S11 PolarHBondContact O-OG 3.31Å
8N81.9Confident79Confident103 Ų10360.1 Ų60.155%0.55133%0.331SS*.Hα-helixtrans-62.5-41.4175.9-71.8-6000112.5K4 G5 L6 S11 D12K4-N8 WeakPolarHBondContact O-CB 2.97Å; K4-N8 PolarHBondContact O-N 3.28Å; K4-N8 PolarHBondContact O-OD1 3.49Å; G5-N8 PolarHBondContact O-N 2.91Å; L6-N8 VanDerWaalsContact C-N 3.31Å; L6-N8 PolarHBondContact O-N 3.49Å; N8-S11 PolarHBondContact O-N 3.44Å; N8-D12 PolarHBondContact O-N 3.11Å
9F83.9Confident79.7Confident13 Ų1357.1 Ų57.16%0.05731%0.314CS..Hα-helixtrans-61.8-44.3177.5169.5-99.9000111.9G5 L6 E7 S11 D12 V15 L54 L55 I60G5-F9 PolarHBondContact O-N 3.06Å; L6-F9 WeakPolarHBondContact O-CB 3.41Å; L6-F9 PolarHBondContact O-N 3.4Å; L6-F9 VanDerWaalsContact O-N 3.12Å; E7-F9 PolarHBondContact O-N 3.32Å; F9-S11 VanDerWaalsContact C-N 3.35Å; F9-D12 VanDerWaalsContact O-CB 3.26Å; F9-D12 WeakPolarHBondContact O-CB 3.44Å; F9-D12 PolarHBondContact O-N 3.42Å; F9-V15 HydrophobicContact CD1-CG1 4.19Å; F9-V15 HydrophobicContact CD2-CG2 3.92Å; F9-V15 HydrophobicContact CE1-CG1 3.62Å; F9-V15 HydrophobicContact CE2-CB 4.46Å; F9-V15 HydrophobicContact CE2-CG1 4.07Å; F9-V15 HydrophobicContact CE2-CG2 3.53Å; F9-V15 HydrophobicContact CZ-CB 4.41Å; F9-V15 HydrophobicContact CZ-CG1 3.56Å; F9-V15 HydrophobicContact CZ-CG2 3.91Å; F9-V15 WeakPolarHBondContact O-CB 3.45Å; F9-V15 WeakPolarHBondContact O-CG2 3.35Å; F9-L54 HydrophobicContact CE2-CB 4.34Å; F9-L54 VanDerWaalsContact CE2-O 3.31Å; F9-L54 WeakPolarHBondContact CE2-O 3.46Å; F9-L54 HydrophobicContact CZ-CB 3.93Å; F9-L55 HydrophobicContact CD1-CD2 4.07Å; F9-L55 HydrophobicContact CE1-CD2 3.54Å; F9-L55 HydrophobicContact CE1-CG 4.29Å; F9-L55 HydrophobicContact CE2-CD2 4.18Å; F9-L55 HydrophobicContact CZ-CD2 3.59Å; F9-L55 HydrophobicContact CZ-CG 4Å; F9-I60 HydrophobicContact CB-CD1 3.59Å; F9-I60 HydrophobicContact CB-CG1 4.41Å; F9-I60 HydrophobicContact CG-CD1 4.09Å
10F81.7Confident80.2Confident6 Ų655.8 Ų55.83%0.02631%0.306CS..Hα-helixtrans-78.8-20.3179-73.5-71.7000114.4L6 E7 V15 I19 M51 S83 Y86 I87L6-F10 HydrophobicContact CD2-CE2 4.44Å; L6-F10 WeakPolarHBondContact O-CD2 3.35Å; L6-F10 PolarHBondContact O-N 3.44Å; E7-F10 PolarHBondContact O-N 3.45Å; F10-V15 HydrophobicContact CD1-CG1 4.35Å; F10-I19 HydrophobicContact CD1-CD1 4.19Å; F10-I19 HydrophobicContact CE1-CD1 3.9Å; F10-M51 HydrophobicContact CE1-CE 4.38Å; F10-M51 HydrophobicContact CZ-CE 4.49Å; F10-S83 WeakPolarHBondContact CZ-O 3.36Å; F10-Y86 HydrophobicContact CE1-CD2 4.24Å; F10-I87 HydrophobicContact CE2-CD1 3.64Å; F10-I87 HydrophobicContact CE2-CG1 4.02Å; F10-I87 HydrophobicContact CZ-CD1 3.66Å; F10-I87 HydrophobicContact CZ-CG1 3.51Å
11S82.7Confident80.7Confident83 Ų8355.5 Ų55.558%0.5831%0.308SS*.THydrogen-bonded Turntrans-76.9-11.2170.5-58.70000112.5E7 N8 F9 P13E7-S11 VanDerWaalsContact O-CB 3.24Å; E7-S11 WeakPolarHBondContact O-CB 3.4Å; E7-S11 PolarHBondContact O-N 2.96Å; E7-S11 PolarHBondContact O-OG 3.31Å; N8-S11 PolarHBondContact O-N 3.44Å; F9-S11 VanDerWaalsContact C-N 3.35Å; S11-P13 VanDerWaalsContact O-CD 3.25Å; S11-P13 WeakPolarHBondContact O-CD 3.43Å
12D85.4Confident82.7Confident69 Ų6952.3 Ų52.337%0.36929%0.291SS..  trans-66.5116.7173.9-173.4-21.2000109.6N8 F9 M14 V15 S16N8-D12 PolarHBondContact O-N 3.11Å; F9-D12 VanDerWaalsContact O-CB 3.26Å; F9-D12 WeakPolarHBondContact O-CB 3.44Å; F9-D12 PolarHBondContact O-N 3.42Å; D12-M14 PolarHBondContact O-N 3.29Å; D12-M14 VanDerWaalsContact O-N 3.11Å; D12-M14 VanDerWaalsContact OD1-CB 3.32Å; D12-M14 WeakPolarHBondContact OD1-CB 3.44Å; D12-M14 PolarHBondContact OD1-N 3.06Å; D12-V15 HydrophobicContact CB-CB 4.14Å; D12-V15 HydrophobicContact CB-CG2 3.89Å; D12-V15 PolarHBondContact O-N 3.16Å; D12-S16 PolarHBondContact O-N 3.4Å
13P85.7Confident84.2Confident97 Ų9748.1 Ų48.163%0.6327%0.269SS*.Hα-helixtrans-57.1-28179.1-24.634.9000113.4S11 S16 A17S11-P13 VanDerWaalsContact O-CD 3.25Å; S11-P13 WeakPolarHBondContact O-CD 3.43Å; P13-S16 WeakPolarHBondContact CA-OG 3.23Å; P13-S16 PolarHBondContact O-OG 3.41Å; P13-A17 WeakPolarHBondContact O-CB 3.35Å; P13-A17 PolarHBondContact O-N 2.83Å
14M85.4Confident85.2Confident121 Ų12146.6 Ų46.660%0.59626%0.259SS*.Hα-helixtrans-69.3-45.8176.6-171.6172170.600110.3D12 H18D12-M14 PolarHBondContact O-N 3.29Å; D12-M14 VanDerWaalsContact O-N 3.11Å; D12-M14 VanDerWaalsContact OD1-CB 3.32Å; D12-M14 WeakPolarHBondContact OD1-CB 3.44Å; D12-M14 PolarHBondContact OD1-N 3.06Å; M14-H18 PolarHBondContact O-N 3.02Å; M14-H18 VanDerWaalsContact O-N 3.1Å; M14-H18 PolarHBondContact O-ND1 3.14Å
15V87.6Confident86.1Confident7 Ų743.5 Ų43.54%0.04226%0.257CS..Hα-helixtrans-64-50177.4174.60000110.3F9 F10 D12 A17 H18 I19F9-V15 HydrophobicContact CD1-CG1 4.19Å; F9-V15 HydrophobicContact CD2-CG2 3.92Å; F9-V15 HydrophobicContact CE1-CG1 3.62Å; F9-V15 HydrophobicContact CE2-CB 4.46Å; F9-V15 HydrophobicContact CE2-CG1 4.07Å; F9-V15 HydrophobicContact CE2-CG2 3.53Å; F9-V15 HydrophobicContact CZ-CB 4.41Å; F9-V15 HydrophobicContact CZ-CG1 3.56Å; F9-V15 HydrophobicContact CZ-CG2 3.91Å; F9-V15 WeakPolarHBondContact O-CB 3.45Å; F9-V15 WeakPolarHBondContact O-CG2 3.35Å; F10-V15 HydrophobicContact CD1-CG1 4.35Å; D12-V15 HydrophobicContact CB-CB 4.14Å; D12-V15 HydrophobicContact CB-CG2 3.89Å; D12-V15 PolarHBondContact O-N 3.16Å; V15-A17 VanDerWaalsContact C-N 3.33Å; V15-A17 PolarHBondContact O-N 3.31Å; V15-H18 PolarHBondContact O-N 3.25Å; V15-I19 HydrophobicContact CG1-CD1 3.9Å; V15-I19 WeakPolarHBondContact O-CG1 3.42Å; V15-I19 PolarHBondContact O-N 3.46Å; V15-I19 VanDerWaalsContact O-N 3.08Å
16S86.5Confident87Confident20 Ų2045.2 Ų45.214%0.1426%0.259CS..Hα-helixtrans-60.3-43.7-179.871.20000111.4D12 P13 H18 I19 E20 N228D12-S16 PolarHBondContact O-N 3.4Å; P13-S16 WeakPolarHBondContact CA-OG 3.23Å; P13-S16 PolarHBondContact O-OG 3.41Å; S16-H18 PolarHBondContact O-N 2.89Å; S16-I19 PolarHBondContact O-N 3.3Å; S16-E20 WeakPolarHBondContact O-CB 3.1Å; S16-E20 VanDerWaalsContact O-CG 3.24Å; S16-E20 WeakPolarHBondContact O-CG 3.18Å; S16-E20 PolarHBondContact O-N 3.2Å; S16-N228 WeakPolarHBondContact CB-ND2 3.16Å
17A86.6Confident87.8Confident33 Ų3345.2 Ų45.227%0.27326%0.259SS..Hα-helixtrans-64-37.1178.800000113.1P13 V15 S21P13-A17 WeakPolarHBondContact O-CB 3.35Å; P13-A17 PolarHBondContact O-N 2.83Å; V15-A17 VanDerWaalsContact C-N 3.33Å; V15-A17 PolarHBondContact O-N 3.31Å; A17-S21 WeakPolarHBondContact O-CB 3.47Å; A17-S21 PolarHBondContact O-N 3.3Å
18H89.9Confident88.4Confident84 Ų8442.8 Ų42.839%0.38925%0.252SS..Hα-helixtrans-67.3-45.5176.6-78.780.5000111.4M14 V15 S16 S21 F22 M50 L54M14-H18 PolarHBondContact O-N 3.02Å; M14-H18 VanDerWaalsContact O-N 3.1Å; M14-H18 PolarHBondContact O-ND1 3.14Å; V15-H18 PolarHBondContact O-N 3.25Å; S16-H18 PolarHBondContact O-N 2.89Å; H18-S21 PolarHBondContact O-N 3.47Å; H18-F22 WeakPolarHBondContact O-CB 3.5Å; H18-F22 PolarHBondContact O-N 3.17Å; H18-M50 HydrophobicContact CB-SD 4.5Å; H18-L54 HydrophobicContact CB-CD1 4.08Å; H18-L54 HydrophobicContact CB-CD2 4.35Å
19I91.2Very high88.8Confident2 Ų240.3 Ų40.31%0.0124%0.238CC..Hα-helixtrans-61.4-48.4176.6-64.2170.5000109.8F10 V15 S16 S21 F22 M23 M50 M51 L54 Y86F10-I19 HydrophobicContact CD1-CD1 4.19Å; F10-I19 HydrophobicContact CE1-CD1 3.9Å; V15-I19 HydrophobicContact CG1-CD1 3.9Å; V15-I19 WeakPolarHBondContact O-CG1 3.42Å; V15-I19 PolarHBondContact O-N 3.46Å; V15-I19 VanDerWaalsContact O-N 3.08Å; S16-I19 PolarHBondContact O-N 3.3Å; I19-S21 PolarHBondContact O-N 2.92Å; I19-F22 PolarHBondContact O-N 2.98Å; I19-M23 HydrophobicContact CG2-CG 4.33Å; I19-M23 HydrophobicContact CG2-SD 4.02Å; I19-M23 WeakPolarHBondContact O-CG 3.36Å; I19-M23 PolarHBondContact O-N 3.35Å; I19-M50 HydrophobicContact CG1-CE 4.22Å; I19-M51 HydrophobicContact CD1-CE 4.3Å; I19-M51 HydrophobicContact CD1-SD 3.92Å; I19-M51 HydrophobicContact CG1-SD 3.91Å; I19-L54 HydrophobicContact CG1-CD1 4.36Å; I19-Y86 HydrophobicContact CD1-CD2 4.35Å; I19-Y86 HydrophobicContact CG2-CD1 4.4Å; I19-Y86 HydrophobicContact CG2-CD2 4.32Å; I19-Y86 HydrophobicContact CG2-CE1 4.4Å; I19-Y86 HydrophobicContact CG2-CE2 4.3Å; I19-Y86 HydrophobicContact CG2-CG 4.37Å
20E89.5Confident89.3Confident32 Ų3239.7 Ų39.715%0.1524%0.235CC..Hα-helixtrans-62.4-45.6-179.4-71.6171.9-170.500112.6S16 F22 M23 D24 S226 W227S16-E20 WeakPolarHBondContact O-CB 3.1Å; S16-E20 VanDerWaalsContact O-CG 3.24Å; S16-E20 WeakPolarHBondContact O-CG 3.18Å; S16-E20 PolarHBondContact O-N 3.2Å; E20-F22 VanDerWaalsContact C-N 3.29Å; E20-F22 PolarHBondContact O-N 3.07Å; E20-M23 PolarHBondContact O-N 3.35Å; E20-D24 WeakPolarHBondContact O-CB 3.02Å; E20-D24 VanDerWaalsContact O-CG 3.25Å; E20-D24 PolarHBondContact O-N 2.89Å; E20-S226 WeakPolarHBondContact OE1-CA 3.48Å; E20-S226 WeakPolarHBondContact OE1-CB 3.3Å; E20-S226 PolarHBondContact OE1-OG 2.98Å; E20-W227 HydrophobicContact CG-CB 4.38Å; E20-W227 HydrophobicContact CG-CG 4.29Å
21S90.6Very high89.6Confident50 Ų5040.4 Ų40.435%0.3524%0.24SC..Hα-helixtrans-62.8-38.2177.3-169.60000111.9A17 H18 I19 A25A17-S21 WeakPolarHBondContact O-CB 3.47Å; A17-S21 PolarHBondContact O-N 3.3Å; H18-S21 PolarHBondContact O-N 3.47Å; I19-S21 PolarHBondContact O-N 2.92Å; S21-A25 VanDerWaalsContact O-CB 3.32Å; S21-A25 WeakPolarHBondContact O-CB 3.47Å; S21-A25 PolarHBondContact O-N 2.71Å
22F94.9Very high89.6Confident22 Ų2243.4 Ų43.410%0.09624%0.24CC..Hα-helixtrans-65-49.9176.6-176.4-81.7000111.2H18 I19 E20 A25 H26 T43 E46 F47 M50 F96H18-F22 WeakPolarHBondContact O-CB 3.5Å; H18-F22 PolarHBondContact O-N 3.17Å; I19-F22 PolarHBondContact O-N 2.98Å; E20-F22 VanDerWaalsContact C-N 3.29Å; E20-F22 PolarHBondContact O-N 3.07Å; F22-A25 PolarHBondContact O-N 3.2Å; F22-H26 AromaticContact CD2-ND1 3.95Å; F22-H26 HydrophobicContact CE1-CB 4.4Å; F22-H26 AromaticContact CE2-CE1 3.89Å; F22-H26 AromaticContact CE2-ND1 3.91Å; F22-H26 AromaticContact CZ-ND1 3.98Å; F22-H26 PolarHBondContact O-N 3.3Å; F22-H26 VanDerWaalsContact O-N 3.15Å; F22-H26 PolarHBondContact O-ND1 2.92Å; F22-T43 HydrophobicContact CE1-CG2 3.94Å; F22-T43 HydrophobicContact CZ-CG2 3.73Å; F22-T43 WeakPolarHBondContact CZ-O 3.5Å; F22-E46 HydrophobicContact CE2-CB 4Å; F22-E46 HydrophobicContact CZ-CB 4.2Å; F22-F47 HydrophobicContact CD1-CB 4.35Å; F22-F47 AromaticContact CD1-CD2 3.64Å; F22-F47 HydrophobicContact CD1-CD2 3.64Å; F22-F47 HydrophobicContact CD1-CE2 4.5Å; F22-F47 HydrophobicContact CD1-CG 4.46Å; F22-F47 HydrophobicContact CE1-CB 3.59Å; F22-F47 AromaticContact CE1-CD2 3.72Å; F22-F47 HydrophobicContact CE1-CD2 3.72Å; F22-F47 HydrophobicContact CE1-CG 4.09Å; F22-F47 HydrophobicContact CE2-CB 4.44Å; F22-F47 HydrophobicContact CG-CD2 4.33Å; F22-F47 HydrophobicContact CZ-CB 3.65Å; F22-F47 HydrophobicContact CZ-CD2 4.45Å; F22-M50 HydrophobicContact CB-CE 3.94Å; F22-M50 HydrophobicContact CB-SD 3.72Å; F22-M50 HydrophobicContact CD2-CE 4.41Å; F22-M50 HydrophobicContact CD2-SD 3.88Å; F22-M50 HydrophobicContact CG-CE 4.04Å; F22-M50 HydrophobicContact CG-SD 3.95Å; F22-F96 HydrophobicContact CE1-CE2 4.42Å; F22-F96 HydrophobicContact CE1-CZ 4.32Å
23M93.7Very high89.3Confident2 Ų245.7 Ų45.71%0.0125%0.248CC..Hα-helixtrans-64.9-45.2-177.8-65-172.591.400111.4I19 E20 A25 H26 C27 Y86 L99 M100 V103 W227I19-M23 HydrophobicContact CG2-CG 4.33Å; I19-M23 HydrophobicContact CG2-SD 4.02Å; I19-M23 WeakPolarHBondContact O-CG 3.36Å; I19-M23 PolarHBondContact O-N 3.35Å; E20-M23 PolarHBondContact O-N 3.35Å; M23-A25 VanDerWaalsContact C-N 3.3Å; M23-A25 PolarHBondContact O-N 2.67Å; M23-H26 PolarHBondContact O-N 3.44Å; M23-C27 WeakPolarHBondContact O-CB 3.3Å; M23-C27 PolarHBondContact O-N 3.02Å; M23-C27 PolarHBondContact O-SG 3.44Å; M23-C27 VanDerWaalsContact O-SG 3.41Å; M23-Y86 HydrophobicContact CE-CE1 3.95Å; M23-Y86 HydrophobicContact SD-CD1 4.34Å; M23-Y86 HydrophobicContact SD-CE1 3.61Å; M23-L99 HydrophobicContact CE-CB 4.08Å; M23-M100 HydrophobicContact CB-SD 4.22Å; M23-M100 HydrophobicContact CE-SD 3.85Å; M23-M100 HydrophobicContact CG-SD 3.98Å; M23-V103 HydrophobicContact CB-CG1 4.14Å; M23-V103 HydrophobicContact CB-CG2 4.32Å; M23-V103 HydrophobicContact CE-CB 4.28Å; M23-V103 HydrophobicContact CE-CG2 3.33Å; M23-V103 HydrophobicContact SD-CG2 3.92Å; M23-W227 HydrophobicContact SD-CB 4.38Å; M23-W227 HydrophobicContact SD-CG 4.48Å
24D90.4Very high88.8Confident1 Ų145.8 Ų45.81%0.00524%0.239CC..Hα-helixtrans-54.9-46.6176.2-75.9-7.8000111E20 H26 W227 I270 R273 R277E20-D24 WeakPolarHBondContact O-CB 3.02Å; E20-D24 VanDerWaalsContact O-CG 3.25Å; E20-D24 PolarHBondContact O-N 2.89Å; D24-H26 PolarHBondContact O-N 3.39Å; D24-W227 PolarHBondContact OD1-NE1 2.93Å; D24-I270 WeakPolarHBondContact O-CD1 3.44Å; D24-R273 IonicContact OD1-NH1 2.67Å; D24-R273 PolarHBondContact OD1-NH1 3.35Å; D24-R273 IonicContact OD2-NH1 3.91Å; D24-R277 IonicContact OD2-CZ 3.59Å; D24-R277 IonicContact OD2-NH1 3.44Å; D24-R277 PolarHBondContact OD2-NH1 3.25Å; D24-R277 IonicContact OD2-NH2 2.91Å
25A90.7Very high88.6Confident62 Ų6245 Ų4551%0.51223%0.234SC..Hα-helixtrans-71-29.5-175.200000114S21 F22 M23S21-A25 VanDerWaalsContact O-CB 3.32Å; S21-A25 WeakPolarHBondContact O-CB 3.47Å; S21-A25 PolarHBondContact O-N 2.71Å; F22-A25 PolarHBondContact O-N 3.2Å; M23-A25 VanDerWaalsContact C-N 3.3Å; M23-A25 PolarHBondContact O-N 2.67Å
26H94.3Very high88.5Confident58 Ų5848.1 Ų48.127%0.26925%0.249SC..Hα-helixtrans-114.4-9.6-171-58.487.3000114.4F22 M23 D24 S28 F30 T43 M100F22-H26 AromaticContact CD2-ND1 3.95Å; F22-H26 HydrophobicContact CE1-CB 4.4Å; F22-H26 AromaticContact CE2-CE1 3.89Å; F22-H26 AromaticContact CE2-ND1 3.91Å; F22-H26 AromaticContact CZ-ND1 3.98Å; F22-H26 PolarHBondContact O-N 3.3Å; F22-H26 VanDerWaalsContact O-N 3.15Å; F22-H26 PolarHBondContact O-ND1 2.92Å; M23-H26 PolarHBondContact O-N 3.44Å; D24-H26 PolarHBondContact O-N 3.39Å; H26-S28 PolarHBondContact O-N 3.04Å; H26-S28 VanDerWaalsContact O-N 3.15Å; H26-F30 VanDerWaalsContact O-CD2 3.27Å; H26-F30 WeakPolarHBondContact O-CD2 3.16Å; H26-F30 WeakPolarHBondContact O-CE2 3.32Å; H26-T43 HydrophobicContact CB-CG2 3.55Å; H26-M100 HydrophobicContact CB-CE 3.64Å
27C93.9Very high88.6Confident0 Ų053.4 Ų53.40%027%0.267CS..G310 helixtrans-63.6-22.1-178.167.30000113.4M23 I29 F30 M100 V103 N104 L107M23-C27 WeakPolarHBondContact O-CB 3.3Å; M23-C27 PolarHBondContact O-N 3.02Å; M23-C27 PolarHBondContact O-SG 3.44Å; M23-C27 VanDerWaalsContact O-SG 3.41Å; C27-I29 PolarHBondContact O-N 3.05Å; C27-I29 VanDerWaalsContact O-N 3.15Å; C27-F30 PolarHBondContact O-N 3.38Å; C27-M100 HydrophobicContact CB-CE 4.16Å; C27-M100 VanDerWaalsContact N-CE 3.33Å; C27-V103 HydrophobicContact CB-CB 4.16Å; C27-V103 HydrophobicContact CB-CG1 3.68Å; C27-N104 HydrophobicContact CB-CB 4.03Å; C27-N104 WeakPolarHBondContact O-CB 3.36Å; C27-N104 PolarHBondContact O-ND2 2.71Å; C27-L107 VanDerWaalsContact SG-CD1 3.54Å
28S90.2Very high88.7Confident33 Ų3356.7 Ų56.723%0.23129%0.288CS..G310 helixtrans-60.3-29.7-170.8-68.30000114.9H26 R266H26-S28 PolarHBondContact O-N 3.04Å; H26-S28 VanDerWaalsContact O-N 3.15Å; S28-R266 PolarHBondContact O-NH1 3.32Å; S28-R266 PolarHBondContact OG-NE 3.33Å; S28-R266 PolarHBondContact OG-NH1 3.41Å; S28-R266 PolarHBondContact OG-NH2 2.96Å
29I90.4Very high88.7Confident51 Ų5158 Ų5826%0.26230%0.295SS..G310 helixtrans-81.2-18178.768.3175.6000112.7C27 T31 E39 H40C27-I29 PolarHBondContact O-N 3.05Å; C27-I29 VanDerWaalsContact O-N 3.15Å; I29-T31 PolarHBondContact O-N 3.38Å; I29-E39 HydrophobicContact CD1-CB 4.3Å; I29-E39 HydrophobicContact CD1-CG 3.77Å; I29-H40 PolarHBondContact O-NE2 3.41Å
30F93.9Very high88.8Confident0 Ų058.1 Ų58.10%030%0.295CS..  trans-88.5111.1-176.5-64.6-99.5000110.1H26 C27 H40 T43 F96 Y97 M100 N104H26-F30 VanDerWaalsContact O-CD2 3.27Å; H26-F30 WeakPolarHBondContact O-CD2 3.16Å; H26-F30 WeakPolarHBondContact O-CE2 3.32Å; C27-F30 PolarHBondContact O-N 3.38Å; F30-H40 AromaticContact CD1-CD2 3.71Å; F30-H40 HydrophobicContact CE1-CB 4.12Å; F30-H40 AromaticContact CE1-CD2 3.58Å; F30-H40 HydrophobicContact CZ-CB 4.29Å; F30-H40 AromaticContact CZ-CD2 3.85Å; F30-T43 HydrophobicContact CE2-CG2 4.13Å; F30-T43 HydrophobicContact CZ-CG2 4.2Å; F30-F96 HydrophobicContact CE1-CD1 4.28Å; F30-F96 AromaticContact CE1-CE1 3.85Å; F30-F96 HydrophobicContact CE1-CE1 3.85Å; F30-F96 HydrophobicContact CZ-CD1 4.45Å; F30-F96 AromaticContact CZ-CE1 3.59Å; F30-F96 HydrophobicContact CZ-CE1 3.59Å; F30-F96 HydrophobicContact CZ-CZ 4.16Å; F30-Y97 HydrophobicContact CD1-CD1 4.39Å; F30-Y97 AromaticContact CD1-CD2 3.55Å; F30-Y97 HydrophobicContact CD1-CD2 3.55Å; F30-Y97 AromaticContact CD1-CE2 3.68Å; F30-Y97 HydrophobicContact CD1-CE2 3.68Å; F30-Y97 AromaticContact CD1-CG 3.92Å; F30-Y97 HydrophobicContact CD1-CG 3.92Å; F30-Y97 AromaticContact CE1-CD2 3.72Å; F30-Y97 HydrophobicContact CE1-CD2 3.72Å; F30-Y97 HydrophobicContact CE1-CE2 4.11Å; F30-Y97 HydrophobicContact CE1-CG 4.3Å; F30-M100 HydrophobicContact CB-CB 3.86Å; F30-M100 HydrophobicContact CD1-CB 3.53Å; F30-M100 HydrophobicContact CD1-CG 4.28Å; F30-M100 HydrophobicContact CD2-CB 3.57Å; F30-M100 HydrophobicContact CD2-CE 3.97Å; F30-M100 HydrophobicContact CD2-CG 4.18Å; F30-M100 HydrophobicContact CE1-CB 3.91Å; F30-M100 HydrophobicContact CE1-CG 4.15Å; F30-M100 HydrophobicContact CE2-CB 3.96Å; F30-M100 HydrophobicContact CE2-CE 3.71Å; F30-M100 HydrophobicContact CE2-CG 4.06Å; F30-M100 HydrophobicContact CG-CB 3.35Å; F30-M100 HydrophobicContact CG-CG 4.31Å; F30-M100 HydrophobicContact CZ-CB 4.13Å; F30-M100 HydrophobicContact CZ-CE 4.45Å; F30-M100 HydrophobicContact CZ-CG 4.06Å; F30-N104 PolarHBondContact O-ND2 3.39Å
31T89Confident89.1Confident22 Ų2262.4 Ų62.414%0.13531%0.311CS..  trans-120.5165.6-178.176.80000111.8I29 E33 K34 Y97I29-T31 PolarHBondContact O-N 3.38Å; T31-E33 VanDerWaalsContact C-N 3.27Å; T31-E33 WeakPolarHBondContact CB-OE2 3.29Å; T31-E33 PolarHBondContact O-N 2.87Å; T31-E33 PolarHBondContact OG1-OE2 3.47Å; T31-K34 PolarHBondContact O-N 3.12Å; T31-Y97 PolarHBondContact O-OH 3.41Å
32Y81.3Confident89.3Confident146 Ų14664.6 Ų64.657%0.57332%0.318SS*.THydrogen-bonded Turntrans-71.7-25.2-176-178.4-96.2000112.6K34 Q158 M162Y32-K34 PolarHBondContact O-N 2.7Å; Y32-K34 VanDerWaalsContact O-N 3.13Å; Y32-Q158 HydrophobicContact CD2-CG 4.37Å; Y32-M162 HydrophobicContact CD2-SD 4.39Å
33E79.7Confident89.4Confident117 Ų11763.8 Ų63.855%0.54732%0.315SS..THydrogen-bonded Turntrans-67.2-8.9178.7-56.876.8-162.900112.9T31 E35T31-E33 VanDerWaalsContact C-N 3.27Å; T31-E33 WeakPolarHBondContact CB-OE2 3.29Å; T31-E33 PolarHBondContact O-N 2.87Å; T31-E33 PolarHBondContact OG1-OE2 3.47Å; E33-E35 PolarHBondContact O-N 3.37Å
34K76.1Confident89.5Confident98 Ų9864.8 Ų64.843%0.42632%0.32SS..  trans53.746.5175.5-70.7-166170.8-1610114T31 Y32 I36 E94 Y97T31-K34 PolarHBondContact O-N 3.12Å; Y32-K34 PolarHBondContact O-N 2.7Å; Y32-K34 VanDerWaalsContact O-N 3.13Å; K34-I36 PolarHBondContact O-N 3.01Å; K34-I36 VanDerWaalsContact O-N 3.13Å; K34-E94 IonicContact NZ-OE1 3.83Å; K34-E94 PolarHBondContact NZ-OE1 2.96Å; K34-E94 IonicContact NZ-OE2 3.72Å; K34-Y97 WeakPolarHBondContact CA-OH 3.32Å; K34-Y97 HydrophobicContact CG-CE1 3.9Å
35E80.8Confident89.8Confident106 Ų10671.2 Ų71.250%0.49535%0.347SS..  trans-79.691.9170.2-64.1-173.9179.600110.2E33 Y37 H40E33-E35 PolarHBondContact O-N 3.37Å; E35-Y37 HydrophobicContact CB-CD2 4.42Å; E35-Y37 HydrophobicContact CB-CE2 3.54Å; E35-Y37 WeakPolarHBondContact O-CD2 3.24Å; E35-Y37 WeakPolarHBondContact O-CE2 3.44Å; E35-Y37 PolarHBondContact O-N 3.04Å; E35-Y37 PolarHBondContact OE2-OH 2.99Å; E35-H40 PolarHBondContact O-CE1 2.96Å
36I85.7Confident90.1Very high71 Ų7172.4 Ų72.436%0.36434%0.342SS..  trans-83.3103.7-174.7-56.3172.2000111K34 Y41 F93 Y97K34-I36 PolarHBondContact O-N 3.01Å; K34-I36 VanDerWaalsContact O-N 3.13Å; I36-Y41 HydrophobicContact CG2-CD2 4.32Å; I36-Y41 HydrophobicContact CG2-CE2 3.48Å; I36-Y41 VanDerWaalsContact CG2-CE2 3.48Å; I36-F93 HydrophobicContact CD1-CE1 4.38Å; I36-F93 HydrophobicContact CG2-CE1 4.24Å; I36-F93 HydrophobicContact CG2-CZ 4.13Å; I36-Y97 HydrophobicContact CG1-CE2 4.03Å
37Y87.9Confident90.2Very high131 Ų13169.7 Ų69.751%0.51433%0.33SS..  trans-96167.7169.1-55-65.6000113.6E35 E39 H40E35-Y37 HydrophobicContact CB-CD2 4.42Å; E35-Y37 HydrophobicContact CB-CE2 3.54Å; E35-Y37 WeakPolarHBondContact O-CD2 3.24Å; E35-Y37 WeakPolarHBondContact O-CE2 3.44Å; E35-Y37 PolarHBondContact O-N 3.04Å; E35-Y37 PolarHBondContact OE2-OH 2.99Å; Y37-E39 PolarHBondContact O-N 3.46Å; Y37-H40 AromaticContact CD2-CE1 3.8Å; Y37-H40 PolarHBondContact N-CE1 2.63Å; Y37-H40 PolarHBondContact N-ND1 3.27Å; Y37-H40 PolarHBondContact O-N 3.32Å; Y37-H40 PolarHBondContact O-ND1 2.79Å; Y37-H40 VanDerWaalsContact O-ND1 3.1Å
38S87.7Confident90.1Very high103 Ų10370.1 Ų70.172%0.7233%0.333SS*.Hα-helixtrans-56.9-31.9177.351.80000113.6H40 Y41 L42S38-H40 VanDerWaalsContact C-N 3.3Å; S38-H40 PolarHBondContact O-N 3.21Å; S38-Y41 PolarHBondContact O-N 2.69Å; S38-L42 PolarHBondContact O-N 3.32Å; S38-L42 VanDerWaalsContact O-N 3.14Å
39E91.5Very high90.3Very high111 Ų11173.1 Ų73.152%0.51934%0.343SS..Hα-helixtrans-58.7-39.3178.6-166.3175.4-178.100112.2I29 Y37 Y41 L42 T43I29-E39 HydrophobicContact CD1-CB 4.3Å; I29-E39 HydrophobicContact CD1-CG 3.77Å; Y37-E39 PolarHBondContact O-N 3.46Å; E39-Y41 VanDerWaalsContact C-N 3.3Å; E39-Y41 PolarHBondContact O-N 3Å; E39-L42 WeakPolarHBondContact O-CB 3.44Å; E39-L42 PolarHBondContact O-N 3.21Å; E39-L42 VanDerWaalsContact O-N 3.1Å; E39-T43 PolarHBondContact O-N 3.47Å; E39-T43 PolarHBondContact O-OG1 3.48Å; E39-T43 VanDerWaalsContact O-OG1 3.08Å
40H93.7Very high90.5Very high4 Ų472.3 Ų72.32%0.01934%0.339CS..Hα-helixtrans-60.5-40177.8-56.899.5000112.6I29 F30 E35 Y37 S38 H44 F93 Y97I29-H40 PolarHBondContact O-NE2 3.41Å; F30-H40 AromaticContact CD1-CD2 3.71Å; F30-H40 HydrophobicContact CE1-CB 4.12Å; F30-H40 AromaticContact CE1-CD2 3.58Å; F30-H40 HydrophobicContact CZ-CB 4.29Å; F30-H40 AromaticContact CZ-CD2 3.85Å; E35-H40 PolarHBondContact O-CE1 2.96Å; Y37-H40 AromaticContact CD2-CE1 3.8Å; Y37-H40 PolarHBondContact N-CE1 2.63Å; Y37-H40 PolarHBondContact N-ND1 3.27Å; Y37-H40 PolarHBondContact O-N 3.32Å; Y37-H40 PolarHBondContact O-ND1 2.79Å; Y37-H40 VanDerWaalsContact O-ND1 3.1Å; S38-H40 VanDerWaalsContact C-N 3.3Å; S38-H40 PolarHBondContact O-N 3.21Å; H40-H44 WeakPolarHBondContact O-CB 3.45Å; H40-H44 PolarHBondContact O-N 3.37Å; H40-F93 HydrophobicContact CB-CE2 4.13Å; H40-F93 HydrophobicContact CB-CZ 3.93Å; H40-Y97 HydrophobicContact CB-CE2 4.46Å; H40-Y97 AromaticContact CD2-CE2 3.61Å; H40-Y97 AromaticContact CG-CE2 3.95Å; H40-Y97 AromaticContact NE2-CE2 3.93Å
41Y94.5Very high90.3Very high123 Ų12372.3 Ų72.348%0.48234%0.339SS..Hα-helixtrans-70.8-34.4177.6-66.6-74.7000111.7I36 S38 E39 H44 K45 F93I36-Y41 HydrophobicContact CG2-CD2 4.32Å; I36-Y41 HydrophobicContact CG2-CE2 3.48Å; I36-Y41 VanDerWaalsContact CG2-CE2 3.48Å; S38-Y41 PolarHBondContact O-N 2.69Å; E39-Y41 VanDerWaalsContact C-N 3.3Å; E39-Y41 PolarHBondContact O-N 3Å; Y41-H44 PolarHBondContact O-N 2.86Å; Y41-K45 WeakPolarHBondContact O-CB 3.42Å; Y41-K45 PolarHBondContact O-N 2.95Å; Y41-F93 HydrophobicContact CD1-CD1 4.36Å; Y41-F93 AromaticContact CD1-CD2 3.84Å; Y41-F93 HydrophobicContact CD1-CD2 3.84Å; Y41-F93 HydrophobicContact CD1-CE1 4.19Å; Y41-F93 AromaticContact CD1-CE2 3.67Å; Y41-F93 HydrophobicContact CD1-CE2 3.67Å; Y41-F93 HydrophobicContact CD1-CG 4.18Å; Y41-F93 AromaticContact CD1-CZ 3.85Å; Y41-F93 HydrophobicContact CD1-CZ 3.85Å; Y41-F93 AromaticContact CE1-CD1 3.7Å; Y41-F93 HydrophobicContact CE1-CD1 3.7Å; Y41-F93 HydrophobicContact CE1-CD2 4.03Å; Y41-F93 AromaticContact CE1-CE1 3.55Å; Y41-F93 HydrophobicContact CE1-CE1 3.55Å; Y41-F93 AromaticContact CE1-CE2 3.9Å; Y41-F93 HydrophobicContact CE1-CE2 3.9Å; Y41-F93 AromaticContact CE1-CG 3.93Å; Y41-F93 HydrophobicContact CE1-CG 3.93Å; Y41-F93 AromaticContact CE1-CZ 3.65Å; Y41-F93 HydrophobicContact CE1-CZ 3.65Å; Y41-F93 HydrophobicContact CE2-CZ 4.45Å; Y41-F93 HydrophobicContact CG-CE2 4.21Å; Y41-F93 HydrophobicContact CG-CZ 4.33Å; Y41-F93 AromaticContact CZ-CE1 3.83Å; Y41-F93 AromaticContact CZ-CZ 3.98Å
42L95.1Very high90.2Very high95 Ų9574.3 Ų74.350%0.49735%0.345SS..Hα-helixtrans-64.8-48.2174.4-176.263.3000110.6S38 E39 H44 K45 E46S38-L42 PolarHBondContact O-N 3.32Å; S38-L42 VanDerWaalsContact O-N 3.14Å; E39-L42 WeakPolarHBondContact O-CB 3.44Å; E39-L42 PolarHBondContact O-N 3.21Å; E39-L42 VanDerWaalsContact O-N 3.1Å; L42-H44 VanDerWaalsContact C-N 3.31Å; L42-H44 PolarHBondContact O-N 3.37Å; L42-K45 WeakPolarHBondContact O-CB 3.3Å; L42-K45 PolarHBondContact O-N 3.15Å; L42-K45 VanDerWaalsContact O-N 3.14Å; L42-E46 WeakPolarHBondContact O-CG 3.38Å; L42-E46 PolarHBondContact O-N 3.4Å
43T96.5Very high90.6Very high5 Ų571.2 Ų71.23%0.03135%0.345CS..Hα-helixtrans-59.8-41.4174.9-52.20000111.6F22 H26 F30 E39 K45 E46 F47 F96F22-T43 HydrophobicContact CE1-CG2 3.94Å; F22-T43 HydrophobicContact CZ-CG2 3.73Å; F22-T43 WeakPolarHBondContact CZ-O 3.5Å; H26-T43 HydrophobicContact CB-CG2 3.55Å; F30-T43 HydrophobicContact CE2-CG2 4.13Å; F30-T43 HydrophobicContact CZ-CG2 4.2Å; E39-T43 PolarHBondContact O-N 3.47Å; E39-T43 PolarHBondContact O-OG1 3.48Å; E39-T43 VanDerWaalsContact O-OG1 3.08Å; T43-K45 VanDerWaalsContact C-N 3.33Å; T43-K45 PolarHBondContact O-N 2.96Å; T43-E46 PolarHBondContact O-N 2.81Å; T43-F47 WeakPolarHBondContact O-CB 3.32Å; T43-F47 PolarHBondContact O-N 2.96Å; T43-F96 HydrophobicContact CG2-CE1 4.5Å; T43-F96 HydrophobicContact CG2-CZ 4.06Å
44H97.1Very high91Very high24 Ų2466.4 Ų66.411%0.11132%0.323CS..Hα-helixtrans-61.6-41.7175.5178.5-125.4000112.1H40 Y41 L42 F47 S48 A89 F93 F96H40-H44 WeakPolarHBondContact O-CB 3.45Å; H40-H44 PolarHBondContact O-N 3.37Å; Y41-H44 PolarHBondContact O-N 2.86Å; L42-H44 VanDerWaalsContact C-N 3.31Å; L42-H44 PolarHBondContact O-N 3.37Å; H44-F47 PolarHBondContact O-N 2.88Å; H44-S48 WeakPolarHBondContact O-CB 3.33Å; H44-S48 PolarHBondContact O-N 3.33Å; H44-S48 PolarHBondContact O-OG 3.07Å; H44-A89 PolarHBondContact CD2-O 2.92Å; H44-A89 PolarHBondContact NE2-O 3.49Å; H44-F93 HydrophobicContact CB-CD2 3.66Å; H44-F93 HydrophobicContact CB-CE2 3.99Å; H44-F93 AromaticContact CG-CD2 3.64Å; H44-F93 AromaticContact ND1-CD2 3.69Å; H44-F96 VanDerWaalsContact CA-CE1 3.48Å; H44-F96 HydrophobicContact CB-CD1 3.62Å; H44-F96 HydrophobicContact CB-CE1 3.6Å; H44-F96 HydrophobicContact CB-CG 4.41Å; H44-F96 HydrophobicContact CB-CZ 4.4Å; H44-F96 AromaticContact CD2-CD1 3.48Å; H44-F96 VanDerWaalsContact CD2-CD1 3.48Å; H44-F96 WeakPolarHBondContact CD2-CD1 3.24Å; H44-F96 AromaticContact CD2-CD2 3.95Å; H44-F96 AromaticContact CD2-CG 3.38Å; H44-F96 WeakPolarHBondContact CD2-CG 3.39Å; H44-F96 AromaticContact CG-CD1 3.82Å
45K96.1Very high91.4Very high136 Ų13661.7 Ų61.759%0.59130%0.303SS*.Hα-helixtrans-61.1-45.8175.2-177.1-177.2176.3-174.70111.2Y41 L42 T43 S48 E49Y41-K45 WeakPolarHBondContact O-CB 3.42Å; Y41-K45 PolarHBondContact O-N 2.95Å; L42-K45 WeakPolarHBondContact O-CB 3.3Å; L42-K45 PolarHBondContact O-N 3.15Å; L42-K45 VanDerWaalsContact O-N 3.14Å; T43-K45 VanDerWaalsContact C-N 3.33Å; T43-K45 PolarHBondContact O-N 2.96Å; K45-S48 WeakPolarHBondContact O-CB 3.36Å; K45-S48 PolarHBondContact O-N 3.24Å; K45-E49 WeakPolarHBondContact O-CG 3.39Å; K45-E49 PolarHBondContact O-N 3.14Å
46E97.1Very high91.5Very high87 Ų8760.8 Ų60.841%0.40730%0.301SS..Hα-helixtrans-61.8-44.3177-70.3174.1174.600112.1F22 L42 T43 S48 E49 M50F22-E46 HydrophobicContact CE2-CB 4Å; F22-E46 HydrophobicContact CZ-CB 4.2Å; L42-E46 WeakPolarHBondContact O-CG 3.38Å; L42-E46 PolarHBondContact O-N 3.4Å; T43-E46 PolarHBondContact O-N 2.81Å; E46-S48 VanDerWaalsContact C-N 3.3Å; E46-S48 PolarHBondContact O-N 3.46Å; E46-E49 PolarHBondContact O-N 2.85Å; E46-M50 WeakPolarHBondContact O-CB 3.49Å; E46-M50 PolarHBondContact O-N 3.22Å
47F96Very high91.3Very high1 Ų162 Ų620%0.00432%0.316CS..Hα-helixtrans-58.1-44.8173.6179.6-103.3000111.5F22 T43 H44 E49 M50 M51 Y86 A89 F96F22-F47 HydrophobicContact CD1-CB 4.35Å; F22-F47 AromaticContact CD1-CD2 3.64Å; F22-F47 HydrophobicContact CD1-CD2 3.64Å; F22-F47 HydrophobicContact CD1-CE2 4.5Å; F22-F47 HydrophobicContact CD1-CG 4.46Å; F22-F47 HydrophobicContact CE1-CB 3.59Å; F22-F47 AromaticContact CE1-CD2 3.72Å; F22-F47 HydrophobicContact CE1-CD2 3.72Å; F22-F47 HydrophobicContact CE1-CG 4.09Å; F22-F47 HydrophobicContact CE2-CB 4.44Å; F22-F47 HydrophobicContact CG-CD2 4.33Å; F22-F47 HydrophobicContact CZ-CB 3.65Å; F22-F47 HydrophobicContact CZ-CD2 4.45Å; T43-F47 WeakPolarHBondContact O-CB 3.32Å; T43-F47 PolarHBondContact O-N 2.96Å; H44-F47 PolarHBondContact O-N 2.88Å; F47-E49 PolarHBondContact O-N 3.36Å; F47-M50 HydrophobicContact CD2-CE 3.7Å; F47-M50 HydrophobicContact CE2-CE 3.81Å; F47-M50 PolarHBondContact O-N 3Å; F47-M51 HydrophobicContact CD1-CG 4.15Å; F47-M51 HydrophobicContact CD2-CG 4.38Å; F47-M51 HydrophobicContact CE1-CG 3.69Å; F47-M51 HydrophobicContact CE2-CG 3.96Å; F47-M51 HydrophobicContact CE2-SD 4.24Å; F47-M51 HydrophobicContact CG-CG 4.48Å; F47-M51 HydrophobicContact CZ-CG 3.58Å; F47-M51 HydrophobicContact CZ-SD 4.04Å; F47-M51 WeakPolarHBondContact O-CB 3.02Å; F47-M51 WeakPolarHBondContact O-CG 3.34Å; F47-M51 PolarHBondContact O-N 3.04Å; F47-Y86 WeakPolarHBondContact CE1-O 3.38Å; F47-A89 HydrophobicContact CE1-CB 4.03Å; F47-F96 HydrophobicContact CB-CD2 4.32Å; F47-F96 HydrophobicContact CB-CE2 3.56Å; F47-F96 HydrophobicContact CB-CZ 3.95Å; F47-F96 AromaticContact CD1-CD2 3.57Å; F47-F96 HydrophobicContact CD1-CD2 3.57Å; F47-F96 AromaticContact CD1-CE2 3.61Å; F47-F96 HydrophobicContact CD1-CE2 3.61Å; F47-F96 AromaticContact CD2-CE2 3.89Å; F47-F96 HydrophobicContact CD2-CE2 3.89Å; F47-F96 AromaticContact CE1-CD2 3.97Å; F47-F96 HydrophobicContact CE1-CD2 3.97Å; F47-F96 HydrophobicContact CE1-CE2 4.26Å; F47-F96 HydrophobicContact CE2-CE2 4.5Å; F47-F96 AromaticContact CG-CD2 3.89Å; F47-F96 HydrophobicContact CG-CD2 3.89Å; F47-F96 AromaticContact CG-CE2 3.39Å; F47-F96 HydrophobicContact CG-CE2 3.39Å; F47-F96 HydrophobicContact CG-CZ 4.27Å
48S92.7Very high90.8Very high8 Ų857.5 Ų57.56%0.05630%0.304CS..Hα-helixtrans-63.5-43.3-178.9-56.60000111.6H44 K45 E46 M51 K52 S90H44-S48 WeakPolarHBondContact O-CB 3.33Å; H44-S48 PolarHBondContact O-N 3.33Å; H44-S48 PolarHBondContact O-OG 3.07Å; K45-S48 WeakPolarHBondContact O-CB 3.36Å; K45-S48 PolarHBondContact O-N 3.24Å; E46-S48 VanDerWaalsContact C-N 3.3Å; E46-S48 PolarHBondContact O-N 3.46Å; S48-M51 PolarHBondContact O-N 3.45Å; S48-K52 WeakPolarHBondContact O-CB 3.22Å; S48-K52 VanDerWaalsContact O-CG 3.25Å; S48-K52 WeakPolarHBondContact O-CG 3.46Å; S48-K52 PolarHBondContact O-N 3.38Å; S48-S90 WeakPolarHBondContact CB-O 3.44Å; S48-S90 PolarHBondContact OG-O 2.59Å
49E93.1Very high90.1Very high96 Ų9658.1 Ų58.145%0.44931%0.308SS..Hα-helixtrans-68.4-39.1176-67.3-54.7125.900112.2K45 E46 F47 K52 S53K45-E49 WeakPolarHBondContact O-CG 3.39Å; K45-E49 PolarHBondContact O-N 3.14Å; E46-E49 PolarHBondContact O-N 2.85Å; F47-E49 PolarHBondContact O-N 3.36Å; E49-K52 PolarHBondContact O-N 3.46Å; E49-K52 IonicContact OE1-NZ 2.75Å; E49-K52 PolarHBondContact OE1-NZ 3.39Å; E49-S53 WeakPolarHBondContact O-CB 3.5Å; E49-S53 PolarHBondContact O-N 3.16Å
50M94.2Very high89.1Confident35 Ų3553 Ų5317%0.17228%0.284CS..Hα-helixtrans-58.9-50172.4-179.3-167.172.400110.9H18 I19 F22 E46 F47 K52 S53 L54H18-M50 HydrophobicContact CB-SD 4.5Å; I19-M50 HydrophobicContact CG1-CE 4.22Å; F22-M50 HydrophobicContact CB-CE 3.94Å; F22-M50 HydrophobicContact CB-SD 3.72Å; F22-M50 HydrophobicContact CD2-CE 4.41Å; F22-M50 HydrophobicContact CD2-SD 3.88Å; F22-M50 HydrophobicContact CG-CE 4.04Å; F22-M50 HydrophobicContact CG-SD 3.95Å; E46-M50 WeakPolarHBondContact O-CB 3.49Å; E46-M50 PolarHBondContact O-N 3.22Å; F47-M50 HydrophobicContact CD2-CE 3.7Å; F47-M50 HydrophobicContact CE2-CE 3.81Å; F47-M50 PolarHBondContact O-N 3Å; M50-K52 PolarHBondContact O-N 2.9Å; M50-S53 WeakPolarHBondContact O-CB 3.17Å; M50-S53 PolarHBondContact O-N 3.43Å; M50-L54 HydrophobicContact CE-CD1 4.44Å; M50-L54 HydrophobicContact CG-CD1 4.04Å; M50-L54 HydrophobicContact CG-CG 4.45Å; M50-L54 WeakPolarHBondContact O-CG 3.35Å; M50-L54 PolarHBondContact O-N 3.3Å
51M89.8Confident88.1Confident0 Ų057.2 Ų57.20%030%0.303CS..Hα-helixtrans-61.7-43.5179.1-74.1-55.8-6000111.8F10 I19 F47 S48 S53 L54 L55 I87F10-M51 HydrophobicContact CE1-CE 4.38Å; F10-M51 HydrophobicContact CZ-CE 4.49Å; I19-M51 HydrophobicContact CD1-CE 4.3Å; I19-M51 HydrophobicContact CD1-SD 3.92Å; I19-M51 HydrophobicContact CG1-SD 3.91Å; F47-M51 HydrophobicContact CD1-CG 4.15Å; F47-M51 HydrophobicContact CD2-CG 4.38Å; F47-M51 HydrophobicContact CE1-CG 3.69Å; F47-M51 HydrophobicContact CE2-CG 3.96Å; F47-M51 HydrophobicContact CE2-SD 4.24Å; F47-M51 HydrophobicContact CG-CG 4.48Å; F47-M51 HydrophobicContact CZ-CG 3.58Å; F47-M51 HydrophobicContact CZ-SD 4.04Å; F47-M51 WeakPolarHBondContact O-CB 3.02Å; F47-M51 WeakPolarHBondContact O-CG 3.34Å; F47-M51 PolarHBondContact O-N 3.04Å; S48-M51 PolarHBondContact O-N 3.45Å; M51-S53 VanDerWaalsContact C-N 3.32Å; M51-S53 PolarHBondContact O-N 3.42Å; M51-L54 PolarHBondContact O-N 2.92Å; M51-L54 HydrophobicContact SD-CD1 4.39Å; M51-L55 HydrophobicContact CE-CD1 4.39Å; M51-L55 WeakPolarHBondContact O-CB 3.22Å; M51-L55 WeakPolarHBondContact O-CD1 3.25Å; M51-L55 VanDerWaalsContact O-CG 3.22Å; M51-L55 WeakPolarHBondContact O-CG 3.35Å; M51-L55 PolarHBondContact O-N 2.61Å; M51-I87 HydrophobicContact CE-CG1 4.41Å
52K88Confident86.8Confident64 Ų6453.5 Ų53.528%0.27829%0.289SS..Hα-helixtrans-58.4-44.1173.9-74.3171-168.7171.30111.9S48 E49 M50 L55 N56 Y62S48-K52 WeakPolarHBondContact O-CB 3.22Å; S48-K52 VanDerWaalsContact O-CG 3.25Å; S48-K52 WeakPolarHBondContact O-CG 3.46Å; S48-K52 PolarHBondContact O-N 3.38Å; E49-K52 PolarHBondContact O-N 3.46Å; E49-K52 IonicContact OE1-NZ 2.75Å; E49-K52 PolarHBondContact OE1-NZ 3.39Å; M50-K52 PolarHBondContact O-N 2.9Å; K52-L55 PolarHBondContact O-N 3.46Å; K52-N56 VanDerWaalsContact O-CB 3.27Å; K52-N56 WeakPolarHBondContact O-CB 3.11Å; K52-N56 PolarHBondContact O-N 3.22Å; K52-N56 PolarHBondContact O-ND2 2.91Å; K52-Y62 HydrophobicContact CG-CD2 3.82Å; K52-Y62 HydrophobicContact CG-CE1 4.42Å; K52-Y62 HydrophobicContact CG-CE2 3.68Å; K52-Y62 HydrophobicContact CG-CG 4.27Å
53S88.9Confident85.5Confident80 Ų8054.5 Ų54.556%0.55930%0.295SS*.Hα-helixtrans-62.7-48.1178.5-174.30000111.9E49 M50 M51 L55 N56 S57E49-S53 WeakPolarHBondContact O-CB 3.5Å; E49-S53 PolarHBondContact O-N 3.16Å; M50-S53 WeakPolarHBondContact O-CB 3.17Å; M50-S53 PolarHBondContact O-N 3.43Å; M51-S53 VanDerWaalsContact C-N 3.32Å; M51-S53 PolarHBondContact O-N 3.42Å; S53-L55 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 3.4Å; S53-N56 PolarHBondContact O-N 2.91Å; S53-S57 PolarHBondContact O-N 2.92Å; S53-S57 PolarHBondContact O-OG 3.39Å
54L87.9Confident84.3Confident16 Ų1658.2 Ų58.28%0.08431%0.312CS..Hα-helixtrans-61.9-41.3177.4-68.8172.1000111.9F9 H18 I19 M50 M51 S57 S58F9-L54 HydrophobicContact CE2-CB 4.34Å; F9-L54 VanDerWaalsContact CE2-O 3.31Å; F9-L54 WeakPolarHBondContact CE2-O 3.46Å; F9-L54 HydrophobicContact CZ-CB 3.93Å; H18-L54 HydrophobicContact CB-CD1 4.08Å; H18-L54 HydrophobicContact CB-CD2 4.35Å; I19-L54 HydrophobicContact CG1-CD1 4.36Å; M50-L54 HydrophobicContact CE-CD1 4.44Å; M50-L54 HydrophobicContact CG-CD1 4.04Å; M50-L54 HydrophobicContact CG-CG 4.45Å; M50-L54 WeakPolarHBondContact O-CG 3.35Å; M50-L54 PolarHBondContact O-N 3.3Å; M51-L54 PolarHBondContact O-N 2.92Å; M51-L54 HydrophobicContact SD-CD1 4.39Å; L54-S57 PolarHBondContact O-OG 3.02Å; L54-S58 PolarHBondContact O-N 3.36Å
55L84.3Confident82.9Confident0 Ų057.1 Ų57.10%031%0.307CS..Hα-helixtrans-68.8-45.4178.7-71162.4000111F9 M51 K52 S53 S57 S58 I60 Y62 I65 I87F9-L55 HydrophobicContact CD1-CD2 4.07Å; F9-L55 HydrophobicContact CE1-CD2 3.54Å; F9-L55 HydrophobicContact CE1-CG 4.29Å; F9-L55 HydrophobicContact CE2-CD2 4.18Å; F9-L55 HydrophobicContact CZ-CD2 3.59Å; F9-L55 HydrophobicContact CZ-CG 4Å; M51-L55 HydrophobicContact CE-CD1 4.39Å; M51-L55 WeakPolarHBondContact O-CB 3.22Å; M51-L55 WeakPolarHBondContact O-CD1 3.25Å; M51-L55 VanDerWaalsContact O-CG 3.22Å; M51-L55 WeakPolarHBondContact O-CG 3.35Å; M51-L55 PolarHBondContact O-N 2.61Å; K52-L55 PolarHBondContact O-N 3.46Å; S53-L55 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 3.4Å; L55-S57 VanDerWaalsContact C-N 3.28Å; L55-S57 PolarHBondContact O-N 3.46Å; L55-S58 WeakPolarHBondContact O-CA 3.27Å; L55-S58 WeakPolarHBondContact O-CB 3.49Å; L55-S58 PolarHBondContact O-N 3.19Å; L55-S58 PolarHBondContact O-OG 2.85Å; L55-I60 CarbonylContact C-O 3.39Å; L55-I60 HydrophobicContact CD2-CB 4.46Å; L55-I60 HydrophobicContact CD2-CG2 4.49Å; L55-Y62 HydrophobicContact CD1-CD2 3.7Å; L55-Y62 HydrophobicContact CD1-CE2 4.23Å; L55-I65 HydrophobicContact CB-CD1 4.32Å; L55-I65 HydrophobicContact CD1-CD1 3.39Å; L55-I65 HydrophobicContact CD2-CD1 3.56Å; L55-I65 HydrophobicContact CG-CD1 3.92Å; L55-I87 HydrophobicContact CD1-CG2 4.2Å
56N84Confident81.5Confident87 Ų8757.3 Ų57.347%0.46531%0.31SS..Hα-helixtrans-68.8-22.7-179.9-70.2-21.6000114.1K52 S53 S58K52-N56 VanDerWaalsContact O-CB 3.27Å; K52-N56 WeakPolarHBondContact O-CB 3.11Å; K52-N56 PolarHBondContact O-N 3.22Å; K52-N56 PolarHBondContact O-ND2 2.91Å; S53-N56 PolarHBondContact O-N 2.91Å; N56-S58 VanDerWaalsContact C-N 3.27Å
57S81.3Confident79.9Confident97 Ų9759.2 Ų59.268%0.67832%0.319SS*.Hα-helixtrans-78.7-13.9171.467.30000113S53 L54 L55S53-S57 PolarHBondContact O-N 2.92Å; S53-S57 PolarHBondContact O-OG 3.39Å; L54-S57 PolarHBondContact O-OG 3.02Å; L55-S57 VanDerWaalsContact C-N 3.28Å; L55-S57 PolarHBondContact O-N 3.46Å
58S77.7Confident78.3Confident36 Ų3659.3 Ų59.325%0.25232%0.319SS..SBendtrans-93.7177.1177.383.40000112.1L54 L55 N56 I60L54-S58 PolarHBondContact O-N 3.36Å; L55-S58 WeakPolarHBondContact O-CA 3.27Å; L55-S58 WeakPolarHBondContact O-CB 3.49Å; L55-S58 PolarHBondContact O-N 3.19Å; L55-S58 PolarHBondContact O-OG 2.85Å; N56-S58 VanDerWaalsContact C-N 3.27Å; S58-I60 PolarHBondContact O-N 3.02Å; S58-I60 WeakPolarHBondContact OG-CB 3.43Å; S58-I60 PolarHBondContact OG-N 3.11Å
59S72.1Confident77Confident116 Ų11659.3 Ų59.381%0.81132%0.318SS*.SBendtrans-72.4-3.2170.3-51.10000113.7
60I72.1Confident75.6Confident4 Ų456 Ų562%0.02130%0.304CS..SBendtrans-98.996.1-177.7-39.7-161.8000108.9M1 G5 L6 F9 L55 S58 Y62 I65M1-I60 HydrophobicContact CE-CB 3.98Å; M1-I60 HydrophobicContact CE-CD1 3.97Å; M1-I60 HydrophobicContact CE-CG1 3.48Å; M1-I60 VanDerWaalsContact CE-CG1 3.48Å; M1-I60 HydrophobicContact CE-CG2 4.07Å; M1-I60 HydrophobicContact SD-CB 4.43Å; M1-I60 HydrophobicContact SD-CG1 4.38Å; M1-I60 HydrophobicContact SD-CG2 3.86Å; G5-I60 WeakPolarHBondContact O-CD1 3.39Å; L6-I60 HydrophobicContact CD2-CD1 3.74Å; L6-I60 HydrophobicContact CD2-CG2 4.22Å; L6-I60 HydrophobicContact CG-CD1 4.2Å; F9-I60 HydrophobicContact CB-CD1 3.59Å; F9-I60 HydrophobicContact CB-CG1 4.41Å; F9-I60 HydrophobicContact CG-CD1 4.09Å; L55-I60 CarbonylContact C-O 3.39Å; L55-I60 HydrophobicContact CD2-CB 4.46Å; L55-I60 HydrophobicContact CD2-CG2 4.49Å; S58-I60 PolarHBondContact O-N 3.02Å; S58-I60 WeakPolarHBondContact OG-CB 3.43Å; S58-I60 PolarHBondContact OG-N 3.11Å; I60-Y62 PolarHBondContact O-N 3.17Å; I60-I65 HydrophobicContact CG2-CD1 4.06Å; I60-I65 HydrophobicContact CG2-CG1 3.6Å
61H70.8Confident74Confident91 Ų9158.7 Ų58.742%0.42132%0.323SS..  trans-67.6134.2177.7-166.6-86.7000110N63 Q64H61-N63 PolarHBondContact CE1-ND2 3.16Å; H61-N63 PolarHBondContact ND1-N 3.15Å; H61-N63 PolarHBondContact O-N 3.2Å; H61-Q64 HydrophobicContact CB-CG 4.05Å; H61-Q64 WeakPolarHBondContact O-CB 3.26Å; H61-Q64 PolarHBondContact O-N 3.12Å
62Y68.2Low72.7Confident45 Ų4562.5 Ų62.518%0.17634%0.338CS..Hα-helixtrans-48.9-41-176.8-176.2-97.5000113K52 L55 I60 Q64 I65 S90K52-Y62 HydrophobicContact CG-CD2 3.82Å; K52-Y62 HydrophobicContact CG-CE1 4.42Å; K52-Y62 HydrophobicContact CG-CE2 3.68Å; K52-Y62 HydrophobicContact CG-CG 4.27Å; L55-Y62 HydrophobicContact CD1-CD2 3.7Å; L55-Y62 HydrophobicContact CD1-CE2 4.23Å; I60-Y62 PolarHBondContact O-N 3.17Å; Y62-Q64 VanDerWaalsContact C-N 3.35Å; Y62-Q64 PolarHBondContact O-N 2.91Å; Y62-I65 HydrophobicContact CD2-CD1 4.45Å; Y62-I65 WeakPolarHBondContact O-CB 3.5Å; Y62-I65 PolarHBondContact O-N 3.17Å; Y62-S90 PolarHBondContact OH-OG 2.96Å
63N68.2Low71.7Confident117 Ų11767.7 Ų67.763%0.62636%0.361SS*.Hα-helixtrans-68.8-25.9178.8-60.3-18.7000114.6H61 I65H61-N63 PolarHBondContact CE1-ND2 3.16Å; H61-N63 PolarHBondContact ND1-N 3.15Å; H61-N63 PolarHBondContact O-N 3.2Å; N63-I65 PolarHBondContact O-N 3.45Å
64Q69.9Low70.8Confident83 Ų8364.2 Ų64.239%0.38834%0.336SS..Hα-helixtrans-72.3-23.2176.8-69.5173.9-17.700111.5H61 Y62 Q66 E67 I68H61-Q64 HydrophobicContact CB-CG 4.05Å; H61-Q64 WeakPolarHBondContact O-CB 3.26Å; H61-Q64 PolarHBondContact O-N 3.12Å; Y62-Q64 VanDerWaalsContact C-N 3.35Å; Y62-Q64 PolarHBondContact O-N 2.91Å; Q64-Q66 VanDerWaalsContact C-N 3.3Å; Q64-Q66 PolarHBondContact O-N 3.37Å; Q64-E67 WeakPolarHBondContact O-CB 3.31Å; Q64-E67 PolarHBondContact O-N 2.92Å; Q64-E67 VanDerWaalsContact O-N 3.14Å; Q64-I68 WeakPolarHBondContact O-CG1 3.32Å; Q64-I68 PolarHBondContact O-N 3.36Å; Q64-I68 VanDerWaalsContact O-N 3.16Å
65I69.6Low70Confident1 Ų166.5 Ų66.51%0.00535%0.35CS..Hα-helixtrans-65.7-37.5-175.3-60.2171.1000111.2L55 I60 Y62 N63 E67 I68 Y69 I87L55-I65 HydrophobicContact CB-CD1 4.32Å; L55-I65 HydrophobicContact CD1-CD1 3.39Å; L55-I65 HydrophobicContact CD2-CD1 3.56Å; L55-I65 HydrophobicContact CG-CD1 3.92Å; I60-I65 HydrophobicContact CG2-CD1 4.06Å; I60-I65 HydrophobicContact CG2-CG1 3.6Å; Y62-I65 HydrophobicContact CD2-CD1 4.45Å; Y62-I65 WeakPolarHBondContact O-CB 3.5Å; Y62-I65 PolarHBondContact O-N 3.17Å; N63-I65 PolarHBondContact O-N 3.45Å; I65-E67 PolarHBondContact O-N 2.85Å; I65-I68 WeakPolarHBondContact O-CB 3.25Å; I65-I68 PolarHBondContact O-N 3.07Å; I65-Y69 HydrophobicContact CB-CE2 4.38Å; I65-Y69 HydrophobicContact CG2-CD2 4.22Å; I65-Y69 HydrophobicContact CG2-CE1 4.38Å; I65-Y69 HydrophobicContact CG2-CE2 3.2Å; I65-Y69 WeakPolarHBondContact CG2-OH 3.42Å; I65-Y69 WeakPolarHBondContact O-CD2 3.34Å; I65-Y69 VanDerWaalsContact O-CE2 3.29Å; I65-Y69 WeakPolarHBondContact O-CE2 3.44Å; I65-Y69 PolarHBondContact O-N 2.93Å; I65-I87 HydrophobicContact CD1-CD1 4.45Å; I65-I87 HydrophobicContact CD1-CG2 4.03Å; I65-I87 HydrophobicContact CG2-CD1 4.12Å; I65-I87 HydrophobicContact CG2-CG2 3.63Å
66Q64.6Low69.2Low140 Ų14070.1 Ų70.165%0.65437%0.367SS*.Hα-helixtrans-58.4-38.7175.2-168.5176.6-36.400111.9Q64 Y69 T70Q64-Q66 VanDerWaalsContact C-N 3.3Å; Q64-Q66 PolarHBondContact O-N 3.37Å; Q66-Y69 PolarHBondContact O-N 3.46Å; Q66-T70 PolarHBondContact O-N 3.13Å
67E64.6Low68.6Low126 Ų12673.1 Ų73.159%0.58938%0.383SS*.Hα-helixtrans-69.1-33.5176.4-167.7-172.9172.600112.2Q64 I65 Y69 T70 T71Q64-E67 WeakPolarHBondContact O-CB 3.31Å; Q64-E67 PolarHBondContact O-N 2.92Å; Q64-E67 VanDerWaalsContact O-N 3.14Å; I65-E67 PolarHBondContact O-N 2.85Å; E67-Y69 VanDerWaalsContact C-N 3.3Å; E67-Y69 PolarHBondContact O-N 2.97Å; E67-T70 PolarHBondContact O-OG1 2.97Å; E67-T70 VanDerWaalsContact O-OG1 3.06Å; E67-T71 VanDerWaalsContact O-CB 3.32Å; E67-T71 WeakPolarHBondContact O-CB 3.33Å; E67-T71 PolarHBondContact O-N 2.87Å; E67-T71 VanDerWaalsContact O-N 3.11Å; E67-T71 PolarHBondContact O-OG1 3.44Å
68I63.2Low68.1Low4 Ų470.7 Ų70.72%0.02136%0.362CS..Hα-helixtrans-63-39.2177.1-60.6169.7000110.5M1 L6 Q64 I65 T71 Y72M1-I68 HydrophobicContact CB-CD1 3.7Å; M1-I68 HydrophobicContact CB-CG1 3.83Å; M1-I68 HydrophobicContact CG-CD1 4.11Å; M1-I68 HydrophobicContact SD-CD1 3.56Å; M1-I68 VanDerWaalsContact SD-CD1 3.56Å; L6-I68 HydrophobicContact CD1-CD1 4.09Å; L6-I68 HydrophobicContact CD1-CG2 3.79Å; L6-I68 HydrophobicContact CG-CD1 4.28Å; Q64-I68 WeakPolarHBondContact O-CG1 3.32Å; Q64-I68 PolarHBondContact O-N 3.36Å; Q64-I68 VanDerWaalsContact O-N 3.16Å; I65-I68 WeakPolarHBondContact O-CB 3.25Å; I65-I68 PolarHBondContact O-N 3.07Å; I68-T71 PolarHBondContact O-N 2.77Å; I68-Y72 HydrophobicContact CG2-CD2 4.01Å; I68-Y72 WeakPolarHBondContact O-CB 3.49Å; I68-Y72 WeakPolarHBondContact O-CD2 3.28Å; I68-Y72 PolarHBondContact O-N 3.23Å
69Y64.7Low67.7Low7 Ų773.6 Ų73.63%0.02738%0.38CS..Hα-helixtrans-74-36.6-179.3-55.7-53.7000114.3I65 Q66 E67 I74 I84 I87 W91 L174I65-Y69 HydrophobicContact CB-CE2 4.38Å; I65-Y69 HydrophobicContact CG2-CD2 4.22Å; I65-Y69 HydrophobicContact CG2-CE1 4.38Å; I65-Y69 HydrophobicContact CG2-CE2 3.2Å; I65-Y69 WeakPolarHBondContact CG2-OH 3.42Å; I65-Y69 WeakPolarHBondContact O-CD2 3.34Å; I65-Y69 VanDerWaalsContact O-CE2 3.29Å; I65-Y69 WeakPolarHBondContact O-CE2 3.44Å; I65-Y69 PolarHBondContact O-N 2.93Å; Q66-Y69 PolarHBondContact O-N 3.46Å; E67-Y69 VanDerWaalsContact C-N 3.3Å; E67-Y69 PolarHBondContact O-N 2.97Å; Y69-I74 HydrophobicContact CD1-CD1 3.71Å; Y69-I74 HydrophobicContact CE1-CD1 4.18Å; Y69-I84 HydrophobicContact CD1-CG2 4.26Å; Y69-I84 HydrophobicContact CE1-CB 4.42Å; Y69-I84 HydrophobicContact CE1-CG1 4.21Å; Y69-I84 HydrophobicContact CE1-CG2 3.49Å; Y69-I84 VanDerWaalsContact CE1-CG2 3.49Å; Y69-I87 WeakPolarHBondContact OH-CB 3.32Å; Y69-I87 VanDerWaalsContact OH-CD1 3.32Å; Y69-I87 WeakPolarHBondContact OH-CD1 3.46Å; Y69-I87 VanDerWaalsContact OH-CG2 3.3Å; Y69-I87 WeakPolarHBondContact OH-CG2 3.43Å; Y69-W91 HydrophobicContact CD2-CH2 4.39Å; Y69-W91 HydrophobicContact CD2-CZ2 4.4Å; Y69-W91 AromaticContact CE2-CH2 3.48Å; Y69-W91 HydrophobicContact CE2-CH2 3.48Å; Y69-W91 VanDerWaalsContact CE2-CH2 3.48Å; Y69-W91 AromaticContact CE2-CZ2 3.85Å; Y69-W91 HydrophobicContact CE2-CZ2 3.85Å; Y69-L174 HydrophobicContact CD1-CD2 3.95Å; Y69-L174 HydrophobicContact CG-CD2 4.23Å
70T63Low67.8Low27 Ų2768.4 Ų68.417%0.16634%0.344CS..Hα-helixtrans-66.9-35.9176.254.60000110.2Q66 E67Q66-T70 PolarHBondContact O-N 3.13Å; E67-T70 PolarHBondContact O-OG1 2.97Å; E67-T70 VanDerWaalsContact O-OG1 3.06Å
71T61.9Low68.2Low91 Ų9168.2 Ų68.256%0.55834%0.343SS*.Hα-helixtrans-80.2-40.1-177.2-52.20000113.6E67 I68E67-T71 VanDerWaalsContact O-CB 3.32Å; E67-T71 WeakPolarHBondContact O-CB 3.33Å; E67-T71 PolarHBondContact O-N 2.87Å; E67-T71 VanDerWaalsContact O-N 3.11Å; E67-T71 PolarHBondContact O-OG1 3.44Å; I68-T71 PolarHBondContact O-N 2.77Å
72Y60.9Low68.5Low81 Ų8164 Ų6432%0.31832%0.323SS..  trans-105.2126.3-172.3-71.5-95.2000112.6M1 T3 I68 I74M1-Y72 WeakPolarHBondContact O-CE2 3.4Å; M1-Y72 VanDerWaalsContact O-CZ 3.31Å; M1-Y72 PolarHBondContact O-OH 3.32Å; T3-Y72 HydrophobicContact CG2-CD1 4Å; T3-Y72 HydrophobicContact CG2-CG 4.33Å; I68-Y72 HydrophobicContact CG2-CD2 4.01Å; I68-Y72 WeakPolarHBondContact O-CB 3.49Å; I68-Y72 WeakPolarHBondContact O-CD2 3.28Å; I68-Y72 PolarHBondContact O-N 3.23Å; Y72-I74 VanDerWaalsContact C-N 3.28Å; Y72-I74 PolarHBondContact O-N 3.18Å
73K67.4Low69.1Low173 Ų17362.2 Ų62.275%0.75232%0.318SS*.  trans-77.279.2170.4-68.9-174.7-179.4-178.70110T75K73-T75 PolarHBondContact O-N 2.85Å
74I69.7Low69.7Low7 Ų756.7 Ų56.74%0.03629%0.288CS..  trans-67.2120.8169.9-62.9131.5000108.3Y69 Y72 D78 F81 I84 L174Y69-I74 HydrophobicContact CD1-CD1 3.71Å; Y69-I74 HydrophobicContact CE1-CD1 4.18Å; Y72-I74 VanDerWaalsContact C-N 3.28Å; Y72-I74 PolarHBondContact O-N 3.18Å; I74-D78 HydrophobicContact CG2-CB 4.19Å; I74-F81 HydrophobicContact CG2-CD2 4.02Å; I74-I84 HydrophobicContact CB-CD1 4.21Å; I74-I84 HydrophobicContact CD1-CD1 3.49Å; I74-I84 VanDerWaalsContact CD1-CD1 3.49Å; I74-I84 HydrophobicContact CG1-CD1 3.6Å; I74-I84 HydrophobicContact CG2-CD1 3.68Å; I74-L174 HydrophobicContact CB-CD1 4.3Å
75T71.3Confident70.5Confident63 Ų6352.7 Ų52.739%0.38727%0.27SS..  trans-102.3166.7177.165.90000110.5K73 D77 D78 F81K73-T75 PolarHBondContact O-N 2.85Å; T75-D77 PolarHBondContact O-N 3.03Å; T75-D78 WeakPolarHBondContact CA-OD2 3.26Å; T75-D78 WeakPolarHBondContact CB-OD2 3.03Å; T75-D78 PolarHBondContact N-OD2 3.14Å; T75-D78 WeakPolarHBondContact O-CB 3.19Å; T75-D78 PolarHBondContact O-N 3.01Å; T75-D78 PolarHBondContact OG1-OD2 2.86Å; T75-F81 VanDerWaalsContact O-CD2 3.23Å; T75-F81 WeakPolarHBondContact O-CD2 3.41Å
76E68.6Low71.4Confident77 Ų7752.7 Ų52.736%0.3627%0.27SS..THydrogen-bonded Turntrans-64.7-20.8177.2-65.3-171-166.200113.5D78 F81 K167E76-D78 VanDerWaalsContact C-N 3.3Å; E76-F81 HydrophobicContact CG-CE2 4.12Å; E76-F81 HydrophobicContact CG-CZ 4.04Å; E76-K167 WeakPolarHBondContact OE2-CD 3.36Å; E76-K167 IonicContact OE2-NZ 2.81Å; E76-K167 PolarHBondContact OE2-NZ 3.08Å
77D70.7Confident72.5Confident150 Ų15046 Ų4680%0.80224%0.239SC*.THydrogen-bonded Turntrans-84.1-7.4179.9-58.3-46.5000112.2T75T75-D77 PolarHBondContact O-N 3.03Å
78D70.2Confident73.5Confident45 Ų4540.2 Ų40.224%0.24121%0.211CC..SBendtrans-72.7131.5179.7-77-74.7000111.4I74 T75 E76 C80 F81I74-D78 HydrophobicContact CG2-CB 4.19Å; T75-D78 WeakPolarHBondContact CA-OD2 3.26Å; T75-D78 WeakPolarHBondContact CB-OD2 3.03Å; T75-D78 PolarHBondContact N-OD2 3.14Å; T75-D78 WeakPolarHBondContact O-CB 3.19Å; T75-D78 PolarHBondContact O-N 3.01Å; T75-D78 PolarHBondContact OG1-OD2 2.86Å; E76-D78 VanDerWaalsContact C-N 3.3Å; D78-C80 PolarHBondContact O-N 3.18Å; D78-F81 WeakPolarHBondContact O-CB 3.35Å; D78-F81 PolarHBondContact O-N 2.94Å
79P69.8Low74.9Confident97 Ų9740 Ų4063%0.6321%0.21SC*.THydrogen-bonded Turntrans-56-29.9-179.4-2733.7000114.2
80C74.9Confident76.1Confident7 Ų739.9 Ų39.95%0.04721%0.21CC..THydrogen-bonded Turntrans-88.11.8-18061.80000113.9D78 S82 S83 I84D78-C80 PolarHBondContact O-N 3.18Å; C80-S82 VanDerWaalsContact C-N 3.33Å; C80-S82 PolarHBondContact O-N 3.23Å; C80-S83 PolarHBondContact O-N 3.11Å; C80-I84 HydrophobicContact CB-CD1 4.13Å; C80-I84 WeakPolarHBondContact O-CB 3.47Å; C80-I84 WeakPolarHBondContact O-CD1 3.21Å; C80-I84 WeakPolarHBondContact O-CG1 3.39Å; C80-I84 PolarHBondContact O-N 2.57Å; C80-I84 WeakPolarHBondContact SG-CD1 3.49Å
81F79Confident77.2Confident1 Ų143.8 Ų43.80%0.00422%0.222CC..Hα-helixtrans-54.3-47.6-177-177.9-96.2000112.2I74 T75 E76 D78 I84 S85 K167 I170 L231I74-F81 HydrophobicContact CG2-CD2 4.02Å; T75-F81 VanDerWaalsContact O-CD2 3.23Å; T75-F81 WeakPolarHBondContact O-CD2 3.41Å; E76-F81 HydrophobicContact CG-CE2 4.12Å; E76-F81 HydrophobicContact CG-CZ 4.04Å; D78-F81 WeakPolarHBondContact O-CB 3.35Å; D78-F81 PolarHBondContact O-N 2.94Å; F81-I84 PolarHBondContact O-N 3.15Å; F81-S85 PolarHBondContact O-N 3.19Å; F81-K167 HydrophobicContact CE1-CG 3.76Å; F81-K167 HydrophobicContact CZ-CB 4.46Å; F81-K167 HydrophobicContact CZ-CG 4.09Å; F81-I170 HydrophobicContact CE1-CD1 3.77Å; F81-I170 HydrophobicContact CE2-CB 4.35Å; F81-I170 HydrophobicContact CE2-CG2 3.62Å; F81-I170 HydrophobicContact CZ-CB 3.95Å; F81-I170 HydrophobicContact CZ-CD1 3.74Å; F81-I170 HydrophobicContact CZ-CG1 4.48Å; F81-I170 HydrophobicContact CZ-CG2 3.72Å; F81-L231 HydrophobicContact CD1-CD1 4.04Å; F81-L231 HydrophobicContact CE1-CD1 3.85Å
82S78.7Confident78.6Confident1 Ų140.5 Ų40.51%0.00720%0.201CC..Hα-helixtrans-64.2-41.9177.1-164.40000111.7C80 I84 S85 N228C80-S82 VanDerWaalsContact C-N 3.33Å; C80-S82 PolarHBondContact O-N 3.23Å; S82-I84 PolarHBondContact O-N 2.67Å; S82-S85 VanDerWaalsContact O-CB 3.26Å; S82-S85 WeakPolarHBondContact O-CB 3.14Å; S82-S85 PolarHBondContact O-N 2.94Å; S82-S85 VanDerWaalsContact O-N 3.16Å; S82-S85 PolarHBondContact O-OG 3.06Å; S82-N228 WeakPolarHBondContact CB-O 3.5Å; S82-N228 PolarHBondContact OG-O 2.85Å
83S80.1Confident80.1Confident9 Ų938.3 Ų38.36%0.06319%0.193CC..Hα-helixtrans-67.9-36.7-179.2-510000113.2F10 C80 S85 Y86F10-S83 WeakPolarHBondContact CZ-O 3.36Å; C80-S83 PolarHBondContact O-N 3.11Å; S83-S85 PolarHBondContact O-N 3.48Å; S83-Y86 WeakPolarHBondContact O-CB 3.46Å; S83-Y86 PolarHBondContact O-N 2.78Å
84I81.3Confident81.3Confident0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-62.5-33.7174-74.7160.6000111.3Y69 I74 C80 F81 S82 Y86 I87 I88Y69-I84 HydrophobicContact CD1-CG2 4.26Å; Y69-I84 HydrophobicContact CE1-CB 4.42Å; Y69-I84 HydrophobicContact CE1-CG1 4.21Å; Y69-I84 HydrophobicContact CE1-CG2 3.49Å; Y69-I84 VanDerWaalsContact CE1-CG2 3.49Å; I74-I84 HydrophobicContact CB-CD1 4.21Å; I74-I84 HydrophobicContact CD1-CD1 3.49Å; I74-I84 VanDerWaalsContact CD1-CD1 3.49Å; I74-I84 HydrophobicContact CG1-CD1 3.6Å; I74-I84 HydrophobicContact CG2-CD1 3.68Å; C80-I84 HydrophobicContact CB-CD1 4.13Å; C80-I84 WeakPolarHBondContact O-CB 3.47Å; C80-I84 WeakPolarHBondContact O-CD1 3.21Å; C80-I84 WeakPolarHBondContact O-CG1 3.39Å; C80-I84 PolarHBondContact O-N 2.57Å; C80-I84 WeakPolarHBondContact SG-CD1 3.49Å; F81-I84 PolarHBondContact O-N 3.15Å; S82-I84 PolarHBondContact O-N 2.67Å; I84-Y86 PolarHBondContact O-N 2.75Å; I84-I87 PolarHBondContact O-N 2.94Å; I84-I88 HydrophobicContact CG2-CD1 3.76Å; I84-I88 HydrophobicContact CG2-CG1 4.13Å; I84-I88 WeakPolarHBondContact O-CG1 3.05Å; I84-I88 PolarHBondContact O-N 3.14Å
85S86.9Confident82.5Confident0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-56.5-35176.483.40000112.6F81 S82 S83 I88 A89F81-S85 PolarHBondContact O-N 3.19Å; S82-S85 VanDerWaalsContact O-CB 3.26Å; S82-S85 WeakPolarHBondContact O-CB 3.14Å; S82-S85 PolarHBondContact O-N 2.94Å; S82-S85 VanDerWaalsContact O-N 3.16Å; S82-S85 PolarHBondContact O-OG 3.06Å; S83-S85 PolarHBondContact O-N 3.48Å; S85-I88 PolarHBondContact O-N 3.46Å; S85-A89 WeakPolarHBondContact O-CB 3.44Å; S85-A89 PolarHBondContact O-N 3.32Å
86Y88.8Confident83.6Confident1 Ų130.1 Ų30.10%0.00415%0.153CC..Hα-helixtrans-67.9-36.3176.4-60.5-47.4000113.2F10 I19 M23 F47 S83 I84 S90 L99 W227F10-Y86 HydrophobicContact CE1-CD2 4.24Å; I19-Y86 HydrophobicContact CD1-CD2 4.35Å; I19-Y86 HydrophobicContact CG2-CD1 4.4Å; I19-Y86 HydrophobicContact CG2-CD2 4.32Å; I19-Y86 HydrophobicContact CG2-CE1 4.4Å; I19-Y86 HydrophobicContact CG2-CE2 4.3Å; I19-Y86 HydrophobicContact CG2-CG 4.37Å; M23-Y86 HydrophobicContact CE-CE1 3.95Å; M23-Y86 HydrophobicContact SD-CD1 4.34Å; M23-Y86 HydrophobicContact SD-CE1 3.61Å; F47-Y86 WeakPolarHBondContact CE1-O 3.38Å; S83-Y86 WeakPolarHBondContact O-CB 3.46Å; S83-Y86 PolarHBondContact O-N 2.78Å; I84-Y86 PolarHBondContact O-N 2.75Å; Y86-S90 PolarHBondContact O-N 3.13Å; Y86-L99 HydrophobicContact CD1-CD1 4.08Å; Y86-L99 HydrophobicContact CE1-CD1 4.34Å; Y86-W227 WeakPolarHBondContact OH-CB 3.45Å; Y86-W227 PolarHBondContact OH-O 3.39Å
87I85.9Confident84.9Confident0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-70.6-45.8176.9-45.3-179.8000109.2L6 F10 M51 L55 I65 Y69 I84 A89 S90 W91L6-I87 HydrophobicContact CD2-CD1 3.69Å; F10-I87 HydrophobicContact CE2-CD1 3.64Å; F10-I87 HydrophobicContact CE2-CG1 4.02Å; F10-I87 HydrophobicContact CZ-CD1 3.66Å; F10-I87 HydrophobicContact CZ-CG1 3.51Å; M51-I87 HydrophobicContact CE-CG1 4.41Å; L55-I87 HydrophobicContact CD1-CG2 4.2Å; I65-I87 HydrophobicContact CD1-CD1 4.45Å; I65-I87 HydrophobicContact CD1-CG2 4.03Å; I65-I87 HydrophobicContact CG2-CD1 4.12Å; I65-I87 HydrophobicContact CG2-CG2 3.63Å; Y69-I87 WeakPolarHBondContact OH-CB 3.32Å; Y69-I87 VanDerWaalsContact OH-CD1 3.32Å; Y69-I87 WeakPolarHBondContact OH-CD1 3.46Å; Y69-I87 VanDerWaalsContact OH-CG2 3.3Å; Y69-I87 WeakPolarHBondContact OH-CG2 3.43Å; I84-I87 PolarHBondContact O-N 2.94Å; I87-A89 VanDerWaalsContact C-N 3.25Å; I87-A89 PolarHBondContact O-N 2.89Å; I87-S90 WeakPolarHBondContact O-CB 3.39Å; I87-S90 PolarHBondContact O-N 3.41Å; I87-S90 PolarHBondContact O-OG 2.95Å; I87-W91 HydrophobicContact CB-CH2 4.2Å; I87-W91 HydrophobicContact CB-CZ3 4.39Å; I87-W91 HydrophobicContact CG2-CH2 3.54Å; I87-W91 HydrophobicContact CG2-CZ3 3.42Å; I87-W91 VanDerWaalsContact CG2-CZ3 3.42Å; I87-W91 VanDerWaalsContact O-CE3 3.25Å; I87-W91 WeakPolarHBondContact O-CH2 3.25Å; I87-W91 WeakPolarHBondContact O-CZ3 3.27Å
88I86.8Confident86.1Confident3 Ų320.2 Ų20.22%0.01510%0.102CC..Hα-helixtrans-59.4-40.9176.6-58.3172.8000110.9I84 S85 S90 W91 N92 L95 I170 E173 L174I84-I88 HydrophobicContact CG2-CD1 3.76Å; I84-I88 HydrophobicContact CG2-CG1 4.13Å; I84-I88 WeakPolarHBondContact O-CG1 3.05Å; I84-I88 PolarHBondContact O-N 3.14Å; S85-I88 PolarHBondContact O-N 3.46Å; I88-S90 PolarHBondContact O-N 3.47Å; I88-W91 VanDerWaalsContact CA-CZ2 3.42Å; I88-W91 HydrophobicContact CB-CZ2 4.03Å; I88-W91 HydrophobicContact CG1-CH2 4.35Å; I88-W91 HydrophobicContact CG1-CZ2 3.82Å; I88-W91 HydrophobicContact CG2-CZ2 4.28Å; I88-W91 PolarHBondContact O-N 2.86Å; I88-W91 VanDerWaalsContact O-N 3.14Å; I88-N92 HydrophobicContact CG2-CB 4.1Å; I88-N92 VanDerWaalsContact O-CB 3.28Å; I88-N92 WeakPolarHBondContact O-CB 3.26Å; I88-N92 PolarHBondContact O-N 3.08Å; I88-L95 HydrophobicContact CB-CD2 3.61Å; I88-L95 HydrophobicContact CG2-CD2 3.44Å; I88-L95 VanDerWaalsContact CG2-CD2 3.44Å; I88-I170 HydrophobicContact CD1-CG2 4.06Å; I88-E173 HydrophobicContact CG2-CB 4.14Å; I88-E173 HydrophobicContact CG2-CG 4.24Å; I88-L174 HydrophobicContact CD1-CD2 4.11Å; I88-L174 HydrophobicContact CD1-CG 4.35Å
89A91.7Very high87.2Confident0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-59.8-24.4174.800000113.3H44 F47 S85 I87 W91 L95 F96 L99H44-A89 PolarHBondContact CD2-O 2.92Å; H44-A89 PolarHBondContact NE2-O 3.49Å; F47-A89 HydrophobicContact CE1-CB 4.03Å; S85-A89 WeakPolarHBondContact O-CB 3.44Å; S85-A89 PolarHBondContact O-N 3.32Å; I87-A89 VanDerWaalsContact C-N 3.25Å; I87-A89 PolarHBondContact O-N 2.89Å; A89-W91 PolarHBondContact O-N 3.36Å; A89-L95 HydrophobicContact CB-CG 4.38Å; A89-F96 HydrophobicContact CB-CB 3.92Å; A89-F96 HydrophobicContact CB-CD2 4.37Å; A89-L99 HydrophobicContact CB-CD1 3.78Å
90S89.7Confident88.5Confident4 Ų413.5 Ų13.53%0.0286%0.061CC..THydrogen-bonded Turntrans-66.7-16.2176.479.40000114.4S48 Y62 Y86 I87 I88S48-S90 WeakPolarHBondContact CB-O 3.44Å; S48-S90 PolarHBondContact OG-O 2.59Å; Y62-S90 PolarHBondContact OH-OG 2.96Å; Y86-S90 PolarHBondContact O-N 3.13Å; I87-S90 WeakPolarHBondContact O-CB 3.39Å; I87-S90 PolarHBondContact O-N 3.41Å; I87-S90 PolarHBondContact O-OG 2.95Å; I88-S90 PolarHBondContact O-N 3.47Å
91W87.4Confident89.4Confident110 Ų11013.4 Ų13.442%0.4176%0.06SC..THydrogen-bonded Turntrans-125.9-15.4171.658.479.8000113.4Y69 I87 I88 A89Y69-W91 HydrophobicContact CD2-CH2 4.39Å; Y69-W91 HydrophobicContact CD2-CZ2 4.4Å; Y69-W91 AromaticContact CE2-CH2 3.48Å; Y69-W91 HydrophobicContact CE2-CH2 3.48Å; Y69-W91 VanDerWaalsContact CE2-CH2 3.48Å; Y69-W91 AromaticContact CE2-CZ2 3.85Å; Y69-W91 HydrophobicContact CE2-CZ2 3.85Å; I87-W91 HydrophobicContact CB-CH2 4.2Å; I87-W91 HydrophobicContact CB-CZ3 4.39Å; I87-W91 HydrophobicContact CG2-CH2 3.54Å; I87-W91 HydrophobicContact CG2-CZ3 3.42Å; I87-W91 VanDerWaalsContact CG2-CZ3 3.42Å; I87-W91 VanDerWaalsContact O-CE3 3.25Å; I87-W91 WeakPolarHBondContact O-CH2 3.25Å; I87-W91 WeakPolarHBondContact O-CZ3 3.27Å; I88-W91 VanDerWaalsContact CA-CZ2 3.42Å; I88-W91 HydrophobicContact CB-CZ2 4.03Å; I88-W91 HydrophobicContact CG1-CH2 4.35Å; I88-W91 HydrophobicContact CG1-CZ2 3.82Å; I88-W91 HydrophobicContact CG2-CZ2 4.28Å; I88-W91 PolarHBondContact O-N 2.86Å; I88-W91 VanDerWaalsContact O-N 3.14Å; A89-W91 PolarHBondContact O-N 3.36Å
92N90.1Very high90.2Very high22 Ų2213.4 Ų13.412%0.1186%0.06CC..  trans-103.599.5177.3-170-42.7000110.5I88 E94 L95 F96 E173I88-N92 HydrophobicContact CG2-CB 4.1Å; I88-N92 VanDerWaalsContact O-CB 3.28Å; I88-N92 WeakPolarHBondContact O-CB 3.26Å; I88-N92 PolarHBondContact O-N 3.08Å; N92-E94 VanDerWaalsContact C-N 3.34Å; N92-E94 PolarHBondContact O-N 2.95Å; N92-E94 PolarHBondContact OD1-N 3.4Å; N92-E94 VanDerWaalsContact OD1-N 3.13Å; N92-L95 HydrophobicContact CB-CB 4.07Å; N92-L95 PolarHBondContact O-N 3.39Å; N92-L95 PolarHBondContact OD1-N 3.2Å; N92-F96 WeakPolarHBondContact O-CB 3.43Å; N92-F96 PolarHBondContact O-N 3.24Å; N92-E173 VanDerWaalsContact ND2-CG 3.32Å; N92-E173 WeakPolarHBondContact ND2-CG 3.47Å; N92-E173 PolarHBondContact ND2-OE1 2.97Å; N92-E173 PolarHBondContact ND2-OE2 3.08Å; N92-E173 VanDerWaalsContact ND2-OE2 3.14Å
93F93.9Very high90.9Very high34 Ų3413.3 Ų13.315%0.1496%0.06CC..Hα-helixtrans-60.1-39.1179.6176.2-102.2000113.2I36 H40 Y41 H44 F96 Y97I36-F93 HydrophobicContact CD1-CE1 4.38Å; I36-F93 HydrophobicContact CG2-CE1 4.24Å; I36-F93 HydrophobicContact CG2-CZ 4.13Å; H40-F93 HydrophobicContact CB-CE2 4.13Å; H40-F93 HydrophobicContact CB-CZ 3.93Å; Y41-F93 HydrophobicContact CD1-CD1 4.36Å; Y41-F93 AromaticContact CD1-CD2 3.84Å; Y41-F93 HydrophobicContact CD1-CD2 3.84Å; Y41-F93 HydrophobicContact CD1-CE1 4.19Å; Y41-F93 AromaticContact CD1-CE2 3.67Å; Y41-F93 HydrophobicContact CD1-CE2 3.67Å; Y41-F93 HydrophobicContact CD1-CG 4.18Å; Y41-F93 AromaticContact CD1-CZ 3.85Å; Y41-F93 HydrophobicContact CD1-CZ 3.85Å; Y41-F93 AromaticContact CE1-CD1 3.7Å; Y41-F93 HydrophobicContact CE1-CD1 3.7Å; Y41-F93 HydrophobicContact CE1-CD2 4.03Å; Y41-F93 AromaticContact CE1-CE1 3.55Å; Y41-F93 HydrophobicContact CE1-CE1 3.55Å; Y41-F93 AromaticContact CE1-CE2 3.9Å; Y41-F93 HydrophobicContact CE1-CE2 3.9Å; Y41-F93 AromaticContact CE1-CG 3.93Å; Y41-F93 HydrophobicContact CE1-CG 3.93Å; Y41-F93 AromaticContact CE1-CZ 3.65Å; Y41-F93 HydrophobicContact CE1-CZ 3.65Å; Y41-F93 HydrophobicContact CE2-CZ 4.45Å; Y41-F93 HydrophobicContact CG-CE2 4.21Å; Y41-F93 HydrophobicContact CG-CZ 4.33Å; Y41-F93 AromaticContact CZ-CE1 3.83Å; Y41-F93 AromaticContact CZ-CZ 3.98Å; H44-F93 HydrophobicContact CB-CD2 3.66Å; H44-F93 HydrophobicContact CB-CE2 3.99Å; H44-F93 AromaticContact CG-CD2 3.64Å; H44-F93 AromaticContact ND1-CD2 3.69Å; F93-F96 HydrophobicContact CD2-CD1 4.42Å; F93-F96 WeakPolarHBondContact O-CB 3.35Å; F93-F96 PolarHBondContact O-N 3.3Å; F93-Y97 HydrophobicContact CE1-CD2 4.34Å; F93-Y97 AromaticContact CZ-CD2 3.97Å; F93-Y97 HydrophobicContact CZ-CD2 3.97Å; F93-Y97 WeakPolarHBondContact O-CB 3.18Å; F93-Y97 PolarHBondContact O-N 3.18Å
94E92.9Very high91.5Very high69 Ų6913.1 Ų13.132%0.3226%0.058SC..Hα-helixtrans-64.7-44.6-179.7175.161.8-158.100110.8K34 N92 F96 Y97 Q98K34-E94 IonicContact NZ-OE1 3.83Å; K34-E94 PolarHBondContact NZ-OE1 2.96Å; K34-E94 IonicContact NZ-OE2 3.72Å; N92-E94 VanDerWaalsContact C-N 3.34Å; N92-E94 PolarHBondContact O-N 2.95Å; N92-E94 PolarHBondContact OD1-N 3.4Å; N92-E94 VanDerWaalsContact OD1-N 3.13Å; E94-F96 VanDerWaalsContact C-N 3.35Å; E94-Y97 PolarHBondContact O-N 2.71Å; E94-Q98 VanDerWaalsContact O-CG 3.27Å; E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 3.2Å; E94-Q98 PolarHBondContact OE1-NE2 3.37Å
95L93.1Very high92.1Very high0 Ų013.3 Ų13.30%06%0.059CC..Hα-helixtrans-63.8-42.2175.2-179.961.5000111.4I88 A89 N92 Y97 Q98 L99 I166 T169 I170I88-L95 HydrophobicContact CB-CD2 3.61Å; I88-L95 HydrophobicContact CG2-CD2 3.44Å; I88-L95 VanDerWaalsContact CG2-CD2 3.44Å; A89-L95 HydrophobicContact CB-CG 4.38Å; N92-L95 HydrophobicContact CB-CB 4.07Å; N92-L95 PolarHBondContact O-N 3.39Å; N92-L95 PolarHBondContact OD1-N 3.2Å; L95-Y97 PolarHBondContact O-N 3.45Å; L95-Q98 PolarHBondContact O-N 3.27Å; L95-L99 HydrophobicContact CD1-CG 4.42Å; L95-L99 HydrophobicContact CG-CD1 4.26Å; L95-L99 WeakPolarHBondContact O-CG 3.47Å; L95-L99 PolarHBondContact O-N 3.4Å; L95-I166 HydrophobicContact CD1-CG2 3.81Å; L95-T169 HydrophobicContact CB-CG2 4.1Å; L95-T169 HydrophobicContact CD1-CG2 4.13Å; L95-I170 HydrophobicContact CD1-CD1 4.41Å; L95-I170 HydrophobicContact CD1-CG1 3.89Å; L95-I170 HydrophobicContact CD2-CG1 3.93Å
96F95.3Very high92.3Very high2 Ų214 Ų141%0.0096%0.063CC..Hα-helixtrans-57.7-48.2174.8173.6-104.2000111.9F22 F30 T43 H44 F47 A89 N92 F93 E94 Q98 L99 M100F22-F96 HydrophobicContact CE1-CE2 4.42Å; F22-F96 HydrophobicContact CE1-CZ 4.32Å; F30-F96 HydrophobicContact CE1-CD1 4.28Å; F30-F96 AromaticContact CE1-CE1 3.85Å; F30-F96 HydrophobicContact CE1-CE1 3.85Å; F30-F96 HydrophobicContact CZ-CD1 4.45Å; F30-F96 AromaticContact CZ-CE1 3.59Å; F30-F96 HydrophobicContact CZ-CE1 3.59Å; F30-F96 HydrophobicContact CZ-CZ 4.16Å; T43-F96 HydrophobicContact CG2-CE1 4.5Å; T43-F96 HydrophobicContact CG2-CZ 4.06Å; H44-F96 VanDerWaalsContact CA-CE1 3.48Å; H44-F96 HydrophobicContact CB-CD1 3.62Å; H44-F96 HydrophobicContact CB-CE1 3.6Å; H44-F96 HydrophobicContact CB-CG 4.41Å; H44-F96 HydrophobicContact CB-CZ 4.4Å; H44-F96 AromaticContact CD2-CD1 3.48Å; H44-F96 VanDerWaalsContact CD2-CD1 3.48Å; H44-F96 WeakPolarHBondContact CD2-CD1 3.24Å; H44-F96 AromaticContact CD2-CD2 3.95Å; H44-F96 AromaticContact CD2-CG 3.38Å; H44-F96 WeakPolarHBondContact CD2-CG 3.39Å; H44-F96 AromaticContact CG-CD1 3.82Å; F47-F96 HydrophobicContact CB-CD2 4.32Å; F47-F96 HydrophobicContact CB-CE2 3.56Å; F47-F96 HydrophobicContact CB-CZ 3.95Å; F47-F96 AromaticContact CD1-CD2 3.57Å; F47-F96 HydrophobicContact CD1-CD2 3.57Å; F47-F96 AromaticContact CD1-CE2 3.61Å; F47-F96 HydrophobicContact CD1-CE2 3.61Å; F47-F96 AromaticContact CD2-CE2 3.89Å; F47-F96 HydrophobicContact CD2-CE2 3.89Å; F47-F96 AromaticContact CE1-CD2 3.97Å; F47-F96 HydrophobicContact CE1-CD2 3.97Å; F47-F96 HydrophobicContact CE1-CE2 4.26Å; F47-F96 HydrophobicContact CE2-CE2 4.5Å; F47-F96 AromaticContact CG-CD2 3.89Å; F47-F96 HydrophobicContact CG-CD2 3.89Å; F47-F96 AromaticContact CG-CE2 3.39Å; F47-F96 HydrophobicContact CG-CE2 3.39Å; F47-F96 HydrophobicContact CG-CZ 4.27Å; A89-F96 HydrophobicContact CB-CB 3.92Å; A89-F96 HydrophobicContact CB-CD2 4.37Å; N92-F96 WeakPolarHBondContact O-CB 3.43Å; N92-F96 PolarHBondContact O-N 3.24Å; F93-F96 HydrophobicContact CD2-CD1 4.42Å; F93-F96 WeakPolarHBondContact O-CB 3.35Å; F93-F96 PolarHBondContact O-N 3.3Å; E94-F96 VanDerWaalsContact C-N 3.35Å; F96-Q98 VanDerWaalsContact C-N 3.33Å; F96-Q98 PolarHBondContact O-N 3.01Å; F96-L99 PolarHBondContact O-N 3.46Å; F96-M100 HydrophobicContact CD1-CG 4.31Å; F96-M100 HydrophobicContact CD2-CG 4.09Å; F96-M100 HydrophobicContact CE1-CG 3.89Å; F96-M100 HydrophobicContact CE2-CG 3.61Å; F96-M100 HydrophobicContact CE2-SD 3.96Å; F96-M100 HydrophobicContact CG-CG 4.41Å; F96-M100 HydrophobicContact CZ-CE 4.36Å; F96-M100 HydrophobicContact CZ-CG 3.5Å; F96-M100 HydrophobicContact CZ-SD 4.05Å; F96-M100 WeakPolarHBondContact O-CG 3.44Å; F96-M100 PolarHBondContact O-N 3.35Å
97Y95.9Very high92.3Very high1 Ų114 Ų140%0.0046%0.063CC..Hα-helixtrans-57.6-47.9177.6-166.1-77.1000110.6F30 T31 K34 I36 H40 F93 E94 L95 L99 M100 T101F30-Y97 HydrophobicContact CD1-CD1 4.39Å; F30-Y97 AromaticContact CD1-CD2 3.55Å; F30-Y97 HydrophobicContact CD1-CD2 3.55Å; F30-Y97 AromaticContact CD1-CE2 3.68Å; F30-Y97 HydrophobicContact CD1-CE2 3.68Å; F30-Y97 AromaticContact CD1-CG 3.92Å; F30-Y97 HydrophobicContact CD1-CG 3.92Å; F30-Y97 AromaticContact CE1-CD2 3.72Å; F30-Y97 HydrophobicContact CE1-CD2 3.72Å; F30-Y97 HydrophobicContact CE1-CE2 4.11Å; F30-Y97 HydrophobicContact CE1-CG 4.3Å; T31-Y97 PolarHBondContact O-OH 3.41Å; K34-Y97 WeakPolarHBondContact CA-OH 3.32Å; K34-Y97 HydrophobicContact CG-CE1 3.9Å; I36-Y97 HydrophobicContact CG1-CE2 4.03Å; H40-Y97 HydrophobicContact CB-CE2 4.46Å; H40-Y97 AromaticContact CD2-CE2 3.61Å; H40-Y97 AromaticContact CG-CE2 3.95Å; H40-Y97 AromaticContact NE2-CE2 3.93Å; F93-Y97 HydrophobicContact CE1-CD2 4.34Å; F93-Y97 AromaticContact CZ-CD2 3.97Å; F93-Y97 HydrophobicContact CZ-CD2 3.97Å; F93-Y97 WeakPolarHBondContact O-CB 3.18Å; F93-Y97 PolarHBondContact O-N 3.18Å; E94-Y97 PolarHBondContact O-N 2.71Å; L95-Y97 PolarHBondContact O-N 3.45Å; Y97-L99 PolarHBondContact O-N 3.16Å; Y97-M100 PolarHBondContact O-N 3.21Å; Y97-T101 WeakPolarHBondContact CE1-OG1 3.18Å; Y97-T101 PolarHBondContact O-N 3.04Å; Y97-T101 PolarHBondContact O-OG1 3.37Å
98Q95Very high92.5Very high18 Ų1814.1 Ų14.18%0.0846%0.063CC..Hα-helixtrans-59.2-43.4178.2-68.8172.74.600112.4E94 L95 F96 L102 I166 T169E94-Q98 VanDerWaalsContact O-CG 3.27Å; E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 3.2Å; E94-Q98 PolarHBondContact OE1-NE2 3.37Å; L95-Q98 PolarHBondContact O-N 3.27Å; F96-Q98 VanDerWaalsContact C-N 3.33Å; F96-Q98 PolarHBondContact O-N 3.01Å; Q98-L102 WeakPolarHBondContact O-CB 3.27Å; Q98-L102 PolarHBondContact O-N 3.1Å; Q98-I166 HydrophobicContact CB-CD1 4.05Å; Q98-I166 HydrophobicContact CB-CG1 3.59Å; Q98-I166 HydrophobicContact CG-CG1 4.46Å; Q98-T169 PolarHBondContact NE2-OG1 3.2Å; Q98-T169 PolarHBondContact OE1-OG1 3.35Å
99L94.8Very high92.7Very high2 Ų214.1 Ų14.11%0.016%0.063CC..Hα-helixtrans-65.5-42.4177.3-74172.8000112.2M23 Y86 A89 L95 F96 Y97 L102 V103 I166 L231M23-L99 HydrophobicContact CE-CB 4.08Å; Y86-L99 HydrophobicContact CD1-CD1 4.08Å; Y86-L99 HydrophobicContact CE1-CD1 4.34Å; A89-L99 HydrophobicContact CB-CD1 3.78Å; L95-L99 HydrophobicContact CD1-CG 4.42Å; L95-L99 HydrophobicContact CG-CD1 4.26Å; L95-L99 WeakPolarHBondContact O-CG 3.47Å; L95-L99 PolarHBondContact O-N 3.4Å; F96-L99 PolarHBondContact O-N 3.46Å; Y97-L99 PolarHBondContact O-N 3.16Å; L99-L102 WeakPolarHBondContact O-CB 3.47Å; L99-L102 PolarHBondContact O-N 2.98Å; L99-V103 PolarHBondContact O-N 3.43Å; L99-I166 HydrophobicContact CD2-CD1 4.29Å; L99-I166 HydrophobicContact CD2-CG2 4.13Å; L99-L231 HydrophobicContact CD2-CD2 4.37Å
100M95.8Very high92.5Very high0 Ų016.4 Ų16.40%07%0.074CC..Hα-helixtrans-66.3-40.7178.3-70.2-61.2-77.600111.9M23 H26 C27 F30 F96 Y97 L102 V103 N104M23-M100 HydrophobicContact CB-SD 4.22Å; M23-M100 HydrophobicContact CE-SD 3.85Å; M23-M100 HydrophobicContact CG-SD 3.98Å; H26-M100 HydrophobicContact CB-CE 3.64Å; C27-M100 HydrophobicContact CB-CE 4.16Å; C27-M100 VanDerWaalsContact N-CE 3.33Å; F30-M100 HydrophobicContact CB-CB 3.86Å; F30-M100 HydrophobicContact CD1-CB 3.53Å; F30-M100 HydrophobicContact CD1-CG 4.28Å; F30-M100 HydrophobicContact CD2-CB 3.57Å; F30-M100 HydrophobicContact CD2-CE 3.97Å; F30-M100 HydrophobicContact CD2-CG 4.18Å; F30-M100 HydrophobicContact CE1-CB 3.91Å; F30-M100 HydrophobicContact CE1-CG 4.15Å; F30-M100 HydrophobicContact CE2-CB 3.96Å; F30-M100 HydrophobicContact CE2-CE 3.71Å; F30-M100 HydrophobicContact CE2-CG 4.06Å; F30-M100 HydrophobicContact CG-CB 3.35Å; F30-M100 HydrophobicContact CG-CG 4.31Å; F30-M100 HydrophobicContact CZ-CB 4.13Å; F30-M100 HydrophobicContact CZ-CE 4.45Å; F30-M100 HydrophobicContact CZ-CG 4.06Å; F96-M100 HydrophobicContact CD1-CG 4.31Å; F96-M100 HydrophobicContact CD2-CG 4.09Å; F96-M100 HydrophobicContact CE1-CG 3.89Å; F96-M100 HydrophobicContact CE2-CG 3.61Å; F96-M100 HydrophobicContact CE2-SD 3.96Å; F96-M100 HydrophobicContact CG-CG 4.41Å; F96-M100 HydrophobicContact CZ-CE 4.36Å; F96-M100 HydrophobicContact CZ-CG 3.5Å; F96-M100 HydrophobicContact CZ-SD 4.05Å; F96-M100 WeakPolarHBondContact O-CG 3.44Å; F96-M100 PolarHBondContact O-N 3.35Å; Y97-M100 PolarHBondContact O-N 3.21Å; M100-L102 VanDerWaalsContact C-N 3.31Å; M100-L102 PolarHBondContact O-N 3.23Å; M100-V103 PolarHBondContact O-N 3.32Å; M100-N104 PolarHBondContact O-N 3.39Å
101T95.3Very high92.3Very high5 Ų516.3 Ų16.33%0.0317%0.073CC..Hα-helixtrans-63.1-39.8171.9-48.80000110.7Y97 N104 V105 M162Y97-T101 WeakPolarHBondContact CE1-OG1 3.18Å; Y97-T101 PolarHBondContact O-N 3.04Å; Y97-T101 PolarHBondContact O-OG1 3.37Å; T101-N104 PolarHBondContact O-N 3.12Å; T101-V105 WeakPolarHBondContact O-CG2 3.41Å; T101-V105 PolarHBondContact O-N 3.33Å; T101-M162 VanDerWaalsContact C-CE 3.49Å; T101-M162 VanDerWaalsContact CB-CE 3.49Å; T101-M162 HydrophobicContact CG2-CE 3.49Å; T101-M162 VanDerWaalsContact CG2-CE 3.49Å; T101-M162 HydrophobicContact CG2-SD 4.34Å
102L94.8Very high92.2Very high0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-63.3-43.6179.9-17964.8000110.9Q98 L99 M100 N104 V105 D106 K159 M162 V163 I166 I230 L231Q98-L102 WeakPolarHBondContact O-CB 3.27Å; Q98-L102 PolarHBondContact O-N 3.1Å; L99-L102 WeakPolarHBondContact O-CB 3.47Å; L99-L102 PolarHBondContact O-N 2.98Å; M100-L102 VanDerWaalsContact C-N 3.31Å; M100-L102 PolarHBondContact O-N 3.23Å; L102-N104 VanDerWaalsContact C-N 3.35Å; L102-N104 PolarHBondContact O-N 2.85Å; L102-V105 PolarHBondContact O-N 2.89Å; L102-D106 WeakPolarHBondContact O-CB 3.36Å; L102-D106 PolarHBondContact O-N 3.36Å; L102-K159 HydrophobicContact CD1-CB 4.46Å; L102-K159 HydrophobicContact CD1-CG 3.88Å; L102-M162 VanDerWaalsContact CA-CE 3.5Å; L102-M162 HydrophobicContact CB-CE 3.9Å; L102-M162 HydrophobicContact CD1-CB 3.99Å; L102-M162 HydrophobicContact CD1-CE 4.49Å; L102-V163 HydrophobicContact CD1-CG2 3.88Å; L102-V163 HydrophobicContact CD2-CG2 3.78Å; L102-I166 HydrophobicContact CB-CD1 3.97Å; L102-I166 HydrophobicContact CD2-CD1 3.61Å; L102-I166 HydrophobicContact CG-CD1 4.32Å; L102-I230 HydrophobicContact CB-CD1 4.21Å; L102-I230 HydrophobicContact CD2-CB 4.46Å; L102-I230 HydrophobicContact CD2-CD1 3.64Å; L102-I230 HydrophobicContact CD2-CG1 3.74Å; L102-I230 HydrophobicContact CD2-CG2 4.07Å; L102-I230 HydrophobicContact CG-CD1 3.52Å; L102-I230 HydrophobicContact CG-CG1 3.95Å; L102-L231 HydrophobicContact CD2-CD2 3.74Å
103V93.9Very high92Very high0 Ų012.8 Ų12.80%06%0.061CC..Hα-helixtrans-59.9-44.5173.8165.50000111.4M23 C27 L99 M100 V105 D106 L107 W227 I230M23-V103 HydrophobicContact CB-CG1 4.14Å; M23-V103 HydrophobicContact CB-CG2 4.32Å; M23-V103 HydrophobicContact CE-CB 4.28Å; M23-V103 HydrophobicContact CE-CG2 3.33Å; M23-V103 HydrophobicContact SD-CG2 3.92Å; C27-V103 HydrophobicContact CB-CB 4.16Å; C27-V103 HydrophobicContact CB-CG1 3.68Å; L99-V103 PolarHBondContact O-N 3.43Å; M100-V103 PolarHBondContact O-N 3.32Å; V103-V105 VanDerWaalsContact C-N 3.34Å; V103-V105 PolarHBondContact O-N 3.48Å; V103-D106 PolarHBondContact O-N 3.36Å; V103-L107 HydrophobicContact CG1-CD1 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.39Å; V103-L107 PolarHBondContact O-N 3Å; V103-W227 HydrophobicContact CB-CH2 4.43Å; V103-W227 HydrophobicContact CB-CZ2 4.36Å; V103-W227 HydrophobicContact CG1-CD2 4.33Å; V103-W227 HydrophobicContact CG1-CH2 4.03Å; V103-W227 HydrophobicContact CG1-CZ2 3.56Å; V103-W227 HydrophobicContact CG2-CD2 3.77Å; V103-W227 HydrophobicContact CG2-CE3 3.9Å; V103-W227 HydrophobicContact CG2-CG 4.16Å; V103-W227 HydrophobicContact CG2-CH2 4.46Å; V103-W227 HydrophobicContact CG2-CZ2 4.38Å; V103-W227 HydrophobicContact CG2-CZ3 4.2Å; V103-I230 HydrophobicContact CB-CD1 4.48Å; V103-I230 HydrophobicContact CG2-CD1 3.61Å
104N93Very high91.4Very high4 Ų414.3 Ų14.32%0.0217%0.066CC..Hα-helixtrans-61.4-42.6177.9-171.315.2000112C27 F30 M100 T101 L102 Q108 R266C27-N104 HydrophobicContact CB-CB 4.03Å; C27-N104 WeakPolarHBondContact O-CB 3.36Å; C27-N104 PolarHBondContact O-ND2 2.71Å; F30-N104 PolarHBondContact O-ND2 3.39Å; M100-N104 PolarHBondContact O-N 3.39Å; T101-N104 PolarHBondContact O-N 3.12Å; L102-N104 VanDerWaalsContact C-N 3.35Å; L102-N104 PolarHBondContact O-N 2.85Å; N104-Q108 VanDerWaalsContact O-CG 3.3Å; N104-Q108 WeakPolarHBondContact O-CG 3.28Å; N104-Q108 PolarHBondContact O-N 2.9Å; N104-Q108 PolarHBondContact O-NE2 3.41Å; N104-Q108 PolarHBondContact OD1-NE2 3.3Å; N104-Q108 VanDerWaalsContact OD1-NE2 3.08Å; N104-R266 WeakPolarHBondContact OD1-CD 3.46Å; N104-R266 PolarHBondContact OD1-NH1 3.01Å
105V92.9Very high90.6Very high5 Ų511.1 Ų11.13%0.035%0.051CC..Hα-helixtrans-65.8-41.7176.1171.30000111.3T101 L102 V103 Q108 L109 K155 Q158 K159 M162T101-V105 WeakPolarHBondContact O-CG2 3.41Å; T101-V105 PolarHBondContact O-N 3.33Å; L102-V105 PolarHBondContact O-N 2.89Å; V103-V105 VanDerWaalsContact C-N 3.34Å; V103-V105 PolarHBondContact O-N 3.48Å; V105-Q108 WeakPolarHBondContact O-CB 3.43Å; V105-Q108 PolarHBondContact O-N 2.93Å; V105-L109 HydrophobicContact CG1-CD1 4.47Å; V105-L109 PolarHBondContact O-N 2.92Å; V105-K155 HydrophobicContact CG1-CD 4.33Å; V105-Q158 HydrophobicContact CG1-CB 4.41Å; V105-Q158 HydrophobicContact CG1-CG 4.25Å; V105-Q158 HydrophobicContact CG2-CG 4.17Å; V105-K159 HydrophobicContact CG1-CB 4.25Å; V105-M162 HydrophobicContact CG2-SD 4.01Å
106D91.6Very high90Very high14 Ų1415.5 Ų15.58%0.0757%0.072CC..Hα-helixtrans-69.9-35.9-178.6-161.869.8000112.4L102 V103 Q108 L109 E110 K159 W227L102-D106 WeakPolarHBondContact O-CB 3.36Å; L102-D106 PolarHBondContact O-N 3.36Å; V103-D106 PolarHBondContact O-N 3.36Å; D106-Q108 VanDerWaalsContact C-N 3.3Å; D106-Q108 PolarHBondContact O-N 3.22Å; D106-L109 WeakPolarHBondContact O-CB 3.15Å; D106-L109 PolarHBondContact O-N 3.49Å; D106-E110 PolarHBondContact O-N 3.41Å; D106-K159 WeakPolarHBondContact OD1-CD 3.22Å; D106-K159 WeakPolarHBondContact OD1-CE 3.49Å; D106-K159 IonicContact OD1-NZ 2.71Å; D106-K159 PolarHBondContact OD1-NZ 3.19Å; D106-W227 HydrophobicContact CB-CH2 3.67Å; D106-W227 HydrophobicContact CB-CZ3 3.51Å; D106-W227 WeakPolarHBondContact OD2-CH2 3.42Å; D106-W227 WeakPolarHBondContact OD2-CZ3 3.48Å
107L89.5Confident89.1Confident0 Ų020.5 Ų20.50%010%0.095CC..Hα-helixtrans-63.2-36.4170-73.9172.7000112.2C27 V103 E110 A111 W227 R266 I270C27-L107 VanDerWaalsContact SG-CD1 3.54Å; V103-L107 HydrophobicContact CG1-CD1 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.39Å; V103-L107 PolarHBondContact O-N 3Å; L107-E110 PolarHBondContact O-N 2.85Å; L107-A111 WeakPolarHBondContact O-CB 3.46Å; L107-A111 PolarHBondContact O-N 2.93Å; L107-W227 HydrophobicContact CD1-CZ2 4.35Å; L107-W227 HydrophobicContact CD2-CH2 4.2Å; L107-W227 HydrophobicContact CD2-CZ2 3.75Å; L107-W227 HydrophobicContact CG-CH2 3.95Å; L107-W227 HydrophobicContact CG-CZ2 3.68Å; L107-R266 HydrophobicContact CB-CG 3.74Å; L107-R266 HydrophobicContact CD1-CG 4.21Å; L107-I270 HydrophobicContact CD1-CD1 4.12Å; L107-I270 HydrophobicContact CD1-CG1 4.04Å
108Q89.9Confident87.9Confident4 Ų424.2 Ų24.22%0.01911%0.111CC..Hα-helixtrans-66.7-39173.9-69.1167.137.900111.4N104 V105 D106 A111 L112 K155 L262 R266N104-Q108 VanDerWaalsContact O-CG 3.3Å; N104-Q108 WeakPolarHBondContact O-CG 3.28Å; N104-Q108 PolarHBondContact O-N 2.9Å; N104-Q108 PolarHBondContact O-NE2 3.41Å; N104-Q108 PolarHBondContact OD1-NE2 3.3Å; N104-Q108 VanDerWaalsContact OD1-NE2 3.08Å; V105-Q108 WeakPolarHBondContact O-CB 3.43Å; V105-Q108 PolarHBondContact O-N 2.93Å; D106-Q108 VanDerWaalsContact C-N 3.3Å; D106-Q108 PolarHBondContact O-N 3.22Å; Q108-A111 WeakPolarHBondContact O-CB 3.38Å; Q108-A111 PolarHBondContact O-N 2.95Å; Q108-L112 VanDerWaalsContact O-CG 3.3Å; Q108-L112 WeakPolarHBondContact O-CG 3.42Å; Q108-L112 PolarHBondContact O-N 3.4Å; Q108-K155 VanDerWaalsContact OE1-CE 3.28Å; Q108-L262 HydrophobicContact CG-CB 4.4Å; Q108-R266 HydrophobicContact CG-CB 4.36Å
109L89.3Confident86.6Confident3 Ų327.6 Ų27.62%0.01612%0.124CC..Hα-helixtrans-62.4-47173.1-83.9168.5000112.2V105 D106 A111 L112 H113 L152 K155 K159V105-L109 HydrophobicContact CG1-CD1 4.47Å; V105-L109 PolarHBondContact O-N 2.92Å; D106-L109 WeakPolarHBondContact O-CB 3.15Å; D106-L109 PolarHBondContact O-N 3.49Å; L109-A111 VanDerWaalsContact C-N 3.25Å; L109-A111 PolarHBondContact O-N 2.83Å; L109-L112 WeakPolarHBondContact O-CB 3.45Å; L109-L112 PolarHBondContact O-N 3.29Å; L109-H113 PolarHBondContact O-N 3.28Å; L109-H113 PolarHBondContact O-ND1 3.38Å; L109-L152 HydrophobicContact CD2-CD2 4.38Å; L109-K155 HydrophobicContact CD1-CB 4.32Å; L109-K155 HydrophobicContact CD2-CB 3.43Å; L109-K155 VanDerWaalsContact CD2-CB 3.43Å; L109-K155 HydrophobicContact CG-CB 3.62Å; L109-K159 HydrophobicContact CD1-CB 3.91Å; L109-K159 HydrophobicContact CD1-CD 3.66Å; L109-K159 HydrophobicContact CD1-CG 4.38Å
110E87.8Confident84.7Confident48 Ų4830.4 Ų30.422%0.22415%0.153CC..Hα-helixtrans-60.1-39.5176.7-172.2170.7143.900111.2D106 L107 H113 Y114 L269 R273D106-E110 PolarHBondContact O-N 3.41Å; L107-E110 PolarHBondContact O-N 2.85Å; E110-H113 PolarHBondContact O-N 2.96Å; E110-Y114 WeakPolarHBondContact O-CB 3.26Å; E110-Y114 PolarHBondContact O-N 2.65Å; E110-L269 HydrophobicContact CB-CD1 3.95Å; E110-L269 HydrophobicContact CG-CD1 3.88Å; E110-R273 IonicContact OE1-CZ 3.18Å; E110-R273 IonicContact OE1-NE 3.73Å; E110-R273 IonicContact OE1-NH2 2.65Å; E110-R273 PolarHBondContact OE1-NH2 3.27Å; E110-R273 IonicContact OE2-CZ 3.7Å; E110-R273 IonicContact OE2-NH2 3.74Å; E110-R273 PolarHBondContact OE2-NH2 3.48Å
111A86.4Confident82.5Confident1 Ų135.7 Ų35.71%0.00818%0.182CC..Hα-helixtrans-63.4-45175.900000111.8L107 Q108 L109 Y114 I115 Q265 L269L107-A111 WeakPolarHBondContact O-CB 3.46Å; L107-A111 PolarHBondContact O-N 2.93Å; Q108-A111 WeakPolarHBondContact O-CB 3.38Å; Q108-A111 PolarHBondContact O-N 2.95Å; L109-A111 VanDerWaalsContact C-N 3.25Å; L109-A111 PolarHBondContact O-N 2.83Å; A111-Y114 WeakPolarHBondContact O-CB 3.44Å; A111-Y114 PolarHBondContact O-N 2.87Å; A111-I115 WeakPolarHBondContact O-CB 3.44Å; A111-I115 WeakPolarHBondContact O-CD1 3.32Å; A111-I115 VanDerWaalsContact O-CG1 3.23Å; A111-I115 WeakPolarHBondContact O-CG1 3.39Å; A111-I115 PolarHBondContact O-N 3.42Å; A111-Q265 HydrophobicContact CB-CB 3.77Å; A111-L269 VanDerWaalsContact CA-CD1 3.48Å; A111-L269 HydrophobicContact CB-CD1 3.67Å; A111-L269 HydrophobicContact CB-CG 4.31Å; A111-L269 VanDerWaalsContact N-CD1 3.33Å
112L85Confident80.1Confident0 Ų044.1 Ų44.10%022%0.22CC..Hα-helixtrans-62-43.3175.5-72.6169000112Q108 L109 I115 Q116 L148 M151 L152 K155 L262Q108-L112 VanDerWaalsContact O-CG 3.3Å; Q108-L112 WeakPolarHBondContact O-CG 3.42Å; Q108-L112 PolarHBondContact O-N 3.4Å; L109-L112 WeakPolarHBondContact O-CB 3.45Å; L109-L112 PolarHBondContact O-N 3.29Å; L112-I115 PolarHBondContact O-N 3.23Å; L112-Q116 WeakPolarHBondContact O-CB 3.33Å; L112-Q116 PolarHBondContact O-N 2.97Å; L112-L148 HydrophobicContact CD2-CD1 3.55Å; L112-M151 HydrophobicContact CD1-CB 3.75Å; L112-M151 HydrophobicContact CD2-CB 3.87Å; L112-M151 HydrophobicContact CD2-CE 4.15Å; L112-M151 HydrophobicContact CD2-CG 4.36Å; L112-M151 HydrophobicContact CD2-SD 3.94Å; L112-M151 HydrophobicContact CG-CB 4.49Å; L112-L152 HydrophobicContact CB-CD2 3.45Å; L112-L152 VanDerWaalsContact CB-CD2 3.45Å; L112-L152 HydrophobicContact CB-CG 3.9Å; L112-L152 HydrophobicContact CD1-CD2 4.24Å; L112-L152 HydrophobicContact CD1-CG 4.33Å; L112-L152 HydrophobicContact CG-CD2 4.47Å; L112-K155 HydrophobicContact CD1-CB 4.47Å; L112-K155 HydrophobicContact CD1-CG 4.09Å; L112-L262 HydrophobicContact CD1-CD2 3.9Å; L112-L262 HydrophobicContact CD2-CD2 3.55Å; L112-L262 HydrophobicContact CG-CD2 3.59Å
113H85.7Confident77.3Confident59 Ų5952.6 Ų52.627%0.27326%0.258SS..Hα-helixtrans-62.4-42.9175-74.2149000111.8L109 E110 I115 Q116 Q117 L152 E237L109-H113 PolarHBondContact O-N 3.28Å; L109-H113 PolarHBondContact O-ND1 3.38Å; E110-H113 PolarHBondContact O-N 2.96Å; H113-I115 VanDerWaalsContact C-N 3.31Å; H113-I115 PolarHBondContact O-N 3.45Å; H113-Q116 PolarHBondContact O-N 3.49Å; H113-Q117 WeakPolarHBondContact O-CB 3.4Å; H113-Q117 PolarHBondContact O-N 3.14Å; H113-L152 WeakPolarHBondContact CD2-CD2 3.25Å; H113-E237 IonicContact CE1-OE1 3.69Å
114Y82Confident74.7Confident65 Ų6558.1 Ų58.126%0.25529%0.286SS..Hα-helixtrans-60.4-42.6176.4-176.5-102.1000111.8E110 A111 K118E110-Y114 WeakPolarHBondContact O-CB 3.26Å; E110-Y114 PolarHBondContact O-N 2.65Å; A111-Y114 WeakPolarHBondContact O-CB 3.44Å; A111-Y114 PolarHBondContact O-N 2.87Å; Y114-K118 HydrophobicContact CD1-CD 4.27Å; Y114-K118 HydrophobicContact CE1-CD 3.69Å; Y114-K118 VanDerWaalsContact CE1-CE 3.46Å; Y114-K118 HydrophobicContact CE1-CG 4.5Å; Y114-K118 PolarHBondContact O-N 2.93Å; Y114-K118 WeakPolarHBondContact OH-CE 3.24Å; Y114-K118 PolarHBondContact OH-NZ 3.44Å
115I76.4Confident71.8Confident3 Ų366 Ų662%0.01532%0.323CS..Hα-helixtrans-64.1-47.5175-70.5162.5000111A111 L112 H113 Q117 K118 Y119 M126 L148 F261 Q265A111-I115 WeakPolarHBondContact O-CB 3.44Å; A111-I115 WeakPolarHBondContact O-CD1 3.32Å; A111-I115 VanDerWaalsContact O-CG1 3.23Å; A111-I115 WeakPolarHBondContact O-CG1 3.39Å; A111-I115 PolarHBondContact O-N 3.42Å; L112-I115 PolarHBondContact O-N 3.23Å; H113-I115 VanDerWaalsContact C-N 3.31Å; H113-I115 PolarHBondContact O-N 3.45Å; I115-Q117 VanDerWaalsContact C-N 3.33Å; I115-Q117 PolarHBondContact O-N 3.4Å; I115-K118 PolarHBondContact O-N 3.48Å; I115-K118 VanDerWaalsContact O-N 3.14Å; I115-Y119 HydrophobicContact CG2-CD2 3.47Å; I115-Y119 VanDerWaalsContact CG2-CD2 3.47Å; I115-Y119 HydrophobicContact CG2-CE2 3.23Å; I115-Y119 WeakPolarHBondContact O-CD2 3.35Å; I115-Y119 PolarHBondContact O-N 2.87Å; I115-M126 HydrophobicContact CG1-CE 4.34Å; I115-L148 HydrophobicContact CG2-CD1 4.02Å; I115-L148 HydrophobicContact CG2-CD2 4.33Å; I115-F261 HydrophobicContact CD1-CE1 3.63Å; I115-F261 HydrophobicContact CD1-CZ 3.5Å; I115-Q265 HydrophobicContact CD1-CB 4.02Å; I115-Q265 HydrophobicContact CD1-CG 3.5Å; I115-Q265 VanDerWaalsContact CD1-CG 3.5Å
116Q78.8Confident69.1Low92 Ų9269.4 Ų69.443%0.4334%0.339SS..Hα-helixtrans-58.4-44.2177.9-171.1-176.311.800111.9L112 H113 K118 Y119 G120 L148 L152L112-Q116 WeakPolarHBondContact O-CB 3.33Å; L112-Q116 PolarHBondContact O-N 2.97Å; H113-Q116 PolarHBondContact O-N 3.49Å; Q116-K118 VanDerWaalsContact C-N 3.31Å; Q116-K118 PolarHBondContact O-N 3.24Å; Q116-Y119 PolarHBondContact O-N 3.35Å; Q116-G120 PolarHBondContact O-N 2.76Å; Q116-G120 VanDerWaalsContact O-N 3.12Å; Q116-L148 HydrophobicContact CB-CD2 3.84Å; Q116-L148 HydrophobicContact CG-CD2 4.17Å; Q116-L152 HydrophobicContact CB-CD1 4.46Å; Q116-L152 HydrophobicContact CG-CD1 4.49Å
117Q78.3Confident66.3Low107 Ų10780 Ų8050%0.538%0.38SS..Hα-helixtrans-61.8-40.4176.5-172.4-178.512.400111.3H113 I115 G120 N121H113-Q117 WeakPolarHBondContact O-CB 3.4Å; H113-Q117 PolarHBondContact O-N 3.14Å; I115-Q117 VanDerWaalsContact C-N 3.33Å; I115-Q117 PolarHBondContact O-N 3.4Å; Q117-G120 PolarHBondContact O-N 2.68Å; Q117-N121 PolarHBondContact O-N 2.72Å
118K69.7Low63.9Low78 Ų7884 Ų8434%0.33941%0.408SS..Hα-helixtrans-70.5-35.8176.2-80.1-168.9166.3-178.50113.6Y114 I115 Q116 G120 N121Y114-K118 HydrophobicContact CD1-CD 4.27Å; Y114-K118 HydrophobicContact CE1-CD 3.69Å; Y114-K118 VanDerWaalsContact CE1-CE 3.46Å; Y114-K118 HydrophobicContact CE1-CG 4.5Å; Y114-K118 PolarHBondContact O-N 2.93Å; Y114-K118 WeakPolarHBondContact OH-CE 3.24Å; Y114-K118 PolarHBondContact OH-NZ 3.44Å; I115-K118 PolarHBondContact O-N 3.48Å; I115-K118 VanDerWaalsContact O-N 3.14Å; Q116-K118 VanDerWaalsContact C-N 3.31Å; Q116-K118 PolarHBondContact O-N 3.24Å; K118-G120 VanDerWaalsContact C-N 3.29Å; K118-G120 PolarHBondContact O-N 3.2Å; K118-N121 CarbonylContact O-C 3.42Å; K118-N121 WeakPolarHBondContact O-CA 3.18Å; K118-N121 PolarHBondContact O-N 2.71Å
119Y66.7Low61.3Low89 Ų8991 Ų9135%0.34945%0.446SS..Hα-helixtrans-61.6-37.6172.2-86-71.5000112I115 Q116 N121 I124 L148I115-Y119 HydrophobicContact CG2-CD2 3.47Å; I115-Y119 VanDerWaalsContact CG2-CD2 3.47Å; I115-Y119 HydrophobicContact CG2-CE2 3.23Å; I115-Y119 WeakPolarHBondContact O-CD2 3.35Å; I115-Y119 PolarHBondContact O-N 2.87Å; Q116-Y119 PolarHBondContact O-N 3.35Å; Y119-N121 PolarHBondContact O-N 2.89Å; Y119-I124 HydrophobicContact CD1-CD1 4.15Å; Y119-I124 HydrophobicContact CE1-CD1 3.65Å; Y119-L148 HydrophobicContact CD2-CD2 4.01Å; Y119-L148 HydrophobicContact CE2-CD2 4.37Å
120G55.6Low58.8Low61 Ų6197.8 Ų97.863%0.62948%0.482SS*.Hα-helixtrans-60.9-26172.500000113.5Q116 Q117 K118Q116-G120 PolarHBondContact O-N 2.76Å; Q116-G120 VanDerWaalsContact O-N 3.12Å; Q117-G120 PolarHBondContact O-N 2.68Å; K118-G120 VanDerWaalsContact C-N 3.29Å; K118-G120 PolarHBondContact O-N 3.2Å
121N50.8Low56.5Low112 Ų112102 Ų10260%0.59951%0.506SS*.THydrogen-bonded Turntrans-104.731.7-176.3-69.5-18.7000113.6Q117 K118 Y119 F123Q117-N121 PolarHBondContact O-N 2.72Å; K118-N121 CarbonylContact O-C 3.42Å; K118-N121 WeakPolarHBondContact O-CA 3.18Å; K118-N121 PolarHBondContact O-N 2.71Å; Y119-N121 PolarHBondContact O-N 2.89Å; N121-F123 PolarHBondContact O-N 3.5Å
122Q44.9Very low54.2Low181 Ų181109.2 Ų109.285%0.84654%0.544SS*.THydrogen-bonded Turntrans39.310.4165-76.5-168.51.300121.6
123F34.4Very low51.9Low178 Ų178117.2 Ų117.278%0.78159%0.587SS**  trans-121.488.9176.8-82.8-86000110.1N121 Q125N121-F123 PolarHBondContact O-N 3.5Å; F123-Q125 PolarHBondContact O-N 2.86Å
124I39.9Very low49.4Very low117 Ų117121.1 Ų121.160%0.661%0.61SS**  trans-81.492.6166.5-59.6173.8000107.4Y119Y119-I124 HydrophobicContact CD1-CD1 4.15Å; Y119-I124 HydrophobicContact CE1-CD1 3.65Å
125Q32.8Very low47.1Very low170 Ų170124 Ų12479%0.79464%0.64SS**  trans-123.183.5153.1-93.9179.2-16.300106.3F123 Y127F123-Q125 PolarHBondContact O-N 2.86Å; Q125-Y127 PolarHBondContact O-N 3.36Å
126M35.4Very low45.2Very low76 Ų76129 Ų12937%0.37467%0.67SS.*  trans-63.9128.3159.5-70.9-66.1-177.500106I115 S128I115-M126 HydrophobicContact CG1-CE 4.34Å; M126-S128 PolarHBondContact O-N 3.42Å
127Y33.1Very low43Very low235 Ų235131.3 Ų131.392%0.92269%0.686SS**  trans-60.992.8169.5-71.9-86.5000107.6Q125 N129Q125-Y127 PolarHBondContact O-N 3.36Å; Y127-N129 PolarHBondContact O-N 2.96Å
128S38.4Very low41Very low85 Ų85133 Ų13359%0.59470%0.698SS**  trans-61117.6152.2-72.30000105.2M126 N130M126-S128 PolarHBondContact O-N 3.42Å; S128-N130 VanDerWaalsContact C-N 3.27Å; S128-N130 PolarHBondContact O-N 3.1Å
129N35.6Very low39.4Very low152 Ų152134.8 Ų134.881%0.81371%0.71SS**  trans-59.499.7169.8-139.16.5000106Y127 N131Y127-N129 PolarHBondContact O-N 2.96Å; N129-N131 PolarHBondContact O-N 3.33Å
130N36Very low38.4Very low145 Ų145135.5 Ų135.578%0.77573%0.728SS**SBendtrans-69.585.1170-74.2-32.4000106S128S128-N130 VanDerWaalsContact C-N 3.27Å; S128-N130 PolarHBondContact O-N 3.1Å
131N39.5Very low37.9Very low135 Ų135136 Ų13672%0.72272%0.719SS**  trans178.485.4159.2-83.4-25.7000105.7N129N129-N131 PolarHBondContact O-N 3.33Å
132D39.5Very low38Very low154 Ų154135.7 Ų135.782%0.82472%0.723SS**  trans179.4123.8134.5-81.3-26.1000108.6D134D132-D134 VanDerWaalsContact C-N 3.26Å; D132-D134 PolarHBondContact O-N 2.99Å
133N36.1Very low38.8Very low168 Ų168128 Ų12890%0.89869%0.688SS**  trans-80.347.7-166.4-69.9-61.3000113.9
134D34.1Very low40.5Very low140 Ų140123.9 Ų123.975%0.74967%0.674SS**  trans-110.3102170.9-85.4-28.2000110.6D132 V136D132-D134 VanDerWaalsContact C-N 3.26Å; D132-D134 PolarHBondContact O-N 2.99Å; D134-V136 PolarHBondContact O-N 2.81Å
135S33.2Very low42Very low126 Ų126126.2 Ų126.288%0.88168%0.68SS**  trans-67.681.7170.166.70000109.7
136V36.1Very low44.1Very low109 Ų109122.5 Ų122.566%0.66167%0.665SS**SBendtrans-134.499165.1-174.20000106.6D134 N138D134-V136 PolarHBondContact O-N 2.81Å; V136-N138 PolarHBondContact O-N 3.35Å
137D33.4Very low46.2Very low140 Ų140122.3 Ų122.375%0.74966%0.663SS**  trans33.367.2151.9-67.8-26.5000115.5I139D137-I139 HydrophobicContact CB-CD1 4.41Å; D137-I139 HydrophobicContact CB-CG1 4.13Å; D137-I139 PolarHBondContact O-N 3.33Å
138N35.5Very low48.5Very low141 Ų141111.4 Ų111.475%0.75462%0.621SS**  trans-69.970.7159.3-79.7-60.3000108.3V136 S140V136-N138 PolarHBondContact O-N 3.35Å; N138-S140 PolarHBondContact O-N 2.81Å
139I37.2Very low50.6Low116 Ų116109.8 Ų109.860%0.59561%0.607SS**  trans-67.483.4166.8-54.5174.9000105.3D137 T141D137-I139 HydrophobicContact CB-CD1 4.41Å; D137-I139 HydrophobicContact CB-CG1 4.13Å; D137-I139 PolarHBondContact O-N 3.33Å; I139-T141 HydrophobicContact CG2-CG2 3.68Å; I139-T141 PolarHBondContact O-N 3.5Å
140S45.2Very low52.9Low105 Ų105107.1 Ų107.173%0.73459%0.593SS**  trans-68.380.1151.6-77.60000105.4N138 P142N138-S140 PolarHBondContact O-N 2.81Å; S140-P142 WeakPolarHBondContact O-CD 3.17Å
141T44.1Very low55.4Low70 Ų70100.2 Ų100.243%0.42956%0.556SS.*  trans-53.5112.7166.78.20000105I139 I143 E257I139-T141 HydrophobicContact CG2-CG2 3.68Å; I139-T141 PolarHBondContact O-N 3.5Å; T141-I143 VanDerWaalsContact C-N 3.34Å; T141-I143 PolarHBondContact O-N 3.46Å; T141-E257 PolarHBondContact OG1-OE1 3.37Å
142P53Low57.6Low107 Ų10793.9 Ų93.970%0.69552%0.523SS*.  trans-61.6104.9173.923.6-29.4000106.2S140 N144S140-P142 WeakPolarHBondContact O-CD 3.17Å; P142-N144 PolarHBondContact O-N 3.14Å; P142-N144 VanDerWaalsContact O-N 3.13Å
143I62.1Low60Low19 Ų1988.9 Ų88.910%0.09750%0.496CS..  trans-53.2125.1178.8-75.8161.6000107.4T141 K145 E147 L148 M151 F261T141-I143 VanDerWaalsContact C-N 3.34Å; T141-I143 PolarHBondContact O-N 3.46Å; I143-K145 PolarHBondContact O-N 3.26Å; I143-E147 HydrophobicContact CG2-CB 4.18Å; I143-E147 HydrophobicContact CG2-CG 4.48Å; I143-L148 HydrophobicContact CG2-CB 3.88Å; I143-M151 HydrophobicContact CD1-CE 3.87Å; I143-M151 HydrophobicContact CG1-CE 4.36Å; I143-M151 HydrophobicContact CG2-CE 3.8Å; I143-F261 HydrophobicContact CD1-CD1 3.55Å; I143-F261 HydrophobicContact CD1-CD2 3.88Å; I143-F261 HydrophobicContact CD1-CE1 3.16Å; I143-F261 HydrophobicContact CD1-CE2 3.52Å; I143-F261 HydrophobicContact CD1-CG 3.89Å; I143-F261 HydrophobicContact CD1-CZ 3.14Å
144N69.5Low62.6Low91 Ų9185.2 Ų85.249%0.48747%0.473SS..  trans-62.5137.3176.5-175.5-22.8000108.3P142 N146 E147 L148P142-N144 PolarHBondContact O-N 3.14Å; P142-N144 VanDerWaalsContact O-N 3.13Å; N144-N146 PolarHBondContact O-N 3.22Å; N144-N146 PolarHBondContact OD1-N 3.06Å; N144-E147 HydrophobicContact CB-CB 4.33Å; N144-E147 WeakPolarHBondContact O-CB 3.34Å; N144-E147 PolarHBondContact O-N 3.36Å; N144-L148 PolarHBondContact O-N 2.79Å
145K73.2Confident65.3Low167 Ų16779.1 Ų79.173%0.72644%0.44SS*.Hα-helixtrans-48-35.6174.3-175.3178.8178.2-178.40112.6I143 T149I143-K145 PolarHBondContact O-N 3.26Å; K145-T149 PolarHBondContact O-N 2.79Å; K145-T149 VanDerWaalsContact O-N 3.15Å; K145-T149 PolarHBondContact O-OG1 3.3Å
146N75.6Confident68Low91 Ų9174.1 Ų74.149%0.48741%0.405SS..Hα-helixtrans-67.2-47.5177.1-64.9-6.9000111.4N144 L148 T149 D150N144-N146 PolarHBondContact O-N 3.22Å; N144-N146 PolarHBondContact OD1-N 3.06Å; N146-L148 VanDerWaalsContact C-N 3.34Å; N146-L148 PolarHBondContact O-N 3.23Å; N146-T149 WeakPolarHBondContact O-CB 3.43Å; N146-T149 PolarHBondContact O-N 3.02Å; N146-T149 VanDerWaalsContact O-N 3.08Å; N146-D150 PolarHBondContact O-N 3.04Å
147E80Confident70.6Confident72 Ų7274.3 Ų74.334%0.33640%0.398SS..Hα-helixtrans-60.5-44.1178.5-172.9-173.4176.900111.2I143 N144 T149 D150 M151I143-E147 HydrophobicContact CG2-CB 4.18Å; I143-E147 HydrophobicContact CG2-CG 4.48Å; N144-E147 HydrophobicContact CB-CB 4.33Å; N144-E147 WeakPolarHBondContact O-CB 3.34Å; N144-E147 PolarHBondContact O-N 3.36Å; E147-T149 VanDerWaalsContact C-N 3.28Å; E147-T149 PolarHBondContact O-N 3.06Å; E147-D150 PolarHBondContact O-N 3.31Å; E147-D150 VanDerWaalsContact O-N 3.16Å; E147-M151 HydrophobicContact CG-CE 4.3Å; E147-M151 WeakPolarHBondContact O-CG 3.28Å; E147-M151 PolarHBondContact O-N 2.94Å
148L80.7Confident73.4Confident6 Ų669.4 Ų69.43%0.03137%0.371CS..Hα-helixtrans-57-42.4174.4-174.170.8000112.1L112 I115 Q116 Y119 I143 N144 N146 D150 M151 L152L112-L148 HydrophobicContact CD2-CD1 3.55Å; I115-L148 HydrophobicContact CG2-CD1 4.02Å; I115-L148 HydrophobicContact CG2-CD2 4.33Å; Q116-L148 HydrophobicContact CB-CD2 3.84Å; Q116-L148 HydrophobicContact CG-CD2 4.17Å; Y119-L148 HydrophobicContact CD2-CD2 4.01Å; Y119-L148 HydrophobicContact CE2-CD2 4.37Å; I143-L148 HydrophobicContact CG2-CB 3.88Å; N144-L148 PolarHBondContact O-N 2.79Å; N146-L148 VanDerWaalsContact C-N 3.34Å; N146-L148 PolarHBondContact O-N 3.23Å; L148-D150 VanDerWaalsContact C-N 3.35Å; L148-M151 HydrophobicContact CD1-CE 4.37Å; L148-M151 PolarHBondContact O-N 3.42Å; L148-L152 HydrophobicContact CG-CD1 4.3Å; L148-L152 WeakPolarHBondContact O-CG 3.49Å; L148-L152 PolarHBondContact O-N 3.37Å
149T82.5Confident76.1Confident51 Ų5164.6 Ų64.631%0.31334%0.344SS..Hα-helixtrans-64.7-40.8178.2-54.90000111.1K145 N146 E147 L152 L153 I239K145-T149 PolarHBondContact O-N 2.79Å; K145-T149 VanDerWaalsContact O-N 3.15Å; K145-T149 PolarHBondContact O-OG1 3.3Å; N146-T149 WeakPolarHBondContact O-CB 3.43Å; N146-T149 PolarHBondContact O-N 3.02Å; N146-T149 VanDerWaalsContact O-N 3.08Å; E147-T149 VanDerWaalsContact C-N 3.28Å; E147-T149 PolarHBondContact O-N 3.06Å; T149-L152 PolarHBondContact O-N 3.15Å; T149-L153 WeakPolarHBondContact O-CB 3.44Å; T149-L153 PolarHBondContact O-N 3.11Å; T149-I239 HydrophobicContact CG2-CG2 4.49Å
150D85.4Confident78.7Confident96 Ų9663.1 Ų63.151%0.51334%0.337SS..Hα-helixtrans-66-40.2176.7-66.6-23.9000111.6N146 E147 L148 L153 E154N146-D150 PolarHBondContact O-N 3.04Å; E147-D150 PolarHBondContact O-N 3.31Å; E147-D150 VanDerWaalsContact O-N 3.16Å; L148-D150 VanDerWaalsContact C-N 3.35Å; D150-L153 PolarHBondContact O-N 3.1Å; D150-E154 VanDerWaalsContact O-CB 3.28Å; D150-E154 WeakPolarHBondContact O-CB 3.47Å; D150-E154 PolarHBondContact O-N 2.95Å
151M86.6Confident80.9Confident0 Ų060 Ų600%032%0.321CS..Hα-helixtrans-63.4-43.6175.1-45-156.3-122.900112.2L112 I143 E147 L148 L153 E154 K155 K258 F261 L262L112-M151 HydrophobicContact CD1-CB 3.75Å; L112-M151 HydrophobicContact CD2-CB 3.87Å; L112-M151 HydrophobicContact CD2-CE 4.15Å; L112-M151 HydrophobicContact CD2-CG 4.36Å; L112-M151 HydrophobicContact CD2-SD 3.94Å; L112-M151 HydrophobicContact CG-CB 4.49Å; I143-M151 HydrophobicContact CD1-CE 3.87Å; I143-M151 HydrophobicContact CG1-CE 4.36Å; I143-M151 HydrophobicContact CG2-CE 3.8Å; E147-M151 HydrophobicContact CG-CE 4.3Å; E147-M151 WeakPolarHBondContact O-CG 3.28Å; E147-M151 PolarHBondContact O-N 2.94Å; L148-M151 HydrophobicContact CD1-CE 4.37Å; L148-M151 PolarHBondContact O-N 3.42Å; M151-L153 VanDerWaalsContact C-N 3.34Å; M151-E154 PolarHBondContact O-N 3.46Å; M151-K155 WeakPolarHBondContact O-CB 3.48Å; M151-K155 VanDerWaalsContact O-CG 3.26Å; M151-K155 WeakPolarHBondContact O-CG 3.41Å; M151-K155 PolarHBondContact O-N 2.93Å; M151-K258 HydrophobicContact CG-CD 3.99Å; M151-K258 HydrophobicContact CG-CG 4.42Å; M151-K258 HydrophobicContact SD-CD 3.79Å; M151-K258 HydrophobicContact SD-CG 3.56Å; M151-K258 VanDerWaalsContact SD-CG 3.56Å; M151-F261 HydrophobicContact CE-CD1 4.47Å; M151-L262 HydrophobicContact SD-CD1 4.34Å; M151-L262 HydrophobicContact SD-CD2 4.23Å; M151-L262 HydrophobicContact SD-CG 4.25Å
152L87.6Confident83.1Confident3 Ų357.4 Ų57.42%0.01630%0.304CS..Hα-helixtrans-60-46.6177.7-81164.5000110.8L109 L112 H113 Q116 L148 T149 S156 I239L109-L152 HydrophobicContact CD2-CD2 4.38Å; L112-L152 HydrophobicContact CB-CD2 3.45Å; L112-L152 VanDerWaalsContact CB-CD2 3.45Å; L112-L152 HydrophobicContact CB-CG 3.9Å; L112-L152 HydrophobicContact CD1-CD2 4.24Å; L112-L152 HydrophobicContact CD1-CG 4.33Å; L112-L152 HydrophobicContact CG-CD2 4.47Å; H113-L152 WeakPolarHBondContact CD2-CD2 3.25Å; Q116-L152 HydrophobicContact CB-CD1 4.46Å; Q116-L152 HydrophobicContact CG-CD1 4.49Å; L148-L152 HydrophobicContact CG-CD1 4.3Å; L148-L152 WeakPolarHBondContact O-CG 3.49Å; L148-L152 PolarHBondContact O-N 3.37Å; T149-L152 PolarHBondContact O-N 3.15Å; L152-S156 VanDerWaalsContact O-CB 3.22Å; L152-S156 WeakPolarHBondContact O-CB 3.3Å; L152-S156 PolarHBondContact O-N 3.35Å; L152-I239 HydrophobicContact CB-CD1 4.1Å
153L89Confident84.9Confident49 Ų4952.3 Ų52.326%0.25727%0.271SS..Hα-helixtrans-62.6-48.4178-17962.4000111.8T149 D150 M151 S156 Q157T149-L153 WeakPolarHBondContact O-CB 3.44Å; T149-L153 PolarHBondContact O-N 3.11Å; D150-L153 PolarHBondContact O-N 3.1Å; M151-L153 VanDerWaalsContact C-N 3.34Å; L153-S156 PolarHBondContact O-N 3.4Å; L153-Q157 HydrophobicContact CD1-CG 4.43Å; L153-Q157 WeakPolarHBondContact O-CB 3.5Å; L153-Q157 VanDerWaalsContact O-CG 3.3Å; L153-Q157 WeakPolarHBondContact O-CG 3.46Å; L153-Q157 PolarHBondContact O-N 3.36Å
154E90.4Very high86.3Confident90 Ų9056.4 Ų56.442%0.42129%0.288SS..Hα-helixtrans-58.2-49.7179.3-177.1-170.8165.600111.4D150 M151 Q157 Q158 K258D150-E154 VanDerWaalsContact O-CB 3.28Å; D150-E154 WeakPolarHBondContact O-CB 3.47Å; D150-E154 PolarHBondContact O-N 2.95Å; M151-E154 PolarHBondContact O-N 3.46Å; E154-Q157 PolarHBondContact O-N 2.99Å; E154-Q158 WeakPolarHBondContact O-CB 3.41Å; E154-Q158 PolarHBondContact O-N 3.44Å; E154-K258 IonicContact OE2-NZ 2.7Å; E154-K258 PolarHBondContact OE2-NZ 3.14Å
155K90.4Very high87.3Confident13 Ų1355.1 Ų55.16%0.05728%0.284CS..Hα-helixtrans-69.5-35.2-178.4-66.5-72.91671790112.3V105 Q108 L109 L112 M151 Q158 K159V105-K155 HydrophobicContact CG1-CD 4.33Å; Q108-K155 VanDerWaalsContact OE1-CE 3.28Å; L109-K155 HydrophobicContact CD1-CB 4.32Å; L109-K155 HydrophobicContact CD2-CB 3.43Å; L109-K155 VanDerWaalsContact CD2-CB 3.43Å; L109-K155 HydrophobicContact CG-CB 3.62Å; L112-K155 HydrophobicContact CD1-CB 4.47Å; L112-K155 HydrophobicContact CD1-CG 4.09Å; M151-K155 WeakPolarHBondContact O-CB 3.48Å; M151-K155 VanDerWaalsContact O-CG 3.26Å; M151-K155 WeakPolarHBondContact O-CG 3.41Å; M151-K155 PolarHBondContact O-N 2.93Å; K155-Q158 WeakPolarHBondContact O-CB 3.32Å; K155-Q158 PolarHBondContact O-N 2.89Å; K155-K159 WeakPolarHBondContact O-CB 3.41Å; K155-K159 PolarHBondContact O-N 3.32Å
156S90.7Very high88.2Confident21 Ų2147.2 Ų47.215%0.14725%0.249CC..Hα-helixtrans-66.4-40.6175.9-177.50000110.9L152 L153 K159 N160 E237L152-S156 VanDerWaalsContact O-CB 3.22Å; L152-S156 WeakPolarHBondContact O-CB 3.3Å; L152-S156 PolarHBondContact O-N 3.35Å; L153-S156 PolarHBondContact O-N 3.4Å; S156-K159 PolarHBondContact O-N 2.95Å; S156-N160 WeakPolarHBondContact O-CB 3.45Å; S156-N160 PolarHBondContact O-N 2.96Å; S156-E237 PolarHBondContact OG-OE2 3Å; S156-E237 VanDerWaalsContact OG-OE2 3.07Å
157Q91.6Very high88.8Confident112 Ų11244.8 Ų44.852%0.52323%0.234SC..Hα-helixtrans-63.9-42.8172.6-72.1175.51.500112.3L153 E154 N160 G161L153-Q157 HydrophobicContact CD1-CG 4.43Å; L153-Q157 WeakPolarHBondContact O-CB 3.5Å; L153-Q157 VanDerWaalsContact O-CG 3.3Å; L153-Q157 WeakPolarHBondContact O-CG 3.46Å; L153-Q157 PolarHBondContact O-N 3.36Å; E154-Q157 PolarHBondContact O-N 2.99Å; Q157-N160 PolarHBondContact O-N 3.07Å; Q157-G161 PolarHBondContact O-N 2.98Å
158Q91.4Very high89.2Confident37 Ų3746.3 Ų46.317%0.17324%0.242CC..Hα-helixtrans-58.6-50.6175.4-177.1171.944.400111.1Y32 V105 E154 K155 N160 G161 M162Y32-Q158 HydrophobicContact CD2-CG 4.37Å; V105-Q158 HydrophobicContact CG1-CB 4.41Å; V105-Q158 HydrophobicContact CG1-CG 4.25Å; V105-Q158 HydrophobicContact CG2-CG 4.17Å; E154-Q158 WeakPolarHBondContact O-CB 3.41Å; E154-Q158 PolarHBondContact O-N 3.44Å; K155-Q158 WeakPolarHBondContact O-CB 3.32Å; K155-Q158 PolarHBondContact O-N 2.89Å; Q158-N160 PolarHBondContact O-N 3.48Å; Q158-G161 PolarHBondContact O-N 2.92Å; Q158-M162 HydrophobicContact CG-SD 3.85Å; Q158-M162 WeakPolarHBondContact O-CB 3.22Å; Q158-M162 WeakPolarHBondContact O-CG 3.42Å; Q158-M162 PolarHBondContact O-N 3.14Å
159K92.7Very high89.7Confident41 Ų4147.1 Ų47.118%0.17825%0.247CC..Hα-helixtrans-53.8-50175.4178.1-178.2175.5174.30111.5L102 V105 D106 L109 K155 S156 G161 M162 V163L102-K159 HydrophobicContact CD1-CB 4.46Å; L102-K159 HydrophobicContact CD1-CG 3.88Å; V105-K159 HydrophobicContact CG1-CB 4.25Å; D106-K159 WeakPolarHBondContact OD1-CD 3.22Å; D106-K159 WeakPolarHBondContact OD1-CE 3.49Å; D106-K159 IonicContact OD1-NZ 2.71Å; D106-K159 PolarHBondContact OD1-NZ 3.19Å; L109-K159 HydrophobicContact CD1-CB 3.91Å; L109-K159 HydrophobicContact CD1-CD 3.66Å; L109-K159 HydrophobicContact CD1-CG 4.38Å; K155-K159 WeakPolarHBondContact O-CB 3.41Å; K155-K159 PolarHBondContact O-N 3.32Å; S156-K159 PolarHBondContact O-N 2.95Å; K159-G161 PolarHBondContact O-N 3.27Å; K159-M162 PolarHBondContact O-N 3.44Å; K159-V163 HydrophobicContact CG-CG2 4.45Å; K159-V163 WeakPolarHBondContact O-CG2 3.33Å; K159-V163 PolarHBondContact O-N 3.31Å
160N91.2Very high89.9Confident85 Ų8544.7 Ų44.746%0.45523%0.232SC..Hα-helixtrans-60.7-47.1-178.9-170.6-9.3000112.1S156 Q157 Q158 M162 V163 K164 L233S156-N160 WeakPolarHBondContact O-CB 3.45Å; S156-N160 PolarHBondContact O-N 2.96Å; Q157-N160 PolarHBondContact O-N 3.07Å; Q158-N160 PolarHBondContact O-N 3.48Å; N160-M162 VanDerWaalsContact C-N 3.29Å; N160-M162 PolarHBondContact O-N 2.95Å; N160-V163 PolarHBondContact O-N 3.24Å; N160-K164 PolarHBondContact O-N 3.19Å; N160-K164 VanDerWaalsContact O-N 3.12Å; N160-L233 HydrophobicContact CB-CD2 4.25Å; N160-L233 WeakPolarHBondContact OD1-CD2 3.4Å
161G90.7Very high89.8Confident38 Ų3842.9 Ų42.939%0.39222%0.22SC..Hα-helixtrans-60-39176.200000113.1Q157 Q158 K159 T165Q157-G161 PolarHBondContact O-N 2.98Å; Q158-G161 PolarHBondContact O-N 2.92Å; K159-G161 PolarHBondContact O-N 3.27Å; G161-T165 PolarHBondContact O-N 2.88Å; G161-T165 VanDerWaalsContact O-N 3.16Å; G161-T165 PolarHBondContact O-OG1 3.1Å
162M91.7Very high89.8Confident16 Ų1645.9 Ų45.98%0.07924%0.241CC..Hα-helixtrans-68.9-46.5177.6-71.1175.969.400112.7Y32 T101 L102 V105 Q158 K159 N160 K164 T165 I166Y32-M162 HydrophobicContact CD2-SD 4.39Å; T101-M162 VanDerWaalsContact C-CE 3.49Å; T101-M162 VanDerWaalsContact CB-CE 3.49Å; T101-M162 HydrophobicContact CG2-CE 3.49Å; T101-M162 VanDerWaalsContact CG2-CE 3.49Å; T101-M162 HydrophobicContact CG2-SD 4.34Å; L102-M162 VanDerWaalsContact CA-CE 3.5Å; L102-M162 HydrophobicContact CB-CE 3.9Å; L102-M162 HydrophobicContact CD1-CB 3.99Å; L102-M162 HydrophobicContact CD1-CE 4.49Å; V105-M162 HydrophobicContact CG2-SD 4.01Å; Q158-M162 HydrophobicContact CG-SD 3.85Å; Q158-M162 WeakPolarHBondContact O-CB 3.22Å; Q158-M162 WeakPolarHBondContact O-CG 3.42Å; Q158-M162 PolarHBondContact O-N 3.14Å; K159-M162 PolarHBondContact O-N 3.44Å; N160-M162 VanDerWaalsContact C-N 3.29Å; N160-M162 PolarHBondContact O-N 2.95Å; M162-K164 VanDerWaalsContact C-N 3.26Å; M162-K164 PolarHBondContact O-N 2.92Å; M162-T165 WeakPolarHBondContact O-CB 3.39Å; M162-T165 PolarHBondContact O-N 3.5Å; M162-I166 WeakPolarHBondContact O-CG1 3.45Å; M162-I166 PolarHBondContact O-N 2.91Å
163V90.9Very high89.5Confident1 Ų147.4 Ų47.41%0.00625%0.248CC..Hα-helixtrans-59.2-41.2178.11740000110.8L102 K159 N160 T165 I166 K167 L231 L233L102-V163 HydrophobicContact CD1-CG2 3.88Å; L102-V163 HydrophobicContact CD2-CG2 3.78Å; K159-V163 HydrophobicContact CG-CG2 4.45Å; K159-V163 WeakPolarHBondContact O-CG2 3.33Å; K159-V163 PolarHBondContact O-N 3.31Å; N160-V163 PolarHBondContact O-N 3.24Å; V163-T165 VanDerWaalsContact C-N 3.32Å; V163-T165 PolarHBondContact O-N 3.03Å; V163-I166 PolarHBondContact O-N 3.43Å; V163-K167 HydrophobicContact CG1-CD 4Å; V163-K167 HydrophobicContact CG1-CG 4.36Å; V163-K167 WeakPolarHBondContact O-CB 3.33Å; V163-K167 WeakPolarHBondContact O-CG 3.27Å; V163-K167 PolarHBondContact O-N 3.32Å; V163-L231 HydrophobicContact CG1-CB 4.33Å; V163-L231 HydrophobicContact CG1-CD2 4.11Å; V163-L231 HydrophobicContact CG2-CD2 4.31Å; V163-L233 HydrophobicContact CB-CD1 3.53Å; V163-L233 HydrophobicContact CG1-CD1 3.24Å; V163-L233 HydrophobicContact CG2-CD1 3.77Å
164K90.3Very high89.1Confident105 Ų10545.7 Ų45.746%0.45724%0.239SC..Hα-helixtrans-59.9-42.6174.7-173179.1-178.41790112.3N160 M162 Q168N160-K164 PolarHBondContact O-N 3.19Å; N160-K164 VanDerWaalsContact O-N 3.12Å; M162-K164 VanDerWaalsContact C-N 3.26Å; M162-K164 PolarHBondContact O-N 2.92Å; K164-Q168 WeakPolarHBondContact O-CG 3.04Å; K164-Q168 PolarHBondContact O-N 3.27Å; K164-Q168 VanDerWaalsContact O-N 3.16Å
165T91.3Very high88.4Confident64 Ų6444.3 Ų44.339%0.39324%0.239SC..Hα-helixtrans-65.4-45.9178.2-55.70000111.1G161 M162 V163 K167 Q168 T169G161-T165 PolarHBondContact O-N 2.88Å; G161-T165 VanDerWaalsContact O-N 3.16Å; G161-T165 PolarHBondContact O-OG1 3.1Å; M162-T165 WeakPolarHBondContact O-CB 3.39Å; M162-T165 PolarHBondContact O-N 3.5Å; V163-T165 VanDerWaalsContact C-N 3.32Å; V163-T165 PolarHBondContact O-N 3.03Å; T165-K167 PolarHBondContact O-N 3.4Å; T165-Q168 WeakPolarHBondContact O-CB 3.44Å; T165-Q168 PolarHBondContact O-N 2.9Å; T165-T169 PolarHBondContact O-N 2.97Å; T165-T169 PolarHBondContact O-OG1 3.43Å; T165-T169 VanDerWaalsContact O-OG1 3.07Å
166I91.5Very high87.4Confident1 Ų149.4 Ų49.41%0.00526%0.261CS..Hα-helixtrans-60.2-45.9178.2-73159.2000111L95 Q98 L99 L102 M162 V163 Q168 T169 I170 L231L95-I166 HydrophobicContact CD1-CG2 3.81Å; Q98-I166 HydrophobicContact CB-CD1 4.05Å; Q98-I166 HydrophobicContact CB-CG1 3.59Å; Q98-I166 HydrophobicContact CG-CG1 4.46Å; L99-I166 HydrophobicContact CD2-CD1 4.29Å; L99-I166 HydrophobicContact CD2-CG2 4.13Å; L102-I166 HydrophobicContact CB-CD1 3.97Å; L102-I166 HydrophobicContact CD2-CD1 3.61Å; L102-I166 HydrophobicContact CG-CD1 4.32Å; M162-I166 WeakPolarHBondContact O-CG1 3.45Å; M162-I166 PolarHBondContact O-N 2.91Å; V163-I166 PolarHBondContact O-N 3.43Å; I166-Q168 VanDerWaalsContact C-N 3.3Å; I166-Q168 PolarHBondContact O-N 2.84Å; I166-T169 WeakPolarHBondContact O-CB 3.47Å; I166-T169 PolarHBondContact O-N 3.35Å; I166-T169 VanDerWaalsContact O-N 3.12Å; I166-I170 HydrophobicContact CG2-CD1 3.67Å; I166-I170 HydrophobicContact CG2-CG1 4.36Å; I166-I170 VanDerWaalsContact O-CG1 3.32Å; I166-I170 WeakPolarHBondContact O-CG1 3.11Å; I166-I170 PolarHBondContact O-N 2.89Å; I166-L231 HydrophobicContact CB-CD2 4.25Å; I166-L231 HydrophobicContact CD1-CD2 4.33Å; I166-L231 HydrophobicContact CG2-CD1 3.92Å; I166-L231 HydrophobicContact CG2-CD2 3.66Å; I166-L231 HydrophobicContact CG2-CG 4.49Å
167K89.3Confident85.9Confident39 Ų3950.2 Ų50.217%0.1727%0.267CS..Hα-helixtrans-55.1-45.9175-79.2173.3160.8-139.90111.7E76 F81 V163 T165 I170 Q171 L231E76-K167 WeakPolarHBondContact OE2-CD 3.36Å; E76-K167 IonicContact OE2-NZ 2.81Å; E76-K167 PolarHBondContact OE2-NZ 3.08Å; F81-K167 HydrophobicContact CE1-CG 3.76Å; F81-K167 HydrophobicContact CZ-CB 4.46Å; F81-K167 HydrophobicContact CZ-CG 4.09Å; V163-K167 HydrophobicContact CG1-CD 4Å; V163-K167 HydrophobicContact CG1-CG 4.36Å; V163-K167 WeakPolarHBondContact O-CB 3.33Å; V163-K167 WeakPolarHBondContact O-CG 3.27Å; V163-K167 PolarHBondContact O-N 3.32Å; T165-K167 PolarHBondContact O-N 3.4Å; K167-I170 PolarHBondContact O-N 3.41Å; K167-Q171 VanDerWaalsContact O-CG 3.3Å; K167-Q171 WeakPolarHBondContact O-CG 3.34Å; K167-Q171 PolarHBondContact O-N 2.87Å; K167-L231 WeakPolarHBondContact CE-O 3.46Å
168Q88.5Confident84.3Confident105 Ų10548.5 Ų48.549%0.49126%0.259SS..Hα-helixtrans-64-40.5176-69.8174.2-9.200112.9K164 T165 I166 Q171 S172K164-Q168 WeakPolarHBondContact O-CG 3.04Å; K164-Q168 PolarHBondContact O-N 3.27Å; K164-Q168 VanDerWaalsContact O-N 3.16Å; T165-Q168 WeakPolarHBondContact O-CB 3.44Å; T165-Q168 PolarHBondContact O-N 2.9Å; I166-Q168 VanDerWaalsContact C-N 3.3Å; I166-Q168 PolarHBondContact O-N 2.84Å; Q168-Q171 PolarHBondContact O-N 3.32Å; Q168-S172 WeakPolarHBondContact O-CB 3.32Å; Q168-S172 PolarHBondContact O-N 3.15Å; Q168-S172 PolarHBondContact O-OG 3.18Å
169T89.7Confident82.4Confident23 Ų2355.9 Ų55.914%0.14129%0.285CS..Hα-helixtrans-60.3-48.7175.1-55.40000110.4L95 Q98 T165 I166 Q171 S172 E173L95-T169 HydrophobicContact CB-CG2 4.1Å; L95-T169 HydrophobicContact CD1-CG2 4.13Å; Q98-T169 PolarHBondContact NE2-OG1 3.2Å; Q98-T169 PolarHBondContact OE1-OG1 3.35Å; T165-T169 PolarHBondContact O-N 2.97Å; T165-T169 PolarHBondContact O-OG1 3.43Å; T165-T169 VanDerWaalsContact O-OG1 3.07Å; I166-T169 WeakPolarHBondContact O-CB 3.47Å; I166-T169 PolarHBondContact O-N 3.35Å; I166-T169 VanDerWaalsContact O-N 3.12Å; T169-Q171 PolarHBondContact O-N 3.35Å; T169-S172 WeakPolarHBondContact O-CB 3.49Å; T169-S172 PolarHBondContact O-N 3.35Å; T169-E173 WeakPolarHBondContact O-CG 3.47Å; T169-E173 PolarHBondContact O-N 2.91Å
170I86.8Confident80.3Confident0 Ų061.9 Ų61.90%031%0.311CS..Hα-helixtrans-59.7-49178.4-66.2162.1000110.7F81 I88 L95 I166 K167 S172 E173 L174 L231F81-I170 HydrophobicContact CE1-CD1 3.77Å; F81-I170 HydrophobicContact CE2-CB 4.35Å; F81-I170 HydrophobicContact CE2-CG2 3.62Å; F81-I170 HydrophobicContact CZ-CB 3.95Å; F81-I170 HydrophobicContact CZ-CD1 3.74Å; F81-I170 HydrophobicContact CZ-CG1 4.48Å; F81-I170 HydrophobicContact CZ-CG2 3.72Å; I88-I170 HydrophobicContact CD1-CG2 4.06Å; L95-I170 HydrophobicContact CD1-CD1 4.41Å; L95-I170 HydrophobicContact CD1-CG1 3.89Å; L95-I170 HydrophobicContact CD2-CG1 3.93Å; I166-I170 HydrophobicContact CG2-CD1 3.67Å; I166-I170 HydrophobicContact CG2-CG1 4.36Å; I166-I170 VanDerWaalsContact O-CG1 3.32Å; I166-I170 WeakPolarHBondContact O-CG1 3.11Å; I166-I170 PolarHBondContact O-N 2.89Å; K167-I170 PolarHBondContact O-N 3.41Å; I170-S172 VanDerWaalsContact C-N 3.26Å; I170-S172 PolarHBondContact O-N 2.67Å; I170-E173 PolarHBondContact O-N 3.4Å; I170-E173 VanDerWaalsContact O-N 3.15Å; I170-L174 HydrophobicContact CG2-CD1 3.79Å; I170-L174 HydrophobicContact CG2-CG 4.23Å; I170-L174 WeakPolarHBondContact O-CG 3.42Å; I170-L174 PolarHBondContact O-N 3.05Å; I170-L231 HydrophobicContact CD1-CD1 3.76Å
171Q84.1Confident78.3Confident58 Ų5864.3 Ų64.327%0.27132%0.32SS..Hα-helixtrans-59.2-39.1178.2-71.6-61.9-26.700112.1K167 Q168 T169 C175K167-Q171 VanDerWaalsContact O-CG 3.3Å; K167-Q171 WeakPolarHBondContact O-CG 3.34Å; K167-Q171 PolarHBondContact O-N 2.87Å; Q168-Q171 PolarHBondContact O-N 3.32Å; T169-Q171 PolarHBondContact O-N 3.35Å; Q171-C175 WeakPolarHBondContact O-CB 3.39Å; Q171-C175 PolarHBondContact O-N 2.87Å; Q171-C175 PolarHBondContact O-SG 2.9Å
172S85.3Confident76.2Confident62 Ų6269.2 Ų69.243%0.43434%0.337SS..Hα-helixtrans-65.5-42.3176.4-590000112Q168 T169 I170 C175 K176Q168-S172 WeakPolarHBondContact O-CB 3.32Å; Q168-S172 PolarHBondContact O-N 3.15Å; Q168-S172 PolarHBondContact O-OG 3.18Å; T169-S172 WeakPolarHBondContact O-CB 3.49Å; T169-S172 PolarHBondContact O-N 3.35Å; I170-S172 VanDerWaalsContact C-N 3.26Å; I170-S172 PolarHBondContact O-N 2.67Å; S172-C175 PolarHBondContact O-N 2.91Å; S172-K176 WeakPolarHBondContact O-CG 3.06Å; S172-K176 PolarHBondContact O-N 2.95Å; S172-K176 VanDerWaalsContact O-N 3.07Å
173E83Confident73.8Confident35 Ų3574.5 Ų74.516%0.16437%0.366CS..Hα-helixtrans-67.4-41.5177.5-69.4-59.3119.400112.3I88 N92 T169 I170 C175 K176 S177I88-E173 HydrophobicContact CG2-CB 4.14Å; I88-E173 HydrophobicContact CG2-CG 4.24Å; N92-E173 VanDerWaalsContact ND2-CG 3.32Å; N92-E173 WeakPolarHBondContact ND2-CG 3.47Å; N92-E173 PolarHBondContact ND2-OE1 2.97Å; N92-E173 PolarHBondContact ND2-OE2 3.08Å; N92-E173 VanDerWaalsContact ND2-OE2 3.14Å; T169-E173 WeakPolarHBondContact O-CG 3.47Å; T169-E173 PolarHBondContact O-N 2.91Å; I170-E173 PolarHBondContact O-N 3.4Å; I170-E173 VanDerWaalsContact O-N 3.15Å; E173-C175 VanDerWaalsContact C-N 3.32Å; E173-C175 PolarHBondContact O-N 3.42Å; E173-K176 PolarHBondContact O-N 3.16Å; E173-K176 IonicContact OE1-NZ 2.69Å; E173-K176 PolarHBondContact OE1-NZ 2.87Å; E173-S177 PolarHBondContact O-N 3.23Å
174L79.5Confident71.2Confident14 Ų1477.9 Ų77.97%0.07340%0.4CS..Hα-helixtrans-62.7-38.3174.8-68.3174.3000111.6Y69 I74 I88 I170Y69-L174 HydrophobicContact CD1-CD2 3.95Å; Y69-L174 HydrophobicContact CG-CD2 4.23Å; I74-L174 HydrophobicContact CB-CD1 4.3Å; I88-L174 HydrophobicContact CD1-CD2 4.11Å; I88-L174 HydrophobicContact CD1-CG 4.35Å; I170-L174 HydrophobicContact CG2-CD1 3.79Å; I170-L174 HydrophobicContact CG2-CG 4.23Å; I170-L174 WeakPolarHBondContact O-CG 3.42Å; I170-L174 PolarHBondContact O-N 3.05Å
175C76.2Confident68.5Low60 Ų6081.9 Ų81.941%0.40542%0.42SS..Hα-helixtrans-69.6-35176.2-72.40000113.6Q171 S172 E173 S177 Q178Q171-C175 WeakPolarHBondContact O-CB 3.39Å; Q171-C175 PolarHBondContact O-N 2.87Å; Q171-C175 PolarHBondContact O-SG 2.9Å; S172-C175 PolarHBondContact O-N 2.91Å; E173-C175 VanDerWaalsContact C-N 3.32Å; E173-C175 PolarHBondContact O-N 3.42Å; C175-S177 VanDerWaalsContact C-N 3.32Å; C175-S177 PolarHBondContact O-N 3.38Å; C175-Q178 PolarHBondContact O-N 3.04Å
176K69.6Low65.7Low120 Ų12087 Ų8752%0.52245%0.445SS..Hα-helixtrans-63.1-39.1178.7-76.3171.7-172.31730111.8S172 E173 Q178 R179S172-K176 WeakPolarHBondContact O-CG 3.06Å; S172-K176 PolarHBondContact O-N 2.95Å; S172-K176 VanDerWaalsContact O-N 3.07Å; E173-K176 PolarHBondContact O-N 3.16Å; E173-K176 IonicContact OE1-NZ 2.69Å; E173-K176 PolarHBondContact OE1-NZ 2.87Å; K176-Q178 VanDerWaalsContact C-N 3.25Å; K176-Q178 PolarHBondContact O-N 3.2Å; K176-R179 PolarHBondContact O-N 2.98Å
177S59.7Low62.6Low39 Ų3994.3 Ų94.327%0.27348%0.483SS..Hα-helixtrans-63.4-30.4178.8-66.20000112.7E173 C175E173-S177 PolarHBondContact O-N 3.23Å; C175-S177 VanDerWaalsContact C-N 3.32Å; C175-S177 PolarHBondContact O-N 3.38Å
178Q57.3Low59.7Low75 Ų7599.7 Ų99.735%0.3551%0.51SS..Hα-helixtrans-73.7-33.6177.7-68.1175.8-18.100113.6C175 K176 K180 E181C175-Q178 PolarHBondContact O-N 3.04Å; K176-Q178 VanDerWaalsContact C-N 3.25Å; K176-Q178 PolarHBondContact O-N 3.2Å; Q178-K180 VanDerWaalsContact C-N 3.29Å; Q178-K180 PolarHBondContact O-N 3.32Å; Q178-E181 PolarHBondContact O-N 3.42Å
179R51.5Low56.9Low192 Ų192102.4 Ų102.473%0.72552%0.523SS*.Hα-helixtrans-69.6-29.3-179.6-68.4-175-177.4175.71.1112.3K176 E181 N182 D183K176-R179 PolarHBondContact O-N 2.98Å; R179-E181 PolarHBondContact O-N 3.37Å; R179-N182 PolarHBondContact O-N 2.84Å; R179-D183 PolarHBondContact O-N 3.36Å
180K49.1Very low54Low168 Ų168108.3 Ų108.373%0.7355%0.552SS**Hα-helixtrans-66.8-20.2-179.8-69.7-167.1177.9-173.60114.1Q178Q178-K180 VanDerWaalsContact C-N 3.29Å; Q178-K180 PolarHBondContact O-N 3.32Å
181E48.7Very low51.3Low136 Ų136114.1 Ų114.164%0.63658%0.583SS**Hα-helixtrans-79.7-26.6173.7-81.6-176.1174.100113.3Q178 R179Q178-E181 PolarHBondContact O-N 3.42Å; R179-E181 PolarHBondContact O-N 3.37Å
182N45.9Very low48.7Very low141 Ų141115.7 Ų115.775%0.75460%0.601SS**Hα-helixtrans-82.2-25.7179.7-74.7-38.2000113.1R179R179-N182 PolarHBondContact O-N 2.84Å
183D42Very low45.9Very low127 Ų127120 Ų12068%0.67962%0.619SS**  trans-109.866.1179.7-61-26.6000110R179 Q185R179-D183 PolarHBondContact O-N 3.36Å; D183-Q185 PolarHBondContact O-N 3.01Å
184G35.1Very low43.3Very low71 Ų71123.1 Ų123.173%0.73265%0.651SS**THydrogen-bonded Turntrans-66.243.5-177.100000116.3
185Q34.1Very low40.8Very low189 Ų189128.3 Ų128.388%0.88368%0.683SS**THydrogen-bonded Turntrans-153.626.7-175.7-117.9164.752.800117.2D183D183-Q185 PolarHBondContact O-N 3.01Å
186L31.9Very low38.5Very low173 Ų173136.2 Ų136.291%0.90671%0.705SS**  trans-114.691.9164-151.774000111.3M188L186-M188 PolarHBondContact O-N 2.81Å
187L26.8Very low36.6Very low153 Ų153138 Ų13880%0.80172%0.72SS**  trans-50.4126.8164.8-153.386.2000109.6E189L187-E189 PolarHBondContact O-N 3.08Å
188M28.3Very low35Very low152 Ų152143.5 Ų143.575%0.74975%0.745SS**  trans9.9104.1148.9-176.5179.957.600117.2L186L186-M188 PolarHBondContact O-N 2.81Å
189E30.1Very low33.6Very low162 Ų162145.2 Ų145.276%0.75776%0.762SS**  trans-132.9101.1149.4-102.5171.5177.300107.8L187 D191L187-E189 PolarHBondContact O-N 3.08Å; E189-D191 PolarHBondContact O-N 3.42Å
190I29.5Very low32.3Very low147 Ų147141.8 Ų141.875%0.75476%0.763SS**  trans-73.878.7162.1-61.5167.7000105S192I190-S192 PolarHBondContact O-N 2.96Å
191D29.9Very low31.5Very low122 Ų122142.6 Ų142.665%0.65277%0.766SS**  trans-7288.3172-86.3-19.8000108.7E189 N193E189-D191 PolarHBondContact O-N 3.42Å; D191-N193 PolarHBondContact O-N 3.41Å; D191-N193 VanDerWaalsContact O-N 3.15Å
192S28.7Very low30.4Very low91 Ų91143.3 Ų143.364%0.63677%0.774SS**  trans-59.5108.1149.4-58.50000106.2I190I190-S192 PolarHBondContact O-N 2.96Å
193N28.1Very low29.4Very low153 Ų153144.4 Ų144.482%0.81878%0.78SS**  trans125.273164.7-57.5-24.9000113.7D191D191-N193 PolarHBondContact O-N 3.41Å; D191-N193 VanDerWaalsContact O-N 3.15Å
194A27.7Very low28.7Very low101 Ų101145.7 Ų145.784%0.83579%0.785SS**  trans-120.776.8159.600000110
195T26.2Very low28.2Very low123 Ų123149.6 Ų149.676%0.75579%0.789SS**  trans-61.1136.3157.9-23.30000108.9
196R28.4Very low28Very low226 Ų226144.8 Ų144.885%0.85377%0.774SS**  trans66.9105.3167.1-67.6176.4173160.4-1.9116.7
197D29.1Very low27.7Very low158 Ų158146.3 Ų146.385%0.84577%0.773SS**  -164.2123.4109.9-98.1-25000110.1P199D197-P199 VanDerWaalsContact O-CD 3.24Å; D197-P199 WeakPolarHBondContact O-CD 3.4Å
198I26.1Very low27.7Very low154 Ų154146.1 Ų146.179%0.7977%0.771SS**  trans-81113.2177.5-63.5165.1000106.9T200I198-T200 PolarHBondContact O-N 3.34Å; I198-T200 VanDerWaalsContact O-N 3.1Å
199P28.5Very low27.4Very low111 Ų111144.4 Ų144.472%0.72177%0.772SS**  trans-82.693.7175.5-5.625.6000108.7D197 K201D197-P199 VanDerWaalsContact O-CD 3.24Å; D197-P199 WeakPolarHBondContact O-CD 3.4Å; P199-K201 VanDerWaalsContact C-N 3.33Å; P199-K201 PolarHBondContact O-N 3.27Å
200T24Very low27.2Very low120 Ų120145.4 Ų145.474%0.73678%0.776SS**  trans-71.888.3165-38.70000108.3I198I198-T200 PolarHBondContact O-N 3.34Å; I198-T200 VanDerWaalsContact O-N 3.1Å
201K31.4Very low26.8Very low185 Ų185147.6 Ų147.680%0.80478%0.783SS**  trans-128.8105.3170.8-71.3-171.8-178.8177.60111P199 L203P199-K201 VanDerWaalsContact C-N 3.33Å; P199-K201 PolarHBondContact O-N 3.27Å; K201-L203 PolarHBondContact O-N 3.49Å
202N26.1Very low26.6Very low150 Ų150149.9 Ų149.980%0.80279%0.794SS**  trans-41.6124.4167.8-58.1-50.1000112.1
203L26.2Very low26.4Very low165 Ų165154.8 Ų154.886%0.86480%0.804SS**  trans-111.1105.7166-95.3153.8000108.9K201K201-L203 PolarHBondContact O-N 3.49Å
204I27.4Very low26.2Very low153 Ų153153.7 Ų153.779%0.78581%0.805SS**PPolyproline II helixtrans-62.9132.6175.5-68.9157.7000109.3P206I204-P206 WeakPolarHBondContact O-CD 3.47Å
205N24.5Very low26Very low154 Ų154154.4 Ų154.482%0.82480%0.804SS**PPolyproline II helixtrans-53.5120.2174.9-83.7-21.1000111.5K207N205-K207 PolarHBondContact O-N 3.03Å
206P29.8Very low25.9Very low88 Ų88153.1 Ų153.157%0.57180%0.799SS**PPolyproline II helixtrans-74.9124.4172.928.4-29000109.9I204 I208I204-P206 WeakPolarHBondContact O-CD 3.47Å; P206-I208 PolarHBondContact O-N 3.48Å
207K24.3Very low25.7Very low204 Ų204152 Ų15289%0.88780%0.801SS**PPolyproline II helixtrans-62.3117.3174.7-169.1169.3-176.4176.60109.9N205N205-K207 PolarHBondContact O-N 3.03Å
208I27.2Very low25.5Very low149 Ų149151.2 Ų151.276%0.76480%0.797SS**PPolyproline II helixtrans-71.8128.4-179.2-62.7167.9000109.9P206P206-I208 PolarHBondContact O-N 3.48Å
209P23.1Very low25.4Very low116 Ų116149.6 Ų149.675%0.75379%0.794SS**PPolyproline II helixtrans-74.1144.1166.7-1631.7000112.2
210H25.3Very low25.2Very low184 Ų184150.5 Ų150.585%0.85280%0.798SS**PPolyproline II helixtrans-68.6160-175.4-71.9-94.2000114.7
211E20.8Very low25.3Very low192 Ų192150 Ų15090%0.89780%0.795SS**  trans90.189.6145.9-135.7171.7-150.700117.6
212I26.3Very low25.3Very low171 Ų171145.8 Ų145.888%0.87779%0.788SS**  trans-133131.7160.7-55.8179.6000110
213K23.6Very low25.8Very low194 Ų194142.3 Ų142.384%0.84378%0.776SS**  trans-74.4145.9-175-134.4173.3-179.3-179.10111.6
214P24.3Very low26.4Very low130 Ų130139.1 Ų139.184%0.84477%0.768SS**  trans-71.4131.9179.328-35000112.4
215S23.5Very low27.7Very low116 Ų116133.5 Ų133.581%0.81174%0.742SS**  trans-130.4147.7170.6-174.30000110.5
216S24.6Very low30Very low95 Ų95127.5 Ų127.566%0.66471%0.712SS**  trans-45.5137.2-165.852.20000119.2D218S216-D218 PolarHBondContact O-N 2.8Å
217F23.9Very low32.4Very low202 Ų202123.4 Ų123.489%0.88669%0.685SS**  trans9.6100.5141.4-109-97000117.3
218D24.3Very low34.8Very low143 Ų143114.6 Ų114.677%0.76565%0.648SS**  trans-118.9121158.4-79.8-36.7000110.1S216 V220S216-D218 PolarHBondContact O-N 2.8Å; D218-V220 PolarHBondContact O-N 3.36Å
219T23.7Very low37.1Very low119 Ų119113.1 Ų113.173%0.7364%0.637SS**  trans-58.3119.6171.4-61.40000109.5T221T219-T221 VanDerWaalsContact C-N 3.27Å; T219-T221 PolarHBondContact O-N 3.44Å; T219-T221 PolarHBondContact O-OG1 3.41Å
220V24.4Very low40Very low130 Ų130108 Ų10879%0.78860%0.603SS**  trans-64.190.6175.3-175.50000108.4D218 S222D218-V220 PolarHBondContact O-N 3.36Å; V220-S222 PolarHBondContact O-N 3.13Å
221T26.8Very low42.7Very low110 Ų11099.2 Ų99.268%0.67556%0.563SS**  trans-68.2121.9170.7-60.30000106.2T219 S223T219-T221 VanDerWaalsContact C-N 3.27Å; T219-T221 PolarHBondContact O-N 3.44Å; T219-T221 PolarHBondContact O-OG1 3.41Å; T221-S223 PolarHBondContact O-N 3.24Å
222S31.4Very low45.1Very low96 Ų9693.4 Ų93.467%0.67154%0.538SS*.  trans-62.371.9168.9-48.40000109.1V220 S224V220-S222 PolarHBondContact O-N 3.13Å; S222-S224 PolarHBondContact O-N 3.39Å
223S35.5Very low46.8Very low78 Ų7888 Ų8855%0.54551%0.511SS..  trans-59.7131.9170.559.90000105.9T221 S225T221-S223 PolarHBondContact O-N 3.24Å; S223-S225 PolarHBondContact O-N 3.43Å; S223-S225 PolarHBondContact O-OG 3.45Å
224S39.6Very low47.9Very low98 Ų9885.8 Ų85.869%0.68551%0.508SS*.  trans-46.195159-174.10000107.2S222 S226S222-S224 PolarHBondContact O-N 3.39Å; S224-S226 PolarHBondContact O-N 3.13Å
225S54.2Low48.7Very low35 Ų3586.5 Ų86.525%0.24550%0.504CS..  trans-70.784.5-166.8-64.50000108.1S223 W227S223-S225 PolarHBondContact O-N 3.43Å; S223-S225 PolarHBondContact O-OG 3.45Å; S225-W227 PolarHBondContact O-N 3.24Å
226S73.1Confident49.5Very low28 Ų2885.6 Ų85.620%0.19650%0.498CS..  trans-65.8129.4173.9-177.10000107.5E20 S224 N228 H229E20-S226 WeakPolarHBondContact OE1-CA 3.48Å; E20-S226 WeakPolarHBondContact OE1-CB 3.3Å; E20-S226 PolarHBondContact OE1-OG 2.98Å; S224-S226 PolarHBondContact O-N 3.13Å; S226-N228 PolarHBondContact O-N 2.84Å; S226-N228 WeakPolarHBondContact OG-CB 3.25Å; S226-N228 PolarHBondContact OG-N 3.07Å; S226-N228 PolarHBondContact OG-ND2 3.17Å; S226-N228 VanDerWaalsContact OG-ND2 3.13Å; S226-H229 PolarHBondContact O-N 3Å; S226-H229 VanDerWaalsContact O-N 3.14Å
227W79.9Confident50.5Low2 Ų286 Ų861%0.00849%0.489CS..G310 helixtrans-62.2-18.4178.3-62.7130000112.1E20 M23 D24 Y86 V103 D106 L107 S225 H229 I230E20-W227 HydrophobicContact CG-CB 4.38Å; E20-W227 HydrophobicContact CG-CG 4.29Å; M23-W227 HydrophobicContact SD-CB 4.38Å; M23-W227 HydrophobicContact SD-CG 4.48Å; D24-W227 PolarHBondContact OD1-NE1 2.93Å; Y86-W227 WeakPolarHBondContact OH-CB 3.45Å; Y86-W227 PolarHBondContact OH-O 3.39Å; V103-W227 HydrophobicContact CB-CH2 4.43Å; V103-W227 HydrophobicContact CB-CZ2 4.36Å; V103-W227 HydrophobicContact CG1-CD2 4.33Å; V103-W227 HydrophobicContact CG1-CH2 4.03Å; V103-W227 HydrophobicContact CG1-CZ2 3.56Å; V103-W227 HydrophobicContact CG2-CD2 3.77Å; V103-W227 HydrophobicContact CG2-CE3 3.9Å; V103-W227 HydrophobicContact CG2-CG 4.16Å; V103-W227 HydrophobicContact CG2-CH2 4.46Å; V103-W227 HydrophobicContact CG2-CZ2 4.38Å; V103-W227 HydrophobicContact CG2-CZ3 4.2Å; D106-W227 HydrophobicContact CB-CH2 3.67Å; D106-W227 HydrophobicContact CB-CZ3 3.51Å; D106-W227 WeakPolarHBondContact OD2-CH2 3.42Å; D106-W227 WeakPolarHBondContact OD2-CZ3 3.48Å; L107-W227 HydrophobicContact CD1-CZ2 4.35Å; L107-W227 HydrophobicContact CD2-CH2 4.2Å; L107-W227 HydrophobicContact CD2-CZ2 3.75Å; L107-W227 HydrophobicContact CG-CH2 3.95Å; L107-W227 HydrophobicContact CG-CZ2 3.68Å; S225-W227 PolarHBondContact O-N 3.24Å; W227-H229 PolarHBondContact O-N 3.42Å; W227-I230 HydrophobicContact CD2-CD1 4.33Å; W227-I230 HydrophobicContact CE3-CB 4.08Å; W227-I230 HydrophobicContact CE3-CD1 3.32Å; W227-I230 HydrophobicContact CE3-CG1 3.72Å; W227-I230 HydrophobicContact CZ3-CD1 3.49Å; W227-I230 VanDerWaalsContact CZ3-CD1 3.49Å; W227-I230 HydrophobicContact CZ3-CG1 3.91Å; W227-I230 VanDerWaalsContact O-CB 3.28Å; W227-I230 WeakPolarHBondContact O-CB 3.48Å; W227-I230 VanDerWaalsContact O-CG2 3.26Å; W227-I230 WeakPolarHBondContact O-CG2 3.49Å; W227-I230 PolarHBondContact O-N 3.4Å
228N74.3Confident51.1Low19 Ų1982.3 Ų82.310%0.10248%0.484CS..G310 helixtrans-54.7-17.3172.8-72.7-49.2000114.7S16 S82 S226S16-N228 WeakPolarHBondContact CB-ND2 3.16Å; S82-N228 WeakPolarHBondContact CB-O 3.5Å; S82-N228 PolarHBondContact OG-O 2.85Å; S226-N228 PolarHBondContact O-N 2.84Å; S226-N228 WeakPolarHBondContact OG-CB 3.25Å; S226-N228 PolarHBondContact OG-N 3.07Å; S226-N228 PolarHBondContact OG-ND2 3.17Å; S226-N228 VanDerWaalsContact OG-ND2 3.13Å
229H76.7Confident52.1Low117 Ų11777.8 Ų77.854%0.54246%0.459SS..G310 helixtrans-113.811.2176.2-58.9-53.9000114S226 W227 L231 N232S226-H229 PolarHBondContact O-N 3Å; S226-H229 VanDerWaalsContact O-N 3.14Å; W227-H229 PolarHBondContact O-N 3.42Å; H229-L231 PolarHBondContact O-N 2.94Å; H229-L231 VanDerWaalsContact O-N 3.11Å; H229-N232 PolarHBondContact ND1-ND2 3.44Å; H229-N232 WeakPolarHBondContact O-CB 3.33Å; H229-N232 PolarHBondContact O-N 2.94Å
230I83.1Confident52.7Low9 Ų980 Ų805%0.04646%0.461CS..THydrogen-bonded Turntrans-60.7-27.1-173.3-156.8-179.1000113.5L102 V103 W227L102-I230 HydrophobicContact CB-CD1 4.21Å; L102-I230 HydrophobicContact CD2-CB 4.46Å; L102-I230 HydrophobicContact CD2-CD1 3.64Å; L102-I230 HydrophobicContact CD2-CG1 3.74Å; L102-I230 HydrophobicContact CD2-CG2 4.07Å; L102-I230 HydrophobicContact CG-CD1 3.52Å; L102-I230 HydrophobicContact CG-CG1 3.95Å; V103-I230 HydrophobicContact CB-CD1 4.48Å; V103-I230 HydrophobicContact CG2-CD1 3.61Å; W227-I230 HydrophobicContact CD2-CD1 4.33Å; W227-I230 HydrophobicContact CE3-CB 4.08Å; W227-I230 HydrophobicContact CE3-CD1 3.32Å; W227-I230 HydrophobicContact CE3-CG1 3.72Å; W227-I230 HydrophobicContact CZ3-CD1 3.49Å; W227-I230 VanDerWaalsContact CZ3-CD1 3.49Å; W227-I230 HydrophobicContact CZ3-CG1 3.91Å; W227-I230 VanDerWaalsContact O-CB 3.28Å; W227-I230 WeakPolarHBondContact O-CB 3.48Å; W227-I230 VanDerWaalsContact O-CG2 3.26Å; W227-I230 WeakPolarHBondContact O-CG2 3.49Å; W227-I230 PolarHBondContact O-N 3.4Å
231L82.3Confident53.2Low0 Ų081.7 Ų81.70%046%0.46CS..THydrogen-bonded Turntrans-88.9-7.6178-56.8-174.1000113.8F81 L99 L102 V163 I166 K167 I170 H229 L233F81-L231 HydrophobicContact CD1-CD1 4.04Å; F81-L231 HydrophobicContact CE1-CD1 3.85Å; L99-L231 HydrophobicContact CD2-CD2 4.37Å; L102-L231 HydrophobicContact CD2-CD2 3.74Å; V163-L231 HydrophobicContact CG1-CB 4.33Å; V163-L231 HydrophobicContact CG1-CD2 4.11Å; V163-L231 HydrophobicContact CG2-CD2 4.31Å; I166-L231 HydrophobicContact CB-CD2 4.25Å; I166-L231 HydrophobicContact CD1-CD2 4.33Å; I166-L231 HydrophobicContact CG2-CD1 3.92Å; I166-L231 HydrophobicContact CG2-CD2 3.66Å; I166-L231 HydrophobicContact CG2-CG 4.49Å; K167-L231 WeakPolarHBondContact CE-O 3.46Å; I170-L231 HydrophobicContact CD1-CD1 3.76Å; H229-L231 PolarHBondContact O-N 2.94Å; H229-L231 VanDerWaalsContact O-N 3.11Å; L231-L233 PolarHBondContact O-N 2.92Å
232N72.6Confident53.6Low69 Ų6983.1 Ų83.137%0.36946%0.459SS..  trans-82.396.5178.6-67.6-9000109H229 N234H229-N232 PolarHBondContact ND1-ND2 3.44Å; H229-N232 WeakPolarHBondContact O-CB 3.33Å; H229-N232 PolarHBondContact O-N 2.94Å; N232-N234 PolarHBondContact O-N 3.47Å
233L60.2Low53.5Low59 Ų5988 Ų8831%0.30947%0.469SS..  trans-76.882.8163.4-85.978.3000108.2N160 V163 L231 N235N160-L233 HydrophobicContact CB-CD2 4.25Å; N160-L233 WeakPolarHBondContact OD1-CD2 3.4Å; V163-L233 HydrophobicContact CB-CD1 3.53Å; V163-L233 HydrophobicContact CG1-CD1 3.24Å; V163-L233 HydrophobicContact CG2-CD1 3.77Å; L231-L233 PolarHBondContact O-N 2.92Å; L233-N235 VanDerWaalsContact C-N 3.3Å; L233-N235 PolarHBondContact O-N 2.98Å
234N48.4Very low53.6Low146 Ų14692.2 Ų92.278%0.78147%0.473SS*.  trans-68.8100.9157.6-70.4-18000106.2N232 S236N232-N234 PolarHBondContact O-N 3.47Å; N234-S236 PolarHBondContact O-N 2.78Å
235N39.9Very low53.3Low145 Ų14594.3 Ų94.378%0.77548%0.477SS*.SBendtrans-51.394.2178.8-66.6-38000111.5L233L233-N235 VanDerWaalsContact C-N 3.3Å; L233-N235 PolarHBondContact O-N 2.98Å
236S41.5Very low52.7Low97 Ų9799.4 Ų99.468%0.67850%0.502SS*.  trans-156.62.5167.2-90.60000116.6N234 T238N234-S236 PolarHBondContact O-N 2.78Å; S236-T238 PolarHBondContact O-N 3.23Å
237E45.2Very low51.2Low103 Ų103104.7 Ų104.748%0.48153%0.533SS..  trans-79.366172.8-75.1-178.2-173.500111.4H113 S156 I239H113-E237 IonicContact CE1-OE1 3.69Å; S156-E237 PolarHBondContact OG-OE2 3Å; S156-E237 VanDerWaalsContact OG-OE2 3.07Å; E237-I239 PolarHBondContact O-N 3.1Å
238T36.6Very low49.5Very low126 Ų126110.2 Ų110.277%0.77357%0.567SS**  trans-70.981.1163.516.80000109.3S236 H240S236-T238 PolarHBondContact O-N 3.23Å; T238-H240 PolarHBondContact O-N 3.2Å; T238-H240 VanDerWaalsContact O-N 3.17Å
239I43.7Very low47.9Very low48 Ų48120 Ų12025%0.24660%0.602CS.*  trans-72.8104.5160.7-61174.4000105.9T149 L152 E237 Q241T149-I239 HydrophobicContact CG2-CG2 4.49Å; L152-I239 HydrophobicContact CB-CD1 4.1Å; E237-I239 PolarHBondContact O-N 3.1Å; I239-Q241 PolarHBondContact O-N 3.37Å; I239-Q241 VanDerWaalsContact O-N 3.07Å
240H37Very low46.7Very low166 Ų166117.7 Ų117.777%0.76960%0.598SS**  trans-49.8115.4178.3-90.9-70.8000110.5T238 Q242T238-H240 PolarHBondContact O-N 3.2Å; T238-H240 VanDerWaalsContact O-N 3.17Å; H240-Q242 PolarHBondContact O-N 2.94Å
241Q34.8Very low45.4Very low164 Ų164121.5 Ų121.577%0.76662%0.621SS**  trans-64.985.3164.9-75.2179.7-2.600108.9I239 K243I239-Q241 PolarHBondContact O-N 3.37Å; I239-Q241 VanDerWaalsContact O-N 3.07Å; Q241-K243 PolarHBondContact O-N 3.23Å
242Q35.9Very low44.2Very low141 Ų141128.8 Ų128.866%0.65966%0.655SS**  trans-78.399.6156.6-79.5-169.8-15.300107.1H240 Y244H240-Q242 PolarHBondContact O-N 2.94Å; Q242-Y244 HydrophobicContact CB-CD2 4.14Å; Q242-Y244 HydrophobicContact CB-CE2 3.7Å; Q242-Y244 PolarHBondContact O-N 3.37Å; Q242-Y244 PolarHBondContact OE1-OH 3.19Å
243K29.2Very low43.4Very low199 Ų199127.6 Ų127.687%0.86566%0.659SS**  trans-64.490.7175.4-167.8-176.3-173-174.10109.1Q241Q241-K243 PolarHBondContact O-N 3.23Å
244Y37.4Very low43.7Very low165 Ų165129.5 Ų129.565%0.64767%0.666SS**  trans-92.2114.7162.8-68.6-76.2000108.6Q242 N246Q242-Y244 HydrophobicContact CB-CD2 4.14Å; Q242-Y244 HydrophobicContact CB-CE2 3.7Å; Q242-Y244 PolarHBondContact O-N 3.37Å; Q242-Y244 PolarHBondContact OE1-OH 3.19Å; Y244-N246 PolarHBondContact O-N 2.97Å; Y244-N246 VanDerWaalsContact O-N 3.09Å
245D33Very low44.5Very low142 Ų142126.8 Ų126.876%0.75965%0.651SS**  trans-76.385.5175.5-165.113.1000108.3
246N42.7Very low46Very low143 Ų143125.1 Ų125.177%0.76564%0.641SS**  trans-156.563.5168.3-81.1-36.6000109Y244 V248Y244-N246 PolarHBondContact O-N 2.97Å; Y244-N246 VanDerWaalsContact O-N 3.09Å; N246-V248 PolarHBondContact O-N 3.19Å
247T40.3Very low47.7Very low138 Ų138125.3 Ų125.385%0.84763%0.632SS**  trans-72.278169.143.20000109.9R249T247-R249 PolarHBondContact O-N 3.42Å
248V43.8Very low49Very low119 Ų119121.9 Ų121.972%0.72162%0.615SS**  trans-73.1113.2150.91790000104.9N246 P250N246-V248 PolarHBondContact O-N 3.19Å; V248-P250 WeakPolarHBondContact O-CD 3.48Å
249R41.8Very low51Low225 Ų225118.2 Ų118.285%0.84959%0.589SS**PPolyproline II helixtrans-57.3119.3174.4-175.8177.8-179.8-162.1-1.4107.1T247 T251T247-R249 PolarHBondContact O-N 3.42Å; R249-T251 PolarHBondContact O-N 3.19Å
250P50.7Low52.7Low68 Ų68118.6 Ų118.644%0.44260%0.599SS.*PPolyproline II helixtrans-54.1137.4-179.4-25.733.6000110.3V248 E254 L255V248-P250 WeakPolarHBondContact O-CD 3.48Å; P250-E254 WeakPolarHBondContact CA-OE2 3.47Å; P250-L255 HydrophobicContact CB-CD2 3.8Å; P250-L255 HydrophobicContact CB-CG 3.96Å; P250-L255 HydrophobicContact CG-CD2 4.27Å
251T56.1Low54.7Low89 Ų89113.2 Ų113.255%0.54657%0.574SS.*PPolyproline II helixtrans-67.2148.3174.9-53.40000108.5R249 G253 E254 L255R249-T251 PolarHBondContact O-N 3.19Å; T251-G253 PolarHBondContact O-N 3.34Å; T251-G253 VanDerWaalsContact O-N 3.12Å; T251-E254 PolarHBondContact N-OE2 3.15Å; T251-E254 WeakPolarHBondContact O-CB 3.36Å; T251-E254 PolarHBondContact O-N 3.42Å; T251-L255 PolarHBondContact O-N 3.47Å; T251-L255 VanDerWaalsContact O-N 3.16Å
252E56.9Low56.9Low153 Ų153105.5 Ų105.572%0.71554%0.538SS*.Hα-helixtrans-51.8-36.5177.3-175.3173.2-176.500112.3L255 I256E252-L255 PolarHBondContact O-N 3.36Å; E252-I256 HydrophobicContact CG-CD1 4.28Å; E252-I256 VanDerWaalsContact O-CG1 3.3Å; E252-I256 WeakPolarHBondContact O-CG1 3.36Å; E252-I256 PolarHBondContact O-N 3.08Å; E252-I256 VanDerWaalsContact O-N 3.15Å
253G56.5Low59.2Low43 Ų43104.1 Ų104.144%0.44353%0.526SS..Hα-helixtrans-62.9-40.817400000114.4T251 I256 E257T251-G253 PolarHBondContact O-N 3.34Å; T251-G253 VanDerWaalsContact O-N 3.12Å; G253-I256 PolarHBondContact O-N 2.92Å; G253-E257 PolarHBondContact O-N 2.86Å
254E67Low61.7Low99 Ų99101.5 Ų101.546%0.46352%0.515SS..Hα-helixtrans-68.1-37.3178.9-65.7169.6164.200111P250 T251 I256 E257 K258P250-E254 WeakPolarHBondContact CA-OE2 3.47Å; T251-E254 PolarHBondContact N-OE2 3.15Å; T251-E254 WeakPolarHBondContact O-CB 3.36Å; T251-E254 PolarHBondContact O-N 3.42Å; E254-I256 VanDerWaalsContact C-N 3.33Å; E254-I256 PolarHBondContact O-N 3.15Å; E254-E257 PolarHBondContact O-N 3.2Å; E254-K258 WeakPolarHBondContact O-CB 3.41Å; E254-K258 PolarHBondContact O-N 3.37Å
255L64.7Low63.7Low89 Ų8994.5 Ų94.547%0.46649%0.488SS..Hα-helixtrans-64.1-39.4174.8-67177.7000111.8P250 T251 E252 Q259P250-L255 HydrophobicContact CB-CD2 3.8Å; P250-L255 HydrophobicContact CB-CG 3.96Å; P250-L255 HydrophobicContact CG-CD2 4.27Å; T251-L255 PolarHBondContact O-N 3.47Å; T251-L255 VanDerWaalsContact O-N 3.16Å; E252-L255 PolarHBondContact O-N 3.36Å; L255-Q259 VanDerWaalsContact O-CB 3.29Å; L255-Q259 WeakPolarHBondContact O-CB 3.26Å; L255-Q259 PolarHBondContact O-N 3.49Å
256I72.2Confident66.1Low110 Ų11088.2 Ų88.256%0.56445%0.454SS*.Hα-helixtrans-65.8-47.6176.5-67.3164.8000110.5E252 G253 E254 Q259 A260E252-I256 HydrophobicContact CG-CD1 4.28Å; E252-I256 VanDerWaalsContact O-CG1 3.3Å; E252-I256 WeakPolarHBondContact O-CG1 3.36Å; E252-I256 PolarHBondContact O-N 3.08Å; E252-I256 VanDerWaalsContact O-N 3.15Å; G253-I256 PolarHBondContact O-N 2.92Å; E254-I256 VanDerWaalsContact C-N 3.33Å; E254-I256 PolarHBondContact O-N 3.15Å; I256-Q259 PolarHBondContact O-N 3.37Å; I256-A260 WeakPolarHBondContact O-CB 3.41Å; I256-A260 PolarHBondContact O-N 2.88Å
257E75.8Confident68.1Low102 Ų10284.8 Ų84.848%0.47744%0.436SS..Hα-helixtrans-60.8-46.2177.9-172179.7165.600111.2T141 G253 E254 Q259 A260 F261T141-E257 PolarHBondContact OG1-OE1 3.37Å; G253-E257 PolarHBondContact O-N 2.86Å; E254-E257 PolarHBondContact O-N 3.2Å; E257-Q259 PolarHBondContact O-N 3.48Å; E257-A260 PolarHBondContact O-N 2.88Å; E257-F261 WeakPolarHBondContact O-CB 3.49Å; E257-F261 PolarHBondContact O-N 3.28Å
258K73.9Confident70.1Confident31 Ų3181.2 Ų81.214%0.13541%0.411CS..Hα-helixtrans-58.2-45.5175.8175.4170.8156.9-179.90112.1M151 E154 E254 F261 L262M151-K258 HydrophobicContact CG-CD 3.99Å; M151-K258 HydrophobicContact CG-CG 4.42Å; M151-K258 HydrophobicContact SD-CD 3.79Å; M151-K258 HydrophobicContact SD-CG 3.56Å; M151-K258 VanDerWaalsContact SD-CG 3.56Å; E154-K258 IonicContact OE2-NZ 2.7Å; E154-K258 PolarHBondContact OE2-NZ 3.14Å; E254-K258 WeakPolarHBondContact O-CB 3.41Å; E254-K258 PolarHBondContact O-N 3.37Å; K258-F261 PolarHBondContact O-N 2.96Å; K258-L262 WeakPolarHBondContact O-CG 3.3Å; K258-L262 PolarHBondContact O-N 2.9Å
259Q78.1Confident71.8Confident49 Ų4976.3 Ų76.323%0.22938%0.38CS..Hα-helixtrans-67.3-39.9178.4-17670.2-8.800111.9L255 I256 E257 L262 R263L255-Q259 VanDerWaalsContact O-CB 3.29Å; L255-Q259 WeakPolarHBondContact O-CB 3.26Å; L255-Q259 PolarHBondContact O-N 3.49Å; I256-Q259 PolarHBondContact O-N 3.37Å; E257-Q259 PolarHBondContact O-N 3.48Å; Q259-L262 PolarHBondContact O-N 2.9Å; Q259-R263 WeakPolarHBondContact O-CG 3.3Å; Q259-R263 PolarHBondContact O-N 3.25Å; Q259-R263 VanDerWaalsContact O-N 3.08Å
260A78.3Confident73.7Confident55 Ų5566.6 Ų66.646%0.45535%0.345SS..Hα-helixtrans-64.7-41.1176.200000111.9I256 E257 R263 K264I256-A260 WeakPolarHBondContact O-CB 3.41Å; I256-A260 PolarHBondContact O-N 2.88Å; E257-A260 PolarHBondContact O-N 2.88Å; A260-R263 PolarHBondContact O-N 3.46Å; A260-K264 PolarHBondContact O-N 3.43Å
261F80.2Confident75.3Confident54 Ų5469.1 Ų69.124%0.23735%0.351CS..Hα-helixtrans-58.5-49.8173.7174.5-96000111.5I115 I143 M151 E257 K258 R263 K264 Q265I115-F261 HydrophobicContact CD1-CE1 3.63Å; I115-F261 HydrophobicContact CD1-CZ 3.5Å; I143-F261 HydrophobicContact CD1-CD1 3.55Å; I143-F261 HydrophobicContact CD1-CD2 3.88Å; I143-F261 HydrophobicContact CD1-CE1 3.16Å; I143-F261 HydrophobicContact CD1-CE2 3.52Å; I143-F261 HydrophobicContact CD1-CG 3.89Å; I143-F261 HydrophobicContact CD1-CZ 3.14Å; M151-F261 HydrophobicContact CE-CD1 4.47Å; E257-F261 WeakPolarHBondContact O-CB 3.49Å; E257-F261 PolarHBondContact O-N 3.28Å; K258-F261 PolarHBondContact O-N 2.96Å; F261-R263 VanDerWaalsContact C-N 3.3Å; F261-R263 PolarHBondContact O-N 2.98Å; F261-K264 PolarHBondContact O-N 3.5Å; F261-K264 VanDerWaalsContact O-N 3.15Å; F261-Q265 HydrophobicContact CD1-CG 4.13Å; F261-Q265 HydrophobicContact CD2-CG 4.3Å; F261-Q265 HydrophobicContact CE1-CG 3.69Å; F261-Q265 HydrophobicContact CE2-CG 3.89Å; F261-Q265 HydrophobicContact CG-CG 4.41Å; F261-Q265 HydrophobicContact CZ-CG 3.56Å; F261-Q265 VanDerWaalsContact O-CG 3.28Å; F261-Q265 WeakPolarHBondContact O-CG 3.18Å; F261-Q265 PolarHBondContact O-N 3.28Å
262L79.8Confident76.4Confident1 Ų169.2 Ų69.21%0.00535%0.347CS..Hα-helixtrans-59-40.9178.9-76.6178.5000112.8Q108 L112 M151 K258 Q259 Q265 R266Q108-L262 HydrophobicContact CG-CB 4.4Å; L112-L262 HydrophobicContact CD1-CD2 3.9Å; L112-L262 HydrophobicContact CD2-CD2 3.55Å; L112-L262 HydrophobicContact CG-CD2 3.59Å; M151-L262 HydrophobicContact SD-CD1 4.34Å; M151-L262 HydrophobicContact SD-CD2 4.23Å; M151-L262 HydrophobicContact SD-CG 4.25Å; K258-L262 WeakPolarHBondContact O-CG 3.3Å; K258-L262 PolarHBondContact O-N 2.9Å; Q259-L262 PolarHBondContact O-N 2.9Å; L262-Q265 PolarHBondContact O-N 3.43Å; L262-R266 WeakPolarHBondContact O-CB 3.44Å; L262-R266 PolarHBondContact O-N 2.79Å
263R84.9Confident77.6Confident112 Ų11263.8 Ų63.842%0.42332%0.319SS..Hα-helixtrans-61.1-47.5174.5-71.8173.6178.4-164.2-1111.3Q259 A260 F261 Q265 R266 D267Q259-R263 WeakPolarHBondContact O-CG 3.3Å; Q259-R263 PolarHBondContact O-N 3.25Å; Q259-R263 VanDerWaalsContact O-N 3.08Å; A260-R263 PolarHBondContact O-N 3.46Å; F261-R263 VanDerWaalsContact C-N 3.3Å; F261-R263 PolarHBondContact O-N 2.98Å; R263-Q265 VanDerWaalsContact C-N 3.3Å; R263-Q265 PolarHBondContact O-N 2.91Å; R263-R266 WeakPolarHBondContact O-CB 3.35Å; R263-R266 PolarHBondContact O-N 3.29Å; R263-D267 WeakPolarHBondContact O-CB 3.43Å; R263-D267 PolarHBondContact O-N 3.34Å
264K82.5Confident78.7Confident145 Ų14566.4 Ų66.463%0.6332%0.32SS*.Hα-helixtrans-59.8-40.1178.4-172.5175.2-177.4175.90112.4A260 F261 D267 L268A260-K264 PolarHBondContact O-N 3.43Å; F261-K264 PolarHBondContact O-N 3.5Å; F261-K264 VanDerWaalsContact O-N 3.15Å; K264-D267 PolarHBondContact O-N 3.14Å; K264-L268 PolarHBondContact O-N 3.38Å; K264-L268 VanDerWaalsContact O-N 3.11Å
265Q78.7Confident79.4Confident17 Ų1767.1 Ų67.18%0.07932%0.322CS..Hα-helixtrans-72.9-38.3-179.9-62.4-68-29.200112.2A111 I115 F261 L262 R263 L268 L269A111-Q265 HydrophobicContact CB-CB 3.77Å; I115-Q265 HydrophobicContact CD1-CB 4.02Å; I115-Q265 HydrophobicContact CD1-CG 3.5Å; I115-Q265 VanDerWaalsContact CD1-CG 3.5Å; F261-Q265 HydrophobicContact CD1-CG 4.13Å; F261-Q265 HydrophobicContact CD2-CG 4.3Å; F261-Q265 HydrophobicContact CE1-CG 3.69Å; F261-Q265 HydrophobicContact CE2-CG 3.89Å; F261-Q265 HydrophobicContact CG-CG 4.41Å; F261-Q265 HydrophobicContact CZ-CG 3.56Å; F261-Q265 VanDerWaalsContact O-CG 3.28Å; F261-Q265 WeakPolarHBondContact O-CG 3.18Å; F261-Q265 PolarHBondContact O-N 3.28Å; L262-Q265 PolarHBondContact O-N 3.43Å; R263-Q265 VanDerWaalsContact C-N 3.3Å; R263-Q265 PolarHBondContact O-N 2.91Å; Q265-L268 PolarHBondContact O-N 3.03Å; Q265-L269 PolarHBondContact O-N 3.28Å; Q265-L269 VanDerWaalsContact O-N 3.14Å
266R83.5Confident80Confident11 Ų1169 Ų694%0.04233%0.326CS..Hα-helixtrans-59-48.6170.1177.1-154.862.5-163.9-1.1111.2S28 N104 L107 Q108 L262 R263 L268 L269 I270S28-R266 PolarHBondContact O-NH1 3.32Å; S28-R266 PolarHBondContact OG-NE 3.33Å; S28-R266 PolarHBondContact OG-NH1 3.41Å; S28-R266 PolarHBondContact OG-NH2 2.96Å; N104-R266 WeakPolarHBondContact OD1-CD 3.46Å; N104-R266 PolarHBondContact OD1-NH1 3.01Å; L107-R266 HydrophobicContact CB-CG 3.74Å; L107-R266 HydrophobicContact CD1-CG 4.21Å; Q108-R266 HydrophobicContact CG-CB 4.36Å; L262-R266 WeakPolarHBondContact O-CB 3.44Å; L262-R266 PolarHBondContact O-N 2.79Å; R263-R266 WeakPolarHBondContact O-CB 3.35Å; R263-R266 PolarHBondContact O-N 3.29Å; R266-L268 VanDerWaalsContact C-N 3.29Å; R266-L268 PolarHBondContact O-N 2.82Å; R266-L269 WeakPolarHBondContact O-CB 3.34Å; R266-L269 PolarHBondContact O-N 3.4Å; R266-I270 HydrophobicContact CG-CD1 4.03Å; R266-I270 WeakPolarHBondContact O-CG1 3.41Å; R266-I270 PolarHBondContact O-N 3.14Å
267D85.1Confident80.1Confident71 Ų7166.1 Ų66.138%0.3831%0.308SS..Hα-helixtrans-63.5-37.8-177.2-64.1-15.5000111.3R263 K264 L269 I270 E271R263-D267 WeakPolarHBondContact O-CB 3.43Å; R263-D267 PolarHBondContact O-N 3.34Å; K264-D267 PolarHBondContact O-N 3.14Å; D267-L269 PolarHBondContact O-N 2.67Å; D267-I270 PolarHBondContact O-N 2.94Å; D267-E271 PolarHBondContact O-N 3.37Å
268L81.4Confident80.3Confident63 Ų6366.3 Ų66.333%0.3331%0.309SS..Hα-helixtrans-60.8-41171.4-179.263.5000112.3K264 Q265 R266 E271 M272K264-L268 PolarHBondContact O-N 3.38Å; K264-L268 VanDerWaalsContact O-N 3.11Å; Q265-L268 PolarHBondContact O-N 3.03Å; R266-L268 VanDerWaalsContact C-N 3.29Å; R266-L268 PolarHBondContact O-N 2.82Å; L268-E271 PolarHBondContact O-N 2.77Å; L268-M272 WeakPolarHBondContact O-CG 3.4Å; L268-M272 PolarHBondContact O-N 2.94Å
269L80.2Confident80.4Confident15 Ų1570.7 Ų70.78%0.07933%0.328CS..Hα-helixtrans-64.8-42175.1-78.1-174.9000112.3E110 A111 Q265 R266 D267 E271 M272 R273E110-L269 HydrophobicContact CB-CD1 3.95Å; E110-L269 HydrophobicContact CG-CD1 3.88Å; A111-L269 VanDerWaalsContact CA-CD1 3.48Å; A111-L269 HydrophobicContact CB-CD1 3.67Å; A111-L269 HydrophobicContact CB-CG 4.31Å; A111-L269 VanDerWaalsContact N-CD1 3.33Å; Q265-L269 PolarHBondContact O-N 3.28Å; Q265-L269 VanDerWaalsContact O-N 3.14Å; R266-L269 WeakPolarHBondContact O-CB 3.34Å; R266-L269 PolarHBondContact O-N 3.4Å; D267-L269 PolarHBondContact O-N 2.67Å; L269-E271 VanDerWaalsContact C-N 3.34Å; L269-E271 PolarHBondContact O-N 2.63Å; L269-M272 PolarHBondContact O-N 3.26Å; L269-R273 WeakPolarHBondContact O-CG 3.3Å; L269-R273 PolarHBondContact O-N 3.16Å
270I82.3Confident79.9Confident22 Ų2273.4 Ų73.411%0.11334%0.344CS..Hα-helixtrans-59.6-47.5176.8-67.8166.2000109.9D24 L107 R266 D267 M272 R273 Q274D24-I270 WeakPolarHBondContact O-CD1 3.44Å; L107-I270 HydrophobicContact CD1-CD1 4.12Å; L107-I270 HydrophobicContact CD1-CG1 4.04Å; R266-I270 HydrophobicContact CG-CD1 4.03Å; R266-I270 WeakPolarHBondContact O-CG1 3.41Å; R266-I270 PolarHBondContact O-N 3.14Å; D267-I270 PolarHBondContact O-N 2.94Å; I270-M272 PolarHBondContact O-N 3.4Å; I270-R273 PolarHBondContact O-N 2.74Å; I270-Q274 WeakPolarHBondContact O-CB 3.4Å; I270-Q274 PolarHBondContact O-N 2.93Å
271E83.9Confident79.1Confident120 Ų12077.4 Ų77.456%0.56135%0.351SS*.Hα-helixtrans-58.5-46.3176.8-171.2-168.4164.200111.4D267 L268 L269 R273 Q274 K275D267-E271 PolarHBondContact O-N 3.37Å; L268-E271 PolarHBondContact O-N 2.77Å; L269-E271 VanDerWaalsContact C-N 3.34Å; L269-E271 PolarHBondContact O-N 2.63Å; E271-R273 PolarHBondContact O-N 3.03Å; E271-Q274 PolarHBondContact O-N 3.47Å; E271-K275 WeakPolarHBondContact O-CB 3.42Å; E271-K275 PolarHBondContact O-N 2.86Å
272M79.1Confident78.4Confident92 Ų9277.4 Ų77.445%0.45336%0.361SS..Hα-helixtrans-62.1-41.6177.8-75-172.865.400112.6L268 L269 I270 K276L268-M272 WeakPolarHBondContact O-CG 3.4Å; L268-M272 PolarHBondContact O-N 2.94Å; L269-M272 PolarHBondContact O-N 3.26Å; I270-M272 PolarHBondContact O-N 3.4Å; M272-K276 WeakPolarHBondContact O-CB 3.32Å; M272-K276 PolarHBondContact O-N 3.15Å
273R81.2Confident77.6Confident39 Ų3982.1 Ų82.115%0.14739%0.386CS..Hα-helixtrans-64.6-46.1176.7-77.1179.9172.9-159.7-2.9111.3D24 E110 L269 I270 E271 K276 R277D24-R273 IonicContact OD1-NH1 2.67Å; D24-R273 PolarHBondContact OD1-NH1 3.35Å; D24-R273 IonicContact OD2-NH1 3.91Å; E110-R273 IonicContact OE1-CZ 3.18Å; E110-R273 IonicContact OE1-NE 3.73Å; E110-R273 IonicContact OE1-NH2 2.65Å; E110-R273 PolarHBondContact OE1-NH2 3.27Å; E110-R273 IonicContact OE2-CZ 3.7Å; E110-R273 IonicContact OE2-NH2 3.74Å; E110-R273 PolarHBondContact OE2-NH2 3.48Å; L269-R273 WeakPolarHBondContact O-CG 3.3Å; L269-R273 PolarHBondContact O-N 3.16Å; I270-R273 PolarHBondContact O-N 2.74Å; E271-R273 PolarHBondContact O-N 3.03Å; R273-K276 WeakPolarHBondContact O-CB 3.34Å; R273-K276 PolarHBondContact O-N 3.36Å; R273-R277 WeakPolarHBondContact O-CG 3.42Å; R273-R277 PolarHBondContact O-N 3.08Å
274Q79Confident76.2Confident97 Ų9782.2 Ų82.245%0.45339%0.391SS..Hα-helixtrans-59.7-49.4177.1178.4169.8-7.600111.2I270 E271 K276 R277 E278I270-Q274 WeakPolarHBondContact O-CB 3.4Å; I270-Q274 PolarHBondContact O-N 2.93Å; E271-Q274 PolarHBondContact O-N 3.47Å; Q274-K276 VanDerWaalsContact C-N 3.27Å; Q274-K276 PolarHBondContact O-N 3.33Å; Q274-R277 WeakPolarHBondContact O-CB 3.27Å; Q274-R277 PolarHBondContact O-N 3.14Å; Q274-R277 VanDerWaalsContact O-N 3.08Å; Q274-E278 HydrophobicContact CG-CG 4.49Å; Q274-E278 VanDerWaalsContact CG-OE1 3.32Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.21Å; Q274-E278 PolarHBondContact NE2-OE1 3.26Å; Q274-E278 WeakPolarHBondContact O-CG 3.44Å; Q274-E278 PolarHBondContact O-N 3.49Å
275K82.3Confident74.7Confident114 Ų11479.6 Ų79.650%0.49639%0.387SS..Hα-helixtrans-59.9-35.8176.9-171.5173.8-171.1167.20112.7E271 K279E271-K275 WeakPolarHBondContact O-CB 3.42Å; E271-K275 PolarHBondContact O-N 2.86Å; K275-K279 VanDerWaalsContact O-CG 3.3Å; K275-K279 WeakPolarHBondContact O-CG 3.23Å; K275-K279 PolarHBondContact O-N 3.04Å
276K78.5Confident73.3Confident130 Ų13083.6 Ų83.657%0.56541%0.406SS*.Hα-helixtrans-66.2-43.5174.5-175.1-178.2176.4-173.40111.3M272 R273 Q274 K279 L280M272-K276 WeakPolarHBondContact O-CB 3.32Å; M272-K276 PolarHBondContact O-N 3.15Å; R273-K276 WeakPolarHBondContact O-CB 3.34Å; R273-K276 PolarHBondContact O-N 3.36Å; Q274-K276 VanDerWaalsContact C-N 3.27Å; Q274-K276 PolarHBondContact O-N 3.33Å; K276-K279 PolarHBondContact O-N 2.95Å; K276-L280 HydrophobicContact CG-CD1 4.47Å; K276-L280 WeakPolarHBondContact O-CG 3.01Å; K276-L280 PolarHBondContact O-N 3.3Å
277R74.4Confident71.8Confident48 Ų4885.9 Ų85.918%0.18142%0.421CS..Hα-helixtrans-61.1-47.7175.3-70.2-174.3-68.8-106.62.9110.8D24 R273 Q274 K279 L280 F281D24-R277 IonicContact OD2-CZ 3.59Å; D24-R277 IonicContact OD2-NH1 3.44Å; D24-R277 PolarHBondContact OD2-NH1 3.25Å; D24-R277 IonicContact OD2-NH2 2.91Å; R273-R277 WeakPolarHBondContact O-CG 3.42Å; R273-R277 PolarHBondContact O-N 3.08Å; Q274-R277 WeakPolarHBondContact O-CB 3.27Å; Q274-R277 PolarHBondContact O-N 3.14Å; Q274-R277 VanDerWaalsContact O-N 3.08Å; R277-K279 VanDerWaalsContact C-N 3.34Å; R277-K279 PolarHBondContact O-N 3.38Å; R277-L280 PolarHBondContact O-N 3.49Å; R277-L280 VanDerWaalsContact O-N 3.16Å; R277-F281 HydrophobicContact CB-CE2 4.4Å; R277-F281 WeakPolarHBondContact O-CD2 3.28Å; R277-F281 PolarHBondContact O-N 2.89Å
278E78.5Confident70.3Confident106 Ų10687.7 Ų87.750%0.49543%0.43SS..Hα-helixtrans-59.3-41.2178-71.1170.4-173.300112.8Q274 F281 A282Q274-E278 HydrophobicContact CG-CG 4.49Å; Q274-E278 VanDerWaalsContact CG-OE1 3.32Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.21Å; Q274-E278 PolarHBondContact NE2-OE1 3.26Å; Q274-E278 WeakPolarHBondContact O-CG 3.44Å; Q274-E278 PolarHBondContact O-N 3.49Å; E278-F281 PolarHBondContact O-N 2.95Å; E278-A282 WeakPolarHBondContact O-CB 3.09Å; E278-A282 PolarHBondContact O-N 3.02Å
279K77.2Confident69Low123 Ų12387.9 Ų87.954%0.53543%0.434SS..Hα-helixtrans-63.6-44.2174.1-75.5177.9177.5-169.80112.5K275 K276 R277 F281 A282 D283K275-K279 VanDerWaalsContact O-CG 3.3Å; K275-K279 WeakPolarHBondContact O-CG 3.23Å; K275-K279 PolarHBondContact O-N 3.04Å; K276-K279 PolarHBondContact O-N 2.95Å; R277-K279 VanDerWaalsContact C-N 3.34Å; R277-K279 PolarHBondContact O-N 3.38Å; K279-F281 VanDerWaalsContact C-N 3.3Å; K279-F281 PolarHBondContact O-N 3.34Å; K279-A282 PolarHBondContact O-N 3.44Å; K279-D283 WeakPolarHBondContact O-CB 3.49Å; K279-D283 VanDerWaalsContact O-CG 3.25Å; K279-D283 PolarHBondContact O-N 2.97Å
280L67.4Low67.6Low107 Ų10791.1 Ų91.156%0.5645%0.451SS*.Hα-helixtrans-62.1-38.7176.5-72.5172.1000111.8K276 R277 H284K276-L280 HydrophobicContact CG-CD1 4.47Å; K276-L280 WeakPolarHBondContact O-CG 3.01Å; K276-L280 PolarHBondContact O-N 3.3Å; R277-L280 PolarHBondContact O-N 3.49Å; R277-L280 VanDerWaalsContact O-N 3.16Å; L280-H284 WeakPolarHBondContact O-CB 3.49Å; L280-H284 PolarHBondContact O-N 3.28Å
281F62Low66.1Low139 Ų13997.6 Ų97.661%0.6148%0.479SS*.Hα-helixtrans-66.1-43.6173.1-76.9-66.7000112R277 E278 K279 H284 V285R277-F281 HydrophobicContact CB-CE2 4.4Å; R277-F281 WeakPolarHBondContact O-CD2 3.28Å; R277-F281 PolarHBondContact O-N 2.89Å; E278-F281 PolarHBondContact O-N 2.95Å; K279-F281 VanDerWaalsContact C-N 3.3Å; K279-F281 PolarHBondContact O-N 3.34Å; F281-H284 PolarHBondContact O-N 3.4Å; F281-V285 WeakPolarHBondContact O-CG2 3.41Å; F281-V285 PolarHBondContact O-N 3.26Å
282A63.5Low64.3Low54 Ų5496.2 Ų96.245%0.44648%0.483SS..Hα-helixtrans-61.8-44.3177.100000111.7E278 K279 V285 Q286E278-A282 WeakPolarHBondContact O-CB 3.09Å; E278-A282 PolarHBondContact O-N 3.02Å; K279-A282 PolarHBondContact O-N 3.44Å; A282-V285 PolarHBondContact O-N 3.45Å; A282-Q286 VanDerWaalsContact O-CB 3.3Å; A282-Q286 WeakPolarHBondContact O-CB 3.42Å; A282-Q286 PolarHBondContact O-N 3.31Å
283D63Low62.5Low99 Ų9998.2 Ų98.253%0.52949%0.494SS..Hα-helixtrans-63.8-41.9176.5-68.2-16.4000111K279 Q286 T287K279-D283 WeakPolarHBondContact O-CB 3.49Å; K279-D283 VanDerWaalsContact O-CG 3.25Å; K279-D283 PolarHBondContact O-N 2.97Å; D283-Q286 PolarHBondContact O-N 3.45Å; D283-T287 VanDerWaalsContact O-CG2 3.28Å; D283-T287 WeakPolarHBondContact O-CG2 3.38Å; D283-T287 PolarHBondContact O-N 3.47Å; D283-T287 PolarHBondContact O-OG1 3.33Å
284H55.5Low60.3Low114 Ų114101.4 Ų101.453%0.52852%0.517SS..Hα-helixtrans-62.1-46.2176.7-171.867.8000111.7L280 F281 Q286 T287 L288L280-H284 WeakPolarHBondContact O-CB 3.49Å; L280-H284 PolarHBondContact O-N 3.28Å; F281-H284 PolarHBondContact O-N 3.4Å; H284-Q286 VanDerWaalsContact C-N 3.32Å; H284-Q286 PolarHBondContact O-N 3.41Å; H284-T287 PolarHBondContact O-N 3.01Å; H284-T287 PolarHBondContact O-OG1 3.12Å; H284-L288 WeakPolarHBondContact O-CG 3.49Å; H284-L288 PolarHBondContact O-N 3.12Å; H284-L288 VanDerWaalsContact O-N 3.14Å
285V51.7Low58.4Low90 Ų90106.7 Ų106.755%0.54553%0.534SS..Hα-helixtrans-62.6-41.4175.3174.70000110.9F281 A282 T287 L288 T289F281-V285 WeakPolarHBondContact O-CG2 3.41Å; F281-V285 PolarHBondContact O-N 3.26Å; A282-V285 PolarHBondContact O-N 3.45Å; V285-T287 PolarHBondContact O-N 2.84Å; V285-L288 WeakPolarHBondContact O-CB 3.23Å; V285-L288 PolarHBondContact O-N 3.14Å; V285-T289 PolarHBondContact O-N 3.06Å; V285-T289 PolarHBondContact O-OG1 3.41Å
286Q49.2Very low56.2Low101 Ų101106.6 Ų106.647%0.47254%0.544SS..Hα-helixtrans-64.5-41178.1-167.261.948.100111.7A282 D283 H284 L288 T289 D290A282-Q286 VanDerWaalsContact O-CB 3.3Å; A282-Q286 WeakPolarHBondContact O-CB 3.42Å; A282-Q286 PolarHBondContact O-N 3.31Å; D283-Q286 PolarHBondContact O-N 3.45Å; H284-Q286 VanDerWaalsContact C-N 3.32Å; H284-Q286 PolarHBondContact O-N 3.41Å; Q286-L288 VanDerWaalsContact C-N 3.28Å; Q286-L288 PolarHBondContact O-N 3.04Å; Q286-T289 VanDerWaalsContact CA-OG1 3.25Å; Q286-T289 WeakPolarHBondContact CA-OG1 3.35Å; Q286-T289 PolarHBondContact NE2-OG1 2.97Å; Q286-T289 PolarHBondContact O-N 2.86Å; Q286-T289 VanDerWaalsContact O-N 3.15Å; Q286-T289 PolarHBondContact O-OG1 3.47Å; Q286-D290 PolarHBondContact NE2-OD1 2.99Å; Q286-D290 WeakPolarHBondContact O-CB 3.49Å; Q286-D290 VanDerWaalsContact O-CG 3.25Å; Q286-D290 PolarHBondContact O-N 3.01Å
287T52.4Low54.2Low60 Ų60108 Ų10837%0.36856%0.557SS.*Hα-helixtrans-66.4-29.6176.761.10000112.9D283 H284 V285 K291D283-T287 VanDerWaalsContact O-CG2 3.28Å; D283-T287 WeakPolarHBondContact O-CG2 3.38Å; D283-T287 PolarHBondContact O-N 3.47Å; D283-T287 PolarHBondContact O-OG1 3.33Å; H284-T287 PolarHBondContact O-N 3.01Å; H284-T287 PolarHBondContact O-OG1 3.12Å; V285-T287 PolarHBondContact O-N 2.84Å; T287-K291 VanDerWaalsContact O-CB 3.27Å; T287-K291 WeakPolarHBondContact O-CB 3.39Å; T287-K291 VanDerWaalsContact O-CG 3.25Å; T287-K291 WeakPolarHBondContact O-CG 3.47Å; T287-K291 PolarHBondContact O-N 3.49Å
288L53.3Low52.3Low108 Ų108112.6 Ų112.657%0.56559%0.585SS**Hα-helixtrans-70.3-39.6172-68.5171.1000111H284 V285 Q286 S292H284-L288 WeakPolarHBondContact O-CG 3.49Å; H284-L288 PolarHBondContact O-N 3.12Å; H284-L288 VanDerWaalsContact O-N 3.14Å; V285-L288 WeakPolarHBondContact O-CB 3.23Å; V285-L288 PolarHBondContact O-N 3.14Å; Q286-L288 VanDerWaalsContact C-N 3.28Å; Q286-L288 PolarHBondContact O-N 3.04Å; L288-S292 PolarHBondContact O-N 3.39Å
289T54.4Low50.1Low67 Ų67118.2 Ų118.241%0.41160%0.602SS.*Hα-helixtrans-70.7-38175.2440000113V285 Q286 S292V285-T289 PolarHBondContact O-N 3.06Å; V285-T289 PolarHBondContact O-OG1 3.41Å; Q286-T289 VanDerWaalsContact CA-OG1 3.25Å; Q286-T289 WeakPolarHBondContact CA-OG1 3.35Å; Q286-T289 PolarHBondContact NE2-OG1 2.97Å; Q286-T289 PolarHBondContact O-N 2.86Å; Q286-T289 VanDerWaalsContact O-N 3.15Å; Q286-T289 PolarHBondContact O-OG1 3.47Å; T289-S292 WeakPolarHBondContact O-CB 3.45Å; T289-S292 PolarHBondContact O-N 3.09Å
290D51.7Low48Very low83 Ų83120.2 Ų120.244%0.44462%0.619SS.*Hα-helixtrans-74.6-38-177.9-69-9.8000111.6Q286 S292 I293Q286-D290 PolarHBondContact NE2-OD1 2.99Å; Q286-D290 WeakPolarHBondContact O-CB 3.49Å; Q286-D290 VanDerWaalsContact O-CG 3.25Å; Q286-D290 PolarHBondContact O-N 3.01Å; D290-S292 PolarHBondContact O-N 3.35Å; D290-I293 PolarHBondContact O-N 2.7Å; D290-I293 VanDerWaalsContact O-N 3.14Å
291K50.7Low46.5Very low159 Ų159120.9 Ų120.969%0.69163%0.631SS**Hα-helixtrans-70.1-18.2173.4-71177.7179.21780112.9T287 I293T287-K291 VanDerWaalsContact O-CB 3.27Å; T287-K291 WeakPolarHBondContact O-CB 3.39Å; T287-K291 VanDerWaalsContact O-CG 3.25Å; T287-K291 WeakPolarHBondContact O-CG 3.47Å; T287-K291 PolarHBondContact O-N 3.49Å; K291-I293 PolarHBondContact O-N 3.08Å
292S44.2Very low45.4Very low91 Ų91121.6 Ų121.664%0.63664%0.641SS**THydrogen-bonded Turntrans-73.2-14171.6-170.10000113.3L288 T289 D290L288-S292 PolarHBondContact O-N 3.39Å; T289-S292 WeakPolarHBondContact O-CB 3.45Å; T289-S292 PolarHBondContact O-N 3.09Å; D290-S292 PolarHBondContact O-N 3.35Å
293I42.5Very low44.4Very low134 Ų134124.4 Ų124.469%0.68766%0.657SS**THydrogen-bonded Turntrans-92.5-10.3-177.3-62.6171.4000112.4D290 K291D290-I293 PolarHBondContact O-N 2.7Å; D290-I293 VanDerWaalsContact O-N 3.14Å; K291-I293 PolarHBondContact O-N 3.08Å
294V35.2Very low43.6Very low105 Ų105126.9 Ų126.964%0.63667%0.669SS**  trans-111.759.6179.1-164.50000111.3
295Y37.6Very low43.5Very low208 Ų208123.9 Ų123.982%0.81667%0.669SS**  trans-113.683.5146.5-76-77.1000107.8N297Y295-N297 PolarHBondContact O-N 2.93Å
296T36.4Very low43.7Very low113 Ų113125.5 Ų125.569%0.69368%0.675SS**  trans-66.7110.3163.548.10000108.7D298T296-D298 PolarHBondContact O-N 3.4Å
297N36.4Very low44.6Very low160 Ų160125.9 Ų125.986%0.85668%0.68SS**  trans3075.6142.6-58.2-28.7000116.5Y295Y295-N297 PolarHBondContact O-N 2.93Å
298D34.9Very low45.6Very low144 Ų144129.8 Ų129.877%0.7769%0.694SS**  trans-136.4104.2156.2-111.9-31.5000109.6T296T296-D298 PolarHBondContact O-N 3.4Å
299R33.2Very low46.4Very low223 Ų223129.4 Ų129.484%0.84269%0.689SS**  trans55.5107.1158.6-67.6178.9-177.1178.40.8119.2C301R299-C301 PolarHBondContact O-N 3.08Å
300D32.8Very low47.4Very low165 Ų165131 Ų13188%0.88270%0.695SS**  trans26.886.1135.5-70.8-31.5000117.4
301C36Very low48.9Very low121 Ų121133.2 Ų133.282%0.81870%0.701SS**  trans-154.8100.4156.4-84.90000110.7R299R299-C301 PolarHBondContact O-N 3.08Å
302N38.1Very low50.5Low154 Ų154128.5 Ų128.582%0.82469%0.686SS**  trans60.282.7154.5-63-20.5000119.8I304N302-I304 VanDerWaalsContact C-N 3.27Å; N302-I304 PolarHBondContact O-N 2.95Å; N302-I304 VanDerWaalsContact O-N 3.17Å
303S42.6Very low51.9Low113 Ų113128.2 Ų128.279%0.7968%0.675SS**THydrogen-bonded Turntrans-80.129.3172.183.20000115.7
304I47.7Very low53.9Low151 Ų151126.2 Ų126.277%0.77466%0.663SS**THydrogen-bonded Turntrans-92.1-14.6-175.2-78.2170.1000113.6N302N302-I304 VanDerWaalsContact C-N 3.27Å; N302-I304 PolarHBondContact O-N 2.95Å; N302-I304 VanDerWaalsContact O-N 3.17Å
305G52.3Low56.5Low52 Ų52128.6 Ų128.654%0.53667%0.665SS.*SBendtrans-92.6-27.8-172.500000117.3
306N55.8Low58.9Low124 Ų124126.5 Ų126.566%0.66366%0.655SS**Hα-helixtrans-80.8-37.5-168-82.5-1.2000113.8E308 H309 D310N306-E308 PolarHBondContact O-N 3.43Å; N306-H309 PolarHBondContact O-N 3.02Å; N306-D310 PolarHBondContact O-N 3.07Å
307D67.8Low61.2Low108 Ų108129.9 Ų129.958%0.57866%0.655SS**Hα-helixtrans-59.6-33.4-178.5-84.312000112.9K311D307-K311 WeakPolarHBondContact O-CB 3.35Å; D307-K311 WeakPolarHBondContact O-CD 3.34Å; D307-K311 WeakPolarHBondContact O-CG 3.49Å; D307-K311 PolarHBondContact O-N 3.32Å
308E74.8Confident63.7Low142 Ų142128.7 Ų128.766%0.66464%0.642SS**Hα-helixtrans-77.7-38.9-178.6-163.2149.7-149.700111.5N306 K311 V312N306-E308 PolarHBondContact O-N 3.43Å; E308-K311 PolarHBondContact O-N 3.04Å; E308-V312 VanDerWaalsContact O-CG2 3.26Å; E308-V312 WeakPolarHBondContact O-CG2 3.19Å; E308-V312 PolarHBondContact O-N 3.04Å
309H68.9Low66.2Low100 Ų100127 Ų12746%0.46363%0.633SS.*Hα-helixtrans-61.7-44.6174-178.1-86.8000111.6N306 K311 V312 M313N306-H309 PolarHBondContact O-N 3.02Å; H309-K311 PolarHBondContact O-N 3.43Å; H309-V312 WeakPolarHBondContact O-CB 3.27Å; H309-V312 PolarHBondContact O-N 2.88Å; H309-V312 VanDerWaalsContact O-N 3.11Å; H309-M313 VanDerWaalsContact CE1-CE 3.44Å; H309-M313 WeakPolarHBondContact CE1-CE 3.18Å; H309-M313 WeakPolarHBondContact NE2-CE 3.34Å; H309-M313 WeakPolarHBondContact O-CG 3.48Å; H309-M313 PolarHBondContact O-N 3.15Å
310D74.9Confident68.4Low101 Ų101123.7 Ų123.754%0.5462%0.621SS.*Hα-helixtrans-65.9-39.4179.5-70.6-14.5000111.8N306 V312 M313 E314N306-D310 PolarHBondContact O-N 3.07Å; D310-V312 VanDerWaalsContact C-N 3.31Å; D310-V312 PolarHBondContact O-N 3.02Å; D310-M313 PolarHBondContact O-N 3.11Å; D310-E314 WeakPolarHBondContact O-CB 3.06Å; D310-E314 PolarHBondContact O-N 3.4Å
311K83.3Confident70.6Confident130 Ų130120.1 Ų120.157%0.56560%0.599SS**Hα-helixtrans-62.2-37.1171.8-74169-170168.30112.2D307 E308 H309 K315D307-K311 WeakPolarHBondContact O-CB 3.35Å; D307-K311 WeakPolarHBondContact O-CD 3.34Å; D307-K311 WeakPolarHBondContact O-CG 3.49Å; D307-K311 PolarHBondContact O-N 3.32Å; E308-K311 PolarHBondContact O-N 3.04Å; H309-K311 PolarHBondContact O-N 3.43Å; K311-K315 VanDerWaalsContact O-CG 3.32Å; K311-K315 WeakPolarHBondContact O-CG 3.16Å; K311-K315 PolarHBondContact O-N 3.45Å; K311-K315 VanDerWaalsContact O-N 3.1Å
312V84.1Confident72.8Confident60 Ų60121.2 Ų121.236%0.36459%0.59SS.*Hα-helixtrans-67-43.6176.8167.90000110.9E308 H309 D310 K315 R316E308-V312 VanDerWaalsContact O-CG2 3.26Å; E308-V312 WeakPolarHBondContact O-CG2 3.19Å; E308-V312 PolarHBondContact O-N 3.04Å; H309-V312 WeakPolarHBondContact O-CB 3.27Å; H309-V312 PolarHBondContact O-N 2.88Å; H309-V312 VanDerWaalsContact O-N 3.11Å; D310-V312 VanDerWaalsContact C-N 3.31Å; D310-V312 PolarHBondContact O-N 3.02Å; V312-K315 PolarHBondContact O-N 3.26Å; V312-R316 WeakPolarHBondContact O-CG 3.34Å; V312-R316 PolarHBondContact O-N 2.99Å
313M75.1Confident74.6Confident84 Ų84118 Ų11841%0.41457%0.573SS.*Hα-helixtrans-66.7-39.3178.7-68.7-57.5-17600112.3H309 D310 K315 R316 R317H309-M313 VanDerWaalsContact CE1-CE 3.44Å; H309-M313 WeakPolarHBondContact CE1-CE 3.18Å; H309-M313 WeakPolarHBondContact NE2-CE 3.34Å; H309-M313 WeakPolarHBondContact O-CG 3.48Å; H309-M313 PolarHBondContact O-N 3.15Å; D310-M313 PolarHBondContact O-N 3.11Å; M313-K315 PolarHBondContact O-N 2.63Å; M313-R316 PolarHBondContact O-N 2.83Å; M313-R317 PolarHBondContact O-N 3.37Å
314E84.9Confident76.2Confident93 Ų93117.2 Ų117.244%0.43556%0.555SS.*Hα-helixtrans-63.3-41174.9-175.262.3-158.800112D310 R317 K318D310-E314 WeakPolarHBondContact O-CB 3.06Å; D310-E314 PolarHBondContact O-N 3.4Å; E314-R317 PolarHBondContact O-N 3.4Å; E314-K318 PolarHBondContact O-N 2.88Å; E314-K318 VanDerWaalsContact O-N 3.08Å; E314-K318 WeakPolarHBondContact OE1-CE 3.18Å; E314-K318 IonicContact OE1-NZ 2.74Å; E314-K318 PolarHBondContact OE1-NZ 3.26Å
315K89.4Confident77.3Confident155 Ų155114.8 Ų114.867%0.67454%0.542SS*.Hα-helixtrans-63-43.1174.1-76.4175.6-178.71780111.9K311 V312 M313 K318 L319K311-K315 VanDerWaalsContact O-CG 3.32Å; K311-K315 WeakPolarHBondContact O-CG 3.16Å; K311-K315 PolarHBondContact O-N 3.45Å; K311-K315 VanDerWaalsContact O-N 3.1Å; V312-K315 PolarHBondContact O-N 3.26Å; M313-K315 PolarHBondContact O-N 2.63Å; K315-K318 PolarHBondContact O-N 3.4Å; K315-L319 WeakPolarHBondContact O-CB 3.32Å; K315-L319 PolarHBondContact O-N 2.9Å
316R86.5Confident78.2Confident164 Ų164116.5 Ų116.562%0.61954%0.537SS*.Hα-helixtrans-62.4-42.4177-76179.7176.9-177.1-0.3111.7V312 M313 L319 Y320V312-R316 WeakPolarHBondContact O-CG 3.34Å; V312-R316 PolarHBondContact O-N 2.99Å; M313-R316 PolarHBondContact O-N 2.83Å; R316-L319 PolarHBondContact O-N 3.45Å; R316-Y320 PolarHBondContact O-N 3.43Å
317R85.4Confident78.6Confident184 Ų184115.2 Ų115.269%0.69453%0.533SS*.Hα-helixtrans-61.8-45.1177.2-171.6179-85.6-156.5-3.4111.9M313 E314 L319 Y320 E321M313-R317 PolarHBondContact O-N 3.37Å; E314-R317 PolarHBondContact O-N 3.4Å; R317-L319 PolarHBondContact O-N 3.16Å; R317-Y320 PolarHBondContact O-N 2.94Å; R317-E321 PolarHBondContact O-N 2.86Å; R317-E321 VanDerWaalsContact O-N 3.14Å
318K89.3Confident78.3Confident134 Ų134114.6 Ų114.658%0.58353%0.529SS*.Hα-helixtrans-64.2-38.8176.6-74.5176.5179.4165.20113.1E314 K315 K322E314-K318 PolarHBondContact O-N 2.88Å; E314-K318 VanDerWaalsContact O-N 3.08Å; E314-K318 WeakPolarHBondContact OE1-CE 3.18Å; E314-K318 IonicContact OE1-NZ 2.74Å; E314-K318 PolarHBondContact OE1-NZ 3.26Å; K315-K318 PolarHBondContact O-N 3.4Å; K318-K322 PolarHBondContact O-N 3.43Å; K318-K322 VanDerWaalsContact O-N 3.14Å
319L86.6Confident77.4Confident108 Ų108113 Ų11357%0.56553%0.525SS*.Hα-helixtrans-65.4-42.2177.4-174.763.2000111.4K315 R316 R317 K322 L323K315-L319 WeakPolarHBondContact O-CB 3.32Å; K315-L319 PolarHBondContact O-N 2.9Å; R316-L319 PolarHBondContact O-N 3.45Å; R317-L319 PolarHBondContact O-N 3.16Å; L319-K322 PolarHBondContact O-N 2.99Å; L319-L323 HydrophobicContact CD1-CD1 4.42Å; L319-L323 HydrophobicContact CG-CD1 4.06Å; L319-L323 WeakPolarHBondContact O-CB 3.36Å; L319-L323 WeakPolarHBondContact O-CG 3.29Å; L319-L323 PolarHBondContact O-N 3.49Å
320Y79.1Confident76.8Confident154 Ų154115.4 Ų115.460%0.60453%0.534SS*.Hα-helixtrans-61.1-46.9177.1-175-96000112.2R316 R317 K322 L323 K324R316-Y320 PolarHBondContact O-N 3.43Å; R317-Y320 PolarHBondContact O-N 2.94Å; Y320-K322 VanDerWaalsContact C-N 3.33Å; Y320-K322 PolarHBondContact O-N 3.12Å; Y320-L323 PolarHBondContact O-N 3.15Å; Y320-K324 HydrophobicContact CE1-CD 4.27Å; Y320-K324 VanDerWaalsContact O-CB 3.27Å; Y320-K324 WeakPolarHBondContact O-CB 3.43Å; Y320-K324 PolarHBondContact O-N 3.13Å
321E80.1Confident75.6Confident90 Ų90115.3 Ų115.342%0.42154%0.541SS..Hα-helixtrans-61.6-40176.8-76.2-61141.500112.4R317 K324 I325R317-E321 PolarHBondContact O-N 2.86Å; R317-E321 VanDerWaalsContact O-N 3.14Å; E321-K324 PolarHBondContact O-N 2.84Å; E321-I325 WeakPolarHBondContact O-CG1 3.21Å; E321-I325 PolarHBondContact O-N 2.78Å; E321-I325 VanDerWaalsContact O-N 3.08Å
322K81.4Confident73.8Confident144 Ų144111.5 Ų111.563%0.62654%0.539SS*.Hα-helixtrans-64.9-45.2176.9-164.7176.9-178-176.30111.9K318 L319 Y320 I325 E326K318-K322 PolarHBondContact O-N 3.43Å; K318-K322 VanDerWaalsContact O-N 3.14Å; L319-K322 PolarHBondContact O-N 2.99Å; Y320-K322 VanDerWaalsContact C-N 3.33Å; Y320-K322 PolarHBondContact O-N 3.12Å; K322-I325 PolarHBondContact O-N 3.27Å; K322-E326 WeakPolarHBondContact O-CB 3.28Å; K322-E326 PolarHBondContact O-N 2.86Å
323L77.5Confident71.8Confident87 Ų87117 Ų11746%0.45556%0.558SS.*Hα-helixtrans-65.3-39176.4-76.2168.5000111.8L319 Y320 E326 V327L319-L323 HydrophobicContact CD1-CD1 4.42Å; L319-L323 HydrophobicContact CG-CD1 4.06Å; L319-L323 WeakPolarHBondContact O-CB 3.36Å; L319-L323 WeakPolarHBondContact O-CG 3.29Å; L319-L323 PolarHBondContact O-N 3.49Å; Y320-L323 PolarHBondContact O-N 3.15Å; L323-E326 PolarHBondContact O-N 3.3Å; L323-V327 VanDerWaalsContact O-CB 3.23Å; L323-V327 WeakPolarHBondContact O-CB 3.14Å; L323-V327 WeakPolarHBondContact O-CG2 3.48Å; L323-V327 PolarHBondContact O-N 2.91Å
324K75.1Confident70.3Confident96 Ų96119.8 Ų119.842%0.41757%0.574SS.*Hα-helixtrans-60.5-47.5177.6-173.6-178.7178.6-173.10111.3Y320 E321 I328Y320-K324 HydrophobicContact CE1-CD 4.27Å; Y320-K324 VanDerWaalsContact O-CB 3.27Å; Y320-K324 WeakPolarHBondContact O-CB 3.43Å; Y320-K324 PolarHBondContact O-N 3.13Å; E321-K324 PolarHBondContact O-N 2.84Å; K324-I328 HydrophobicContact CG-CD1 3.64Å; K324-I328 WeakPolarHBondContact O-CB 3.3Å; K324-I328 VanDerWaalsContact O-CG1 3.27Å; K324-I328 WeakPolarHBondContact O-CG1 3.41Å; K324-I328 PolarHBondContact O-N 3.42Å
325I71.9Confident68.2Low100 Ų100124.6 Ų124.651%0.51360%0.597SS.*Hα-helixtrans-63.9-45.4176.1-64.5166.1000110.2E321 K322 N329E321-I325 WeakPolarHBondContact O-CG1 3.21Å; E321-I325 PolarHBondContact O-N 2.78Å; E321-I325 VanDerWaalsContact O-N 3.08Å; K322-I325 PolarHBondContact O-N 3.27Å; I325-N329 WeakPolarHBondContact O-CB 3.45Å; I325-N329 PolarHBondContact O-N 2.82Å
326E70.7Confident65.8Low89 Ų89123 Ų12342%0.41660%0.601SS.*Hα-helixtrans-72.1-37.5-174.1-166.3165.7-163.600113.4K322 L323 K330K322-E326 WeakPolarHBondContact O-CB 3.28Å; K322-E326 PolarHBondContact O-N 2.86Å; L323-E326 PolarHBondContact O-N 3.3Å; E326-K330 HydrophobicContact CG-CD 4.05Å; E326-K330 WeakPolarHBondContact O-CB 3.15Å; E326-K330 WeakPolarHBondContact O-CD 3.34Å; E326-K330 WeakPolarHBondContact O-CG 3.48Å; E326-K330 PolarHBondContact O-N 2.92Å; E326-K330 IonicContact OE1-NZ 2.91Å; E326-K330 PolarHBondContact OE1-NZ 3.38Å
327V64.7Low63.2Low96 Ų96124.1 Ų124.158%0.58261%0.61SS**Hα-helixtrans-80-43.7-178.8176.40000110.8L323 S331L323-V327 VanDerWaalsContact O-CB 3.23Å; L323-V327 WeakPolarHBondContact O-CB 3.14Å; L323-V327 WeakPolarHBondContact O-CG2 3.48Å; L323-V327 PolarHBondContact O-N 2.91Å; V327-S331 PolarHBondContact O-N 2.8Å; V327-S331 PolarHBondContact O-OG 2.8Å; V327-S331 VanDerWaalsContact O-OG 3.12Å
328I60Low60.8Low95 Ų95128.7 Ų128.749%0.48764%0.635SS.*Hα-helixtrans-79.6-41.6-175.3-57.7177.6000111.3K324 S331K324-I328 HydrophobicContact CG-CD1 3.64Å; K324-I328 WeakPolarHBondContact O-CB 3.3Å; K324-I328 VanDerWaalsContact O-CG1 3.27Å; K324-I328 WeakPolarHBondContact O-CG1 3.41Å; K324-I328 PolarHBondContact O-N 3.42Å; I328-S331 PolarHBondContact O-N 2.88Å; I328-S331 PolarHBondContact O-OG 3.03Å
329N57.4Low59.4Low109 Ų109128.4 Ų128.458%0.58364%0.637SS**Hα-helixtrans-78.8-22.5-179.8-65.6-15.4000113I325I325-N329 WeakPolarHBondContact O-CB 3.45Å; I325-N329 PolarHBondContact O-N 2.82Å
330K54.8Low57.9Low150 Ų150129.5 Ų129.565%0.65264%0.641SS**Hα-helixtrans-77.1-23.9169.8-71.5-177.1-176.2169.70112.9E326 G332E326-K330 HydrophobicContact CG-CD 4.05Å; E326-K330 WeakPolarHBondContact O-CB 3.15Å; E326-K330 WeakPolarHBondContact O-CD 3.34Å; E326-K330 WeakPolarHBondContact O-CG 3.48Å; E326-K330 PolarHBondContact O-N 2.92Å; E326-K330 IonicContact OE1-NZ 2.91Å; E326-K330 PolarHBondContact OE1-NZ 3.38Å; K330-G332 VanDerWaalsContact C-N 3.25Å; K330-G332 PolarHBondContact O-N 2.88Å
331S51.4Low56.8Low99 Ų99128.1 Ų128.169%0.69264%0.643SS**SBendtrans-77-9.517354.60000114.1V327 I328V327-S331 PolarHBondContact O-N 2.8Å; V327-S331 PolarHBondContact O-OG 2.8Å; V327-S331 VanDerWaalsContact O-OG 3.12Å; I328-S331 PolarHBondContact O-N 2.88Å; I328-S331 PolarHBondContact O-OG 3.03Å
332G44.7Very low55.4Low50 Ų50130.4 Ų130.452%0.51566%0.656SS.*SBendtrans-101.9-11.5-167.500000117.9K330K330-G332 VanDerWaalsContact C-N 3.25Å; K330-G332 PolarHBondContact O-N 2.88Å
333F42.1Very low53.8Low177 Ų177129.5 Ų129.578%0.77666%0.658SS**  trans-149.379.1-168.4-105.2-90.2000113.4
334D42.4Very low52.2Low141 Ų141132.3 Ų132.375%0.75467%0.672SS**  trans-150.136.6156.5-136.1-1.3000113.3
335Q41.6Very low50.6Low194 Ų194134.9 Ų134.991%0.90769%0.69SS**  trans-114.421.6173-72.4-154.511.800114.7K337Q335-K337 VanDerWaalsContact C-N 3.27Å; Q335-K337 PolarHBondContact O-N 3Å
336T38.3Very low48.9Very low123 Ų123137.6 Ų137.676%0.75570%0.703SS**  trans-93.762.5157.545.90000109.9
337K33.1Very low47.1Very low186 Ų186141.7 Ų141.781%0.80973%0.727SS**  trans-122.284.9156.9-87.5-174.8-179.8171.60107.6Q335Q335-K337 VanDerWaalsContact C-N 3.27Å; Q335-K337 PolarHBondContact O-N 3Å
338K34.6Very low45.5Very low280 Ų280145.8 Ų145.8100%1.21774%0.741SS**  trans-146.90152.1-140.7177.6-173.11800109.8

Retrieved 338 of 338 residues in 327.4 ms (Link to these results)

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