A0A077ZA17_TRITR Loading...

RUN domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZA17, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 229 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
1M64.3Low86.7Confident202 Ų20281 Ų81100%0.99540%0.396SS*.  0-45.80-78.7-168.1-174.800113.5H3 R4M1-H3 PolarHBondContact O-N 3.11Å; M1-R4 PolarHBondContact O-N 3.38Å; M1-R4 VanDerWaalsContact O-N 3.13Å
2L78.6Confident87.4Confident94 Ų9479.3 Ų79.349%0.49239%0.391SS..Hα-helixtrans-54.1-46.3-175.8-175.363.7000114R4 F5 V6 F121L2-R4 PolarHBondContact O-N 3.1Å; L2-F5 PolarHBondContact O-N 3.4Å; L2-F5 VanDerWaalsContact O-N 3.13Å; L2-V6 HydrophobicContact CD1-CG2 4.32Å; L2-V6 HydrophobicContact CG-CG2 4.33Å; L2-V6 WeakPolarHBondContact O-CG2 3.27Å; L2-V6 PolarHBondContact O-N 3.27Å; L2-F121 HydrophobicContact CD2-CE1 4.05Å; L2-F121 HydrophobicContact CD2-CZ 4.18Å; L2-F121 HydrophobicContact CG-CZ 4.42Å
3H79.5Confident88Confident67 Ų6774.3 Ų74.331%0.3137%0.366SS..Hα-helixtrans-52.4-41.3178-72.5-79.7000113.1M1 F5 V6 I7 F121M1-H3 PolarHBondContact O-N 3.11Å; H3-F5 PolarHBondContact O-N 3.41Å; H3-V6 PolarHBondContact O-N 3.29Å; H3-I7 WeakPolarHBondContact O-CB 3.34Å; H3-I7 WeakPolarHBondContact O-CG1 3.45Å; H3-I7 PolarHBondContact O-N 3.45Å; H3-F121 AromaticContact CD2-CE1 3.69Å; H3-F121 AromaticContact CE1-CD1 3.17Å; H3-F121 WeakPolarHBondContact CE1-CD1 3.13Å; H3-F121 AromaticContact CE1-CD2 3.92Å; H3-F121 AromaticContact CE1-CE1 3.04Å; H3-F121 WeakPolarHBondContact CE1-CE1 3.41Å; H3-F121 AromaticContact CE1-CE2 3.79Å; H3-F121 AromaticContact CE1-CG 3.63Å; H3-F121 AromaticContact CE1-CZ 3.37Å; H3-F121 WeakPolarHBondContact CE1-CZ 3.18Å; H3-F121 AromaticContact CG-CE1 3.91Å; H3-F121 AromaticContact ND1-CE1 3.53Å; H3-F121 AromaticContact ND1-CE2 3.97Å; H3-F121 AromaticContact ND1-CZ 3.45Å; H3-F121 WeakPolarHBondContact ND1-CZ 3.3Å; H3-F121 AromaticContact NE2-CD1 3.24Å; H3-F121 WeakPolarHBondContact NE2-CD1 3.48Å; H3-F121 AromaticContact NE2-CE1 3.13Å; H3-F121 WeakPolarHBondContact NE2-CE1 3.48Å; H3-F121 AromaticContact NE2-CZ 3.9Å
4R82.7Confident88.6Confident177 Ų17769 Ų6967%0.66834%0.34SS*.Hα-helixtrans-66-41-178.5-172.6169.2-178.7147.7-0.5112.1M1 L2 N8M1-R4 PolarHBondContact O-N 3.38Å; M1-R4 VanDerWaalsContact O-N 3.13Å; L2-R4 PolarHBondContact O-N 3.1Å; R4-N8 WeakPolarHBondContact O-CB 3.25Å; R4-N8 PolarHBondContact O-N 3.29Å; R4-N8 PolarHBondContact O-OD1 3.37Å
5F88.4Confident89.1Confident137 Ų13769.1 Ų69.160%0.60134%0.339SS*.Hα-helixtrans-65.5-41.7175.5-75.4-73.5000112.1L2 H3 N8 S9L2-F5 PolarHBondContact O-N 3.4Å; L2-F5 VanDerWaalsContact O-N 3.13Å; H3-F5 PolarHBondContact O-N 3.41Å; F5-N8 PolarHBondContact O-N 3.32Å; F5-S9 WeakPolarHBondContact O-CB 3.5Å; F5-S9 PolarHBondContact O-N 3.12Å; F5-S9 PolarHBondContact O-OG 3.13Å
6V90.1Very high89.5Confident21 Ų2164.9 Ų64.913%0.12732%0.319CS..Hα-helixtrans-65.5-47.4178.7176.70000110.6L2 H3 N8 S9 I10 F67 L117L2-V6 HydrophobicContact CD1-CG2 4.32Å; L2-V6 HydrophobicContact CG-CG2 4.33Å; L2-V6 WeakPolarHBondContact O-CG2 3.27Å; L2-V6 PolarHBondContact O-N 3.27Å; H3-V6 PolarHBondContact O-N 3.29Å; V6-N8 PolarHBondContact O-N 3.49Å; V6-S9 WeakPolarHBondContact O-CB 3.45Å; V6-S9 PolarHBondContact O-N 3.05Å; V6-I10 HydrophobicContact CG1-CD1 3.79Å; V6-I10 WeakPolarHBondContact O-CD1 3.46Å; V6-I10 VanDerWaalsContact O-CG1 3.31Å; V6-I10 WeakPolarHBondContact O-CG1 3.46Å; V6-I10 PolarHBondContact O-N 3.19Å; V6-F67 HydrophobicContact CG1-CE1 4.37Å; V6-F67 HydrophobicContact CG1-CE2 3.88Å; V6-F67 HydrophobicContact CG1-CZ 3.39Å; V6-L117 HydrophobicContact CG1-CD1 4.02Å; V6-L117 HydrophobicContact CG2-CD1 4.18Å
7I91.8Very high89.8Confident12 Ų1261.1 Ų61.16%0.06230%0.3CS..Hα-helixtrans-58.3-49.3176.4-69.6169.1000110.3H3 S9 I10 V11 F63 L64 F67H3-I7 WeakPolarHBondContact O-CB 3.34Å; H3-I7 WeakPolarHBondContact O-CG1 3.45Å; H3-I7 PolarHBondContact O-N 3.45Å; I7-S9 VanDerWaalsContact C-N 3.28Å; I7-S9 PolarHBondContact O-N 3.26Å; I7-I10 PolarHBondContact O-N 3.41Å; I7-I10 VanDerWaalsContact O-N 3.1Å; I7-V11 HydrophobicContact CG2-CG2 4.25Å; I7-V11 WeakPolarHBondContact O-CG2 3.36Å; I7-V11 PolarHBondContact O-N 3.13Å; I7-F63 HydrophobicContact CD1-CB 4.36Å; I7-F63 HydrophobicContact CG1-CB 3.91Å; I7-F63 HydrophobicContact CG2-CB 4.18Å; I7-F63 HydrophobicContact CG2-CD2 4.15Å; I7-L64 HydrophobicContact CD1-CB 4.35Å; I7-F67 HydrophobicContact CG1-CE2 4.32Å
8N93Very high90.1Very high71 Ų7158.7 Ų58.738%0.3829%0.288SS..Hα-helixtrans-57.3-41.3177-72.6-5.3000112.4R4 F5 V6 I10 V11 D12R4-N8 WeakPolarHBondContact O-CB 3.25Å; R4-N8 PolarHBondContact O-N 3.29Å; R4-N8 PolarHBondContact O-OD1 3.37Å; F5-N8 PolarHBondContact O-N 3.32Å; V6-N8 PolarHBondContact O-N 3.49Å; N8-I10 VanDerWaalsContact C-N 3.32Å; N8-I10 PolarHBondContact O-N 3.27Å; N8-V11 PolarHBondContact O-N 3.38Å; N8-D12 WeakPolarHBondContact O-CB 3.48Å; N8-D12 PolarHBondContact O-N 3.28Å
9S94.1Very high90.3Very high76 Ų7658.3 Ų58.353%0.53129%0.289SS..Hα-helixtrans-65.4-36.8178.6-53.20000112.1F5 V6 I7 M13F5-S9 WeakPolarHBondContact O-CB 3.5Å; F5-S9 PolarHBondContact O-N 3.12Å; F5-S9 PolarHBondContact O-OG 3.13Å; V6-S9 WeakPolarHBondContact O-CB 3.45Å; V6-S9 PolarHBondContact O-N 3.05Å; I7-S9 VanDerWaalsContact C-N 3.28Å; I7-S9 PolarHBondContact O-N 3.26Å; S9-M13 WeakPolarHBondContact O-CB 3.45Å; S9-M13 PolarHBondContact O-N 3.07Å; S9-M13 VanDerWaalsContact O-N 3.08Å
10I95.3Very high89.9Confident12 Ų1259.4 Ų59.46%0.06230%0.299CS..Hα-helixtrans-70-41.7175.7-65.6156.3000110.3V6 I7 N8 M13 I14 F63 F67 L72V6-I10 HydrophobicContact CG1-CD1 3.79Å; V6-I10 WeakPolarHBondContact O-CD1 3.46Å; V6-I10 VanDerWaalsContact O-CG1 3.31Å; V6-I10 WeakPolarHBondContact O-CG1 3.46Å; V6-I10 PolarHBondContact O-N 3.19Å; I7-I10 PolarHBondContact O-N 3.41Å; I7-I10 VanDerWaalsContact O-N 3.1Å; N8-I10 VanDerWaalsContact C-N 3.32Å; N8-I10 PolarHBondContact O-N 3.27Å; I10-M13 WeakPolarHBondContact O-CB 3.3Å; I10-M13 PolarHBondContact O-N 3.2Å; I10-I14 HydrophobicContact CG2-CD1 3.76Å; I10-I14 VanDerWaalsContact O-CG1 3.32Å; I10-I14 WeakPolarHBondContact O-CG1 3.19Å; I10-I14 PolarHBondContact O-N 2.83Å; I10-F63 HydrophobicContact CG2-CD1 4.01Å; I10-F63 HydrophobicContact CG2-CE1 3.65Å; I10-F63 HydrophobicContact CG2-CE2 4.35Å; I10-F63 HydrophobicContact CG2-CZ 3.87Å; I10-F67 HydrophobicContact CD1-CE2 3.83Å; I10-F67 HydrophobicContact CD1-CZ 3.83Å; I10-L72 HydrophobicContact CD1-CD2 3.45Å; I10-L72 VanDerWaalsContact CD1-CD2 3.45Å; I10-L72 HydrophobicContact CG1-CD2 4.47Å
11V95.7Very high89.8Confident22 Ų2261.1 Ų61.113%0.13332%0.323CS..Hα-helixtrans-61.1-50.1175.6171.30000110I7 N8 M13 I14 E15 V24 V59 F63I7-V11 HydrophobicContact CG2-CG2 4.25Å; I7-V11 WeakPolarHBondContact O-CG2 3.36Å; I7-V11 PolarHBondContact O-N 3.13Å; N8-V11 PolarHBondContact O-N 3.38Å; V11-M13 PolarHBondContact O-N 2.91Å; V11-I14 CarbonylContact O-C 3.51Å; V11-I14 PolarHBondContact O-N 3.17Å; V11-E15 HydrophobicContact CG1-CG 4.14Å; V11-E15 WeakPolarHBondContact O-CB 3.45Å; V11-E15 WeakPolarHBondContact O-CG 3.04Å; V11-E15 PolarHBondContact O-N 3.16Å; V11-V24 HydrophobicContact CG1-CG2 4.45Å; V11-V59 HydrophobicContact CG2-CG1 3.82Å; V11-F63 HydrophobicContact CG2-CD2 4.04Å; V11-F63 HydrophobicContact CG2-CE2 3.76Å
12D95Very high91Very high61 Ų6153.6 Ų53.633%0.32629%0.287SS..Hα-helixtrans-55.8-39175.5-87.4-44.8000112N8 E15 D16 K187 F189N8-D12 WeakPolarHBondContact O-CB 3.48Å; N8-D12 PolarHBondContact O-N 3.28Å; D12-E15 PolarHBondContact O-N 3.31Å; D12-D16 PolarHBondContact O-N 2.96Å; D12-K187 IonicContact OD1-NZ 2.99Å; D12-K187 PolarHBondContact OD1-NZ 3.36Å; D12-F189 HydrophobicContact CB-CZ 4.26Å; D12-F189 WeakPolarHBondContact O-CZ 3.3Å
13M95.3Very high91.8Very high14 Ų1451.1 Ų51.17%0.06928%0.277CS..Hα-helixtrans-65.6-38.2175.2-177.7-167.770.800112.8S9 I10 V11 L76 F95 I110S9-M13 WeakPolarHBondContact O-CB 3.45Å; S9-M13 PolarHBondContact O-N 3.07Å; S9-M13 VanDerWaalsContact O-N 3.08Å; I10-M13 WeakPolarHBondContact O-CB 3.3Å; I10-M13 PolarHBondContact O-N 3.2Å; V11-M13 PolarHBondContact O-N 2.91Å; M13-L76 HydrophobicContact CE-CD1 4.28Å; M13-L76 HydrophobicContact CE-CD2 3.79Å; M13-F95 HydrophobicContact CG-CD1 3.72Å; M13-F95 HydrophobicContact CG-CE1 3.84Å; M13-F95 HydrophobicContact SD-CD1 4.25Å; M13-F95 HydrophobicContact SD-CE1 3.77Å; M13-I110 HydrophobicContact SD-CD1 3.87Å; M13-I110 HydrophobicContact SD-CG2 4.25Å
14I96.5Very high92.6Very high0 Ų048.3 Ų48.30%027%0.265CS..Hα-helixtrans-79.9-25.1178.9-66.6167.9000111.3I10 V11 D16 V24 F63 W75 L76 Y90 L96I10-I14 HydrophobicContact CG2-CD1 3.76Å; I10-I14 VanDerWaalsContact O-CG1 3.32Å; I10-I14 WeakPolarHBondContact O-CG1 3.19Å; I10-I14 PolarHBondContact O-N 2.83Å; V11-I14 CarbonylContact O-C 3.51Å; V11-I14 PolarHBondContact O-N 3.17Å; I14-D16 VanDerWaalsContact C-N 3.33Å; I14-V24 HydrophobicContact CG2-CG1 3.93Å; I14-V24 HydrophobicContact CG2-CG2 4.3Å; I14-F63 HydrophobicContact CD1-CE1 3.92Å; I14-F63 HydrophobicContact CD1-CE2 4.32Å; I14-F63 HydrophobicContact CD1-CZ 3.36Å; I14-W75 HydrophobicContact CD1-CH2 4.27Å; I14-W75 HydrophobicContact CD1-CZ3 4Å; I14-L76 HydrophobicContact CD1-CD2 4.46Å; I14-Y90 WeakPolarHBondContact CG2-OH 3.37Å; I14-Y90 WeakPolarHBondContact O-CE1 3.45Å; I14-Y90 PolarHBondContact O-OH 3.43Å; I14-L96 HydrophobicContact CG1-CD1 4.33Å
15E95.7Very high93.2Very high71 Ų7140.2 Ų40.233%0.33223%0.234SC..Hα-helixtrans-78.3-19.3174.9-73.4-175.5161.400112.9V11 D12 G17 L18 V24V11-E15 HydrophobicContact CG1-CG 4.14Å; V11-E15 WeakPolarHBondContact O-CB 3.45Å; V11-E15 WeakPolarHBondContact O-CG 3.04Å; V11-E15 PolarHBondContact O-N 3.16Å; D12-E15 PolarHBondContact O-N 3.31Å; E15-G17 PolarHBondContact O-N 3.29Å; E15-L18 VanDerWaalsContact O-CB 3.29Å; E15-L18 WeakPolarHBondContact O-CB 3.13Å; E15-L18 PolarHBondContact O-N 2.95Å; E15-V24 HydrophobicContact CG-CG2 3.41Å; E15-V24 VanDerWaalsContact CG-CG2 3.41Å
16D95.4Very high93.5Very high2 Ų235.3 Ų35.31%0.01122%0.217CC..THydrogen-bonded Turntrans-56.2113.3-179.7176.243.9000112.7D12 I14 L18 Y90 A94 F95 S188 F189D12-D16 PolarHBondContact O-N 2.96Å; I14-D16 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.06Å; D16-Y90 WeakPolarHBondContact O-CD1 3.24Å; D16-A94 VanDerWaalsContact O-CB 3.32Å; D16-A94 WeakPolarHBondContact O-CB 3.21Å; D16-F95 HydrophobicContact CB-CB 4.43Å; D16-F95 WeakPolarHBondContact OD2-CA 3.17Å; D16-F95 WeakPolarHBondContact OD2-CB 3.36Å; D16-F95 PolarHBondContact OD2-N 3.38Å; D16-S188 VanDerWaalsContact OD1-C 3.3Å; D16-S188 WeakPolarHBondContact OD1-CA 3.45Å; D16-S188 WeakPolarHBondContact OD1-CB 3.3Å; D16-S188 PolarHBondContact OD1-OG 3.48Å; D16-F189 HydrophobicContact CB-CD2 3.5Å; D16-F189 VanDerWaalsContact CB-CD2 3.5Å; D16-F189 HydrophobicContact CB-CE2 3.56Å; D16-F189 HydrophobicContact CB-CG 4.27Å; D16-F189 HydrophobicContact CB-CZ 4.35Å; D16-F189 PolarHBondContact OD1-N 3.31Å
17G94.9Very high93.7Very high0 Ų034.3 Ų34.30%021%0.211CC..THydrogen-bonded Turntrans65.818.4179.800000113.8E15 V19 Y90 L91 K187E15-G17 PolarHBondContact O-N 3.29Å; G17-V19 PolarHBondContact O-N 2.93Å; G17-Y90 CarbonylContact O-C 3.57Å; G17-Y90 WeakPolarHBondContact O-CA 3.1Å; G17-L91 WeakPolarHBondContact O-CG 3.37Å; G17-L91 PolarHBondContact O-N 3.42Å; G17-K187 PolarHBondContact N-O 3.13Å
18L95.7Very high93.9Very high17 Ų1733.7 Ų33.79%0.08921%0.208CC..BIsolated β-bridgetrans-66.7127.7172.2-172.169.3000109.6E15 D16 N22 V24 V27 C89 Y90 T186E15-L18 VanDerWaalsContact O-CB 3.29Å; E15-L18 WeakPolarHBondContact O-CB 3.13Å; E15-L18 PolarHBondContact O-N 2.95Å; D16-L18 PolarHBondContact O-N 3.06Å; L18-N22 HydrophobicContact CD1-CB 3.9Å; L18-N22 HydrophobicContact CD2-CB 4.5Å; L18-N22 WeakPolarHBondContact CD2-O 3.48Å; L18-N22 HydrophobicContact CG-CB 4.13Å; L18-V24 HydrophobicContact CD2-CG2 4.35Å; L18-V27 HydrophobicContact CD1-CG2 3.67Å; L18-C89 HydrophobicContact CD1-CB 4.13Å; L18-Y90 HydrophobicContact CB-CD1 4.36Å; L18-Y90 HydrophobicContact CB-CE1 4.13Å; L18-Y90 HydrophobicContact CD1-CD1 4.22Å; L18-Y90 HydrophobicContact CD1-CE1 3.76Å; L18-Y90 HydrophobicContact CD1-CE2 4.11Å; L18-T186 WeakPolarHBondContact O-CG2 3.19Å
19V93.8Very high94Very high51 Ų5133 Ų3331%0.30921%0.206SC..  trans-68.4134178.6176.70000109.7G17 A21 N22 C89 L91G17-V19 PolarHBondContact O-N 2.93Å; V19-A21 PolarHBondContact O-N 3.07Å; V19-N22 WeakPolarHBondContact O-CB 3.5Å; V19-N22 PolarHBondContact O-N 3.13Å; V19-N22 PolarHBondContact O-ND2 3.5Å; V19-C89 WeakPolarHBondContact CG2-O 3.44Å; V19-C89 PolarHBondContact N-O 3.32Å; V19-L91 HydrophobicContact CG2-CD2 4.21Å
20V83.1Confident93.9Very high80 Ų8031.8 Ų31.849%0.48520%0.197SC..THydrogen-bonded Turntrans-52.2-26.8-171.6175.90000115N22 T184 T186V20-N22 PolarHBondContact O-N 2.95Å; V20-T184 HydrophobicContact CB-CG2 4.39Å; V20-T184 HydrophobicContact CG1-CG2 4.07Å; V20-T184 HydrophobicContact CG2-CG2 4.39Å; V20-T186 HydrophobicContact CG2-CG2 3.57Å
21A87.4Confident93.8Very high96 Ų9631.2 Ų31.279%0.79319%0.194SC*.THydrogen-bonded Turntrans-67.5-12.6174.300000114.3V19V19-A21 PolarHBondContact O-N 3.07Å
22N89.8Confident93.7Very high45 Ų4530.8 Ų30.824%0.24119%0.192CC..  trans-112.3145-177.6-56.6-85.3000110.5L18 V19 V20L18-N22 HydrophobicContact CD1-CB 3.9Å; L18-N22 HydrophobicContact CD2-CB 4.5Å; L18-N22 WeakPolarHBondContact CD2-O 3.48Å; L18-N22 HydrophobicContact CG-CB 4.13Å; V19-N22 WeakPolarHBondContact O-CB 3.5Å; V19-N22 PolarHBondContact O-N 3.13Å; V19-N22 PolarHBondContact O-ND2 3.5Å; V20-N22 PolarHBondContact O-N 2.95Å
23S94Very high92.9Very high41 Ų4134.5 Ų34.529%0.28721%0.205SC..  trans-107.3159168.3570000110.7W25 S26 V27S23-W25 PolarHBondContact O-N 3.21Å; S23-S26 PolarHBondContact N-OG 3.2Å; S23-S26 WeakPolarHBondContact O-CB 3.5Å; S23-S26 PolarHBondContact O-N 2.84Å; S23-S26 PolarHBondContact O-OG 2.96Å; S23-S26 WeakPolarHBondContact OG-CB 3.13Å; S23-S26 PolarHBondContact OG-N 3.17Å; S23-V27 PolarHBondContact O-N 3.04Å; S23-V27 VanDerWaalsContact O-N 3.11Å
24V96.1Very high91.9Very high9 Ų940.6 Ų40.66%0.05524%0.237CC..Hα-helixtrans-54.6-40.5172.8178.40000110.9V11 I14 E15 L18 S26 V27 I28 V59 F63V11-V24 HydrophobicContact CG1-CG2 4.45Å; I14-V24 HydrophobicContact CG2-CG1 3.93Å; I14-V24 HydrophobicContact CG2-CG2 4.3Å; E15-V24 HydrophobicContact CG-CG2 3.41Å; E15-V24 VanDerWaalsContact CG-CG2 3.41Å; L18-V24 HydrophobicContact CD2-CG2 4.35Å; V24-S26 PolarHBondContact O-N 3.02Å; V24-V27 WeakPolarHBondContact O-CB 3.47Å; V24-V27 PolarHBondContact O-N 3.43Å; V24-I28 HydrophobicContact CG1-CD1 3.99Å; V24-I28 WeakPolarHBondContact O-CG1 3.35Å; V24-I28 PolarHBondContact O-N 3.29Å; V24-V59 HydrophobicContact CB-CG1 4.47Å; V24-V59 HydrophobicContact CB-CG2 4.13Å; V24-V59 HydrophobicContact CG1-CG1 3.76Å; V24-V59 HydrophobicContact CG1-CG2 4.04Å; V24-F63 HydrophobicContact CG1-CE2 4.49Å
25W96.1Very high90.8Very high7 Ų741.6 Ų41.63%0.02725%0.247CC..Hα-helixtrans-58.7-45.4174.5-171.5-111.2000112.6S23 V27 I28 V29 L48 E49 K55 K58 V59 F62S23-W25 PolarHBondContact O-N 3.21Å; W25-V27 VanDerWaalsContact C-N 3.26Å; W25-V27 PolarHBondContact O-N 3.43Å; W25-I28 HydrophobicContact CE3-CB 4.43Å; W25-I28 HydrophobicContact CE3-CD1 4.08Å; W25-I28 HydrophobicContact CE3-CG2 4.38Å; W25-I28 HydrophobicContact CZ3-CD1 4.42Å; W25-I28 HydrophobicContact CZ3-CG2 4.12Å; W25-I28 WeakPolarHBondContact O-CB 3.25Å; W25-I28 PolarHBondContact O-N 3.1Å; W25-I28 VanDerWaalsContact O-N 3.1Å; W25-V29 HydrophobicContact CD2-CG2 4.36Å; W25-V29 HydrophobicContact CZ2-CG2 4.08Å; W25-V29 WeakPolarHBondContact O-CG2 3.5Å; W25-V29 PolarHBondContact O-N 3.33Å; W25-L48 HydrophobicContact CH2-CB 3.71Å; W25-L48 HydrophobicContact CH2-CD1 4.2Å; W25-L48 HydrophobicContact CZ2-CB 4.37Å; W25-L48 HydrophobicContact CZ3-CD1 4.44Å; W25-E49 VanDerWaalsContact CE2-OE2 3.25Å; W25-E49 WeakPolarHBondContact CZ2-OE2 3.45Å; W25-E49 PolarHBondContact NE1-OE2 3.36Å; W25-K55 HydrophobicContact CB-CB 4.13Å; W25-K55 HydrophobicContact CB-CD 4.33Å; W25-K55 HydrophobicContact CB-CG 4.36Å; W25-K55 HydrophobicContact CG-CB 4.41Å; W25-K55 HydrophobicContact CG-CG 4.31Å; W25-K58 HydrophobicContact CD2-CB 3.94Å; W25-K58 HydrophobicContact CD2-CD 4.41Å; W25-K58 HydrophobicContact CE3-CB 3.61Å; W25-K58 HydrophobicContact CH2-CB 3.75Å; W25-K58 HydrophobicContact CH2-CD 4.28Å; W25-K58 HydrophobicContact CZ2-CB 4.03Å; W25-K58 HydrophobicContact CZ2-CD 3.78Å; W25-K58 HydrophobicContact CZ2-CG 4.49Å; W25-K58 HydrophobicContact CZ3-CB 3.52Å; W25-K58 WeakPolarHBondContact CZ3-O 3.34Å; W25-V59 HydrophobicContact CB-CG2 4.02Å; W25-V59 HydrophobicContact CE3-CG2 4.03Å; W25-F62 HydrophobicContact CZ3-CB 4.1Å
26S94Very high89.4Confident33 Ų3344.9 Ų44.923%0.23128%0.275CS..Hα-helixtrans-62.2-34.1178.272.70000112.7S23 V24 S30S23-S26 PolarHBondContact N-OG 3.2Å; S23-S26 WeakPolarHBondContact O-CB 3.5Å; S23-S26 PolarHBondContact O-N 2.84Å; S23-S26 PolarHBondContact O-OG 2.96Å; S23-S26 WeakPolarHBondContact OG-CB 3.13Å; S23-S26 PolarHBondContact OG-N 3.17Å; V24-S26 PolarHBondContact O-N 3.02Å; S26-S30 WeakPolarHBondContact O-CB 3.44Å; S26-S30 PolarHBondContact O-N 3.11Å; S26-S30 PolarHBondContact O-OG 3.31Å
27V95.7Very high88.3Confident0 Ų049.7 Ų49.70%032%0.315CS..Hα-helixtrans-67.1-45.5173.3175.40000110.1L18 S23 V24 W25 V29 S30 A31 L79 L85 C89 Y90L18-V27 HydrophobicContact CD1-CG2 3.67Å; S23-V27 PolarHBondContact O-N 3.04Å; S23-V27 VanDerWaalsContact O-N 3.11Å; V24-V27 WeakPolarHBondContact O-CB 3.47Å; V24-V27 PolarHBondContact O-N 3.43Å; W25-V27 VanDerWaalsContact C-N 3.26Å; W25-V27 PolarHBondContact O-N 3.43Å; V27-V29 PolarHBondContact O-N 2.96Å; V27-S30 PolarHBondContact O-N 2.86Å; V27-A31 WeakPolarHBondContact O-CB 3.31Å; V27-A31 PolarHBondContact O-N 3.33Å; V27-L79 HydrophobicContact CG1-CD1 3.97Å; V27-L85 HydrophobicContact CG1-CD2 4.39Å; V27-C89 HydrophobicContact CG2-CB 4.26Å; V27-Y90 HydrophobicContact CG1-CE2 4.47Å; V27-Y90 HydrophobicContact CG2-CE2 4.35Å
28I96.1Very high87.7Confident0 Ų050.8 Ų50.80%032%0.321CS..Hα-helixtrans-56.7-51.7178.2-71.3162.7000111.2V24 W25 S30 A31 T32 V45 V59 F62 F63 W75V24-I28 HydrophobicContact CG1-CD1 3.99Å; V24-I28 WeakPolarHBondContact O-CG1 3.35Å; V24-I28 PolarHBondContact O-N 3.29Å; W25-I28 HydrophobicContact CE3-CB 4.43Å; W25-I28 HydrophobicContact CE3-CD1 4.08Å; W25-I28 HydrophobicContact CE3-CG2 4.38Å; W25-I28 HydrophobicContact CZ3-CD1 4.42Å; W25-I28 HydrophobicContact CZ3-CG2 4.12Å; W25-I28 WeakPolarHBondContact O-CB 3.25Å; W25-I28 PolarHBondContact O-N 3.1Å; W25-I28 VanDerWaalsContact O-N 3.1Å; I28-S30 PolarHBondContact O-N 3.41Å; I28-A31 PolarHBondContact O-N 3.08Å; I28-T32 VanDerWaalsContact O-CB 3.3Å; I28-T32 WeakPolarHBondContact O-CB 3.39Å; I28-T32 PolarHBondContact O-N 2.87Å; I28-T32 PolarHBondContact O-OG1 3.42Å; I28-V45 HydrophobicContact CG2-CG2 3.89Å; I28-V59 HydrophobicContact CD1-CB 4.47Å; I28-V59 HydrophobicContact CD1-CG1 4.28Å; I28-V59 HydrophobicContact CD1-CG2 4.05Å; I28-F62 HydrophobicContact CB-CE1 4.39Å; I28-F62 HydrophobicContact CD1-CB 4.43Å; I28-F62 HydrophobicContact CD1-CD1 3.5Å; I28-F62 HydrophobicContact CD1-CE1 3.97Å; I28-F62 HydrophobicContact CD1-CG 4.11Å; I28-F62 HydrophobicContact CG1-CD1 3.85Å; I28-F62 HydrophobicContact CG1-CE1 3.77Å; I28-F62 HydrophobicContact CG1-CZ 4.48Å; I28-F62 HydrophobicContact CG2-CD1 3.87Å; I28-F62 HydrophobicContact CG2-CD2 3.84Å; I28-F62 HydrophobicContact CG2-CE1 3.74Å; I28-F62 HydrophobicContact CG2-CE2 3.73Å; I28-F62 HydrophobicContact CG2-CG 3.9Å; I28-F62 HydrophobicContact CG2-CZ 3.67Å; I28-F63 HydrophobicContact CD1-CE2 4.39Å; I28-F63 HydrophobicContact CD1-CZ 4.32Å; I28-W75 HydrophobicContact CB-CZ2 4.45Å; I28-W75 HydrophobicContact CG1-CH2 4.02Å; I28-W75 HydrophobicContact CG1-CZ2 3.98Å
29V94.1Very high87.3Confident57 Ų5758.1 Ų58.135%0.34535%0.348SS..Hα-helixtrans-61.6-45.9179174.40000110.7W25 V27 A31 T32 V45W25-V29 HydrophobicContact CD2-CG2 4.36Å; W25-V29 HydrophobicContact CZ2-CG2 4.08Å; W25-V29 WeakPolarHBondContact O-CG2 3.5Å; W25-V29 PolarHBondContact O-N 3.33Å; V27-V29 PolarHBondContact O-N 2.96Å; V29-A31 PolarHBondContact O-N 3.5Å; V29-T32 PolarHBondContact O-N 3.46Å; V29-V45 HydrophobicContact CG2-CG1 4.18Å
30S93Very high87.1Confident49 Ų4957.9 Ų57.934%0.34335%0.349SS..Hα-helixtrans-69.7-31.8-177.3-61.30000113.6S26 V27 I28S26-S30 WeakPolarHBondContact O-CB 3.44Å; S26-S30 PolarHBondContact O-N 3.11Å; S26-S30 PolarHBondContact O-OG 3.31Å; V27-S30 PolarHBondContact O-N 2.86Å; I28-S30 PolarHBondContact O-N 3.41Å
31A93.2Very high87.6Confident0 Ų054.7 Ų54.70%033%0.329CS..Hα-helixtrans-76.6-32.4176.100000111.9V27 I28 V29 K33 W75 Y78 L79 K82 L85V27-A31 WeakPolarHBondContact O-CB 3.31Å; V27-A31 PolarHBondContact O-N 3.33Å; I28-A31 PolarHBondContact O-N 3.08Å; V29-A31 PolarHBondContact O-N 3.5Å; A31-K33 PolarHBondContact O-N 2.77Å; A31-K33 VanDerWaalsContact O-N 3.11Å; A31-W75 HydrophobicContact CB-CZ2 4.22Å; A31-Y78 WeakPolarHBondContact O-CE1 3.39Å; A31-L79 HydrophobicContact CB-CD1 3.67Å; A31-K82 HydrophobicContact CB-CD 4.35Å; A31-K82 WeakPolarHBondContact O-CE 3.31Å; A31-L85 HydrophobicContact CB-CD2 3.97Å
32T92Very high87.8Confident14 Ų1450.5 Ų50.59%0.08629%0.294CS..  trans-91.374.7-176.6-47.70000110.2I28 V29 V41 C42 V45 W75I28-T32 VanDerWaalsContact O-CB 3.3Å; I28-T32 WeakPolarHBondContact O-CB 3.39Å; I28-T32 PolarHBondContact O-N 2.87Å; I28-T32 PolarHBondContact O-OG1 3.42Å; V29-T32 PolarHBondContact O-N 3.46Å; T32-V41 HydrophobicContact CG2-CB 4.43Å; T32-V41 HydrophobicContact CG2-CG1 3.89Å; T32-C42 HydrophobicContact CG2-CB 4.19Å; T32-V45 HydrophobicContact CG2-CB 4.29Å; T32-V45 HydrophobicContact CG2-CG2 3.8Å; T32-W75 PolarHBondContact OG1-NE1 3.25Å
33K80Confident88Confident139 Ų13950.9 Ų50.960%0.60430%0.296SS*.  trans-88.3147.4169.6-66-170.5177.7-1710110.4A31 G35 T38A31-K33 PolarHBondContact O-N 2.77Å; A31-K33 VanDerWaalsContact O-N 3.11Å; K33-G35 PolarHBondContact O-N 3.38Å; K33-T38 PolarHBondContact O-OG1 3.48Å; K33-T38 VanDerWaalsContact O-OG1 3.11Å
34L74.3Confident88Confident141 Ų14148.9 Ų48.974%0.73828%0.282SS*.  trans-57127.3178.8-171.966.7000110.8C42L34-C42 HydrophobicContact CD1-CB 4.35Å
35G71.7Confident88Confident21 Ų2148.8 Ų48.822%0.21628%0.282CS..  trans-157.715417300000109.9K33 A37 T38 R39K33-G35 PolarHBondContact O-N 3.38Å; G35-A37 PolarHBondContact O-N 2.95Å; G35-T38 WeakPolarHBondContact CA-OG1 3.46Å; G35-T38 PolarHBondContact N-OG1 3.28Å; G35-T38 VanDerWaalsContact N-OG1 3.11Å; G35-T38 PolarHBondContact O-N 2.68Å; G35-T38 PolarHBondContact O-OG1 2.76Å; G35-R39 PolarHBondContact O-N 3.19Å
36P66.1Low87.8Confident141 Ų14152.9 Ų52.992%0.91630%0.304SS*.G310 helixtrans-56.7-38-178.3-25.633.9000113.1T38P36-T38 VanDerWaalsContact C-N 3.31Å; P36-T38 PolarHBondContact O-N 2.69Å
37A72.2Confident87.8Confident102 Ų10252.4 Ų52.484%0.84330%0.302SS*.G310 helixtrans-78.3-11179.300000114.2G35G35-A37 PolarHBondContact O-N 2.95Å
38T83.4Confident87.7Confident23 Ų2352.4 Ų52.414%0.14130%0.302CS..G310 helixtrans-11711.8-174.956.60000112.6K33 G35 P36 S40 V41 C42 Y78K33-T38 PolarHBondContact O-OG1 3.48Å; K33-T38 VanDerWaalsContact O-OG1 3.11Å; G35-T38 WeakPolarHBondContact CA-OG1 3.46Å; G35-T38 PolarHBondContact N-OG1 3.28Å; G35-T38 VanDerWaalsContact N-OG1 3.11Å; G35-T38 PolarHBondContact O-N 2.68Å; G35-T38 PolarHBondContact O-OG1 2.76Å; P36-T38 VanDerWaalsContact C-N 3.31Å; P36-T38 PolarHBondContact O-N 2.69Å; T38-S40 PolarHBondContact O-N 2.89Å; T38-V41 PolarHBondContact O-N 2.99Å; T38-C42 WeakPolarHBondContact O-CB 3.32Å; T38-C42 PolarHBondContact O-N 2.84Å; T38-Y78 HydrophobicContact CG2-CE1 4.36Å
39R88Confident87.6Confident171 Ų17157 Ų5765%0.64532%0.323SS*.Hα-helixtrans-56.2-51-172.2-175.5175.8-179.4-178.42.7113.2G35 V41 C42 D43G35-R39 PolarHBondContact O-N 3.19Å; R39-V41 VanDerWaalsContact C-N 3.32Å; R39-V41 PolarHBondContact O-N 3.29Å; R39-C42 WeakPolarHBondContact O-CB 3.2Å; R39-C42 PolarHBondContact O-N 3.29Å; R39-D43 WeakPolarHBondContact CG-OD2 3.45Å; R39-D43 IonicContact NE-OD2 2.72Å; R39-D43 WeakPolarHBondContact O-CB 3.44Å; R39-D43 PolarHBondContact O-N 3.49Å
40S88.7Confident87.4Confident47 Ų4759 Ų5933%0.32934%0.34SS..Hα-helixtrans-58.7-42.718052.90000112.7T38 L44T38-S40 PolarHBondContact O-N 2.89Å; S40-L44 WeakPolarHBondContact O-CB 3.29Å; S40-L44 PolarHBondContact O-N 3.5Å
41V93.2Very high87.2Confident12 Ų1258.8 Ų58.87%0.07333%0.332CS..Hα-helixtrans-71.3-37.7178.3-175.40000111.4T32 T38 R39 L44 V45 F62 L66T32-V41 HydrophobicContact CG2-CB 4.43Å; T32-V41 HydrophobicContact CG2-CG1 3.89Å; T38-V41 PolarHBondContact O-N 2.99Å; R39-V41 VanDerWaalsContact C-N 3.32Å; R39-V41 PolarHBondContact O-N 3.29Å; V41-L44 WeakPolarHBondContact O-CB 3.46Å; V41-L44 PolarHBondContact O-N 3.01Å; V41-V45 WeakPolarHBondContact O-CG2 3.42Å; V41-V45 PolarHBondContact O-N 3.1Å; V41-F62 HydrophobicContact CG1-CE2 3.88Å; V41-F62 HydrophobicContact CG1-CZ 4.14Å; V41-L66 HydrophobicContact CB-CD2 4.42Å; V41-L66 HydrophobicContact CG1-CD2 3.82Å; V41-L66 HydrophobicContact CG2-CD2 3.79Å
42C93.1Very high86.8Confident8 Ų864.6 Ų64.65%0.05436%0.363CS..Hα-helixtrans-63.5-45.8174.5-170.80000111.5T32 L34 T38 R39 L44 V45 N46T32-C42 HydrophobicContact CG2-CB 4.19Å; L34-C42 HydrophobicContact CD1-CB 4.35Å; T38-C42 WeakPolarHBondContact O-CB 3.32Å; T38-C42 PolarHBondContact O-N 2.84Å; R39-C42 WeakPolarHBondContact O-CB 3.2Å; R39-C42 PolarHBondContact O-N 3.29Å; C42-L44 VanDerWaalsContact C-N 3.3Å; C42-L44 PolarHBondContact O-N 2.85Å; C42-V45 PolarHBondContact O-N 2.95Å; C42-N46 VanDerWaalsContact O-CG 3.23Å; C42-N46 PolarHBondContact O-N 3.43Å; C42-N46 PolarHBondContact O-ND2 3.45Å
43D93Very high86.4Confident53 Ų5364.8 Ų64.828%0.28337%0.366SS..Hα-helixtrans-65.4-36.3178.5-66.3-19.4000110.7R39 N46 A47 L139R39-D43 WeakPolarHBondContact CG-OD2 3.45Å; R39-D43 IonicContact NE-OD2 2.72Å; R39-D43 WeakPolarHBondContact O-CB 3.44Å; R39-D43 PolarHBondContact O-N 3.49Å; D43-N46 PolarHBondContact O-N 2.84Å; D43-A47 VanDerWaalsContact O-CB 3.29Å; D43-A47 WeakPolarHBondContact O-CB 3.48Å; D43-A47 PolarHBondContact O-N 2.9Å; D43-L139 HydrophobicContact CB-CD2 3.29Å
44L94.6Very high86.7Confident0 Ų061.3 Ų61.30%035%0.349CS..Hα-helixtrans-60.1-49.9170.2177.463.4000111.8S40 V41 C42 N46 A47 L48 F62 L69 L139 L143 L146S40-L44 WeakPolarHBondContact O-CB 3.29Å; S40-L44 PolarHBondContact O-N 3.5Å; V41-L44 WeakPolarHBondContact O-CB 3.46Å; V41-L44 PolarHBondContact O-N 3.01Å; C42-L44 VanDerWaalsContact C-N 3.3Å; C42-L44 PolarHBondContact O-N 2.85Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 3.23Å; L44-A47 PolarHBondContact O-N 3.36Å; L44-L48 HydrophobicContact CD1-CD1 4.07Å; L44-L48 HydrophobicContact CD1-CG 4.19Å; L44-L48 HydrophobicContact CG-CD1 4.11Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.19Å; L44-L48 PolarHBondContact O-N 3.02Å; L44-F62 HydrophobicContact CD2-CD2 4.05Å; L44-F62 HydrophobicContact CD2-CE2 4.41Å; L44-F62 HydrophobicContact CG-CD2 4.41Å; L44-L69 HydrophobicContact CD2-CD1 4.17Å; L44-L139 HydrophobicContact CB-CD1 3.87Å; L44-L139 HydrophobicContact CD1-CD1 4.42Å; L44-L143 HydrophobicContact CD1-CD2 4.13Å; L44-L146 HydrophobicContact CD1-CD1 3.91Å
45V94.9Very high87.5Confident7 Ų758 Ų584%0.04233%0.329CS..Hα-helixtrans-60.1-44.3177.8171.20000110.9I28 V29 T32 V41 C42 A47 L48 E49 F62I28-V45 HydrophobicContact CG2-CG2 3.89Å; V29-V45 HydrophobicContact CG2-CG1 4.18Å; T32-V45 HydrophobicContact CG2-CB 4.29Å; T32-V45 HydrophobicContact CG2-CG2 3.8Å; V41-V45 WeakPolarHBondContact O-CG2 3.42Å; V41-V45 PolarHBondContact O-N 3.1Å; C42-V45 PolarHBondContact O-N 2.95Å; V45-A47 VanDerWaalsContact C-N 3.35Å; V45-A47 PolarHBondContact O-N 3.37Å; V45-L48 PolarHBondContact O-N 3.49Å; V45-E49 WeakPolarHBondContact O-CB 3.28Å; V45-E49 PolarHBondContact O-N 2.96Å; V45-F62 HydrophobicContact CG2-CD2 3.82Å; V45-F62 HydrophobicContact CG2-CE2 3.5Å; V45-F62 HydrophobicContact CG2-CZ 4.48Å
46N93.3Very high88.4Confident92 Ų9263 Ų6349%0.49235%0.351SS..Hα-helixtrans-61.3-42.4177.5-69.6-26.6000112.2C42 D43 L44 L48 E49 S50C42-N46 VanDerWaalsContact O-CG 3.23Å; C42-N46 PolarHBondContact O-N 3.43Å; C42-N46 PolarHBondContact O-ND2 3.45Å; D43-N46 PolarHBondContact O-N 2.84Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 3.23Å; N46-L48 VanDerWaalsContact C-N 3.3Å; N46-L48 PolarHBondContact O-N 3.44Å; N46-E49 PolarHBondContact O-N 3.42Å; N46-S50 PolarHBondContact O-N 2.9Å; N46-S50 VanDerWaalsContact O-N 3.16Å; N46-S50 PolarHBondContact O-OG 3.46Å
47A93.3Very high89.6Confident23 Ų2356.9 Ų56.919%0.1931%0.31CS..Hα-helixtrans-67.9-28.5177.300000113D43 L44 V45 S50 R51 L143D43-A47 VanDerWaalsContact O-CB 3.29Å; D43-A47 WeakPolarHBondContact O-CB 3.48Å; D43-A47 PolarHBondContact O-N 2.9Å; L44-A47 PolarHBondContact O-N 3.36Å; V45-A47 VanDerWaalsContact C-N 3.35Å; V45-A47 PolarHBondContact O-N 3.37Å; A47-S50 PolarHBondContact O-OG 3.42Å; A47-S50 VanDerWaalsContact O-OG 3.08Å; A47-R51 WeakPolarHBondContact O-CG 3.33Å; A47-L143 HydrophobicContact CB-CD1 3.94Å; A47-L143 HydrophobicContact CB-CD2 3.7Å; A47-L143 HydrophobicContact CB-CG 4.5Å
48L94.3Very high90.7Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-82.7-33.6174-67.1177000112.1W25 L44 V45 N46 S50 R51 K58 L61 F62 L146W25-L48 HydrophobicContact CH2-CB 3.71Å; W25-L48 HydrophobicContact CH2-CD1 4.2Å; W25-L48 HydrophobicContact CZ2-CB 4.37Å; W25-L48 HydrophobicContact CZ3-CD1 4.44Å; L44-L48 HydrophobicContact CD1-CD1 4.07Å; L44-L48 HydrophobicContact CD1-CG 4.19Å; L44-L48 HydrophobicContact CG-CD1 4.11Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.19Å; L44-L48 PolarHBondContact O-N 3.02Å; V45-L48 PolarHBondContact O-N 3.49Å; N46-L48 VanDerWaalsContact C-N 3.3Å; N46-L48 PolarHBondContact O-N 3.44Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.03Å; L48-R51 WeakPolarHBondContact O-CB 3.44Å; L48-R51 PolarHBondContact O-N 3.28Å; L48-K58 WeakPolarHBondContact O-CD 3.24Å; L48-K58 WeakPolarHBondContact O-CE 3.43Å; L48-K58 PolarHBondContact O-NZ 2.94Å; L48-L61 HydrophobicContact CD1-CB 4.28Å; L48-L61 HydrophobicContact CD2-CB 3.66Å; L48-L61 HydrophobicContact CD2-CD1 3.98Å; L48-L61 HydrophobicContact CD2-CG 4.49Å; L48-F62 HydrophobicContact CD1-CB 3.69Å; L48-F62 HydrophobicContact CD1-CD2 4.34Å; L48-L146 HydrophobicContact CD2-CD1 4.47Å
49E92.3Very high91.2Very high96 Ų9652.2 Ų52.245%0.44927%0.27SS..Hα-helixtrans-62.4-40.5176.7-166.564.7-160.200110.5W25 V45 N46 R51 K58W25-E49 VanDerWaalsContact CE2-OE2 3.25Å; W25-E49 WeakPolarHBondContact CZ2-OE2 3.45Å; W25-E49 PolarHBondContact NE1-OE2 3.36Å; V45-E49 WeakPolarHBondContact O-CB 3.28Å; V45-E49 PolarHBondContact O-N 2.96Å; N46-E49 PolarHBondContact O-N 3.42Å; E49-R51 VanDerWaalsContact C-N 3.25Å; E49-R51 PolarHBondContact O-N 3.19Å; E49-K58 PolarHBondContact O-NZ 3.13Å
50S90.7Very high91.4Very high99 Ų9946.6 Ų46.669%0.69225%0.252SS*.THydrogen-bonded Turntrans-71.2-12.3176.866.30000114.8N46 A47 L48N46-S50 PolarHBondContact O-N 2.9Å; N46-S50 VanDerWaalsContact O-N 3.16Å; N46-S50 PolarHBondContact O-OG 3.46Å; A47-S50 PolarHBondContact O-OG 3.42Å; A47-S50 VanDerWaalsContact O-OG 3.08Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.03Å
51R88.3Confident91.6Very high46 Ų4644.4 Ų44.417%0.17424%0.237CC..SBendtrans-77.3139.1176.7-70.5172.6-173.6-125.2-9.1111.5A47 L48 E49 A53 K58 D147A47-R51 WeakPolarHBondContact O-CG 3.33Å; L48-R51 WeakPolarHBondContact O-CB 3.44Å; L48-R51 PolarHBondContact O-N 3.28Å; E49-R51 VanDerWaalsContact C-N 3.25Å; E49-R51 PolarHBondContact O-N 3.19Å; R51-A53 VanDerWaalsContact C-N 3.27Å; R51-A53 HydrophobicContact CB-CB 4.44Å; R51-A53 PolarHBondContact O-N 2.94Å; R51-K58 WeakPolarHBondContact O-CE 3.48Å; R51-K58 PolarHBondContact O-NZ 3.1Å; R51-D147 IonicContact CZ-OD1 3.51Å; R51-D147 IonicContact NH1-OD1 3.75Å; R51-D147 PolarHBondContact NH1-OD1 3.49Å; R51-D147 IonicContact NH2-OD1 2.78Å; R51-D147 PolarHBondContact NH2-OD1 3.3Å; R51-D147 IonicContact NH2-OD2 3.9Å
52N85.6Confident91.8Very high121 Ų12143.8 Ų43.865%0.64723%0.233SC*.  trans-80.173.2169.5-170.632.8000111
53A83.3Confident91.8Very high18 Ų1843.4 Ų43.415%0.14923%0.231CC..BIsolated β-bridgetrans-132.5149.3-178.400000110.7R51 L57 K58R51-A53 VanDerWaalsContact C-N 3.27Å; R51-A53 HydrophobicContact CB-CB 4.44Å; R51-A53 PolarHBondContact O-N 2.94Å; A53-L57 HydrophobicContact CB-CB 4.4Å; A53-L57 HydrophobicContact CB-CD2 3.95Å; A53-L57 HydrophobicContact CB-CG 4.28Å; A53-K58 HydrophobicContact CB-CG 4.04Å; A53-K58 VanDerWaalsContact O-CE 3.27Å; A53-K58 WeakPolarHBondContact O-CE 3.45Å
54Y86.6Confident91.8Very high67 Ų6741.9 Ų41.926%0.26322%0.222SC..  trans-60.2149.4172.5-60.2-75.5000110.5N56 L57 K58 L157 A159 S160 D163Y54-N56 PolarHBondContact O-N 3.3Å; Y54-L57 WeakPolarHBondContact O-CB 3.45Å; Y54-L57 PolarHBondContact O-N 2.86Å; Y54-K58 PolarHBondContact O-N 3.22Å; Y54-L157 WeakPolarHBondContact CD2-O 3.41Å; Y54-L157 WeakPolarHBondContact CE2-O 3.27Å; Y54-A159 HydrophobicContact CD1-CB 3.87Å; Y54-A159 HydrophobicContact CD2-CB 4.27Å; Y54-A159 HydrophobicContact CE1-CB 3.81Å; Y54-A159 HydrophobicContact CE2-CB 4.22Å; Y54-A159 HydrophobicContact CG-CB 4.11Å; Y54-S160 PolarHBondContact OH-N 3.34Å; Y54-S160 VanDerWaalsContact OH-N 3.15Å; Y54-D163 WeakPolarHBondContact CD1-OD2 3.47Å; Y54-D163 WeakPolarHBondContact CE1-OD2 3.47Å
55K91.2Very high91.7Very high71 Ų7141.9 Ų41.931%0.30922%0.222SC..Hα-helixtrans-53.5-40.6-178.4-71.6-172.9175.4-1740112.9W25 L57 K58 V59 E165W25-K55 HydrophobicContact CB-CB 4.13Å; W25-K55 HydrophobicContact CB-CD 4.33Å; W25-K55 HydrophobicContact CB-CG 4.36Å; W25-K55 HydrophobicContact CG-CB 4.41Å; W25-K55 HydrophobicContact CG-CG 4.31Å; K55-L57 VanDerWaalsContact C-N 3.34Å; K55-L57 PolarHBondContact O-N 2.92Å; K55-K58 WeakPolarHBondContact O-CB 3.36Å; K55-K58 PolarHBondContact O-N 3.19Å; K55-K58 VanDerWaalsContact O-N 3.15Å; K55-V59 WeakPolarHBondContact O-CG2 3.09Å; K55-V59 PolarHBondContact O-N 3.18Å; K55-E165 WeakPolarHBondContact CE-OE1 3.31Å; K55-E165 WeakPolarHBondContact CE-OE2 3.47Å; K55-E165 IonicContact NZ-OE1 3.01Å; K55-E165 PolarHBondContact NZ-OE1 3.11Å; K55-E165 IonicContact NZ-OE2 2.55Å; K55-E165 PolarHBondContact NZ-OE2 3.16Å
56N90.2Very high91.6Very high126 Ų12641.6 Ų41.667%0.67422%0.22SC*.Hα-helixtrans-63.5-39.6178.4-64.3-16.5000112.2Y54 V59 D60Y54-N56 PolarHBondContact O-N 3.3Å; N56-V59 WeakPolarHBondContact O-CB 3.42Å; N56-V59 PolarHBondContact O-N 3.27Å; N56-D60 PolarHBondContact O-N 3.02Å
57L91.4Very high91.5Very high13 Ų1337.6 Ų37.67%0.06820%0.199CC..Hα-helixtrans-66.3-39.8174.118058.1000111A53 Y54 K55 V59 D60 L61 L153A53-L57 HydrophobicContact CB-CB 4.4Å; A53-L57 HydrophobicContact CB-CD2 3.95Å; A53-L57 HydrophobicContact CB-CG 4.28Å; Y54-L57 WeakPolarHBondContact O-CB 3.45Å; Y54-L57 PolarHBondContact O-N 2.86Å; K55-L57 VanDerWaalsContact C-N 3.34Å; K55-L57 PolarHBondContact O-N 2.92Å; L57-V59 VanDerWaalsContact C-N 3.28Å; L57-V59 PolarHBondContact O-N 3.39Å; L57-D60 PolarHBondContact O-N 2.97Å; L57-L61 HydrophobicContact CD1-CD1 4.36Å; L57-L61 HydrophobicContact CD1-CG 4.15Å; L57-L61 HydrophobicContact CG-CD1 4.1Å; L57-L61 HydrophobicContact CG-CG 4.36Å; L57-L61 VanDerWaalsContact O-CG 3.25Å; L57-L61 WeakPolarHBondContact O-CG 3.39Å; L57-L61 PolarHBondContact O-N 3.06Å; L57-L153 HydrophobicContact CD1-CD1 3.51Å; L57-L153 HydrophobicContact CD2-CD1 4.39Å
58K94.4Very high91.2Very high20 Ų2038.2 Ų38.29%0.08720%0.196CC..Hα-helixtrans-60.9-38.1174.3-63.8-173.8178.4-170.80112W25 L48 E49 R51 A53 Y54 K55 F62W25-K58 HydrophobicContact CD2-CB 3.94Å; W25-K58 HydrophobicContact CD2-CD 4.41Å; W25-K58 HydrophobicContact CE3-CB 3.61Å; W25-K58 HydrophobicContact CH2-CB 3.75Å; W25-K58 HydrophobicContact CH2-CD 4.28Å; W25-K58 HydrophobicContact CZ2-CB 4.03Å; W25-K58 HydrophobicContact CZ2-CD 3.78Å; W25-K58 HydrophobicContact CZ2-CG 4.49Å; W25-K58 HydrophobicContact CZ3-CB 3.52Å; W25-K58 WeakPolarHBondContact CZ3-O 3.34Å; L48-K58 WeakPolarHBondContact O-CD 3.24Å; L48-K58 WeakPolarHBondContact O-CE 3.43Å; L48-K58 PolarHBondContact O-NZ 2.94Å; E49-K58 PolarHBondContact O-NZ 3.13Å; R51-K58 WeakPolarHBondContact O-CE 3.48Å; R51-K58 PolarHBondContact O-NZ 3.1Å; A53-K58 HydrophobicContact CB-CG 4.04Å; A53-K58 VanDerWaalsContact O-CE 3.27Å; A53-K58 WeakPolarHBondContact O-CE 3.45Å; Y54-K58 PolarHBondContact O-N 3.22Å; K55-K58 WeakPolarHBondContact O-CB 3.36Å; K55-K58 PolarHBondContact O-N 3.19Å; K55-K58 VanDerWaalsContact O-N 3.15Å; K58-F62 VanDerWaalsContact O-CB 3.25Å; K58-F62 WeakPolarHBondContact O-CB 3.47Å; K58-F62 PolarHBondContact O-N 3.21Å
59V95.4Very high91Very high7 Ų739.4 Ų39.44%0.04220%0.202CC..Hα-helixtrans-61.7-47.9174.3174.10000111.1V11 V24 W25 I28 K55 N56 L57 L61 F62 F63V11-V59 HydrophobicContact CG2-CG1 3.82Å; V24-V59 HydrophobicContact CB-CG1 4.47Å; V24-V59 HydrophobicContact CB-CG2 4.13Å; V24-V59 HydrophobicContact CG1-CG1 3.76Å; V24-V59 HydrophobicContact CG1-CG2 4.04Å; W25-V59 HydrophobicContact CB-CG2 4.02Å; W25-V59 HydrophobicContact CE3-CG2 4.03Å; I28-V59 HydrophobicContact CD1-CB 4.47Å; I28-V59 HydrophobicContact CD1-CG1 4.28Å; I28-V59 HydrophobicContact CD1-CG2 4.05Å; K55-V59 WeakPolarHBondContact O-CG2 3.09Å; K55-V59 PolarHBondContact O-N 3.18Å; N56-V59 WeakPolarHBondContact O-CB 3.42Å; N56-V59 PolarHBondContact O-N 3.27Å; L57-V59 VanDerWaalsContact C-N 3.28Å; L57-V59 PolarHBondContact O-N 3.39Å; V59-L61 PolarHBondContact O-N 2.95Å; V59-F62 WeakPolarHBondContact O-CB 3.25Å; V59-F62 PolarHBondContact O-N 3.4Å; V59-F63 HydrophobicContact CG1-CD2 3.83Å; V59-F63 HydrophobicContact CG1-CE2 3.52Å; V59-F63 VanDerWaalsContact O-CD2 3.24Å; V59-F63 WeakPolarHBondContact O-CD2 3.29Å; V59-F63 PolarHBondContact O-N 3.18Å; V59-F63 VanDerWaalsContact O-N 3.1Å
60D92.5Very high90.9Very high53 Ų5338.6 Ų38.628%0.28320%0.198SC..Hα-helixtrans-60.1-47.4177.8-72.9-19000111.7N56 L57 F62 F63 L64N56-D60 PolarHBondContact O-N 3.02Å; L57-D60 PolarHBondContact O-N 2.97Å; D60-F62 VanDerWaalsContact C-N 3.31Å; D60-F62 PolarHBondContact O-N 3.06Å; D60-F63 PolarHBondContact O-N 3.31Å; D60-L64 WeakPolarHBondContact O-CB 3.43Å; D60-L64 PolarHBondContact O-N 3.15Å
61L92.9Very high91Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-64.9-35.2178.6-65.1175.4000112.2L48 L57 V59 G65 L146 F149 V150L48-L61 HydrophobicContact CD1-CB 4.28Å; L48-L61 HydrophobicContact CD2-CB 3.66Å; L48-L61 HydrophobicContact CD2-CD1 3.98Å; L48-L61 HydrophobicContact CD2-CG 4.49Å; L57-L61 HydrophobicContact CD1-CD1 4.36Å; L57-L61 HydrophobicContact CD1-CG 4.15Å; L57-L61 HydrophobicContact CG-CD1 4.1Å; L57-L61 HydrophobicContact CG-CG 4.36Å; L57-L61 VanDerWaalsContact O-CG 3.25Å; L57-L61 WeakPolarHBondContact O-CG 3.39Å; L57-L61 PolarHBondContact O-N 3.06Å; V59-L61 PolarHBondContact O-N 2.95Å; L61-G65 PolarHBondContact O-N 3.02Å; L61-L146 HydrophobicContact CB-CD2 4.45Å; L61-L146 HydrophobicContact CD2-CB 4.28Å; L61-L146 HydrophobicContact CD2-CD2 3.98Å; L61-F149 HydrophobicContact CD2-CD1 3.88Å; L61-F149 HydrophobicContact CD2-CE1 4.49Å; L61-V150 HydrophobicContact CD1-CG2 3.69Å; L61-V150 HydrophobicContact CD2-CG2 3.7Å; L61-V150 HydrophobicContact CG-CG2 4.29Å
62F95.7Very high91.3Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-62.4-49.9175.6174.7-104.6000111.4W25 I28 V41 L44 V45 L48 K58 V59 D60 G65 L66 W75W25-F62 HydrophobicContact CZ3-CB 4.1Å; I28-F62 HydrophobicContact CB-CE1 4.39Å; I28-F62 HydrophobicContact CD1-CB 4.43Å; I28-F62 HydrophobicContact CD1-CD1 3.5Å; I28-F62 HydrophobicContact CD1-CE1 3.97Å; I28-F62 HydrophobicContact CD1-CG 4.11Å; I28-F62 HydrophobicContact CG1-CD1 3.85Å; I28-F62 HydrophobicContact CG1-CE1 3.77Å; I28-F62 HydrophobicContact CG1-CZ 4.48Å; I28-F62 HydrophobicContact CG2-CD1 3.87Å; I28-F62 HydrophobicContact CG2-CD2 3.84Å; I28-F62 HydrophobicContact CG2-CE1 3.74Å; I28-F62 HydrophobicContact CG2-CE2 3.73Å; I28-F62 HydrophobicContact CG2-CG 3.9Å; I28-F62 HydrophobicContact CG2-CZ 3.67Å; V41-F62 HydrophobicContact CG1-CE2 3.88Å; V41-F62 HydrophobicContact CG1-CZ 4.14Å; L44-F62 HydrophobicContact CD2-CD2 4.05Å; L44-F62 HydrophobicContact CD2-CE2 4.41Å; L44-F62 HydrophobicContact CG-CD2 4.41Å; V45-F62 HydrophobicContact CG2-CD2 3.82Å; V45-F62 HydrophobicContact CG2-CE2 3.5Å; V45-F62 HydrophobicContact CG2-CZ 4.48Å; L48-F62 HydrophobicContact CD1-CB 3.69Å; L48-F62 HydrophobicContact CD1-CD2 4.34Å; K58-F62 VanDerWaalsContact O-CB 3.25Å; K58-F62 WeakPolarHBondContact O-CB 3.47Å; K58-F62 PolarHBondContact O-N 3.21Å; V59-F62 WeakPolarHBondContact O-CB 3.25Å; V59-F62 PolarHBondContact O-N 3.4Å; D60-F62 VanDerWaalsContact C-N 3.31Å; D60-F62 PolarHBondContact O-N 3.06Å; F62-G65 PolarHBondContact O-N 3.45Å; F62-L66 HydrophobicContact CD1-CD1 4.04Å; F62-L66 HydrophobicContact CD1-CG 4.49Å; F62-L66 HydrophobicContact CE1-CD1 3.34Å; F62-L66 HydrophobicContact CE1-CG 4.09Å; F62-L66 HydrophobicContact CE2-CD1 4.18Å; F62-L66 HydrophobicContact CE2-CD2 4.35Å; F62-L66 HydrophobicContact CE2-CG 4.16Å; F62-L66 HydrophobicContact CZ-CD1 3.43Å; F62-L66 VanDerWaalsContact CZ-CD1 3.43Å; F62-L66 HydrophobicContact CZ-CD2 4.24Å; F62-L66 HydrophobicContact CZ-CG 3.91Å; F62-L66 WeakPolarHBondContact O-CG 3.32Å; F62-L66 PolarHBondContact O-N 3.15Å; F62-W75 HydrophobicContact CE1-CD2 4.09Å; F62-W75 AromaticContact CE1-CE2 3.86Å; F62-W75 HydrophobicContact CE1-CE3 4.28Å; F62-W75 HydrophobicContact CE1-CH2 4.07Å; F62-W75 AromaticContact CE1-CZ2 3.87Å; F62-W75 HydrophobicContact CE1-CZ2 3.87Å; F62-W75 HydrophobicContact CE1-CZ3 4.27Å; F62-W75 AromaticContact CZ-CD2 3.97Å; F62-W75 HydrophobicContact CZ-CD2 3.97Å; F62-W75 AromaticContact CZ-CE2 3.62Å; F62-W75 HydrophobicContact CZ-CG 4.26Å; F62-W75 HydrophobicContact CZ-CZ2 4.01Å; F62-W75 AromaticContact CZ-NE1 3.64Å
63F94.9Very high91.8Very high0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-67.3-38178.5-70.7-58.2000112.5I7 I10 V11 I14 V24 I28 V59 D60 G65 L66 F67 L72 W75I7-F63 HydrophobicContact CD1-CB 4.36Å; I7-F63 HydrophobicContact CG1-CB 3.91Å; I7-F63 HydrophobicContact CG2-CB 4.18Å; I7-F63 HydrophobicContact CG2-CD2 4.15Å; I10-F63 HydrophobicContact CG2-CD1 4.01Å; I10-F63 HydrophobicContact CG2-CE1 3.65Å; I10-F63 HydrophobicContact CG2-CE2 4.35Å; I10-F63 HydrophobicContact CG2-CZ 3.87Å; V11-F63 HydrophobicContact CG2-CD2 4.04Å; V11-F63 HydrophobicContact CG2-CE2 3.76Å; I14-F63 HydrophobicContact CD1-CE1 3.92Å; I14-F63 HydrophobicContact CD1-CE2 4.32Å; I14-F63 HydrophobicContact CD1-CZ 3.36Å; V24-F63 HydrophobicContact CG1-CE2 4.49Å; I28-F63 HydrophobicContact CD1-CE2 4.39Å; I28-F63 HydrophobicContact CD1-CZ 4.32Å; V59-F63 HydrophobicContact CG1-CD2 3.83Å; V59-F63 HydrophobicContact CG1-CE2 3.52Å; V59-F63 VanDerWaalsContact O-CD2 3.24Å; V59-F63 WeakPolarHBondContact O-CD2 3.29Å; V59-F63 PolarHBondContact O-N 3.18Å; V59-F63 VanDerWaalsContact O-N 3.1Å; D60-F63 PolarHBondContact O-N 3.31Å; F63-G65 VanDerWaalsContact C-N 3.3Å; F63-G65 PolarHBondContact O-N 2.99Å; F63-L66 HydrophobicContact CD1-CD1 4.27Å; F63-L66 PolarHBondContact O-N 2.76Å; F63-F67 WeakPolarHBondContact O-CD2 3.33Å; F63-F67 PolarHBondContact O-N 3.05Å; F63-L72 HydrophobicContact CD1-CD1 3.73Å; F63-L72 HydrophobicContact CE1-CD1 3.97Å; F63-W75 HydrophobicContact CE1-CE3 4.48Å; F63-W75 AromaticContact CE1-CZ3 3.93Å; F63-W75 HydrophobicContact CE1-CZ3 3.93Å; F63-W75 HydrophobicContact CZ-CZ3 4.37Å
64L91.4Very high92.3Very high21 Ų2130.6 Ų30.611%0.1116%0.156CC..Hα-helixtrans-60.7-42.3173-17557.9000111.3I7 D60 F67 R68 L146 F149I7-L64 HydrophobicContact CD1-CB 4.35Å; D60-L64 WeakPolarHBondContact O-CB 3.43Å; D60-L64 PolarHBondContact O-N 3.15Å; L64-F67 PolarHBondContact O-N 2.78Å; L64-R68 PolarHBondContact O-N 3.06Å; L64-R68 VanDerWaalsContact O-N 3.1Å; L64-L146 HydrophobicContact CB-CD2 3.76Å; L64-L146 HydrophobicContact CD2-CD2 3.5Å; L64-L146 VanDerWaalsContact CD2-CD2 3.5Å; L64-L146 HydrophobicContact CG-CD2 3.56Å; L64-F149 HydrophobicContact CD2-CB 4.31Å; L64-F149 HydrophobicContact CD2-CD1 4.13Å; L64-F149 HydrophobicContact CD2-CD2 4.26Å; L64-F149 HydrophobicContact CD2-CG 3.96Å
65G92.4Very high92.7Very high0 Ų027.9 Ų27.90%015%0.146CC..Hα-helixtrans-62.4-44.317400000112.8L61 F62 F63 F67 R68 L69L61-G65 PolarHBondContact O-N 3.02Å; F62-G65 PolarHBondContact O-N 3.45Å; F63-G65 VanDerWaalsContact C-N 3.3Å; F63-G65 PolarHBondContact O-N 2.99Å; G65-F67 VanDerWaalsContact C-N 3.33Å; G65-F67 PolarHBondContact O-N 3.25Å; G65-R68 PolarHBondContact O-N 3.1Å; G65-L69 WeakPolarHBondContact O-CB 3.44Å; G65-L69 WeakPolarHBondContact O-CG 3.48Å; G65-L69 PolarHBondContact O-N 3.18Å
66L93.6Very high93Very high0 Ų024.5 Ų24.50%013%0.131CC..Hα-helixtrans-62.6-36.9175.9-73.6-175.3000113.1V41 F62 F63 L69 Q70 S71 L72 W75V41-L66 HydrophobicContact CB-CD2 4.42Å; V41-L66 HydrophobicContact CG1-CD2 3.82Å; V41-L66 HydrophobicContact CG2-CD2 3.79Å; F62-L66 HydrophobicContact CD1-CD1 4.04Å; F62-L66 HydrophobicContact CD1-CG 4.49Å; F62-L66 HydrophobicContact CE1-CD1 3.34Å; F62-L66 HydrophobicContact CE1-CG 4.09Å; F62-L66 HydrophobicContact CE2-CD1 4.18Å; F62-L66 HydrophobicContact CE2-CD2 4.35Å; F62-L66 HydrophobicContact CE2-CG 4.16Å; F62-L66 HydrophobicContact CZ-CD1 3.43Å; F62-L66 VanDerWaalsContact CZ-CD1 3.43Å; F62-L66 HydrophobicContact CZ-CD2 4.24Å; F62-L66 HydrophobicContact CZ-CG 3.91Å; F62-L66 WeakPolarHBondContact O-CG 3.32Å; F62-L66 PolarHBondContact O-N 3.15Å; F63-L66 HydrophobicContact CD1-CD1 4.27Å; F63-L66 PolarHBondContact O-N 2.76Å; L66-L69 CarbonylContact O-C 3.57Å; L66-Q70 PolarHBondContact O-N 2.94Å; L66-S71 PolarHBondContact O-N 3Å; L66-L72 HydrophobicContact CB-CB 4Å; L66-L72 HydrophobicContact CB-CD1 4.41Å; L66-L72 HydrophobicContact CD1-CD1 3.77Å; L66-W75 HydrophobicContact CD1-CB 3.99Å; L66-W75 HydrophobicContact CD1-CD2 3.98Å; L66-W75 HydrophobicContact CD1-CE3 4.02Å; L66-W75 HydrophobicContact CD1-CG 3.96Å; L66-W75 HydrophobicContact CD2-CB 4.34Å
67F90.5Very high93.2Very high8 Ų820.7 Ų20.74%0.03511%0.114CC..Hα-helixtrans-63.9-42.9173.1-87.3-66.2000111.9V6 I7 I10 F63 L64 G65 L69 Q70 L72 Y118 F121V6-F67 HydrophobicContact CG1-CE1 4.37Å; V6-F67 HydrophobicContact CG1-CE2 3.88Å; V6-F67 HydrophobicContact CG1-CZ 3.39Å; I7-F67 HydrophobicContact CG1-CE2 4.32Å; I10-F67 HydrophobicContact CD1-CE2 3.83Å; I10-F67 HydrophobicContact CD1-CZ 3.83Å; F63-F67 WeakPolarHBondContact O-CD2 3.33Å; F63-F67 PolarHBondContact O-N 3.05Å; L64-F67 PolarHBondContact O-N 2.78Å; G65-F67 VanDerWaalsContact C-N 3.33Å; G65-F67 PolarHBondContact O-N 3.25Å; F67-L69 VanDerWaalsContact C-N 3.35Å; F67-Q70 PolarHBondContact O-N 3.27Å; F67-L72 HydrophobicContact CD2-CD2 4.4Å; F67-L72 HydrophobicContact CE1-CD2 3.82Å; F67-L72 HydrophobicContact CE2-CD2 3.7Å; F67-L72 HydrophobicContact CZ-CD2 3.34Å; F67-Y118 AromaticContact CD1-CD1 4Å; F67-Y118 HydrophobicContact CD1-CD1 4Å; F67-Y118 AromaticContact CD1-CE1 3.79Å; F67-Y118 HydrophobicContact CD1-CE1 3.79Å; F67-Y118 HydrophobicContact CE1-CD1 4.43Å; F67-Y118 HydrophobicContact CE1-CE1 4.14Å; F67-F121 HydrophobicContact CD1-CD2 4.08Å; F67-F121 AromaticContact CD1-CE2 3.91Å; F67-F121 HydrophobicContact CD1-CE2 3.91Å; F67-F121 HydrophobicContact CE1-CD2 4.46Å; F67-F121 AromaticContact CE1-CE2 3.95Å; F67-F121 HydrophobicContact CE1-CE2 3.95Å
68R87.6Confident93.3Very high37 Ų3723.8 Ų23.814%0.1413%0.125CC..Hα-helixtrans-64.8-40.7178.2-72.1-170.370.690.1-2.7112.1L64 G65 Q70 R125 T142 V145L64-R68 PolarHBondContact O-N 3.06Å; L64-R68 VanDerWaalsContact O-N 3.1Å; G65-R68 PolarHBondContact O-N 3.1Å; R68-Q70 PolarHBondContact O-N 3.39Å; R68-R125 PolarHBondContact O-NH2 2.79Å; R68-R125 VanDerWaalsContact O-NH2 3.08Å; R68-T142 HydrophobicContact CB-CG2 3.98Å; R68-V145 VanDerWaalsContact CZ-CG2 3.46Å; R68-V145 VanDerWaalsContact NH2-CG2 3.32Å
69L89.7Confident93.4Very high24 Ų2422.9 Ų22.913%0.12612%0.121CC..THydrogen-bonded Turntrans-78.40.7175.9-64.3173.6000113.7L44 G65 L66 F67 S71 L139 T142L44-L69 HydrophobicContact CD2-CD1 4.17Å; G65-L69 WeakPolarHBondContact O-CB 3.44Å; G65-L69 WeakPolarHBondContact O-CG 3.48Å; G65-L69 PolarHBondContact O-N 3.18Å; L66-L69 CarbonylContact O-C 3.57Å; F67-L69 VanDerWaalsContact C-N 3.35Å; L69-S71 PolarHBondContact O-N 3.27Å; L69-S71 PolarHBondContact O-OG 3.08Å; L69-L139 HydrophobicContact CD1-CD1 4.38Å; L69-T142 HydrophobicContact CG-CG2 4.38Å
70Q91.5Very high93.4Very high79 Ų7922.8 Ų22.837%0.36912%0.121SC..THydrogen-bonded Turntrans47.238.4-174.9-59.7-175.4-11.600113.4L66 F67 R68 Y118L66-Q70 PolarHBondContact O-N 2.94Å; F67-Q70 PolarHBondContact O-N 3.27Å; R68-Q70 PolarHBondContact O-N 3.39Å; Q70-Y118 HydrophobicContact CB-CD1 4.48Å; Q70-Y118 HydrophobicContact CB-CD2 4.19Å; Q70-Y118 HydrophobicContact CB-CE2 4.24Å; Q70-Y118 HydrophobicContact CB-CG 4.31Å; Q70-Y118 HydrophobicContact CG-CD1 4.37Å; Q70-Y118 HydrophobicContact CG-CG 4.2Å
71S92.5Very high93.5Very high23 Ų2325 Ų2516%0.16113%0.132CC..  trans-1205.5-168.3-68.60000113.3L66 L69 W75 Y118L66-S71 PolarHBondContact O-N 3Å; L69-S71 PolarHBondContact O-N 3.27Å; L69-S71 PolarHBondContact O-OG 3.08Å; S71-W75 VanDerWaalsContact O-CB 3.26Å; S71-W75 WeakPolarHBondContact O-CB 3.4Å; S71-W75 PolarHBondContact O-N 2.88Å; S71-Y118 PolarHBondContact N-OH 3.15Å
72L94.7Very high93.5Very high0 Ų027 Ų270%014%0.141CC..Hα-helixtrans-63.7-50.2-179.7176.963.4000113.3I10 F63 L66 F67 C74 W75 L76 I114 Y118I10-L72 HydrophobicContact CD1-CD2 3.45Å; I10-L72 VanDerWaalsContact CD1-CD2 3.45Å; I10-L72 HydrophobicContact CG1-CD2 4.47Å; F63-L72 HydrophobicContact CD1-CD1 3.73Å; F63-L72 HydrophobicContact CE1-CD1 3.97Å; L66-L72 HydrophobicContact CB-CB 4Å; L66-L72 HydrophobicContact CB-CD1 4.41Å; L66-L72 HydrophobicContact CD1-CD1 3.77Å; F67-L72 HydrophobicContact CD2-CD2 4.4Å; F67-L72 HydrophobicContact CE1-CD2 3.82Å; F67-L72 HydrophobicContact CE2-CD2 3.7Å; F67-L72 HydrophobicContact CZ-CD2 3.34Å; L72-C74 VanDerWaalsContact C-N 3.34Å; L72-C74 PolarHBondContact O-N 3.2Å; L72-W75 HydrophobicContact CD1-CE3 4.47Å; L72-W75 PolarHBondContact O-N 3.46Å; L72-L76 HydrophobicContact CD1-CD1 4.08Å; L72-L76 HydrophobicContact CD1-CG 4.09Å; L72-L76 HydrophobicContact CG-CD1 4.04Å; L72-L76 HydrophobicContact CG-CG 4.45Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 VanDerWaalsContact O-CG 3.29Å; L72-L76 WeakPolarHBondContact O-CG 3.4Å; L72-L76 PolarHBondContact O-N 3.24Å; L72-I114 HydrophobicContact CB-CG2 4.12Å; L72-I114 HydrophobicContact CD2-CD1 3.95Å; L72-I114 HydrophobicContact CD2-CG1 4.23Å; L72-I114 HydrophobicContact CD2-CG2 3.86Å; L72-I114 HydrophobicContact CG-CD1 4.19Å; L72-I114 HydrophobicContact CG-CG2 4.11Å; L72-Y118 WeakPolarHBondContact CA-OH 3.45Å; L72-Y118 HydrophobicContact CB-CE1 4.37Å; L72-Y118 VanDerWaalsContact CB-OH 3.27Å; L72-Y118 WeakPolarHBondContact CB-OH 3.29Å; L72-Y118 PolarHBondContact N-OH 3.1Å
73D94.6Very high93.5Very high15 Ų1530.6 Ų30.68%0.0816%0.16CC..Hα-helixtrans-60.5-41.7175.762.6-42.5000112.1S77 L111 I114 Q115 Y118D73-S77 VanDerWaalsContact O-CB 3.3Å; D73-S77 WeakPolarHBondContact O-CB 3.48Å; D73-S77 PolarHBondContact O-N 3.03Å; D73-S77 PolarHBondContact O-OG 3.08Å; D73-L111 HydrophobicContact CB-CD2 4.17Å; D73-I114 HydrophobicContact CB-CG2 4.06Å; D73-Q115 HydrophobicContact CB-CG 4.26Å; D73-Q115 WeakPolarHBondContact OD2-CG 3.5Å; D73-Q115 PolarHBondContact OD2-NE2 2.83Å; D73-Y118 PolarHBondContact N-OH 3.26Å; D73-Y118 WeakPolarHBondContact OD1-CE2 3.45Å; D73-Y118 PolarHBondContact OD1-OH 3.29Å
74C94.1Very high93.5Very high79 Ų7936.6 Ų36.653%0.53419%0.192SC..Hα-helixtrans-61.5-47173.2-71.60000111.7L72 S77 Y78L72-C74 VanDerWaalsContact C-N 3.34Å; L72-C74 PolarHBondContact O-N 3.2Å; C74-S77 PolarHBondContact O-N 3.35Å; C74-Y78 WeakPolarHBondContact O-CB 3.27Å; C74-Y78 PolarHBondContact O-N 2.78Å
75W95.7Very high93.6Very high10 Ų1036.8 Ų36.84%0.03819%0.193CC..Hα-helixtrans-66.2-42179.4179.883.2000112.2I14 I28 A31 T32 F62 F63 L66 S71 L72 Y78 L79I14-W75 HydrophobicContact CD1-CH2 4.27Å; I14-W75 HydrophobicContact CD1-CZ3 4Å; I28-W75 HydrophobicContact CB-CZ2 4.45Å; I28-W75 HydrophobicContact CG1-CH2 4.02Å; I28-W75 HydrophobicContact CG1-CZ2 3.98Å; A31-W75 HydrophobicContact CB-CZ2 4.22Å; T32-W75 PolarHBondContact OG1-NE1 3.25Å; F62-W75 HydrophobicContact CE1-CD2 4.09Å; F62-W75 AromaticContact CE1-CE2 3.86Å; F62-W75 HydrophobicContact CE1-CE3 4.28Å; F62-W75 HydrophobicContact CE1-CH2 4.07Å; F62-W75 AromaticContact CE1-CZ2 3.87Å; F62-W75 HydrophobicContact CE1-CZ2 3.87Å; F62-W75 HydrophobicContact CE1-CZ3 4.27Å; F62-W75 AromaticContact CZ-CD2 3.97Å; F62-W75 HydrophobicContact CZ-CD2 3.97Å; F62-W75 AromaticContact CZ-CE2 3.62Å; F62-W75 HydrophobicContact CZ-CG 4.26Å; F62-W75 HydrophobicContact CZ-CZ2 4.01Å; F62-W75 AromaticContact CZ-NE1 3.64Å; F63-W75 HydrophobicContact CE1-CE3 4.48Å; F63-W75 AromaticContact CE1-CZ3 3.93Å; F63-W75 HydrophobicContact CE1-CZ3 3.93Å; F63-W75 HydrophobicContact CZ-CZ3 4.37Å; L66-W75 HydrophobicContact CD1-CB 3.99Å; L66-W75 HydrophobicContact CD1-CD2 3.98Å; L66-W75 HydrophobicContact CD1-CE3 4.02Å; L66-W75 HydrophobicContact CD1-CG 3.96Å; L66-W75 HydrophobicContact CD2-CB 4.34Å; S71-W75 VanDerWaalsContact O-CB 3.26Å; S71-W75 WeakPolarHBondContact O-CB 3.4Å; S71-W75 PolarHBondContact O-N 2.88Å; L72-W75 HydrophobicContact CD1-CE3 4.47Å; L72-W75 PolarHBondContact O-N 3.46Å; W75-Y78 WeakPolarHBondContact O-CB 3.46Å; W75-Y78 PolarHBondContact O-N 2.98Å; W75-L79 HydrophobicContact CH2-CD2 3.88Å; W75-L79 HydrophobicContact CZ3-CD2 4.03Å; W75-L79 WeakPolarHBondContact O-CB 3.33Å; W75-L79 PolarHBondContact O-N 2.96Å
76L96.6Very high93.8Very high0 Ų036.9 Ų36.90%019%0.194CC..Hα-helixtrans-61.4-48174.3-76.8175.2000110.7M13 I14 L72 Y78 L79 V80 Y107 L111 I114M13-L76 HydrophobicContact CE-CD1 4.28Å; M13-L76 HydrophobicContact CE-CD2 3.79Å; I14-L76 HydrophobicContact CD1-CD2 4.46Å; L72-L76 HydrophobicContact CD1-CD1 4.08Å; L72-L76 HydrophobicContact CD1-CG 4.09Å; L72-L76 HydrophobicContact CG-CD1 4.04Å; L72-L76 HydrophobicContact CG-CG 4.45Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 VanDerWaalsContact O-CG 3.29Å; L72-L76 WeakPolarHBondContact O-CG 3.4Å; L72-L76 PolarHBondContact O-N 3.24Å; L76-Y78 PolarHBondContact O-N 2.87Å; L76-L79 HydrophobicContact CD2-CD2 4.49Å; L76-L79 WeakPolarHBondContact O-CB 3.35Å; L76-L79 PolarHBondContact O-N 3.3Å; L76-L79 VanDerWaalsContact O-N 3.1Å; L76-V80 PolarHBondContact O-N 3.06Å; L76-V80 VanDerWaalsContact O-N 3.15Å; L76-Y107 WeakPolarHBondContact CB-OH 3.38Å; L76-Y107 PolarHBondContact O-OH 3.09Å; L76-L111 HydrophobicContact CB-CD2 3.88Å; L76-L111 HydrophobicContact CD1-CD2 4.18Å; L76-I114 HydrophobicContact CD1-CD1 3.41Å; L76-I114 VanDerWaalsContact CD1-CD1 3.41Å
77S95Very high93.9Very high45 Ų4544.9 Ų44.932%0.31522%0.224SC..Hα-helixtrans-55.6-42.2175-61.30000111.4D73 C74 V80 L81 L111D73-S77 VanDerWaalsContact O-CB 3.3Å; D73-S77 WeakPolarHBondContact O-CB 3.48Å; D73-S77 PolarHBondContact O-N 3.03Å; D73-S77 PolarHBondContact O-OG 3.08Å; C74-S77 PolarHBondContact O-N 3.35Å; S77-V80 VanDerWaalsContact O-CG2 3.22Å; S77-V80 WeakPolarHBondContact O-CG2 3.32Å; S77-L81 WeakPolarHBondContact O-CG 3.1Å; S77-L111 WeakPolarHBondContact OG-CD1 3.41Å
78Y94.3Very high94.1Very high79 Ų7952.3 Ų52.331%0.3126%0.256SS..Hα-helixtrans-67.6-39176.2-174-112.2000113.4A31 T38 C74 W75 L76 V80 L81 K82A31-Y78 WeakPolarHBondContact O-CE1 3.39Å; T38-Y78 HydrophobicContact CG2-CE1 4.36Å; C74-Y78 WeakPolarHBondContact O-CB 3.27Å; C74-Y78 PolarHBondContact O-N 2.78Å; W75-Y78 WeakPolarHBondContact O-CB 3.46Å; W75-Y78 PolarHBondContact O-N 2.98Å; L76-Y78 PolarHBondContact O-N 2.87Å; Y78-V80 VanDerWaalsContact C-N 3.34Å; Y78-V80 PolarHBondContact O-N 3.01Å; Y78-L81 WeakPolarHBondContact O-CB 3.35Å; Y78-L81 PolarHBondContact O-N 3.46Å; Y78-K82 HydrophobicContact CE1-CD 4.49Å; Y78-K82 VanDerWaalsContact CE1-NZ 3.33Å; Y78-K82 PolarHBondContact OH-NZ 3Å
79L95.6Very high94.4Very high0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-57.5-46.4177.8174.763.3000111.2V27 A31 W75 L76 L81 K82 L85 L96V27-L79 HydrophobicContact CG1-CD1 3.97Å; A31-L79 HydrophobicContact CB-CD1 3.67Å; W75-L79 HydrophobicContact CH2-CD2 3.88Å; W75-L79 HydrophobicContact CZ3-CD2 4.03Å; W75-L79 WeakPolarHBondContact O-CB 3.33Å; W75-L79 PolarHBondContact O-N 2.96Å; L76-L79 HydrophobicContact CD2-CD2 4.49Å; L76-L79 WeakPolarHBondContact O-CB 3.35Å; L76-L79 PolarHBondContact O-N 3.3Å; L76-L79 VanDerWaalsContact O-N 3.1Å; L79-L81 PolarHBondContact O-N 3.44Å; L79-K82 WeakPolarHBondContact O-CB 3.43Å; L79-K82 PolarHBondContact O-N 3.14Å; L79-L85 HydrophobicContact CD1-CD2 3.64Å; L79-L96 HydrophobicContact CD2-CD1 3.99Å
80V96Very high94.7Very high6 Ų650 Ų504%0.03625%0.247CC..Hα-helixtrans-72.2-14.4-177.8-62.70000114.1L76 S77 Y78 K82 L96 A99 R100 Y107L76-V80 PolarHBondContact O-N 3.06Å; L76-V80 VanDerWaalsContact O-N 3.15Å; S77-V80 VanDerWaalsContact O-CG2 3.22Å; S77-V80 WeakPolarHBondContact O-CG2 3.32Å; Y78-V80 VanDerWaalsContact C-N 3.34Å; Y78-V80 PolarHBondContact O-N 3.01Å; V80-K82 VanDerWaalsContact C-N 3.28Å; V80-L96 HydrophobicContact CG1-CD2 4.19Å; V80-A99 HydrophobicContact CB-CB 4.32Å; V80-A99 HydrophobicContact CG1-CB 3.66Å; V80-R100 HydrophobicContact CB-CG 4.09Å; V80-R100 HydrophobicContact CG2-CG 3.94Å; V80-R100 WeakPolarHBondContact O-CD 3.26Å; V80-Y107 HydrophobicContact CG1-CE1 4.09Å; V80-Y107 HydrophobicContact CG1-CE2 3.85Å; V80-Y107 VanDerWaalsContact CG1-CZ 3.49Å; V80-Y107 VanDerWaalsContact CG1-OH 3.25Å; V80-Y107 WeakPolarHBondContact CG1-OH 3.3Å; V80-Y107 HydrophobicContact CG2-CE1 3.7Å
81L94.5Very high94.9Very high100 Ų10049 Ų4952%0.52424%0.243SC..THydrogen-bonded Turntrans-76.4-16.2170.8-64175.9000112.7S77 Y78 L79 D83S77-L81 WeakPolarHBondContact O-CG 3.1Å; Y78-L81 WeakPolarHBondContact O-CB 3.35Å; Y78-L81 PolarHBondContact O-N 3.46Å; L79-L81 PolarHBondContact O-N 3.44Å; L81-D83 VanDerWaalsContact C-N 3.27Å; L81-D83 PolarHBondContact O-N 2.83Å
82K93.5Very high94.9Very high42 Ų4256.3 Ų56.318%0.18327%0.273CS..  trans-85.364.6-179-63.3-166.1177.7-56.50112A31 Y78 L79 V80 N84 L85 L86A31-K82 HydrophobicContact CB-CD 4.35Å; A31-K82 WeakPolarHBondContact O-CE 3.31Å; Y78-K82 HydrophobicContact CE1-CD 4.49Å; Y78-K82 VanDerWaalsContact CE1-NZ 3.33Å; Y78-K82 PolarHBondContact OH-NZ 3Å; L79-K82 WeakPolarHBondContact O-CB 3.43Å; L79-K82 PolarHBondContact O-N 3.14Å; V80-K82 VanDerWaalsContact C-N 3.28Å; K82-N84 PolarHBondContact O-N 3.3Å; K82-N84 VanDerWaalsContact O-N 3.08Å; K82-L85 HydrophobicContact CB-CB 3.66Å; K82-L85 HydrophobicContact CB-CD2 4.24Å; K82-L85 HydrophobicContact CD-CB 4.4Å; K82-L85 HydrophobicContact CD-CD2 4.22Å; K82-L85 WeakPolarHBondContact O-CA 3.39Å; K82-L85 VanDerWaalsContact O-CB 3.3Å; K82-L85 WeakPolarHBondContact O-CB 3Å; K82-L85 PolarHBondContact O-N 3.28Å; K82-L86 PolarHBondContact O-N 2.62Å
83D94.2Very high94.9Very high75 Ų7557.7 Ų57.740%0.40128%0.282SS..Hα-helixtrans-49.5-41.1-179-81.4-63.1000113.6L81 L86 R87 R100L81-D83 VanDerWaalsContact C-N 3.27Å; L81-D83 PolarHBondContact O-N 2.83Å; D83-L86 PolarHBondContact O-N 2.79Å; D83-R87 WeakPolarHBondContact O-CB 3.29Å; D83-R87 VanDerWaalsContact O-CG 3.29Å; D83-R87 WeakPolarHBondContact O-CG 3.38Å; D83-R87 PolarHBondContact O-N 2.86Å; D83-R100 IonicContact OD2-NH1 2.68Å; D83-R100 PolarHBondContact OD2-NH1 3.04Å
84N94.7Very high94.9Very high126 Ų12657 Ų5767%0.67428%0.278SS*.Hα-helixtrans-67.4-36177.6-71.8-31000113.3K82 K88K82-N84 PolarHBondContact O-N 3.3Å; K82-N84 VanDerWaalsContact O-N 3.08Å; N84-K88 WeakPolarHBondContact O-CD 3.44Å; N84-K88 VanDerWaalsContact O-CG 3.24Å; N84-K88 WeakPolarHBondContact O-CG 3.49Å; N84-K88 PolarHBondContact O-N 2.79Å
85L94.8Very high95Very high24 Ų2453.9 Ų53.913%0.12626%0.256CS..Hα-helixtrans-67.3-50.5173.8-178.991.1000109.3V27 A31 L79 K82 R87 K88 C89V27-L85 HydrophobicContact CG1-CD2 4.39Å; A31-L85 HydrophobicContact CB-CD2 3.97Å; L79-L85 HydrophobicContact CD1-CD2 3.64Å; K82-L85 HydrophobicContact CB-CB 3.66Å; K82-L85 HydrophobicContact CB-CD2 4.24Å; K82-L85 HydrophobicContact CD-CB 4.4Å; K82-L85 HydrophobicContact CD-CD2 4.22Å; K82-L85 WeakPolarHBondContact O-CA 3.39Å; K82-L85 VanDerWaalsContact O-CB 3.3Å; K82-L85 WeakPolarHBondContact O-CB 3Å; K82-L85 PolarHBondContact O-N 3.28Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.07Å; L85-K88 PolarHBondContact O-N 3.5Å; L85-C89 PolarHBondContact O-N 3.2Å
86L96Very high95Very high3 Ų353.5 Ų53.52%0.01625%0.254CS..Hα-helixtrans-59-41.3-177.5-67.3-176.4000112K82 D83 K88 Y90 L96 R97K82-L86 PolarHBondContact O-N 2.62Å; D83-L86 PolarHBondContact O-N 2.79Å; L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.49Å; L86-Y90 HydrophobicContact CD2-CD2 3.93Å; L86-Y90 HydrophobicContact CD2-CE2 3.83Å; L86-Y90 VanDerWaalsContact O-CB 3.3Å; L86-Y90 WeakPolarHBondContact O-CB 3.39Å; L86-Y90 WeakPolarHBondContact O-CD2 3.12Å; L86-Y90 PolarHBondContact O-N 2.95Å; L86-L96 WeakPolarHBondContact CD1-O 3.17Å; L86-L96 HydrophobicContact CD2-CB 4.09Å; L86-R97 HydrophobicContact CB-CG 4.15Å
87R95.2Very high95Very high167 Ų16757.1 Ų57.163%0.6327%0.268SS*.Hα-helixtrans-65.7-28.7176.2-73.1178-172.1-149.64.1113.9D83 L85D83-R87 WeakPolarHBondContact O-CB 3.29Å; D83-R87 VanDerWaalsContact O-CG 3.29Å; D83-R87 WeakPolarHBondContact O-CG 3.38Å; D83-R87 PolarHBondContact O-N 2.86Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.07Å
88K94.8Very high95Very high165 Ų16555.4 Ų55.472%0.71726%0.257SS*.Hα-helixtrans-81.1-39.1179.7-73.6175.8-178.5-169.40112.1N84 L85 L86N84-K88 WeakPolarHBondContact O-CD 3.44Å; N84-K88 VanDerWaalsContact O-CG 3.24Å; N84-K88 WeakPolarHBondContact O-CG 3.49Å; N84-K88 PolarHBondContact O-N 2.79Å; L85-K88 PolarHBondContact O-N 3.5Å; L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.49Å
89C94.9Very high95.1Very high8 Ų851.7 Ų51.75%0.05424%0.243CC..Hα-helixtrans-93.4-20.9-173.2-59.80000113.6L18 V19 V27 L85L18-C89 HydrophobicContact CD1-CB 4.13Å; V19-C89 WeakPolarHBondContact CG2-O 3.44Å; V19-C89 PolarHBondContact N-O 3.32Å; V27-C89 HydrophobicContact CG2-CB 4.26Å; L85-C89 PolarHBondContact O-N 3.2Å
90Y96.3Very high95.1Very high4 Ų458 Ų582%0.01627%0.267CS..BIsolated β-bridgetrans-126142.9-168.9-62.6-94.9000115.1I14 D16 G17 L18 V27 L86 A94 L96 R97I14-Y90 WeakPolarHBondContact CG2-OH 3.37Å; I14-Y90 WeakPolarHBondContact O-CE1 3.45Å; I14-Y90 PolarHBondContact O-OH 3.43Å; D16-Y90 WeakPolarHBondContact O-CD1 3.24Å; G17-Y90 CarbonylContact O-C 3.57Å; G17-Y90 WeakPolarHBondContact O-CA 3.1Å; L18-Y90 HydrophobicContact CB-CD1 4.36Å; L18-Y90 HydrophobicContact CB-CE1 4.13Å; L18-Y90 HydrophobicContact CD1-CD1 4.22Å; L18-Y90 HydrophobicContact CD1-CE1 3.76Å; L18-Y90 HydrophobicContact CD1-CE2 4.11Å; V27-Y90 HydrophobicContact CG1-CE2 4.47Å; V27-Y90 HydrophobicContact CG2-CE2 4.35Å; L86-Y90 HydrophobicContact CD2-CD2 3.93Å; L86-Y90 HydrophobicContact CD2-CE2 3.83Å; L86-Y90 VanDerWaalsContact O-CB 3.3Å; L86-Y90 WeakPolarHBondContact O-CB 3.39Å; L86-Y90 WeakPolarHBondContact O-CD2 3.12Å; L86-Y90 PolarHBondContact O-N 2.95Å; Y90-A94 HydrophobicContact CD1-CB 3.9Å; Y90-A94 HydrophobicContact CG-CB 4.23Å; Y90-L96 HydrophobicContact CE1-CD1 3.88Å; Y90-L96 HydrophobicContact CE2-CD1 4.35Å; Y90-L96 WeakPolarHBondContact OH-CD1 3.36Å; Y90-R97 WeakPolarHBondContact O-CD 3.22Å; Y90-R97 PolarHBondContact O-NH1 3.32Å
91L95Very high95Very high57 Ų5761 Ų6130%0.29829%0.288SS..  trans-56.4149.2167-64.1-177.5000111.4G17 V19 S93 A94 R97G17-L91 WeakPolarHBondContact O-CG 3.37Å; G17-L91 PolarHBondContact O-N 3.42Å; V19-L91 HydrophobicContact CG2-CD2 4.21Å; L91-S93 PolarHBondContact O-N 2.87Å; L91-S93 VanDerWaalsContact O-N 3.13Å; L91-A94 WeakPolarHBondContact O-CB 3.4Å; L91-A94 PolarHBondContact O-N 2.97Å; L91-R97 WeakPolarHBondContact O-CD 3.07Å
92K93.5Very high95Very high178 Ų17862 Ų6277%0.77430%0.298SS*.THydrogen-bonded Turntrans-58.3-28.6-179.6-171.1179.3175.8-172.90114.3A94K92-A94 VanDerWaalsContact C-N 3.35Å
93S92.8Very high95.1Very high29 Ų2963 Ų6320%0.20330%0.301CS..THydrogen-bonded Turntrans-82-8176.852.60000114.1L91 I190L91-S93 PolarHBondContact O-N 2.87Å; L91-S93 VanDerWaalsContact O-N 3.13Å; S93-I190 WeakPolarHBondContact O-CD1 3.37Å
94A94.8Very high95.2Very high0 Ų061.9 Ų61.90%030%0.299CS..  trans-60.1140.4-177.600000112.3D16 Y90 L91 K92 L96 R97 G98D16-A94 VanDerWaalsContact O-CB 3.32Å; D16-A94 WeakPolarHBondContact O-CB 3.21Å; Y90-A94 HydrophobicContact CD1-CB 3.9Å; Y90-A94 HydrophobicContact CG-CB 4.23Å; L91-A94 WeakPolarHBondContact O-CB 3.4Å; L91-A94 PolarHBondContact O-N 2.97Å; K92-A94 VanDerWaalsContact C-N 3.35Å; A94-L96 VanDerWaalsContact C-N 3.33Å; A94-L96 PolarHBondContact O-N 3.37Å; A94-R97 HydrophobicContact CB-CG 4.46Å; A94-R97 WeakPolarHBondContact O-CB 2.95Å; A94-R97 PolarHBondContact O-N 3.26Å; A94-G98 PolarHBondContact O-N 3.18Å
95F96.4Very high95.3Very high14 Ų1463.3 Ų63.36%0.06130%0.3CS..Hα-helixtrans-53.4-47.8178.8177-102.5000111.8M13 D16 R97 G98 A99 Y103 L106 Y107 I110M13-F95 HydrophobicContact CG-CD1 3.72Å; M13-F95 HydrophobicContact CG-CE1 3.84Å; M13-F95 HydrophobicContact SD-CD1 4.25Å; M13-F95 HydrophobicContact SD-CE1 3.77Å; D16-F95 HydrophobicContact CB-CB 4.43Å; D16-F95 WeakPolarHBondContact OD2-CA 3.17Å; D16-F95 WeakPolarHBondContact OD2-CB 3.36Å; D16-F95 PolarHBondContact OD2-N 3.38Å; F95-R97 PolarHBondContact O-N 2.89Å; F95-G98 CarbonylContact O-C 3.45Å; F95-G98 WeakPolarHBondContact O-CA 3.43Å; F95-G98 PolarHBondContact O-N 3.36Å; F95-A99 PolarHBondContact O-N 2.87Å; F95-Y103 AromaticContact CD2-CD2 3.77Å; F95-Y103 HydrophobicContact CD2-CD2 3.77Å; F95-Y103 AromaticContact CD2-CG 3.88Å; F95-Y103 HydrophobicContact CD2-CG 3.88Å; F95-Y103 HydrophobicContact CE2-CD2 4.32Å; F95-Y103 HydrophobicContact CE2-CG 4.01Å; F95-Y103 HydrophobicContact CG-CD2 4.45Å; F95-Y103 WeakPolarHBondContact O-CD2 3.48Å; F95-L106 HydrophobicContact CE2-CB 4.41Å; F95-L106 HydrophobicContact CE2-CD2 3.73Å; F95-L106 HydrophobicContact CE2-CG 3.99Å; F95-L106 HydrophobicContact CZ-CD2 4.37Å; F95-L106 HydrophobicContact CZ-CG 4.19Å; F95-Y107 AromaticContact CE1-CD2 3.88Å; F95-Y107 HydrophobicContact CE1-CD2 3.88Å; F95-Y107 HydrophobicContact CZ-CD2 4.18Å; F95-I110 HydrophobicContact CE1-CD1 3.97Å; F95-I110 HydrophobicContact CZ-CD1 3.69Å
96L96.6Very high95.4Very high1 Ų166.2 Ų66.21%0.00532%0.315CS..Hα-helixtrans-62.5-26.9-180-68.5-177.6000113.4I14 L79 V80 L86 Y90 A94 A99 Y107I14-L96 HydrophobicContact CG1-CD1 4.33Å; L79-L96 HydrophobicContact CD2-CD1 3.99Å; V80-L96 HydrophobicContact CG1-CD2 4.19Å; L86-L96 WeakPolarHBondContact CD1-O 3.17Å; L86-L96 HydrophobicContact CD2-CB 4.09Å; Y90-L96 HydrophobicContact CE1-CD1 3.88Å; Y90-L96 HydrophobicContact CE2-CD1 4.35Å; Y90-L96 WeakPolarHBondContact OH-CD1 3.36Å; A94-L96 VanDerWaalsContact C-N 3.33Å; A94-L96 PolarHBondContact O-N 3.37Å; L96-A99 WeakPolarHBondContact O-CB 3.44Å; L96-Y107 HydrophobicContact CD2-CE2 4.27Å
97R95.6Very high95.5Very high77 Ų7766.2 Ų66.229%0.29132%0.315SS..Hα-helixtrans-75.5-27.4173.4-73.6-168.762.8-176.5-7.5113.1L86 Y90 L91 A94 F95L86-R97 HydrophobicContact CB-CG 4.15Å; Y90-R97 WeakPolarHBondContact O-CD 3.22Å; Y90-R97 PolarHBondContact O-NH1 3.32Å; L91-R97 WeakPolarHBondContact O-CD 3.07Å; A94-R97 HydrophobicContact CB-CG 4.46Å; A94-R97 WeakPolarHBondContact O-CB 2.95Å; A94-R97 PolarHBondContact O-N 3.26Å; F95-R97 PolarHBondContact O-N 2.89Å
98G95.5Very high95.6Very high8 Ų863.8 Ų63.88%0.08231%0.311CS..Hα-helixtrans-90.7-7.6173.800000114.1A94 F95 R100 S101 V102 Y103A94-G98 PolarHBondContact O-N 3.18Å; F95-G98 CarbonylContact O-C 3.45Å; F95-G98 WeakPolarHBondContact O-CA 3.43Å; F95-G98 PolarHBondContact O-N 3.36Å; G98-R100 PolarHBondContact O-N 2.99Å; G98-R100 VanDerWaalsContact O-N 3.1Å; G98-S101 CarbonylContact O-C 3.39Å; G98-S101 PolarHBondContact O-N 3.26Å; G98-S101 PolarHBondContact O-OG 3.25Å; G98-V102 PolarHBondContact O-N 2.96Å; G98-Y103 VanDerWaalsContact CA-CD2 3.47Å; G98-Y103 PolarHBondContact O-N 2.84Å
99A96.6Very high95.7Very high1 Ų161.4 Ų61.41%0.00830%0.3CS..THydrogen-bonded Turntrans-56.9-28.6-17300000114.5V80 F95 L96 S104 Y107V80-A99 HydrophobicContact CB-CB 4.32Å; V80-A99 HydrophobicContact CG1-CB 3.66Å; F95-A99 PolarHBondContact O-N 2.87Å; L96-A99 WeakPolarHBondContact O-CB 3.44Å; A99-S104 WeakPolarHBondContact O-CA 3.29Å; A99-S104 PolarHBondContact O-N 2.86Å; A99-Y107 HydrophobicContact CB-CD1 4.31Å; A99-Y107 HydrophobicContact CB-CD2 3.61Å; A99-Y107 HydrophobicContact CB-CE2 3.99Å; A99-Y107 HydrophobicContact CB-CG 3.79Å
100R95.6Very high95.8Very high133 Ų13363.2 Ų63.250%0.50231%0.309SS..THydrogen-bonded Turntrans-100.67.8176.1-69.6176.362.5-151.1-0.9114.1V80 D83 G98V80-R100 HydrophobicContact CB-CG 4.09Å; V80-R100 HydrophobicContact CG2-CG 3.94Å; V80-R100 WeakPolarHBondContact O-CD 3.26Å; D83-R100 IonicContact OD2-NH1 2.68Å; D83-R100 PolarHBondContact OD2-NH1 3.04Å; G98-R100 PolarHBondContact O-N 2.99Å; G98-R100 VanDerWaalsContact O-N 3.1Å
101S94.7Very high95.8Very high68 Ų6863.4 Ų63.448%0.47631%0.31SS..THydrogen-bonded Turntrans-135.9-104-177.759.80000110.5G98 Y103 S104G98-S101 CarbonylContact O-C 3.39Å; G98-S101 PolarHBondContact O-N 3.26Å; G98-S101 PolarHBondContact O-OG 3.25Å; S101-Y103 PolarHBondContact O-N 3.46Å; S101-S104 VanDerWaalsContact O-CB 3.31Å; S101-S104 WeakPolarHBondContact O-CB 3.4Å; S101-S104 PolarHBondContact O-N 3.19Å; S101-S104 VanDerWaalsContact O-N 3.09Å; S101-S104 PolarHBondContact O-OG 3.44Å
102V94.4Very high95.8Very high121 Ų12163 Ų6373%0.73331%0.314SS*.THydrogen-bonded Turntrans-61-29.9-174.6-174.90000112.1G98G98-V102 PolarHBondContact O-N 2.96Å
103Y95.2Very high95.9Very high63 Ų6361.4 Ų61.425%0.24731%0.308CS..THydrogen-bonded Turntrans-104.910.6-179.7-50.5-46.9000113.7F95 G98 S101 F105 L106 Y107 I190F95-Y103 AromaticContact CD2-CD2 3.77Å; F95-Y103 HydrophobicContact CD2-CD2 3.77Å; F95-Y103 AromaticContact CD2-CG 3.88Å; F95-Y103 HydrophobicContact CD2-CG 3.88Å; F95-Y103 HydrophobicContact CE2-CD2 4.32Å; F95-Y103 HydrophobicContact CE2-CG 4.01Å; F95-Y103 HydrophobicContact CG-CD2 4.45Å; F95-Y103 WeakPolarHBondContact O-CD2 3.48Å; G98-Y103 VanDerWaalsContact CA-CD2 3.47Å; G98-Y103 PolarHBondContact O-N 2.84Å; S101-Y103 PolarHBondContact O-N 3.46Å; Y103-F105 PolarHBondContact O-N 3.16Å; Y103-L106 PolarHBondContact O-N 3.37Å; Y103-Y107 WeakPolarHBondContact O-CB 3.48Å; Y103-Y107 PolarHBondContact O-N 2.96Å; Y103-I190 HydrophobicContact CE1-CD1 4.32Å; Y103-I190 HydrophobicContact CE2-CD1 3.61Å; Y103-I190 VanDerWaalsContact CZ-CD1 3.41Å; Y103-I190 WeakPolarHBondContact OH-CD1 3.44Å
104S96.5Very high95.9Very high53 Ų5360.4 Ų60.437%0.37130%0.3SS..Hα-helixtrans-51.3-51.2-177.555.90000112.9A99 S101 L106 Y107 E108A99-S104 WeakPolarHBondContact O-CA 3.29Å; A99-S104 PolarHBondContact O-N 2.86Å; S101-S104 VanDerWaalsContact O-CB 3.31Å; S101-S104 WeakPolarHBondContact O-CB 3.4Å; S101-S104 PolarHBondContact O-N 3.19Å; S101-S104 VanDerWaalsContact O-N 3.09Å; S101-S104 PolarHBondContact O-OG 3.44Å; S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact O-N 2.79Å; S104-Y107 WeakPolarHBondContact O-CB 3.25Å; S104-Y107 PolarHBondContact O-N 3.44Å; S104-E108 WeakPolarHBondContact O-CG 3.41Å; S104-E108 PolarHBondContact O-N 3.03Å
105F97Very high95.8Very high155 Ų15565 Ų6568%0.6832%0.321SS*.Hα-helixtrans-59.4-40.5178.2-179.3-103.7000113.8Y103 K109Y103-F105 PolarHBondContact O-N 3.16Å; F105-K109 HydrophobicContact CD1-CD 4.06Å; F105-K109 HydrophobicContact CE1-CD 3.51Å; F105-K109 HydrophobicContact CE1-CG 4.47Å; F105-K109 HydrophobicContact CE2-CD 4.47Å; F105-K109 HydrophobicContact CZ-CD 3.75Å; F105-K109 HydrophobicContact CZ-CG 4.46Å; F105-K109 WeakPolarHBondContact O-CG 3.48Å; F105-K109 PolarHBondContact O-N 3.34Å
106L96.5Very high95.5Very high86 Ų8667.7 Ų67.745%0.4534%0.342SS..Hα-helixtrans-70.3-39.4178.1179.754.7000111F95 Y103 S104 K109 I110F95-L106 HydrophobicContact CE2-CB 4.41Å; F95-L106 HydrophobicContact CE2-CD2 3.73Å; F95-L106 HydrophobicContact CE2-CG 3.99Å; F95-L106 HydrophobicContact CZ-CD2 4.37Å; F95-L106 HydrophobicContact CZ-CG 4.19Å; Y103-L106 PolarHBondContact O-N 3.37Å; S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact O-N 2.79Å; L106-K109 WeakPolarHBondContact O-CB 3.38Å; L106-K109 PolarHBondContact O-N 3.46Å; L106-I110 HydrophobicContact CG-CD1 4.44Å; L106-I110 WeakPolarHBondContact O-CG1 3.33Å; L106-I110 PolarHBondContact O-N 3.19Å
107Y97.4Very high95.3Very high3 Ų369.8 Ų69.81%0.01235%0.353CS..Hα-helixtrans-62.9-48177.5-169-104.2000112L76 V80 F95 L96 A99 Y103 S104 K109 I110 L111L76-Y107 WeakPolarHBondContact CB-OH 3.38Å; L76-Y107 PolarHBondContact O-OH 3.09Å; V80-Y107 HydrophobicContact CG1-CE1 4.09Å; V80-Y107 HydrophobicContact CG1-CE2 3.85Å; V80-Y107 VanDerWaalsContact CG1-CZ 3.49Å; V80-Y107 VanDerWaalsContact CG1-OH 3.25Å; V80-Y107 WeakPolarHBondContact CG1-OH 3.3Å; V80-Y107 HydrophobicContact CG2-CE1 3.7Å; F95-Y107 AromaticContact CE1-CD2 3.88Å; F95-Y107 HydrophobicContact CE1-CD2 3.88Å; F95-Y107 HydrophobicContact CZ-CD2 4.18Å; L96-Y107 HydrophobicContact CD2-CE2 4.27Å; A99-Y107 HydrophobicContact CB-CD1 4.31Å; A99-Y107 HydrophobicContact CB-CD2 3.61Å; A99-Y107 HydrophobicContact CB-CE2 3.99Å; A99-Y107 HydrophobicContact CB-CG 3.79Å; Y103-Y107 WeakPolarHBondContact O-CB 3.48Å; Y103-Y107 PolarHBondContact O-N 2.96Å; S104-Y107 WeakPolarHBondContact O-CB 3.25Å; S104-Y107 PolarHBondContact O-N 3.44Å; Y107-K109 VanDerWaalsContact C-N 3.26Å; Y107-K109 PolarHBondContact O-N 3.44Å; Y107-I110 WeakPolarHBondContact O-CB 3.44Å; Y107-I110 PolarHBondContact O-N 2.68Å; Y107-L111 HydrophobicContact CD1-CD1 4.02Å; Y107-L111 HydrophobicContact CD1-CG 4.33Å; Y107-L111 HydrophobicContact CE1-CD1 3.7Å; Y107-L111 HydrophobicContact CE1-CD2 4.28Å; Y107-L111 HydrophobicContact CE1-CG 4.09Å; Y107-L111 PolarHBondContact O-N 2.97Å
108E97.2Very high94.9Very high116 Ų11666.8 Ų66.854%0.54234%0.342SS..Hα-helixtrans-58.8-38.1175-67.1-55.714800111.9S104 I110 L111 A112S104-E108 WeakPolarHBondContact O-CG 3.41Å; S104-E108 PolarHBondContact O-N 3.03Å; E108-I110 VanDerWaalsContact C-N 3.34Å; E108-I110 PolarHBondContact O-N 2.74Å; E108-L111 PolarHBondContact O-N 3.23Å; E108-A112 WeakPolarHBondContact O-CB 3.37Å; E108-A112 PolarHBondContact O-N 3.26Å
109K97.3Very high94.2Very high114 Ų11471.8 Ų71.850%0.49637%0.367SS..Hα-helixtrans-63.8-37.7174.1-75.817966.91760112.6F105 L106 Y107 K113F105-K109 HydrophobicContact CD1-CD 4.06Å; F105-K109 HydrophobicContact CE1-CD 3.51Å; F105-K109 HydrophobicContact CE1-CG 4.47Å; F105-K109 HydrophobicContact CE2-CD 4.47Å; F105-K109 HydrophobicContact CZ-CD 3.75Å; F105-K109 HydrophobicContact CZ-CG 4.46Å; F105-K109 WeakPolarHBondContact O-CG 3.48Å; F105-K109 PolarHBondContact O-N 3.34Å; L106-K109 WeakPolarHBondContact O-CB 3.38Å; L106-K109 PolarHBondContact O-N 3.46Å; Y107-K109 VanDerWaalsContact C-N 3.26Å; Y107-K109 PolarHBondContact O-N 3.44Å; K109-K113 VanDerWaalsContact O-CG 3.29Å; K109-K113 WeakPolarHBondContact O-CG 3.05Å; K109-K113 PolarHBondContact O-N 3.44Å
110I96.2Very high93.4Very high46 Ų4674 Ų7424%0.23639%0.385CS..Hα-helixtrans-64.7-47.1176.1-68.6166.1000109.7M13 F95 L106 Y107 E108 A112 K113 I114M13-I110 HydrophobicContact SD-CD1 3.87Å; M13-I110 HydrophobicContact SD-CG2 4.25Å; F95-I110 HydrophobicContact CE1-CD1 3.97Å; F95-I110 HydrophobicContact CZ-CD1 3.69Å; L106-I110 HydrophobicContact CG-CD1 4.44Å; L106-I110 WeakPolarHBondContact O-CG1 3.33Å; L106-I110 PolarHBondContact O-N 3.19Å; Y107-I110 WeakPolarHBondContact O-CB 3.44Å; Y107-I110 PolarHBondContact O-N 2.68Å; E108-I110 VanDerWaalsContact C-N 3.34Å; E108-I110 PolarHBondContact O-N 2.74Å; I110-A112 PolarHBondContact O-N 2.71Å; I110-K113 PolarHBondContact O-N 3.16Å; I110-K113 VanDerWaalsContact O-N 3.14Å; I110-I114 HydrophobicContact CG2-CD1 3.92Å; I110-I114 WeakPolarHBondContact O-CG1 3.49Å; I110-I114 PolarHBondContact O-N 3.46Å
111L96.5Very high92.4Very high9 Ų968.5 Ų68.55%0.04736%0.364CS..Hα-helixtrans-58.9-46.3177.3-61.9-178.4000111.8D73 L76 S77 Y107 E108 K113 I114 Q115D73-L111 HydrophobicContact CB-CD2 4.17Å; L76-L111 HydrophobicContact CB-CD2 3.88Å; L76-L111 HydrophobicContact CD1-CD2 4.18Å; S77-L111 WeakPolarHBondContact OG-CD1 3.41Å; Y107-L111 HydrophobicContact CD1-CD1 4.02Å; Y107-L111 HydrophobicContact CD1-CG 4.33Å; Y107-L111 HydrophobicContact CE1-CD1 3.7Å; Y107-L111 HydrophobicContact CE1-CD2 4.28Å; Y107-L111 HydrophobicContact CE1-CG 4.09Å; Y107-L111 PolarHBondContact O-N 2.97Å; E108-L111 PolarHBondContact O-N 3.23Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.44Å; L111-I114 WeakPolarHBondContact O-CB 3.42Å; L111-I114 PolarHBondContact O-N 2.98Å; L111-I114 VanDerWaalsContact O-N 3.13Å; L111-Q115 WeakPolarHBondContact O-CG 3.35Å; L111-Q115 PolarHBondContact O-N 3.27Å
112A95.6Very high91.4Very high47 Ų4770.2 Ų70.239%0.38836%0.363SS..Hα-helixtrans-61.2-34.9176.800000112.9E108 I110 S116E108-A112 WeakPolarHBondContact O-CB 3.37Å; E108-A112 PolarHBondContact O-N 3.26Å; I110-A112 PolarHBondContact O-N 2.71Å; A112-S116 PolarHBondContact O-N 2.91Å; A112-S116 PolarHBondContact O-OG 3.36Å
113K94.6Very high89.5Confident146 Ų14670.8 Ų70.864%0.63536%0.356SS*.Hα-helixtrans-70.3-39174.3-71.9-65179.6-171.30112.2K109 I110 L111 Q115 S116 L117K109-K113 VanDerWaalsContact O-CG 3.29Å; K109-K113 WeakPolarHBondContact O-CG 3.05Å; K109-K113 PolarHBondContact O-N 3.44Å; I110-K113 PolarHBondContact O-N 3.16Å; I110-K113 VanDerWaalsContact O-N 3.14Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.44Å; K113-Q115 VanDerWaalsContact C-N 3.35Å; K113-S116 WeakPolarHBondContact O-CB 3.12Å; K113-S116 PolarHBondContact O-N 2.9Å; K113-L117 WeakPolarHBondContact O-CG 3.2Å; K113-L117 PolarHBondContact O-N 3.25Å
114I93.8Very high87.8Confident7 Ų771.9 Ų71.94%0.03637%0.367CS..Hα-helixtrans-61.3-45173.9-69.8166.7000110.6L72 D73 L76 I110 L111 S116 L117 Y118L72-I114 HydrophobicContact CB-CG2 4.12Å; L72-I114 HydrophobicContact CD2-CD1 3.95Å; L72-I114 HydrophobicContact CD2-CG1 4.23Å; L72-I114 HydrophobicContact CD2-CG2 3.86Å; L72-I114 HydrophobicContact CG-CD1 4.19Å; L72-I114 HydrophobicContact CG-CG2 4.11Å; D73-I114 HydrophobicContact CB-CG2 4.06Å; L76-I114 HydrophobicContact CD1-CD1 3.41Å; L76-I114 VanDerWaalsContact CD1-CD1 3.41Å; I110-I114 HydrophobicContact CG2-CD1 3.92Å; I110-I114 WeakPolarHBondContact O-CG1 3.49Å; I110-I114 PolarHBondContact O-N 3.46Å; L111-I114 WeakPolarHBondContact O-CB 3.42Å; L111-I114 PolarHBondContact O-N 2.98Å; L111-I114 VanDerWaalsContact O-N 3.13Å; I114-S116 VanDerWaalsContact C-N 3.3Å; I114-S116 PolarHBondContact O-N 3.4Å; I114-L117 WeakPolarHBondContact O-CA 3.42Å; I114-L117 WeakPolarHBondContact O-CB 3.35Å; I114-L117 PolarHBondContact O-N 2.85Å; I114-Y118 HydrophobicContact CG2-CE1 3.84Å; I114-Y118 HydrophobicContact CG2-CE2 4.16Å; I114-Y118 PolarHBondContact O-N 2.89Å; I114-Y118 VanDerWaalsContact O-N 3.1Å
115Q92.2Very high86.1Confident97 Ų9772.1 Ų72.145%0.45336%0.359SS..Hα-helixtrans-60.5-40.7176-71173.2-1800112.1D73 L111 K113 L117 Y118D73-Q115 HydrophobicContact CB-CG 4.26Å; D73-Q115 WeakPolarHBondContact OD2-CG 3.5Å; D73-Q115 PolarHBondContact OD2-NE2 2.83Å; L111-Q115 WeakPolarHBondContact O-CG 3.35Å; L111-Q115 PolarHBondContact O-N 3.27Å; K113-Q115 VanDerWaalsContact C-N 3.35Å; Q115-L117 VanDerWaalsContact C-N 3.29Å; Q115-L117 PolarHBondContact O-N 3.18Å; Q115-Y118 HydrophobicContact CG-CE2 4.48Å; Q115-Y118 PolarHBondContact O-N 3.42Å
116S91.6Very high84.3Confident71 Ų7170.9 Ų70.950%0.49736%0.356SS..Hα-helixtrans-63.6-35.4174.2-56.60000112.3A112 K113 I114 N119 A120A112-S116 PolarHBondContact O-N 2.91Å; A112-S116 PolarHBondContact O-OG 3.36Å; K113-S116 WeakPolarHBondContact O-CB 3.12Å; K113-S116 PolarHBondContact O-N 2.9Å; I114-S116 VanDerWaalsContact C-N 3.3Å; I114-S116 PolarHBondContact O-N 3.4Å; S116-N119 PolarHBondContact O-N 3.19Å; S116-A120 PolarHBondContact O-N 2.83Å
117L90.5Very high82.5Confident44 Ų4471.6 Ų71.623%0.2336%0.363CS..Hα-helixtrans-68.8-33.5177.6-73.9172.1000112.7V6 K113 I114 Q115 N119 A120 F121V6-L117 HydrophobicContact CG1-CD1 4.02Å; V6-L117 HydrophobicContact CG2-CD1 4.18Å; K113-L117 WeakPolarHBondContact O-CG 3.2Å; K113-L117 PolarHBondContact O-N 3.25Å; I114-L117 WeakPolarHBondContact O-CA 3.42Å; I114-L117 WeakPolarHBondContact O-CB 3.35Å; I114-L117 PolarHBondContact O-N 2.85Å; Q115-L117 VanDerWaalsContact C-N 3.29Å; Q115-L117 PolarHBondContact O-N 3.18Å; L117-N119 PolarHBondContact O-N 3.06Å; L117-A120 WeakPolarHBondContact O-CB 3.15Å; L117-A120 PolarHBondContact O-N 3.31Å; L117-A120 VanDerWaalsContact O-N 3.11Å; L117-F121 HydrophobicContact CB-CD2 4.32Å; L117-F121 HydrophobicContact CB-CE2 3.99Å; L117-F121 WeakPolarHBondContact O-CD2 3.49Å; L117-F121 PolarHBondContact O-N 2.73Å
118Y88.6Confident80.5Confident15 Ų1577 Ų776%0.05940%0.396CS..Hα-helixtrans-57.7-39.6175.1-60.9-34.5000112.4F67 Q70 S71 L72 D73 I114 Q115 A120 F121 K122F67-Y118 AromaticContact CD1-CD1 4Å; F67-Y118 HydrophobicContact CD1-CD1 4Å; F67-Y118 AromaticContact CD1-CE1 3.79Å; F67-Y118 HydrophobicContact CD1-CE1 3.79Å; F67-Y118 HydrophobicContact CE1-CD1 4.43Å; F67-Y118 HydrophobicContact CE1-CE1 4.14Å; Q70-Y118 HydrophobicContact CB-CD1 4.48Å; Q70-Y118 HydrophobicContact CB-CD2 4.19Å; Q70-Y118 HydrophobicContact CB-CE2 4.24Å; Q70-Y118 HydrophobicContact CB-CG 4.31Å; Q70-Y118 HydrophobicContact CG-CD1 4.37Å; Q70-Y118 HydrophobicContact CG-CG 4.2Å; S71-Y118 PolarHBondContact N-OH 3.15Å; L72-Y118 WeakPolarHBondContact CA-OH 3.45Å; L72-Y118 HydrophobicContact CB-CE1 4.37Å; L72-Y118 VanDerWaalsContact CB-OH 3.27Å; L72-Y118 WeakPolarHBondContact CB-OH 3.29Å; L72-Y118 PolarHBondContact N-OH 3.1Å; D73-Y118 PolarHBondContact N-OH 3.26Å; D73-Y118 WeakPolarHBondContact OD1-CE2 3.45Å; D73-Y118 PolarHBondContact OD1-OH 3.29Å; I114-Y118 HydrophobicContact CG2-CE1 3.84Å; I114-Y118 HydrophobicContact CG2-CE2 4.16Å; I114-Y118 PolarHBondContact O-N 2.89Å; I114-Y118 VanDerWaalsContact O-N 3.1Å; Q115-Y118 HydrophobicContact CG-CE2 4.48Å; Q115-Y118 PolarHBondContact O-N 3.42Å; Y118-A120 VanDerWaalsContact C-N 3.34Å; Y118-F121 PolarHBondContact O-N 2.83Å; Y118-K122 WeakPolarHBondContact O-CB 3.44Å; Y118-K122 PolarHBondContact O-N 2.94Å
119N80.8Confident77.9Confident113 Ų11374.3 Ų74.360%0.60440%0.4SS*.Hα-helixtrans-65.5-39.4177.4-65.2-29.4000111.4S116 L117 K122 F123S116-N119 PolarHBondContact O-N 3.19Å; L117-N119 PolarHBondContact O-N 3.06Å; N119-K122 PolarHBondContact O-N 2.89Å; N119-F123 PolarHBondContact O-N 3.32Å; N119-F123 VanDerWaalsContact O-N 3.13Å
120A79.7Confident75.4Confident47 Ų4775.4 Ų75.439%0.38841%0.407SS..Hα-helixtrans-63.3-43.3175.100000111.7S116 L117 Y118 F123 D124S116-A120 PolarHBondContact O-N 2.83Å; L117-A120 WeakPolarHBondContact O-CB 3.15Å; L117-A120 PolarHBondContact O-N 3.31Å; L117-A120 VanDerWaalsContact O-N 3.11Å; Y118-A120 VanDerWaalsContact C-N 3.34Å; A120-F123 WeakPolarHBondContact O-CB 3.32Å; A120-F123 PolarHBondContact O-N 2.77Å; A120-D124 PolarHBondContact O-N 2.72Å
121F74.6Confident72.6Confident17 Ų1778.9 Ų78.98%0.07543%0.434CS..Hα-helixtrans-73.9-26.7178.2-65.4-52.9000113.9L2 H3 F67 L117 Y118 D124 R125L2-F121 HydrophobicContact CD2-CE1 4.05Å; L2-F121 HydrophobicContact CD2-CZ 4.18Å; L2-F121 HydrophobicContact CG-CZ 4.42Å; H3-F121 AromaticContact CD2-CE1 3.69Å; H3-F121 AromaticContact CE1-CD1 3.17Å; H3-F121 WeakPolarHBondContact CE1-CD1 3.13Å; H3-F121 AromaticContact CE1-CD2 3.92Å; H3-F121 AromaticContact CE1-CE1 3.04Å; H3-F121 WeakPolarHBondContact CE1-CE1 3.41Å; H3-F121 AromaticContact CE1-CE2 3.79Å; H3-F121 AromaticContact CE1-CG 3.63Å; H3-F121 AromaticContact CE1-CZ 3.37Å; H3-F121 WeakPolarHBondContact CE1-CZ 3.18Å; H3-F121 AromaticContact CG-CE1 3.91Å; H3-F121 AromaticContact ND1-CE1 3.53Å; H3-F121 AromaticContact ND1-CE2 3.97Å; H3-F121 AromaticContact ND1-CZ 3.45Å; H3-F121 WeakPolarHBondContact ND1-CZ 3.3Å; H3-F121 AromaticContact NE2-CD1 3.24Å; H3-F121 WeakPolarHBondContact NE2-CD1 3.48Å; H3-F121 AromaticContact NE2-CE1 3.13Å; H3-F121 WeakPolarHBondContact NE2-CE1 3.48Å; H3-F121 AromaticContact NE2-CZ 3.9Å; F67-F121 HydrophobicContact CD1-CD2 4.08Å; F67-F121 AromaticContact CD1-CE2 3.91Å; F67-F121 HydrophobicContact CD1-CE2 3.91Å; F67-F121 HydrophobicContact CE1-CD2 4.46Å; F67-F121 AromaticContact CE1-CE2 3.95Å; F67-F121 HydrophobicContact CE1-CE2 3.95Å; L117-F121 HydrophobicContact CB-CD2 4.32Å; L117-F121 HydrophobicContact CB-CE2 3.99Å; L117-F121 WeakPolarHBondContact O-CD2 3.49Å; L117-F121 PolarHBondContact O-N 2.73Å; Y118-F121 PolarHBondContact O-N 2.83Å; F121-D124 PolarHBondContact O-N 2.55Å; F121-R125 PolarHBondContact O-N 3.23Å
122K72.7Confident69.6Low104 Ų10484 Ų8445%0.45247%0.47SS..Hα-helixtrans-65.6-43.4171.4-172.8-177.7178.2-171.10110.4Y118 N119 D124 R125 E126Y118-K122 WeakPolarHBondContact O-CB 3.44Å; Y118-K122 PolarHBondContact O-N 2.94Å; N119-K122 PolarHBondContact O-N 2.89Å; K122-D124 VanDerWaalsContact C-N 3.28Å; K122-D124 PolarHBondContact O-N 2.83Å; K122-R125 WeakPolarHBondContact O-CB 3.44Å; K122-R125 PolarHBondContact O-N 3.23Å; K122-E126 VanDerWaalsContact CE-OE1 3.25Å; K122-E126 WeakPolarHBondContact CE-OE1 3.47Å; K122-E126 IonicContact NZ-OE1 2.69Å; K122-E126 PolarHBondContact O-N 2.94Å; K122-E126 VanDerWaalsContact O-N 3.12Å
123F55.9Low67.2Low133 Ų13385.8 Ų85.858%0.58348%0.48SS*.Hα-helixtrans-58.7-40.7176.6-168-95.1000111.6N119 A120 R125 E126 V127N119-F123 PolarHBondContact O-N 3.32Å; N119-F123 VanDerWaalsContact O-N 3.13Å; A120-F123 WeakPolarHBondContact O-CB 3.32Å; A120-F123 PolarHBondContact O-N 2.77Å; F123-R125 VanDerWaalsContact C-N 3.33Å; F123-R125 PolarHBondContact O-N 3.37Å; F123-E126 PolarHBondContact O-N 3.48Å; F123-V127 HydrophobicContact CD1-CG2 4.08Å; F123-V127 HydrophobicContact CE1-CG2 3.81Å; F123-V127 HydrophobicContact CZ-CG2 4.28Å; F123-V127 WeakPolarHBondContact O-CG2 3.44Å; F123-V127 PolarHBondContact O-N 3.36Å; F123-V127 VanDerWaalsContact O-N 3.1Å
124D59Low65Low87 Ų8788.7 Ų88.747%0.46550%0.496SS..Hα-helixtrans-61.5-37.7174.1-75.4-23.8000112.8A120 F121 K122 V127 V128A120-D124 PolarHBondContact O-N 2.72Å; F121-D124 PolarHBondContact O-N 2.55Å; K122-D124 VanDerWaalsContact C-N 3.28Å; K122-D124 PolarHBondContact O-N 2.83Å; D124-V127 PolarHBondContact O-N 3.2Å; D124-V128 VanDerWaalsContact O-CG2 3.27Å; D124-V128 WeakPolarHBondContact O-CG2 3.39Å; D124-V128 PolarHBondContact O-N 3.27Å; D124-V128 VanDerWaalsContact O-N 3.11Å
125R60.9Low62.8Low58 Ų5893.5 Ų93.522%0.21952%0.522CS..Hα-helixtrans-66.1-39.6176.4-79.4-165-105.8-169.6-2.2112.7R68 F121 K122 F123 V127R68-R125 PolarHBondContact O-NH2 2.79Å; R68-R125 VanDerWaalsContact O-NH2 3.08Å; F121-R125 PolarHBondContact O-N 3.23Å; K122-R125 WeakPolarHBondContact O-CB 3.44Å; K122-R125 PolarHBondContact O-N 3.23Å; F123-R125 VanDerWaalsContact C-N 3.33Å; F123-R125 PolarHBondContact O-N 3.37Å; R125-V127 VanDerWaalsContact C-N 3.35Å
126E59Low60.9Low128 Ų12891.1 Ų91.160%0.59852%0.518SS*.Hα-helixtrans-68.9-34.5178.6-69.6176.6-174.700111.7K122 F123K122-E126 VanDerWaalsContact CE-OE1 3.25Å; K122-E126 WeakPolarHBondContact CE-OE1 3.47Å; K122-E126 IonicContact NZ-OE1 2.69Å; K122-E126 PolarHBondContact O-N 2.94Å; K122-E126 VanDerWaalsContact O-N 3.12Å; F123-E126 PolarHBondContact O-N 3.48Å
127V57.9Low59.5Low101 Ų10193.4 Ų93.461%0.61253%0.525SS*.Hα-helixtrans-74.1-32.3177.81750000112.6F123 D124 R125 G129F123-V127 HydrophobicContact CD1-CG2 4.08Å; F123-V127 HydrophobicContact CE1-CG2 3.81Å; F123-V127 HydrophobicContact CZ-CG2 4.28Å; F123-V127 WeakPolarHBondContact O-CG2 3.44Å; F123-V127 PolarHBondContact O-N 3.36Å; F123-V127 VanDerWaalsContact O-N 3.1Å; D124-V127 PolarHBondContact O-N 3.2Å; R125-V127 VanDerWaalsContact C-N 3.35Å; V127-G129 PolarHBondContact O-N 3Å
128V56.9Low59Low116 Ų11693.9 Ų93.970%0.70353%0.532SS*.Hα-helixtrans-77.7-7.3-179.71750000112.9D124D124-V128 VanDerWaalsContact O-CG2 3.27Å; D124-V128 WeakPolarHBondContact O-CG2 3.39Å; D124-V128 PolarHBondContact O-N 3.27Å; D124-V128 VanDerWaalsContact O-N 3.11Å
129G40.8Very low58.9Low60 Ų6095 Ų9562%0.61954%0.539SS*.THydrogen-bonded Turntrans6859.3165.900000113.7V127 C131V127-G129 PolarHBondContact O-N 3Å; G129-C131 PolarHBondContact O-N 2.81Å
130E44.9Very low59.1Low138 Ų13891.8 Ų91.865%0.64553%0.532SS*.  trans-81.9108.7162.1-77.9179.7177.400109.4S132E130-S132 PolarHBondContact O-N 3.49Å
131C37.9Very low59.4Low119 Ų11991.1 Ų91.180%0.80452%0.524SS*.  trans-59.3116.6171.9-152.10000109.8G129G129-C131 PolarHBondContact O-N 2.81Å
132S34.4Very low60Low115 Ų11590.3 Ų90.380%0.80452%0.521SS*.  trans35.688147.4-45.90000117.6E130E130-S132 PolarHBondContact O-N 3.49Å
133S44.7Very low60.8Low86 Ų8687 Ų8760%0.60151%0.508SS*.  trans-151.1120.1152.5176.30000109N135 A136S133-N135 PolarHBondContact O-N 2.86Å; S133-A136 PolarHBondContact O-N 3.11Å
134E47.7Very low62.3Low207 Ų20784.2 Ų84.297%0.96751%0.505SS*.THydrogen-bonded Turntrans-65.624.5-177.4-64.1177.812200114.3
135N48.9Very low63.6Low108 Ų10881.7 Ų81.758%0.57849%0.493SS*.THydrogen-bonded Turntrans-12416.9-179.7-72.1-57.3000113.5S133 D137 S138S133-N135 PolarHBondContact O-N 2.86Å; N135-D137 PolarHBondContact O-N 3.31Å; N135-S138 VanDerWaalsContact O-CB 3.28Å; N135-S138 WeakPolarHBondContact O-CB 3.41Å; N135-S138 PolarHBondContact O-N 2.63Å
136A52.2Low64.8Low46 Ų4679 Ų7938%0.3848%0.483SS..THydrogen-bonded Turntrans-56.2-23.8-176.100000114.2S133 S141S133-A136 PolarHBondContact O-N 3.11Å; A136-S141 PolarHBondContact O-OG 3.1Å
137D60.7Low66.2Low120 Ų12076.7 Ų76.764%0.64247%0.474SS*.THydrogen-bonded Turntrans-100.610.9-179.4-58.7-33.7000113.8N135N135-D137 PolarHBondContact O-N 3.31Å
138S81Confident67.5Low54 Ų5477.9 Ų77.938%0.37847%0.474SS..SBendtrans-71.7145.5175.5-179.50000111.5N135 G140 S141 T142N135-S138 VanDerWaalsContact O-CB 3.28Å; N135-S138 WeakPolarHBondContact O-CB 3.41Å; N135-S138 PolarHBondContact O-N 2.63Å; S138-G140 PolarHBondContact O-N 3.01Å; S138-G140 PolarHBondContact OG-N 3.01Å; S138-S141 PolarHBondContact O-N 2.75Å; S138-S141 PolarHBondContact O-OG 2.83Å; S138-T142 PolarHBondContact O-N 3.04Å; S138-T142 PolarHBondContact O-OG1 3.2Å
139L85.7Confident68.8Low39 Ų3976.7 Ų76.720%0.20446%0.459CS..Hα-helixtrans-54.5-34.3168.5-177.670.4000111.4D43 L44 L69 T142 L143D43-L139 HydrophobicContact CB-CD2 3.29Å; L44-L139 HydrophobicContact CB-CD1 3.87Å; L44-L139 HydrophobicContact CD1-CD1 4.42Å; L69-L139 HydrophobicContact CD1-CD1 4.38Å; L139-T142 WeakPolarHBondContact O-CB 3.46Å; L139-T142 PolarHBondContact O-N 2.69Å; L139-L143 HydrophobicContact CD1-CG 4.49Å; L139-L143 HydrophobicContact CD2-CD1 4.45Å; L139-L143 HydrophobicContact CG-CD1 4.06Å; L139-L143 HydrophobicContact CG-CG 4.32Å; L139-L143 WeakPolarHBondContact O-CG 3.39Å; L139-L143 PolarHBondContact O-N 3.06Å
140G86.4Confident70.9Confident44 Ų4475.5 Ų75.545%0.45444%0.44SS..Hα-helixtrans-62.6-45.2178.400000113.3S138 T142 L143 S144S138-G140 PolarHBondContact O-N 3.01Å; S138-G140 PolarHBondContact OG-N 3.01Å; G140-T142 VanDerWaalsContact C-N 3.29Å; G140-T142 PolarHBondContact O-N 2.96Å; G140-L143 PolarHBondContact O-N 3.28Å; G140-S144 PolarHBondContact O-N 3.4Å
141S86.2Confident72.7Confident33 Ų3372.9 Ų72.923%0.23144%0.442CS..Hα-helixtrans-65.7-36.2176.770.10000111.1A136 S138 S144 V145A136-S141 PolarHBondContact O-OG 3.1Å; S138-S141 PolarHBondContact O-N 2.75Å; S138-S141 PolarHBondContact O-OG 2.83Å; S141-S144 PolarHBondContact O-N 2.93Å; S141-V145 PolarHBondContact O-N 2.78Å
142T86.9Confident74.7Confident1 Ų172.1 Ų72.11%0.00644%0.437CS..Hα-helixtrans-62.6-50.3175.2-63.80000111R68 L69 S138 L139 G140 S144 V145 L146R68-T142 HydrophobicContact CB-CG2 3.98Å; L69-T142 HydrophobicContact CG-CG2 4.38Å; S138-T142 PolarHBondContact O-N 3.04Å; S138-T142 PolarHBondContact O-OG1 3.2Å; L139-T142 WeakPolarHBondContact O-CB 3.46Å; L139-T142 PolarHBondContact O-N 2.69Å; G140-T142 VanDerWaalsContact C-N 3.29Å; G140-T142 PolarHBondContact O-N 2.96Å; T142-S144 VanDerWaalsContact C-N 3.33Å; T142-S144 PolarHBondContact O-N 2.9Å; T142-V145 PolarHBondContact O-N 3.21Å; T142-L146 HydrophobicContact CG2-CD1 4.26Å; T142-L146 VanDerWaalsContact O-CG 3.31Å; T142-L146 WeakPolarHBondContact O-CG 3.36Å; T142-L146 PolarHBondContact O-N 3.32Å
143L89.2Confident76.7Confident34 Ų3468.2 Ų68.218%0.17841%0.406CS..Hα-helixtrans-61.9-39.7179-69.3172.7000112.2L44 A47 L139 G140 V145 L146 D147L44-L143 HydrophobicContact CD1-CD2 4.13Å; A47-L143 HydrophobicContact CB-CD1 3.94Å; A47-L143 HydrophobicContact CB-CD2 3.7Å; A47-L143 HydrophobicContact CB-CG 4.5Å; L139-L143 HydrophobicContact CD1-CG 4.49Å; L139-L143 HydrophobicContact CD2-CD1 4.45Å; L139-L143 HydrophobicContact CG-CD1 4.06Å; L139-L143 HydrophobicContact CG-CG 4.32Å; L139-L143 WeakPolarHBondContact O-CG 3.39Å; L139-L143 PolarHBondContact O-N 3.06Å; G140-L143 PolarHBondContact O-N 3.28Å; L143-V145 PolarHBondContact O-N 2.96Å; L143-L146 HydrophobicContact CD2-CD1 4.41Å; L143-L146 WeakPolarHBondContact O-CB 3.46Å; L143-L146 PolarHBondContact O-N 3.42Å; L143-D147 PolarHBondContact O-N 2.82Å
144S87.8Confident77.9Confident75 Ų7568.2 Ų68.252%0.52441%0.405SS..Hα-helixtrans-59.1-44.2176.8-170.40000112.3G140 S141 T142 D147 E148G140-S144 PolarHBondContact O-N 3.4Å; S141-S144 PolarHBondContact O-N 2.93Å; T142-S144 VanDerWaalsContact C-N 3.33Å; T142-S144 PolarHBondContact O-N 2.9Å; S144-D147 PolarHBondContact O-N 3.43Å; S144-E148 PolarHBondContact O-N 3.49Å
145V85.7Confident78.6Confident34 Ų3465.4 Ų65.421%0.20640%0.396CS..Hα-helixtrans-72.2-31.8177.7175.60000111.9R68 S141 T142 L143 D147 E148 F149R68-V145 VanDerWaalsContact CZ-CG2 3.46Å; R68-V145 VanDerWaalsContact NH2-CG2 3.32Å; S141-V145 PolarHBondContact O-N 2.78Å; T142-V145 PolarHBondContact O-N 3.21Å; L143-V145 PolarHBondContact O-N 2.96Å; V145-D147 VanDerWaalsContact C-N 3.29Å; V145-E148 PolarHBondContact O-N 3.17Å; V145-F149 WeakPolarHBondContact O-CB 3.33Å; V145-F149 PolarHBondContact O-N 2.95Å
146L87Confident79.1Confident0 Ų065.1 Ų65.10%040%0.403CS..Hα-helixtrans-64.1-37.5171.6-66.4-180000111.3L44 L48 L61 L64 T142 L143 F149 V150L44-L146 HydrophobicContact CD1-CD1 3.91Å; L48-L146 HydrophobicContact CD2-CD1 4.47Å; L61-L146 HydrophobicContact CB-CD2 4.45Å; L61-L146 HydrophobicContact CD2-CB 4.28Å; L61-L146 HydrophobicContact CD2-CD2 3.98Å; L64-L146 HydrophobicContact CB-CD2 3.76Å; L64-L146 HydrophobicContact CD2-CD2 3.5Å; L64-L146 VanDerWaalsContact CD2-CD2 3.5Å; L64-L146 HydrophobicContact CG-CD2 3.56Å; T142-L146 HydrophobicContact CG2-CD1 4.26Å; T142-L146 VanDerWaalsContact O-CG 3.31Å; T142-L146 WeakPolarHBondContact O-CG 3.36Å; T142-L146 PolarHBondContact O-N 3.32Å; L143-L146 HydrophobicContact CD2-CD1 4.41Å; L143-L146 WeakPolarHBondContact O-CB 3.46Å; L143-L146 PolarHBondContact O-N 3.42Å; L146-F149 PolarHBondContact O-N 3.3Å; L146-V150 VanDerWaalsContact O-CG2 3.3Å; L146-V150 WeakPolarHBondContact O-CG2 2.87Å; L146-V150 PolarHBondContact O-N 3.02Å
147D87.3Confident79.3Confident80 Ų8066.9 Ų66.943%0.42841%0.405SS..Hα-helixtrans-66-42.4175.3-69.9-29000112.3R51 L143 S144 V145 F149 V150 A151R51-D147 IonicContact CZ-OD1 3.51Å; R51-D147 IonicContact NH1-OD1 3.75Å; R51-D147 PolarHBondContact NH1-OD1 3.49Å; R51-D147 IonicContact NH2-OD1 2.78Å; R51-D147 PolarHBondContact NH2-OD1 3.3Å; R51-D147 IonicContact NH2-OD2 3.9Å; L143-D147 PolarHBondContact O-N 2.82Å; S144-D147 PolarHBondContact O-N 3.43Å; V145-D147 VanDerWaalsContact C-N 3.29Å; D147-F149 VanDerWaalsContact C-N 3.34Å; D147-F149 PolarHBondContact O-N 3.18Å; D147-V150 PolarHBondContact O-N 3.33Å; D147-A151 WeakPolarHBondContact O-CB 3.17Å; D147-A151 PolarHBondContact O-N 3.06Å
148E85.9Confident79Confident127 Ų12764.2 Ų64.259%0.59339%0.393SS*.Hα-helixtrans-59.8-44.7172.6-172.8-179.1-178.400111.5S144 V145 V150 A151 C152S144-E148 PolarHBondContact O-N 3.49Å; V145-E148 PolarHBondContact O-N 3.17Å; E148-V150 PolarHBondContact O-N 2.89Å; E148-A151 WeakPolarHBondContact O-CB 3.06Å; E148-A151 PolarHBondContact O-N 3.28Å; E148-C152 PolarHBondContact O-N 3.11Å; E148-C152 PolarHBondContact O-SG 3.41Å; E148-C152 VanDerWaalsContact O-SG 3.41Å
149F83.2Confident77.7Confident90 Ų9062.6 Ų62.640%0.39538%0.383SS..Hα-helixtrans-60.6-43.8176.6-177.8-98.6000112.2L61 L64 V145 L146 D147 A151 C152 L153L61-F149 HydrophobicContact CD2-CD1 3.88Å; L61-F149 HydrophobicContact CD2-CE1 4.49Å; L64-F149 HydrophobicContact CD2-CB 4.31Å; L64-F149 HydrophobicContact CD2-CD1 4.13Å; L64-F149 HydrophobicContact CD2-CD2 4.26Å; L64-F149 HydrophobicContact CD2-CG 3.96Å; V145-F149 WeakPolarHBondContact O-CB 3.33Å; V145-F149 PolarHBondContact O-N 2.95Å; L146-F149 PolarHBondContact O-N 3.3Å; D147-F149 VanDerWaalsContact C-N 3.34Å; D147-F149 PolarHBondContact O-N 3.18Å; F149-A151 VanDerWaalsContact C-N 3.34Å; F149-C152 PolarHBondContact O-N 3.11Å; F149-L153 HydrophobicContact CD1-CD1 4.39Å; F149-L153 HydrophobicContact CE1-CD1 4.06Å; F149-L153 HydrophobicContact CE1-CD2 4.35Å; F149-L153 HydrophobicContact CE1-CG 4.39Å; F149-L153 HydrophobicContact CZ-CD2 4.38Å
150V84.5Confident75.8Confident35 Ų3564.6 Ų64.621%0.21240%0.4CS..Hα-helixtrans-63.8-39.9176.3172.20000111.2L61 L146 D147 E148 C152 L153L61-V150 HydrophobicContact CD1-CG2 3.69Å; L61-V150 HydrophobicContact CD2-CG2 3.7Å; L61-V150 HydrophobicContact CG-CG2 4.29Å; L146-V150 VanDerWaalsContact O-CG2 3.3Å; L146-V150 WeakPolarHBondContact O-CG2 2.87Å; L146-V150 PolarHBondContact O-N 3.02Å; D147-V150 PolarHBondContact O-N 3.33Å; E148-V150 PolarHBondContact O-N 2.89Å; V150-C152 PolarHBondContact O-N 3.32Å; V150-L153 WeakPolarHBondContact O-CB 3.22Å; V150-L153 PolarHBondContact O-N 3.07Å; V150-L153 VanDerWaalsContact O-N 3.07Å
151A83.5Confident73.7Confident84 Ų8468.5 Ų68.569%0.69442%0.417SS*.Hα-helixtrans-63-26.7178.400000113.1D147 E148 F149D147-A151 WeakPolarHBondContact O-CB 3.17Å; D147-A151 PolarHBondContact O-N 3.06Å; E148-A151 WeakPolarHBondContact O-CB 3.06Å; E148-A151 PolarHBondContact O-N 3.28Å; F149-A151 VanDerWaalsContact C-N 3.34Å
152C79.9Confident71.5Confident103 Ų10371.1 Ų71.170%0.69644%0.436SS*.THydrogen-bonded Turntrans-82.6-10175.4-64.30000114.3E148 F149 V150E148-C152 PolarHBondContact O-N 3.11Å; E148-C152 PolarHBondContact O-SG 3.41Å; E148-C152 VanDerWaalsContact O-SG 3.41Å; F149-C152 PolarHBondContact O-N 3.11Å; V150-C152 PolarHBondContact O-N 3.32Å
153L75.5Confident69.4Low32 Ų3277.3 Ų77.317%0.16847%0.469CS..SBendtrans-79.2146.1-179.4-69.2176.4000111.4L57 F149 V150 N155 L157L57-L153 HydrophobicContact CD1-CD1 3.51Å; L57-L153 HydrophobicContact CD2-CD1 4.39Å; F149-L153 HydrophobicContact CD1-CD1 4.39Å; F149-L153 HydrophobicContact CE1-CD1 4.06Å; F149-L153 HydrophobicContact CE1-CD2 4.35Å; F149-L153 HydrophobicContact CE1-CG 4.39Å; F149-L153 HydrophobicContact CZ-CD2 4.38Å; V150-L153 WeakPolarHBondContact O-CB 3.22Å; V150-L153 PolarHBondContact O-N 3.07Å; V150-L153 VanDerWaalsContact O-N 3.07Å; L153-N155 PolarHBondContact O-N 2.89Å; L153-L157 HydrophobicContact CB-CD1 4.4Å; L153-L157 HydrophobicContact CD1-CD1 4.47Å; L153-L157 HydrophobicContact CD2-CD1 4.28Å
154P71.7Confident66.8Low87 Ų8784.9 Ų84.957%0.56550%0.5SS*.  trans-55.5131.9171.6-21.431.1000110.7S156 L157P154-S156 PolarHBondContact O-N 3.1Å; P154-L157 PolarHBondContact O-N 3.2Å
155N61Low64.4Low147 Ų14788 Ų8879%0.78651%0.507SS*.G310 helixtrans-49.5-22.6-178-72.2-20.1000114.5L153 L157 V158L153-N155 PolarHBondContact O-N 2.89Å; N155-L157 PolarHBondContact O-N 3.29Å; N155-L157 VanDerWaalsContact O-N 3.16Å; N155-V158 PolarHBondContact O-N 2.87Å; N155-V158 VanDerWaalsContact O-N 3.17Å
156S58.9Low62.1Low103 Ų10395.5 Ų95.572%0.7254%0.537SS*.G310 helixtrans-60.9-16.5175.1-173.30000114.7P154P154-S156 PolarHBondContact O-N 3.1Å
157L56.4Low59.6Low82 Ų82101 Ų10143%0.42957%0.573SS.*G310 helixtrans-962.1178.8-64.6172.7000113.4Y54 L153 P154 N155Y54-L157 WeakPolarHBondContact CD2-O 3.41Å; Y54-L157 WeakPolarHBondContact CE2-O 3.27Å; L153-L157 HydrophobicContact CB-CD1 4.4Å; L153-L157 HydrophobicContact CD1-CD1 4.47Å; L153-L157 HydrophobicContact CD2-CD1 4.28Å; P154-L157 PolarHBondContact O-N 3.2Å; N155-L157 PolarHBondContact O-N 3.29Å; N155-L157 VanDerWaalsContact O-N 3.16Å
158V55.3Low56.9Low65 Ų65104.7 Ų104.739%0.39459%0.593SS.*BIsolated β-bridgetrans-94.6131.8170.8-1760000108.2N155 S160N155-V158 PolarHBondContact O-N 2.87Å; N155-V158 VanDerWaalsContact O-N 3.17Å; V158-S160 PolarHBondContact O-N 3.48Å
159A53.1Low54.5Low19 Ų19103.2 Ų103.216%0.15760%0.602CS.*PPolyproline II helixtrans-61121.2-167.800000113.7Y54Y54-A159 HydrophobicContact CD1-CB 3.87Å; Y54-A159 HydrophobicContact CD2-CB 4.27Å; Y54-A159 HydrophobicContact CE1-CB 3.81Å; Y54-A159 HydrophobicContact CE2-CB 4.22Å; Y54-A159 HydrophobicContact CG-CB 4.11Å
160S46.1Very low52.1Low81 Ų81103 Ų10357%0.56662%0.617SS**PPolyproline II helixtrans-75.9141.7152.1-83.20000108.3Y54 V158 S162Y54-S160 PolarHBondContact OH-N 3.34Å; Y54-S160 VanDerWaalsContact OH-N 3.15Å; V158-S160 PolarHBondContact O-N 3.48Å; S160-S162 PolarHBondContact O-N 3.35Å
161P42.6Very low49.6Very low126 Ų126106.5 Ų106.582%0.81864%0.643SS**THydrogen-bonded Turntrans-72.835.8-164.8-16.432.3000116.3
162S39.1Very low47.3Very low89 Ų89108.1 Ų108.162%0.62265%0.648SS**THydrogen-bonded Turntrans-126.87.5-161.7-530000117.3S160 K164S160-S162 PolarHBondContact O-N 3.35Å; S162-K164 VanDerWaalsContact C-N 3.32Å; S162-K164 PolarHBondContact O-N 3.21Å
163D43.3Very low44.9Very low131 Ų131108.4 Ų108.470%0.70165%0.651SS**  trans-78.988.4167.9-69.3-24.4000109.2Y54 E165Y54-D163 WeakPolarHBondContact CD1-OD2 3.47Å; Y54-D163 WeakPolarHBondContact CE1-OD2 3.47Å; D163-E165 VanDerWaalsContact C-N 3.34Å; D163-E165 PolarHBondContact O-N 3.43Å
164K34.8Very low42.8Very low192 Ų192111.4 Ų111.484%0.83568%0.68SS**  trans-57.496.1171.5-69.3-178-179.4177.40109.1S162 F166S162-K164 VanDerWaalsContact C-N 3.32Å; S162-K164 PolarHBondContact O-N 3.21Å; K164-F166 PolarHBondContact O-N 3.47Å
165E37.4Very low41.2Very low140 Ų140114.7 Ų114.765%0.65469%0.692SS**PPolyproline II helixtrans-73.6117.5171.4-154.4153.6-125.600108.7K55 D163K55-E165 WeakPolarHBondContact CE-OE1 3.31Å; K55-E165 WeakPolarHBondContact CE-OE2 3.47Å; K55-E165 IonicContact NZ-OE1 3.01Å; K55-E165 PolarHBondContact NZ-OE1 3.11Å; K55-E165 IonicContact NZ-OE2 2.55Å; K55-E165 PolarHBondContact NZ-OE2 3.16Å; D163-E165 VanDerWaalsContact C-N 3.34Å; D163-E165 PolarHBondContact O-N 3.43Å
166F37.6Very low40Very low192 Ų192110.9 Ų110.984%0.84269%0.687SS**PPolyproline II helixtrans-53.5141.1179.7-79.1-94.3000111.1K164 N168K164-F166 PolarHBondContact O-N 3.47Å; F166-N168 PolarHBondContact O-N 3Å
167P34.4Very low38.7Very low117 Ų117113.5 Ų113.576%0.7669%0.693SS**PPolyproline II helixtrans-67.3129.2-17227.2-32.8000111.6A169P167-A169 PolarHBondContact O-N 3.27Å
168N31.7Very low38Very low157 Ų157118.4 Ų118.484%0.8471%0.713SS**  trans0.498.1155.7-67.3-25.3000116.5F166 A170F166-N168 PolarHBondContact O-N 3Å; N168-A170 PolarHBondContact O-N 3.22Å; N168-A170 VanDerWaalsContact O-N 3.11Å
169A35.1Very low37.3Very low96 Ų96123.5 Ų123.579%0.79374%0.736SS**  trans-82.768.9155.600000109.5P167P167-A169 PolarHBondContact O-N 3.27Å
170A33.1Very low36.4Very low85 Ų85125.6 Ų125.670%0.70276%0.759SS**  trans-66.1129.5152.700000107.4N168N168-A170 PolarHBondContact O-N 3.22Å; N168-A170 VanDerWaalsContact O-N 3.11Å
171S30.7Very low35.8Very low109 Ų109131.2 Ų131.276%0.76277%0.774SS**  trans102.676.6177-50.80000115.8
172C35.1Very low35.5Very low117 Ų117132.2 Ų132.279%0.79177%0.772SS**  trans-125.967.1150-72.70000109.2
173S29.9Very low35.6Very low110 Ų110136.3 Ų136.377%0.76978%0.781SS**  trans-77.8126.9148.645.90000107.5
174A32.7Very low35.7Very low94 Ų94134.5 Ų134.578%0.77778%0.775SS**  trans82.186.517400000117
175I37.3Very low36.5Very low157 Ų157134.1 Ų134.181%0.80578%0.781SS**  trans-136.790.1140.8-56.1-178.4000107.6
176G35.3Very low37.6Very low66 Ų66129.5 Ų129.568%0.6876%0.763SS**  trans-78.7143.8154.700000109.1
177N32.7Very low39.2Very low158 Ų158126.1 Ų126.185%0.84575%0.748SS**  trans44.887.3157.5-62.1-8.7000117.6
178H41.1Very low41.3Very low186 Ų186122.2 Ų122.286%0.86172%0.723SS**  trans-153.1119.6134.4-127.4-87.2000111.3
179I39.5Very low43.6Very low172 Ų172120.2 Ų120.288%0.88271%0.707SS**  trans-73.2128.4165.9-76.8162.7000107.1
180G35.3Very low45.1Very low62 Ų62117.8 Ų117.864%0.63968%0.68SS**  trans146.6108.2166.700000114.1
181K33.8Very low46.5Very low200 Ų200118.6 Ų118.687%0.8768%0.678SS**  trans41.794.3147.1-67.9173.6173.3176.70116.9
182D36.2Very low47.9Very low146 Ų146117.7 Ų117.778%0.78168%0.678SS**  -173120.3121.8-95.6-20.2000111.7T184D182-T184 PolarHBondContact O-N 2.87Å
183E41.8Very low48.9Very low176 Ų176118.9 Ų118.982%0.82267%0.673SS**  trans29.387.4136-57.4-172.3161.700118.6
184T43.8Very low50.2Low92 Ų92118.9 Ų118.956%0.56467%0.671SS**  -155.5106.412543.20000106.5V20 D182 T186V20-T184 HydrophobicContact CB-CG2 4.39Å; V20-T184 HydrophobicContact CG1-CG2 4.07Å; V20-T184 HydrophobicContact CG2-CG2 4.39Å; D182-T184 PolarHBondContact O-N 2.87Å; T184-T186 PolarHBondContact O-N 3.09Å
185L52.2Low51.3Low184 Ų184118.8 Ų118.896%0.96367%0.669SS**  trans-66.194-172.4-75.7166.8000110.4K187L185-K187 PolarHBondContact O-N 3.37Å
186T61.3Low52.1Low44 Ų44114.7 Ų114.727%0.2767%0.666SS.*  trans-72.8113.2167.9290000108.2L18 V20 T184 S188L18-T186 WeakPolarHBondContact O-CG2 3.19Å; V20-T186 HydrophobicContact CG2-CG2 3.57Å; T184-T186 PolarHBondContact O-N 3.09Å; T186-S188 PolarHBondContact O-N 2.98Å
187K71.4Confident52.9Low121 Ų121115.1 Ų115.153%0.52665%0.653SS.*  trans-64.1119.5176.1-174-176.4176.4-167.40107.6D12 G17 L185D12-K187 IonicContact OD1-NZ 2.99Å; D12-K187 PolarHBondContact OD1-NZ 3.36Å; G17-K187 PolarHBondContact N-O 3.13Å; L185-K187 PolarHBondContact O-N 3.37Å
188S77.7Confident54.1Low34 Ų34114.3 Ų114.324%0.23865%0.654CS.*  trans-132.5138.6168.3-172.30000111.4D16 T186 I190D16-S188 VanDerWaalsContact OD1-C 3.3Å; D16-S188 WeakPolarHBondContact OD1-CA 3.45Å; D16-S188 WeakPolarHBondContact OD1-CB 3.3Å; D16-S188 PolarHBondContact OD1-OG 3.48Å; T186-S188 PolarHBondContact O-N 2.98Å; S188-I190 PolarHBondContact O-N 2.99Å; S188-I190 PolarHBondContact OG-N 2.96Å; S188-I190 PolarHBondContact OG-O 3.38Å
189F79.2Confident54.9Low116 Ų116115.9 Ų115.951%0.50965%0.652SS.*SBendtrans-61.7-26.7171.1-61.1-42.4000112.2D12 D16D12-F189 HydrophobicContact CB-CZ 4.26Å; D12-F189 WeakPolarHBondContact O-CZ 3.3Å; D16-F189 HydrophobicContact CB-CD2 3.5Å; D16-F189 VanDerWaalsContact CB-CD2 3.5Å; D16-F189 HydrophobicContact CB-CE2 3.56Å; D16-F189 HydrophobicContact CB-CG 4.27Å; D16-F189 HydrophobicContact CB-CZ 4.35Å; D16-F189 PolarHBondContact OD1-N 3.31Å
190I67.3Low55.6Low45 Ų45113.3 Ų113.323%0.23164%0.639CS.*SBendtrans-109.4114.7-175-63.5144.4000108.3S93 Y103 S188 A192S93-I190 WeakPolarHBondContact O-CD1 3.37Å; Y103-I190 HydrophobicContact CE1-CD1 4.32Å; Y103-I190 HydrophobicContact CE2-CD1 3.61Å; Y103-I190 VanDerWaalsContact CZ-CD1 3.41Å; Y103-I190 WeakPolarHBondContact OH-CD1 3.44Å; S188-I190 PolarHBondContact O-N 2.99Å; S188-I190 PolarHBondContact OG-N 2.96Å; S188-I190 PolarHBondContact OG-O 3.38Å; I190-A192 PolarHBondContact O-N 3Å
191P61.8Low56.3Low102 Ų102115.8 Ų115.866%0.66264%0.644SS**  trans-55130.1173-23.833.5000110.3M193P191-M193 WeakPolarHBondContact CB-O 3.32Å; P191-M193 PolarHBondContact O-N 3.42Å
192A60Low57.3Low90 Ų90114.5 Ų114.574%0.74464%0.638SS**SBendtrans-61.7-17.6179.900000113.3I190I190-A192 PolarHBondContact O-N 3Å
193M57.3Low58.3Low142 Ų142113.3 Ų113.370%0.764%0.641SS**SBendtrans-115.1131.3172.7-74-65-61.100108.8P191 A195P191-M193 WeakPolarHBondContact CB-O 3.32Å; P191-M193 PolarHBondContact O-N 3.42Å; M193-A195 PolarHBondContact O-N 2.92Å
194P55.9Low59Low110 Ų110109.7 Ų109.771%0.71464%0.635SS**  trans-52.7130.3161.1-11.824.4000106.4G196P194-G196 PolarHBondContact O-N 2.88Å
195A55.9Low59.3Low91 Ų91110.1 Ų110.175%0.75264%0.642SS**  trans-48.7117.2170.200000106.3M193 D197M193-A195 PolarHBondContact O-N 2.92Å; A195-D197 PolarHBondContact O-N 3.02Å
196G55.5Low59Low71 Ų71111.5 Ų111.573%0.73264%0.636SS**  trans-6776.2172.100000106.5P194 T198P194-G196 PolarHBondContact O-N 2.88Å; G196-T198 PolarHBondContact O-N 2.83Å
197D51.5Low58.6Low76 Ų76114.4 Ų114.441%0.40666%0.655SS.*  trans-72.290.8-179.6-166-4.1000106.4A195 R199 I200A195-D197 PolarHBondContact O-N 3.02Å; D197-R199 PolarHBondContact O-N 3.45Å; D197-R199 WeakPolarHBondContact OD1-CB 3.47Å; D197-R199 WeakPolarHBondContact OD1-CG 3.24Å; D197-R199 PolarHBondContact OD1-N 2.84Å; D197-R199 VanDerWaalsContact OD1-N 3.09Å; D197-I200 HydrophobicContact CB-CD1 4.07Å; D197-I200 HydrophobicContact CB-CG1 4.08Å; D197-I200 PolarHBondContact O-N 3.08Å
198T57.2Low57.6Low140 Ų140114 Ų11486%0.85967%0.667SS**THydrogen-bonded Turntrans-60.3-9.3175.148.80000111.9G196G196-T198 PolarHBondContact O-N 2.83Å
199R57.9Low56.2Low219 Ų219123.5 Ų123.583%0.82670%0.698SS**THydrogen-bonded Turntrans-85.8-12.1174.8-50.7-179.2-164.61665.8113.6D197 P201D197-R199 PolarHBondContact O-N 3.45Å; D197-R199 WeakPolarHBondContact OD1-CB 3.47Å; D197-R199 WeakPolarHBondContact OD1-CG 3.24Å; D197-R199 PolarHBondContact OD1-N 2.84Å; D197-R199 VanDerWaalsContact OD1-N 3.09Å; R199-P201 WeakPolarHBondContact O-CD 3.5Å
200I55.6Low54.9Low118 Ų118124.8 Ų124.861%0.60571%0.709SS**SBendtrans-90.7107.1173.4-55.4177.2000107.8D197 K202D197-I200 HydrophobicContact CB-CD1 4.07Å; D197-I200 HydrophobicContact CB-CG1 4.08Å; D197-I200 PolarHBondContact O-N 3.08Å; I200-K202 PolarHBondContact O-N 3.01Å; I200-K202 VanDerWaalsContact O-N 3.17Å
201P48.8Very low54Low114 Ų114128.1 Ų128.174%0.7473%0.733SS**  trans-60.9124.3176.523.4-30.2000108.9R199 S203R199-P201 WeakPolarHBondContact O-CD 3.5Å; P201-S203 PolarHBondContact O-N 3.11Å; P201-S203 VanDerWaalsContact O-N 3.07Å
202K55.1Low53.8Low174 Ų174129.6 Ų129.676%0.75774%0.741SS**  trans-54117.9172.2-65.1178.3-178.41760107.6I200 S204 S205I200-K202 PolarHBondContact O-N 3.01Å; I200-K202 VanDerWaalsContact O-N 3.17Å; K202-S204 PolarHBondContact O-N 3.25Å; K202-S205 PolarHBondContact O-N 3.42Å
203S57.5Low53.4Low121 Ų121130.7 Ų130.785%0.84674%0.743SS**THydrogen-bonded Turntrans-63.15179.354.60000114.2P201P201-S203 PolarHBondContact O-N 3.11Å; P201-S203 VanDerWaalsContact O-N 3.07Å
204S56.3Low53.3Low100 Ų100129.5 Ų129.570%0.69974%0.744SS**THydrogen-bonded Turntrans-100.712-179.575.80000114.9K202K202-S204 PolarHBondContact O-N 3.25Å
205S49.8Very low52.8Low100 Ų100131.8 Ų131.870%0.69975%0.75SS**  trans-111.517.8179.8-74.60000115.3K202 P207K202-S205 PolarHBondContact O-N 3.42Å; S205-P207 WeakPolarHBondContact O-CD 3.29Å
206Y46.2Very low52.4Low214 Ų214137.7 Ų137.784%0.83975%0.753SS**  trans-74118.3162.4-88.7-83.3000109.3S208Y206-S208 PolarHBondContact O-N 2.74Å
207P51.8Low51.8Low104 Ų104146 Ų14668%0.67576%0.762SS**  trans-65.9121.9166.513-3000106.7S205 R209S205-P207 WeakPolarHBondContact O-CD 3.29Å; P207-R209 PolarHBondContact O-N 3.22Å
208S52Low51.9Low112 Ų112148 Ų14878%0.78378%0.777SS**  trans-6476.917139.70000110.1Y206 I210Y206-S208 PolarHBondContact O-N 2.74Å; S208-I210 PolarHBondContact O-N 3.15Å; S208-I210 VanDerWaalsContact O-N 3.15Å
209R47.7Very low51.5Low234 Ų234146.2 Ų146.288%0.88377%0.77SS**  trans-81.868.1156.3-78.3-169.1-172.3-151.13108P207 P211P207-R209 PolarHBondContact O-N 3.22Å; R209-P211 WeakPolarHBondContact O-CD 3.44Å
210I51.6Low51.1Low143 Ų143147.9 Ų147.973%0.73378%0.777SS**  trans-88.8112.5152.8-60.7176.6000104.5S208 T212S208-I210 PolarHBondContact O-N 3.15Å; S208-I210 VanDerWaalsContact O-N 3.15Å; I210-T212 PolarHBondContact O-N 3.13Å; I210-T212 VanDerWaalsContact O-N 3.13Å
211P49Very low51Low115 Ų115151.4 Ų151.475%0.74779%0.788SS**PPolyproline II helixtrans-59.9118.1173.2-18.431.2000108.5R209 S213R209-P211 WeakPolarHBondContact O-CD 3.44Å; P211-S213 PolarHBondContact O-N 3.34Å
212T57.1Low51.2Low133 Ų133152.8 Ų152.882%0.81679%0.793SS**PPolyproline II helixtrans-55.1131.2169460000108.7I210 V214I210-T212 PolarHBondContact O-N 3.13Å; I210-T212 VanDerWaalsContact O-N 3.13Å; T212-V214 PolarHBondContact O-N 3.36Å
213S51.9Low51.1Low113 Ų113150.9 Ų150.979%0.7980%0.796SS**PPolyproline II helixtrans-55132.1-176.667.10000111.1P211 D215P211-S213 PolarHBondContact O-N 3.34Å; S213-D215 PolarHBondContact O-N 3.35Å
214V53.9Low50.9Low118 Ų118154.2 Ų154.272%0.71580%0.795SS**  trans-39.4122.1171.2175.60000112.1T212 R216T212-V214 PolarHBondContact O-N 3.36Å; V214-R216 HydrophobicContact CG1-CG 4.26Å; V214-R216 PolarHBondContact O-N 3.15Å; V214-R216 VanDerWaalsContact O-N 3.15Å
215D46.1Very low51.2Low157 Ų157154.2 Ų154.284%0.8480%0.801SS**  trans-64.5106167.7-144.7-19000108.7S213S213-D215 PolarHBondContact O-N 3.35Å
216R48.1Very low51.7Low215 Ų215156.7 Ų156.781%0.81181%0.805SS**  trans-124.167.5178.5-114.9-173.2-172.2173.33.2109.6V214V214-R216 HydrophobicContact CG1-CG 4.26Å; V214-R216 PolarHBondContact O-N 3.15Å; V214-R216 VanDerWaalsContact O-N 3.15Å
217R42.4Very low52Low245 Ų245152 Ų15293%0.92580%0.801SS**  trans-125.262.8157.6-87.1-172.9178.3179.72110.3
218T54.4Low52.1Low119 Ų119158.3 Ų158.373%0.7381%0.811SS**  trans-80.8115.7162.27.20000109.5
219S48.2Very low52.2Low102 Ų102166.2 Ų166.271%0.71383%0.831SS**  trans49.289.4140.5-50.90000117.1K221S219-K221 PolarHBondContact O-N 2.96Å
220R49.6Very low52.4Low255 Ų255162.8 Ų162.896%0.96283%0.829SS**  trans-59.7100152.8-79.4-179.1-177.3164.20.1108.4
221K52.8Low52.4Low192 Ų192163.8 Ų163.884%0.83583%0.834SS**  trans-74121.6161.1-98-178.7176.3177.20108.3S219 V223S219-K221 PolarHBondContact O-N 2.96Å; K221-V223 PolarHBondContact O-N 3.37Å
222V53.2Low52.6Low142 Ų142166.6 Ų166.686%0.86184%0.839SS**  trans-55.1120.1166.8174.90000108.8
223V54Low52.4Low134 Ų134168.5 Ų168.581%0.81284%0.84SS**  trans-114.4118.5165.7177.10000107.7K221K221-V223 PolarHBondContact O-N 3.37Å
224K51.9Low52.4Low192 Ų192172 Ų17284%0.83584%0.843SS**PPolyproline II helixtrans-52.2132175.8-103.8170168.4173.50111.4
225A63.9Low52.3Low100 Ų100175.6 Ų175.683%0.82685%0.852SS**PPolyproline II helixtrans-68134.2161.300000109.9
226I60.9Low52.7Low151 Ų151176.9 Ų176.977%0.77485%0.852SS**PPolyproline II helixtrans-94129.9171.8-62.6168.4000107.1
227P52.5Low53.1Low115 Ų115174 Ų17475%0.74786%0.856SS**PPolyproline II helixtrans-100.6125.8169.934.4-24.9000110.6
228R53.4Low54Low237 Ų237168.1 Ų168.189%0.89485%0.85SS**  trans-156.2131.1157.7-67.5-169.9174.3169.9-3.5105
229K53.1Low53.9Low278 Ų278172.5 Ų172.5100%1.20986%0.861SS**  cis-158.8014.8-152.9-179.2-171.1-174.10106.8

Retrieved 229 of 229 residues in 1299.1 ms (Link to these results)

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