A0A096MVF9_PAPAN Loading...

ER lumen protein-retaining receptor

AlphaFold DB (P33947), UniProt , Accession A0A096MVF9, Species PAPAN (Papio anubis, Olive baboon), Gene KDELR2, Length 212 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
1M80.5Confident92Very high138 Ų13857 Ų5768%0.6829%0.285SS*.  0129.60-177.161.981.500106.8R5 L6 Y59M1-R5 HydrophobicContact SD-CB 4.04Å; M1-R5 HydrophobicContact SD-CG 3.91Å; M1-L6 HydrophobicContact SD-CB 4.42Å; M1-Y59 HydrophobicContact CE-CD1 4.45Å; M1-Y59 HydrophobicContact CE-CE1 3.97Å
2N90.1Very high92.3Very high18 Ų1852.9 Ų52.910%0.09626%0.264CS..  trans-123.9168.1175.360.654.5000109.7F4 R5 L6 N165N2-F4 VanDerWaalsContact C-N 3.26Å; N2-F4 PolarHBondContact O-N 2.84Å; N2-F4 PolarHBondContact OD1-N 2.94Å; N2-R5 PolarHBondContact O-N 3.5Å; N2-R5 PolarHBondContact OD1-N 3.32Å; N2-L6 PolarHBondContact O-N 3.06Å; N2-L6 VanDerWaalsContact O-N 3.09Å; N2-N165 PolarHBondContact ND2-OD1 2.95Å; N2-N165 PolarHBondContact OD1-OD1 2.62Å
3I93Very high92.6Very high106 Ų10651.6 Ų51.654%0.54426%0.258SS..Hα-helixtrans-59-37.2-175.2-171.259.7000112.4L6 T7I3-L6 PolarHBondContact O-N 3.15Å; I3-T7 HydrophobicContact CD1-CG2 4.06Å; I3-T7 HydrophobicContact CG1-CG2 4.26Å; I3-T7 WeakPolarHBondContact O-CG2 3.15Å; I3-T7 PolarHBondContact O-N 3.34Å; I3-T7 PolarHBondContact O-OG1 3.05Å
4F92.8Very high92.8Very high57 Ų5750.4 Ų50.425%0.2526%0.26CS..Hα-helixtrans-68.3-41.3-178-55-70.2000112.5N2 T7 G8 V164 N165 W168N2-F4 VanDerWaalsContact C-N 3.26Å; N2-F4 PolarHBondContact O-N 2.84Å; N2-F4 PolarHBondContact OD1-N 2.94Å; F4-T7 PolarHBondContact O-OG1 3.45Å; F4-G8 PolarHBondContact O-N 2.94Å; F4-V164 HydrophobicContact CD1-CB 4.23Å; F4-V164 HydrophobicContact CD1-CG1 3.55Å; F4-V164 HydrophobicContact CD2-CG1 4.12Å; F4-V164 HydrophobicContact CE1-CG1 3.65Å; F4-V164 HydrophobicContact CE2-CG1 4.22Å; F4-V164 HydrophobicContact CG-CB 4.37Å; F4-V164 HydrophobicContact CG-CG1 3.8Å; F4-V164 HydrophobicContact CZ-CG1 3.98Å; F4-N165 HydrophobicContact CB-CB 3.9Å; F4-W168 HydrophobicContact CD2-CB 4.31Å; F4-W168 HydrophobicContact CD2-CD2 4.42Å; F4-W168 HydrophobicContact CD2-CE3 4.35Å; F4-W168 HydrophobicContact CD2-CG 4.42Å; F4-W168 HydrophobicContact CE2-CB 4.48Å; F4-W168 HydrophobicContact CE2-CD2 4.03Å; F4-W168 AromaticContact CE2-CE3 3.55Å; F4-W168 HydrophobicContact CE2-CE3 3.55Å; F4-W168 HydrophobicContact CE2-CG 4.45Å; F4-W168 HydrophobicContact CE2-CZ3 4.1Å; F4-W168 HydrophobicContact CZ-CE3 4.46Å
5R90.5Very high93Very high80 Ų8047 Ų4730%0.30224%0.243SC..Hα-helixtrans-65.7-43174-176.2174.7173-179.8-0.5111.3M1 N2 G8 D9 Y162 N165M1-R5 HydrophobicContact SD-CB 4.04Å; M1-R5 HydrophobicContact SD-CG 3.91Å; N2-R5 PolarHBondContact O-N 3.5Å; N2-R5 PolarHBondContact OD1-N 3.32Å; R5-G8 PolarHBondContact O-N 2.87Å; R5-D9 VanDerWaalsContact O-CG 3.29Å; R5-D9 PolarHBondContact O-N 3.35Å; R5-Y162 HydrophobicContact CG-CE2 4.43Å; R5-N165 HydrophobicContact CB-CB 4.37Å
6L92.2Very high93.2Very high60 Ų6045.1 Ų45.131%0.31423%0.233SC..Hα-helixtrans-63.3-48.8179.4-179.862.9000111.5M1 N2 I3 G8 D9 L10M1-L6 HydrophobicContact SD-CB 4.42Å; N2-L6 PolarHBondContact O-N 3.06Å; N2-L6 VanDerWaalsContact O-N 3.09Å; I3-L6 PolarHBondContact O-N 3.15Å; L6-G8 VanDerWaalsContact C-N 3.29Å; L6-G8 PolarHBondContact O-N 2.86Å; L6-D9 PolarHBondContact O-N 3.41Å; L6-L10 HydrophobicContact CD1-CD1 4.42Å; L6-L10 HydrophobicContact CD1-CG 4.48Å; L6-L10 HydrophobicContact CG-CD1 4.27Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.48Å; L6-L10 PolarHBondContact O-N 3.02Å
7T94.9Very high93.3Very high53 Ų5345.8 Ų45.833%0.32524%0.239SC..Hα-helixtrans-66.3-33.9177.454.50000111.9I3 F4 L10 S11I3-T7 HydrophobicContact CD1-CG2 4.06Å; I3-T7 HydrophobicContact CG1-CG2 4.26Å; I3-T7 WeakPolarHBondContact O-CG2 3.15Å; I3-T7 PolarHBondContact O-N 3.34Å; I3-T7 PolarHBondContact O-OG1 3.05Å; F4-T7 PolarHBondContact O-OG1 3.45Å; T7-L10 PolarHBondContact O-N 3.44Å; T7-S11 VanDerWaalsContact O-CB 3.31Å; T7-S11 WeakPolarHBondContact O-CB 3.32Å; T7-S11 PolarHBondContact O-N 3.45Å
8G95.1Very high93.4Very high0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-59.1-52.9170.200000111.9F4 R5 L6 L10 S11 H12 Y158F4-G8 PolarHBondContact O-N 2.94Å; R5-G8 PolarHBondContact O-N 2.87Å; L6-G8 VanDerWaalsContact C-N 3.29Å; L6-G8 PolarHBondContact O-N 2.86Å; G8-L10 VanDerWaalsContact C-N 3.33Å; G8-L10 PolarHBondContact O-N 3.2Å; G8-S11 WeakPolarHBondContact O-CB 3.25Å; G8-S11 PolarHBondContact O-N 3.38Å; G8-S11 VanDerWaalsContact O-N 3.15Å; G8-H12 PolarHBondContact O-N 3.1Å; G8-Y158 WeakPolarHBondContact O-CB 3.22Å
9D93.3Very high93.6Very high15 Ų1543.4 Ų43.48%0.0823%0.227CC..Hα-helixtrans-59-43.2178.4-71-18.2000111.7R5 L6 H12 L13 Y67 Y162R5-D9 VanDerWaalsContact O-CG 3.29Å; R5-D9 PolarHBondContact O-N 3.35Å; L6-D9 PolarHBondContact O-N 3.41Å; D9-H12 PolarHBondContact O-N 2.92Å; D9-L13 PolarHBondContact O-N 3.23Å; D9-Y67 PolarHBondContact O-OH 3.45Å; D9-Y162 WeakPolarHBondContact OD1-CE2 3.37Å; D9-Y162 PolarHBondContact OD1-OH 3.24Å
10L94.1Very high93.7Very high90 Ų9043.1 Ų43.147%0.47123%0.225SC..Hα-helixtrans-65.7-37.9176.5-67175.6000112.4L6 T7 G8 L13 A14L6-L10 HydrophobicContact CD1-CD1 4.42Å; L6-L10 HydrophobicContact CD1-CG 4.48Å; L6-L10 HydrophobicContact CG-CD1 4.27Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.48Å; L6-L10 PolarHBondContact O-N 3.02Å; T7-L10 PolarHBondContact O-N 3.44Å; G8-L10 VanDerWaalsContact C-N 3.33Å; G8-L10 PolarHBondContact O-N 3.2Å; L10-L13 PolarHBondContact O-N 3.04Å; L10-A14 WeakPolarHBondContact O-CB 3.41Å; L10-A14 PolarHBondContact O-N 3.24Å
11S95.6Very high93.8Very high10 Ų1044.9 Ų44.97%0.0723%0.234CC..Hα-helixtrans-63.3-42.1173.6-172.70000111.3T7 G8 A14 A15 F154T7-S11 VanDerWaalsContact O-CB 3.31Å; T7-S11 WeakPolarHBondContact O-CB 3.32Å; T7-S11 PolarHBondContact O-N 3.45Å; G8-S11 WeakPolarHBondContact O-CB 3.25Å; G8-S11 PolarHBondContact O-N 3.38Å; G8-S11 VanDerWaalsContact O-N 3.15Å; S11-A14 PolarHBondContact O-N 3.15Å; S11-A15 PolarHBondContact O-N 3.03Å; S11-F154 PolarHBondContact OG-O 2.8Å
12H96.1Very high94.6Very high8 Ų838.8 Ų38.84%0.03720%0.204CC..Hα-helixtrans-64.3-46.5177.1-166.9176.8000111.2G8 D9 A14 A15 I16 F44 E127 Y158G8-H12 PolarHBondContact O-N 3.1Å; D9-H12 PolarHBondContact O-N 2.92Å; H12-A14 VanDerWaalsContact C-N 3.32Å; H12-A14 PolarHBondContact O-N 3.43Å; H12-A15 WeakPolarHBondContact O-CB 3.33Å; H12-A15 PolarHBondContact O-N 3.48Å; H12-I16 PolarHBondContact O-N 3.45Å; H12-I16 VanDerWaalsContact O-N 3.09Å; H12-F44 AromaticContact CE1-CE1 3.83Å; H12-F44 AromaticContact CE1-CZ 3.55Å; H12-F44 AromaticContact NE2-CZ 3.65Å; H12-E127 IonicContact CE1-OE1 3.77Å; H12-Y158 HydrophobicContact CB-CD1 4.03Å; H12-Y158 HydrophobicContact CB-CD2 4.19Å; H12-Y158 HydrophobicContact CB-CG 3.79Å; H12-Y158 AromaticContact CE1-CE2 3.99Å; H12-Y158 AromaticContact CE1-CZ 3.82Å; H12-Y158 AromaticContact CG-CD1 3.91Å; H12-Y158 AromaticContact CG-CG 3.98Å; H12-Y158 AromaticContact ND1-CD2 3.94Å; H12-Y158 AromaticContact ND1-CE2 3.73Å; H12-Y158 AromaticContact ND1-CZ 3.95Å
13L95.3Very high94.9Very high36 Ų3638 Ų3819%0.18820%0.2CC..Hα-helixtrans-60.4-42.2175.3-177.561.4000111.7D9 L10 A15 I16 V17 M63 I66 Y67D9-L13 PolarHBondContact O-N 3.23Å; L10-L13 PolarHBondContact O-N 3.04Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 2.9Å; L13-I16 PolarHBondContact O-N 3.38Å; L13-V17 HydrophobicContact CD1-CG2 4.05Å; L13-V17 HydrophobicContact CG-CG2 4.3Å; L13-V17 WeakPolarHBondContact O-CB 3.39Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.36Å; L13-V17 PolarHBondContact O-N 3.45Å; L13-M63 HydrophobicContact CB-CE 4.27Å; L13-M63 HydrophobicContact CD2-CE 4.11Å; L13-M63 HydrophobicContact CD2-SD 4.27Å; L13-I66 HydrophobicContact CD1-CG2 3.6Å; L13-Y67 HydrophobicContact CB-CE1 4.06Å; L13-Y67 HydrophobicContact CD1-CD1 4.39Å; L13-Y67 HydrophobicContact CD1-CE1 4.03Å
14A95.8Very high95Very high34 Ų3438.7 Ų38.728%0.28120%0.196SC..Hα-helixtrans-58.5-44.9175.500000111.5L10 S11 H12 I16 V17 I18L10-A14 WeakPolarHBondContact O-CB 3.41Å; L10-A14 PolarHBondContact O-N 3.24Å; S11-A14 PolarHBondContact O-N 3.15Å; H12-A14 VanDerWaalsContact C-N 3.32Å; H12-A14 PolarHBondContact O-N 3.43Å; A14-I16 PolarHBondContact O-N 3.2Å; A14-V17 PolarHBondContact O-N 3.17Å; A14-I18 WeakPolarHBondContact O-CB 3.48Å; A14-I18 WeakPolarHBondContact O-CD1 3.45Å; A14-I18 WeakPolarHBondContact O-CG1 3.29Å; A14-I18 PolarHBondContact O-N 2.87Å
15A95.9Very high95.2Very high0 Ų043.6 Ų43.60%022%0.217CC..Hα-helixtrans-58-49.7176.600000112S11 H12 L13 V17 I18 L19 Y151 F154 L155S11-A15 PolarHBondContact O-N 3.03Å; H12-A15 WeakPolarHBondContact O-CB 3.33Å; H12-A15 PolarHBondContact O-N 3.48Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 2.9Å; A15-V17 PolarHBondContact O-N 3.04Å; A15-I18 PolarHBondContact O-N 2.86Å; A15-L19 PolarHBondContact O-N 2.99Å; A15-Y151 HydrophobicContact CB-CD2 4.03Å; A15-Y151 HydrophobicContact CB-CE2 4.49Å; A15-Y151 WeakPolarHBondContact O-CD2 3.33Å; A15-F154 HydrophobicContact CB-CB 3.79Å; A15-L155 HydrophobicContact CB-CB 3.98Å; A15-L155 HydrophobicContact CB-CD1 4.18Å
16I95.6Very high95.4Very high17 Ų1742.9 Ų42.99%0.08722%0.222CC..Hα-helixtrans-61.1-45.9-179.9-69.2169.7000111H12 L13 A14 L19 L20 F44 Y67 C70H12-I16 PolarHBondContact O-N 3.45Å; H12-I16 VanDerWaalsContact O-N 3.09Å; L13-I16 PolarHBondContact O-N 3.38Å; A14-I16 PolarHBondContact O-N 3.2Å; I16-L19 PolarHBondContact O-N 3.02Å; I16-L20 WeakPolarHBondContact O-CB 3.48Å; I16-L20 PolarHBondContact O-N 2.88Å; I16-F44 HydrophobicContact CD1-CE2 4.14Å; I16-F44 HydrophobicContact CD1-CZ 4.08Å; I16-Y67 HydrophobicContact CD1-CD1 3.47Å; I16-Y67 VanDerWaalsContact CD1-CD1 3.47Å; I16-Y67 HydrophobicContact CD1-CE1 3.8Å; I16-Y67 HydrophobicContact CD1-CG 4.37Å; I16-C70 HydrophobicContact CG2-CB 3.31Å
17V95.6Very high95.6Very high56 Ų5646.3 Ų46.334%0.33923%0.23SC..Hα-helixtrans-67.1-41.8179.9172.20000111.4L13 A14 A15 L19 L20 L21L13-V17 HydrophobicContact CD1-CG2 4.05Å; L13-V17 HydrophobicContact CG-CG2 4.3Å; L13-V17 WeakPolarHBondContact O-CB 3.39Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.36Å; L13-V17 PolarHBondContact O-N 3.45Å; A14-V17 PolarHBondContact O-N 3.17Å; A15-V17 PolarHBondContact O-N 3.04Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.26Å; V17-L20 PolarHBondContact O-N 3.45Å; V17-L21 HydrophobicContact CG1-CD1 3.65Å; V17-L21 HydrophobicContact CG1-CG 4.04Å; V17-L21 VanDerWaalsContact O-CB 3.28Å; V17-L21 WeakPolarHBondContact O-CB 3.4Å; V17-L21 VanDerWaalsContact O-CG 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.33Å; V17-L21 PolarHBondContact O-N 2.89Å
18I95.7Very high95.6Very high44 Ų4445 Ų4523%0.22622%0.224CC..Hα-helixtrans-57.4-48.1176.3-74.1164.4000110.3A14 A15 K22 I147 F154A14-I18 WeakPolarHBondContact O-CB 3.48Å; A14-I18 WeakPolarHBondContact O-CD1 3.45Å; A14-I18 WeakPolarHBondContact O-CG1 3.29Å; A14-I18 PolarHBondContact O-N 2.87Å; A15-I18 PolarHBondContact O-N 2.86Å; I18-K22 VanDerWaalsContact O-CB 3.26Å; I18-K22 WeakPolarHBondContact O-CB 3.48Å; I18-K22 PolarHBondContact O-N 3.19Å; I18-I147 HydrophobicContact CG2-CG2 3.87Å; I18-F154 HydrophobicContact CD1-CD2 3.46Å; I18-F154 VanDerWaalsContact CD1-CD2 3.46Å; I18-F154 HydrophobicContact CD1-CE2 3.65Å; I18-F154 HydrophobicContact CD1-CG 4.46Å
19L96.4Very high95.6Very high3 Ų345 Ų452%0.01622%0.224CC..Hα-helixtrans-63.8-47.7180179.961.3000111.8A15 I16 V17 L21 K22 I23 I32 Q37 T74 Y151A15-L19 PolarHBondContact O-N 2.99Å; I16-L19 PolarHBondContact O-N 3.02Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.26Å; L19-L21 PolarHBondContact O-N 3.5Å; L19-K22 WeakPolarHBondContact O-CB 3.45Å; L19-K22 PolarHBondContact O-N 3.25Å; L19-I23 HydrophobicContact CD1-CD1 3.99Å; L19-I23 HydrophobicContact CD1-CG1 4.35Å; L19-I23 HydrophobicContact CG-CD1 4.08Å; L19-I23 WeakPolarHBondContact O-CG1 3.36Å; L19-I23 PolarHBondContact O-N 2.85Å; L19-I32 HydrophobicContact CD1-CD1 3.65Å; L19-I32 HydrophobicContact CD1-CG1 3.97Å; L19-I32 HydrophobicContact CD1-CG2 4.1Å; L19-Q37 VanDerWaalsContact CD2-CD 3.49Å; L19-Q37 HydrophobicContact CD2-CG 4.4Å; L19-T74 HydrophobicContact CD2-CG2 3.96Å; L19-T74 HydrophobicContact CG-CG2 4.31Å; L19-Y151 HydrophobicContact CB-CD2 3.87Å; L19-Y151 HydrophobicContact CB-CE2 4.27Å; L19-Y151 HydrophobicContact CB-CG 4.21Å; L19-Y151 HydrophobicContact CD2-CD2 4.27Å; L19-Y151 HydrophobicContact CD2-CE1 4.38Å; L19-Y151 HydrophobicContact CD2-CE2 3.87Å
20L96.3Very high95.6Very high36 Ų3646.1 Ų46.119%0.18824%0.235CC..Hα-helixtrans-62.3-45.4-179.3-172.770.4000111.4I16 V17 I23 W24 C70 A73 T74 L77I16-L20 WeakPolarHBondContact O-CB 3.48Å; I16-L20 PolarHBondContact O-N 2.88Å; V17-L20 PolarHBondContact O-N 3.45Å; L20-I23 PolarHBondContact O-N 2.74Å; L20-W24 WeakPolarHBondContact O-CB 3.42Å; L20-W24 PolarHBondContact O-N 2.7Å; L20-C70 HydrophobicContact CD2-CB 4.42Å; L20-A73 HydrophobicContact CD1-CB 3.97Å; L20-T74 WeakPolarHBondContact CD1-OG1 3.34Å; L20-L77 HydrophobicContact CD1-CD1 3.63Å; L20-L77 HydrophobicContact CD1-CG 4.46Å
21L96Very high95.5Very high82 Ų8243.2 Ų43.243%0.42923%0.226SC..Hα-helixtrans-66-37.1176.6-71.6179.8000112.2V17 L19 W24 K25V17-L21 HydrophobicContact CG1-CD1 3.65Å; V17-L21 HydrophobicContact CG1-CG 4.04Å; V17-L21 VanDerWaalsContact O-CB 3.28Å; V17-L21 WeakPolarHBondContact O-CB 3.4Å; V17-L21 VanDerWaalsContact O-CG 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.33Å; V17-L21 PolarHBondContact O-N 2.89Å; L19-L21 PolarHBondContact O-N 3.5Å; L21-W24 PolarHBondContact O-N 2.98Å; L21-K25 VanDerWaalsContact O-CB 3.25Å; L21-K25 WeakPolarHBondContact O-CB 3.26Å; L21-K25 VanDerWaalsContact O-CG 3.32Å; L21-K25 WeakPolarHBondContact O-CG 3.4Å; L21-K25 PolarHBondContact O-N 2.87Å
22K95.5Very high95.5Very high10 Ų1042.8 Ų42.84%0.04322%0.223CC..Hα-helixtrans-55.9-58.2173.7-179.1-94.9-171.4177.10109.7I18 L19 W24 K25 T26 A30 E145 I147I18-K22 VanDerWaalsContact O-CB 3.26Å; I18-K22 WeakPolarHBondContact O-CB 3.48Å; I18-K22 PolarHBondContact O-N 3.19Å; L19-K22 WeakPolarHBondContact O-CB 3.45Å; L19-K22 PolarHBondContact O-N 3.25Å; K22-W24 VanDerWaalsContact C-N 3.3Å; K22-W24 PolarHBondContact O-N 3.34Å; K22-K25 PolarHBondContact O-N 3.39Å; K22-T26 WeakPolarHBondContact O-CB 3.27Å; K22-T26 WeakPolarHBondContact O-CG2 3.28Å; K22-T26 PolarHBondContact O-N 2.96Å; K22-T26 PolarHBondContact O-OG1 3.5Å; K22-A30 PolarHBondContact NZ-O 3.25Å; K22-E145 WeakPolarHBondContact CE-OE2 3.41Å; K22-E145 IonicContact NZ-OE2 3.14Å; K22-E145 PolarHBondContact NZ-OE2 3.07Å; K22-I147 HydrophobicContact CB-CG2 3.79Å; K22-I147 HydrophobicContact CG-CB 4.16Å; K22-I147 HydrophobicContact CG-CD1 4.45Å; K22-I147 HydrophobicContact CG-CG2 3.68Å
23I96.7Very high95.5Very high0 Ų042.4 Ų42.40%022%0.221CC..Hα-helixtrans-60.7-42-177.5-62.2167.3000110.8L19 L20 R27 S28 C29 T74 L77 I78 F82L19-I23 HydrophobicContact CD1-CD1 3.99Å; L19-I23 HydrophobicContact CD1-CG1 4.35Å; L19-I23 HydrophobicContact CG-CD1 4.08Å; L19-I23 WeakPolarHBondContact O-CG1 3.36Å; L19-I23 PolarHBondContact O-N 2.85Å; L20-I23 PolarHBondContact O-N 2.74Å; I23-R27 WeakPolarHBondContact O-CA 3.09Å; I23-R27 PolarHBondContact O-N 3.15Å; I23-S28 PolarHBondContact O-N 2.91Å; I23-C29 HydrophobicContact CD1-CB 4.49Å; I23-C29 HydrophobicContact CG1-CB 4.39Å; I23-C29 HydrophobicContact CG2-CB 4.21Å; I23-T74 HydrophobicContact CD1-CG2 3.98Å; I23-L77 HydrophobicContact CB-CD1 4.21Å; I23-L77 HydrophobicContact CG2-CB 3.79Å; I23-L77 HydrophobicContact CG2-CD1 3.86Å; I23-L77 HydrophobicContact CG2-CG 4.45Å; I23-I78 HydrophobicContact CD1-CD1 4.34Å; I23-I78 HydrophobicContact CD1-CG1 4.15Å; I23-F82 HydrophobicContact CG2-CD2 3.57Å; I23-F82 HydrophobicContact CG2-CE2 3.99Å
24W96.7Very high95.6Very high121 Ų12140.7 Ų40.746%0.45821%0.212SC..Hα-helixtrans-66-45.6179.9-176.3-97.7000113.2L20 L21 K22 R27 L77 K81L20-W24 WeakPolarHBondContact O-CB 3.42Å; L20-W24 PolarHBondContact O-N 2.7Å; L21-W24 PolarHBondContact O-N 2.98Å; K22-W24 VanDerWaalsContact C-N 3.3Å; K22-W24 PolarHBondContact O-N 3.34Å; W24-R27 WeakPolarHBondContact O-CD 3.29Å; W24-L77 HydrophobicContact CE3-CD1 4.39Å; W24-L77 HydrophobicContact CE3-CD2 4.06Å; W24-L77 HydrophobicContact CZ3-CD2 4.25Å; W24-K81 HydrophobicContact CZ3-CD 4.22Å; W24-K81 VanDerWaalsContact CZ3-NZ 3.29Å
25K96.4Very high95.7Very high160 Ų16041.5 Ų41.570%0.69621%0.209SC*.Hα-helixtrans-74.3-40.9-176.9-73.2-175.8175.1-174.80112.4L21 K22 R27L21-K25 VanDerWaalsContact O-CB 3.25Å; L21-K25 WeakPolarHBondContact O-CB 3.26Å; L21-K25 VanDerWaalsContact O-CG 3.32Å; L21-K25 WeakPolarHBondContact O-CG 3.4Å; L21-K25 PolarHBondContact O-N 2.87Å; K22-K25 PolarHBondContact O-N 3.39Å; K25-R27 VanDerWaalsContact C-N 3.27Å; K25-R27 PolarHBondContact O-N 3.43Å
26T95.3Very high95.8Very high66 Ų6641.5 Ų41.541%0.40521%0.209SC..Hα-helixtrans-80.6-10.5178.964.60000112.9K22 S28K22-T26 WeakPolarHBondContact O-CB 3.27Å; K22-T26 WeakPolarHBondContact O-CG2 3.28Å; K22-T26 PolarHBondContact O-N 2.96Å; K22-T26 PolarHBondContact O-OG1 3.5Å; T26-S28 PolarHBondContact O-N 3.47Å; T26-S28 VanDerWaalsContact O-N 3.15Å; T26-S28 PolarHBondContact OG1-N 2.95Å; T26-S28 PolarHBondContact OG1-O 3.27Å; T26-S28 VanDerWaalsContact OG1-O 3.1Å
27R96.1Very high96Very high132 Ų13241.2 Ų41.250%0.49821%0.208SC..THydrogen-bonded Turntrans5428.5-172.3-47.7-61.8-113.4-176.6-9.1112.4I23 W24 K25 F82I23-R27 WeakPolarHBondContact O-CA 3.09Å; I23-R27 PolarHBondContact O-N 3.15Å; W24-R27 WeakPolarHBondContact O-CD 3.29Å; K25-R27 VanDerWaalsContact C-N 3.27Å; K25-R27 PolarHBondContact O-N 3.43Å; R27-F82 HydrophobicContact CB-CD1 4.2Å; R27-F82 HydrophobicContact CB-CE1 3.67Å; R27-F82 HydrophobicContact CB-CZ 4.18Å; R27-F82 HydrophobicContact CG-CE1 4.36Å; R27-F82 WeakPolarHBondContact O-CD1 3.34Å
28S94.9Very high96.1Very high26 Ų2642.3 Ų42.318%0.18221%0.211CC..  trans-147.5134.5-173.1175.60000111.9I23 T26 A30 T85I23-S28 PolarHBondContact O-N 2.91Å; T26-S28 PolarHBondContact O-N 3.47Å; T26-S28 VanDerWaalsContact O-N 3.15Å; T26-S28 PolarHBondContact OG1-N 2.95Å; T26-S28 PolarHBondContact OG1-O 3.27Å; T26-S28 VanDerWaalsContact OG1-O 3.1Å; S28-A30 WeakPolarHBondContact OG-CB 3.39Å; S28-A30 PolarHBondContact OG-N 3.21Å; S28-T85 WeakPolarHBondContact CA-OG1 3.13Å
29C94.9Very high96.2Very high0 Ų040.6 Ų40.60%020%0.203CC..  trans-104.218.7171.759.10000113.1I23 G31 I32 I78 F82 T85I23-C29 HydrophobicContact CD1-CB 4.49Å; I23-C29 HydrophobicContact CG1-CB 4.39Å; I23-C29 HydrophobicContact CG2-CB 4.21Å; C29-G31 PolarHBondContact O-N 2.7Å; C29-I32 WeakPolarHBondContact O-CB 3.46Å; C29-I32 PolarHBondContact O-N 2.98Å; C29-I32 VanDerWaalsContact O-N 3.15Å; C29-I78 HydrophobicContact CB-CG1 3.88Å; C29-F82 PolarHBondContact SG-O 3.44Å; C29-F82 VanDerWaalsContact SG-O 3.38Å; C29-T85 PolarHBondContact N-OG1 3.46Å; C29-T85 PolarHBondContact SG-OG1 3.12Å
30A92.9Very high96.3Very high38 Ų3840.8 Ų40.831%0.31420%0.203SC..THydrogen-bonded Turntrans-53.2137.217500000111.5K22 S28 I32 T85K22-A30 PolarHBondContact NZ-O 3.25Å; S28-A30 WeakPolarHBondContact OG-CB 3.39Å; S28-A30 PolarHBondContact OG-N 3.21Å; A30-I32 VanDerWaalsContact C-N 3.26Å; A30-I32 PolarHBondContact O-N 3.3Å; A30-T85 WeakPolarHBondContact CA-O 3.22Å; A30-T85 PolarHBondContact N-O 3.05Å
31G92Very high96.4Very high28 Ų2839.3 Ų39.329%0.28920%0.196SC..THydrogen-bonded Turntrans75.21.7-17900000116.1C29 Q134C29-G31 PolarHBondContact O-N 2.7Å; G31-Q134 PolarHBondContact O-NE2 3.08Å
32I95.5Very high96.5Very high1 Ų138.4 Ų38.41%0.00519%0.191CC..  trans-103.7126.2179.3-52-55.9000110.2L19 C29 A30 G34 Q37 I78 T148L19-I32 HydrophobicContact CD1-CD1 3.65Å; L19-I32 HydrophobicContact CD1-CG1 3.97Å; L19-I32 HydrophobicContact CD1-CG2 4.1Å; C29-I32 WeakPolarHBondContact O-CB 3.46Å; C29-I32 PolarHBondContact O-N 2.98Å; C29-I32 VanDerWaalsContact O-N 3.15Å; A30-I32 VanDerWaalsContact C-N 3.26Å; A30-I32 PolarHBondContact O-N 3.3Å; I32-G34 PolarHBondContact O-N 3.22Å; I32-Q37 HydrophobicContact CG2-CG 4.31Å; I32-I78 HydrophobicContact CG2-CD1 3.87Å; I32-T148 HydrophobicContact CD1-CG2 3.71Å
33S96.7Very high96.7Very high0 Ų037.9 Ų37.90%019%0.189CC..  trans-73.9111.8174.5169.80000109.7K35 S36 Q37 D91 P133S33-K35 PolarHBondContact O-N 3.37Å; S33-S36 PolarHBondContact O-N 2.67Å; S33-S36 PolarHBondContact OG-N 3.34Å; S33-S36 VanDerWaalsContact OG-N 3.15Å; S33-S36 PolarHBondContact OG-OG 2.92Å; S33-Q37 PolarHBondContact O-N 3.47Å; S33-D91 WeakPolarHBondContact CA-OD2 3.44Å; S33-D91 WeakPolarHBondContact CB-OD1 3.41Å; S33-D91 VanDerWaalsContact OG-CG 3.24Å; S33-D91 PolarHBondContact OG-OD1 2.85Å; S33-D91 PolarHBondContact OG-OD2 3.23Å; S33-P133 VanDerWaalsContact OG-CB 3.3Å; S33-P133 WeakPolarHBondContact OG-CB 3.34Å
34G97.6Very high96.7Very high0 Ų038 Ų380%019%0.19CC..Hα-helixtrans-65.4-33.4173.900000111.2I32 S36 Q37 L38 Y79 D91I32-G34 PolarHBondContact O-N 3.22Å; G34-S36 PolarHBondContact O-N 3.17Å; G34-Q37 PolarHBondContact O-N 3.31Å; G34-L38 PolarHBondContact O-N 3.49Å; G34-Y79 WeakPolarHBondContact CA-OH 3.38Å; G34-Y79 PolarHBondContact O-OH 3.37Å; G34-D91 PolarHBondContact N-OD2 3.46Å
35K98.1Very high96.8Very high51 Ų5134.1 Ų34.122%0.22218%0.18CC..Hα-helixtrans-59.8-45.3175.6-75.7174.3173.51720112.2S33 Q37 L38 L39 Y79 D91 F93 V95 P133S33-K35 PolarHBondContact O-N 3.37Å; K35-Q37 VanDerWaalsContact C-N 3.3Å; K35-Q37 PolarHBondContact O-N 3.36Å; K35-L38 PolarHBondContact O-N 3.38Å; K35-L39 WeakPolarHBondContact O-CG 3.45Å; K35-L39 PolarHBondContact O-N 3.39Å; K35-Y79 PolarHBondContact N-OH 3.48Å; K35-D91 WeakPolarHBondContact CD-O 3.46Å; K35-D91 VanDerWaalsContact CE-O 3.28Å; K35-D91 WeakPolarHBondContact CE-O 3.48Å; K35-D91 PolarHBondContact N-OD2 3.48Å; K35-D91 PolarHBondContact NZ-O 2.99Å; K35-F93 VanDerWaalsContact CD-O 3.26Å; K35-F93 WeakPolarHBondContact CD-O 3.33Å; K35-F93 WeakPolarHBondContact CE-O 2.96Å; K35-F93 PolarHBondContact NZ-O 3.48Å; K35-V95 HydrophobicContact CB-CG1 3.84Å; K35-V95 HydrophobicContact CD-CG1 4.04Å; K35-V95 HydrophobicContact CG-CG1 4.11Å; K35-P133 HydrophobicContact CB-CB 3.85Å; K35-P133 HydrophobicContact CB-CG 4.19Å
36S97.8Very high96.8Very high0 Ų027.2 Ų27.20%015%0.151CC..Hα-helixtrans-61-41.6176-57.60000111.6S33 G34 L38 L39 F40 A130 P133 Q134S33-S36 PolarHBondContact O-N 2.67Å; S33-S36 PolarHBondContact OG-N 3.34Å; S33-S36 VanDerWaalsContact OG-N 3.15Å; S33-S36 PolarHBondContact OG-OG 2.92Å; G34-S36 PolarHBondContact O-N 3.17Å; S36-L38 PolarHBondContact O-N 2.93Å; S36-L39 PolarHBondContact O-N 3.39Å; S36-F40 WeakPolarHBondContact O-CD2 3.13Å; S36-F40 PolarHBondContact O-N 3.47Å; S36-A130 WeakPolarHBondContact CA-O 3.46Å; S36-A130 WeakPolarHBondContact CB-O 3.41Å; S36-A130 PolarHBondContact OG-O 3.28Å; S36-P133 WeakPolarHBondContact OG-CB 3.3Å; S36-Q134 WeakPolarHBondContact OG-CB 3.45Å; S36-Q134 PolarHBondContact OG-N 3.31Å
37Q98.3Very high96.9Very high12 Ų1225.6 Ų25.66%0.05614%0.137CC..Hα-helixtrans-67.2-35.7179-58.8-52.1-50.900112.5L19 I32 S33 G34 K35 F40 A41 T74 V75 I78 Y151L19-Q37 VanDerWaalsContact CD2-CD 3.49Å; L19-Q37 HydrophobicContact CD2-CG 4.4Å; I32-Q37 HydrophobicContact CG2-CG 4.31Å; S33-Q37 PolarHBondContact O-N 3.47Å; G34-Q37 PolarHBondContact O-N 3.31Å; K35-Q37 VanDerWaalsContact C-N 3.3Å; K35-Q37 PolarHBondContact O-N 3.36Å; Q37-F40 PolarHBondContact O-N 2.89Å; Q37-A41 WeakPolarHBondContact O-CB 3.32Å; Q37-A41 PolarHBondContact O-N 3.39Å; Q37-T74 HydrophobicContact CB-CG2 4.38Å; Q37-T74 HydrophobicContact CG-CG2 3.9Å; Q37-V75 HydrophobicContact CB-CG2 4.08Å; Q37-I78 HydrophobicContact CB-CD1 4.07Å; Q37-I78 HydrophobicContact CG-CD1 3.59Å; Q37-Y151 PolarHBondContact NE2-OH 2.96Å; Q37-Y151 VanDerWaalsContact NE2-OH 3.1Å
38L98.3Very high97Very high79 Ų7920.7 Ų20.741%0.41412%0.119SC..Hα-helixtrans-62.4-42.6170.7-76.4171000111.8G34 K35 S36 A41 L42 V75 Y79G34-L38 PolarHBondContact O-N 3.49Å; K35-L38 PolarHBondContact O-N 3.38Å; S36-L38 PolarHBondContact O-N 2.93Å; L38-A41 PolarHBondContact O-N 3.31Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 PolarHBondContact O-N 2.92Å; L38-V75 HydrophobicContact CD2-CG1 3.6Å; L38-V75 HydrophobicContact CD2-CG2 4.16Å; L38-V75 HydrophobicContact CG-CG1 4.44Å; L38-Y79 HydrophobicContact CD1-CE2 3.62Å; L38-Y79 WeakPolarHBondContact CD1-OH 3.27Å; L38-Y79 HydrophobicContact CD2-CE2 4.34Å; L38-Y79 HydrophobicContact CG-CE2 3.74Å
39L98.5Very high96.9Very high8 Ų822 Ų224%0.04212%0.124CC..Hα-helixtrans-64.6-44.2176.7-63.9-176.8000111.6K35 S36 L42 V43 V95 L98 V99 L126 A130 P133K35-L39 WeakPolarHBondContact O-CG 3.45Å; K35-L39 PolarHBondContact O-N 3.39Å; S36-L39 PolarHBondContact O-N 3.39Å; L39-L42 WeakPolarHBondContact O-CB 3.35Å; L39-L42 PolarHBondContact O-N 3.09Å; L39-V43 VanDerWaalsContact O-CG2 3.31Å; L39-V43 WeakPolarHBondContact O-CG2 3.4Å; L39-V43 PolarHBondContact O-N 3.06Å; L39-V95 HydrophobicContact CD1-CG1 4.1Å; L39-V95 HydrophobicContact CD2-CB 4.45Å; L39-V95 HydrophobicContact CG-CG1 4.45Å; L39-L98 HydrophobicContact CD1-CD1 3.93Å; L39-V99 HydrophobicContact CD2-CG2 3.76Å; L39-L126 HydrophobicContact CD2-CD1 4.2Å; L39-L126 HydrophobicContact CD2-CD2 4.49Å; L39-A130 HydrophobicContact CB-CB 3.81Å; L39-P133 HydrophobicContact CD1-CG 4.1Å
40F98.1Very high96.8Very high6 Ų624.1 Ų24.13%0.02614%0.135CC..Hα-helixtrans-63.9-40.2175.6-73.9-59000112.8S36 Q37 L42 V43 F44 E127 A130 I131 L155S36-F40 WeakPolarHBondContact O-CD2 3.13Å; S36-F40 PolarHBondContact O-N 3.47Å; Q37-F40 PolarHBondContact O-N 2.89Å; F40-L42 VanDerWaalsContact C-N 3.33Å; F40-L42 PolarHBondContact O-N 3.44Å; F40-V43 WeakPolarHBondContact O-CB 3.4Å; F40-V43 PolarHBondContact O-N 3.38Å; F40-F44 WeakPolarHBondContact O-CD2 3.44Å; F40-F44 PolarHBondContact O-N 3.03Å; F40-F44 VanDerWaalsContact O-N 3.07Å; F40-E127 HydrophobicContact CE1-CG 4.44Å; F40-A130 HydrophobicContact CD1-CB 3.84Å; F40-A130 HydrophobicContact CE1-CB 3.6Å; F40-A130 HydrophobicContact CE2-CB 4.3Å; F40-A130 HydrophobicContact CG-CB 4.28Å; F40-A130 HydrophobicContact CZ-CB 3.84Å; F40-I131 HydrophobicContact CE2-CD1 3.91Å; F40-I131 HydrophobicContact CZ-CB 4.22Å; F40-I131 HydrophobicContact CZ-CD1 4.09Å; F40-L155 HydrophobicContact CE2-CD2 4.03Å; F40-L155 HydrophobicContact CZ-CD2 3.78Å
41A98.4Very high96.8Very high5 Ų524.4 Ų24.44%0.04113%0.131CC..Hα-helixtrans-60.2-44.7172.800000110.9Q37 L38 V43 F44 T45 V75Q37-A41 WeakPolarHBondContact O-CB 3.32Å; Q37-A41 PolarHBondContact O-N 3.39Å; L38-A41 PolarHBondContact O-N 3.31Å; A41-V43 VanDerWaalsContact C-N 3.35Å; A41-V43 PolarHBondContact O-N 3.04Å; A41-F44 PolarHBondContact O-N 2.94Å; A41-T45 WeakPolarHBondContact O-CB 3.25Å; A41-T45 PolarHBondContact O-N 2.79Å; A41-T45 PolarHBondContact O-OG1 3.03Å; A41-V75 HydrophobicContact CB-CG2 4.08Å
42L98.4Very high96.7Very high63 Ų6331.6 Ų31.633%0.3316%0.155SC..Hα-helixtrans-62.9-38.1176.6-17860.9000112.8L38 L39 F40 T45 T46 F122 L126L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 PolarHBondContact O-N 2.92Å; L39-L42 WeakPolarHBondContact O-CB 3.35Å; L39-L42 PolarHBondContact O-N 3.09Å; F40-L42 VanDerWaalsContact C-N 3.33Å; F40-L42 PolarHBondContact O-N 3.44Å; L42-T45 PolarHBondContact O-N 2.87Å; L42-T46 HydrophobicContact CD1-CG2 4.05Å; L42-T46 WeakPolarHBondContact O-CG2 3.28Å; L42-T46 PolarHBondContact O-N 2.99Å; L42-T46 PolarHBondContact O-OG1 3.44Å; L42-F122 HydrophobicContact CD2-CE1 4.06Å; L42-F122 HydrophobicContact CD2-CZ 4.01Å; L42-F122 HydrophobicContact CG-CE1 4.06Å; L42-L126 HydrophobicContact CB-CD2 4.24Å; L42-L126 HydrophobicContact CD2-CD2 3.77Å; L42-L126 HydrophobicContact CG-CD2 3.97Å
43V98.4Very high96.4Very high0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-57.7-52.5173.1164.50000110.3L39 F40 A41 T45 T46 R47 L126 E127L39-V43 VanDerWaalsContact O-CG2 3.31Å; L39-V43 WeakPolarHBondContact O-CG2 3.4Å; L39-V43 PolarHBondContact O-N 3.06Å; F40-V43 WeakPolarHBondContact O-CB 3.4Å; F40-V43 PolarHBondContact O-N 3.38Å; A41-V43 VanDerWaalsContact C-N 3.35Å; A41-V43 PolarHBondContact O-N 3.04Å; V43-T45 PolarHBondContact O-N 3.43Å; V43-T46 PolarHBondContact O-N 3.45Å; V43-T46 PolarHBondContact O-OG1 3.31Å; V43-R47 WeakPolarHBondContact O-CB 3.45Å; V43-R47 PolarHBondContact O-N 3.03Å; V43-L126 HydrophobicContact CG2-CB 3.89Å; V43-L126 HydrophobicContact CG2-CD2 3.84Å; V43-L126 HydrophobicContact CG2-CG 3.81Å; V43-E127 HydrophobicContact CG1-CB 3.85Å; V43-E127 HydrophobicContact CG1-CG 4.17Å; V43-E127 HydrophobicContact CG2-CB 3.94Å
44F97.7Very high96.1Very high2 Ų238.6 Ų38.61%0.00920%0.2CC..Hα-helixtrans-67.3-38.1-178.3-62.7-44.5000112.2H12 I16 F40 A41 T46 R47 Y48 Y67 L68H12-F44 AromaticContact CE1-CE1 3.83Å; H12-F44 AromaticContact CE1-CZ 3.55Å; H12-F44 AromaticContact NE2-CZ 3.65Å; I16-F44 HydrophobicContact CD1-CE2 4.14Å; I16-F44 HydrophobicContact CD1-CZ 4.08Å; F40-F44 WeakPolarHBondContact O-CD2 3.44Å; F40-F44 PolarHBondContact O-N 3.03Å; F40-F44 VanDerWaalsContact O-N 3.07Å; A41-F44 PolarHBondContact O-N 2.94Å; F44-T46 PolarHBondContact O-N 3.29Å; F44-R47 PolarHBondContact O-N 3.16Å; F44-Y48 HydrophobicContact CB-CD2 3.88Å; F44-Y48 HydrophobicContact CB-CE2 3.83Å; F44-Y48 HydrophobicContact CD1-CD2 4.29Å; F44-Y48 AromaticContact CD1-CE2 3.4Å; F44-Y48 HydrophobicContact CD1-CE2 3.4Å; F44-Y48 AromaticContact CD1-CZ 3.8Å; F44-Y48 HydrophobicContact CE1-CE2 4.25Å; F44-Y48 HydrophobicContact CG-CD2 4.45Å; F44-Y48 AromaticContact CG-CE2 3.89Å; F44-Y48 HydrophobicContact CG-CE2 3.89Å; F44-Y48 VanDerWaalsContact O-CB 3.3Å; F44-Y48 WeakPolarHBondContact O-CB 3.39Å; F44-Y48 WeakPolarHBondContact O-CD2 3.3Å; F44-Y48 PolarHBondContact O-N 3.08Å; F44-Y67 HydrophobicContact CE1-CD2 4.45Å; F44-Y67 HydrophobicContact CE1-CG 4.48Å; F44-Y67 HydrophobicContact CZ-CG 4.46Å; F44-L68 HydrophobicContact CB-CD2 3.87Å; F44-L68 HydrophobicContact CB-CG 4.33Å
45T98.2Very high95.9Very high40 Ų4045.8 Ų45.825%0.24523%0.231CC..Hα-helixtrans-61.8-43.8177.1-61.10000112A41 L42 V43 L49 Y72A41-T45 WeakPolarHBondContact O-CB 3.25Å; A41-T45 PolarHBondContact O-N 2.79Å; A41-T45 PolarHBondContact O-OG1 3.03Å; L42-T45 PolarHBondContact O-N 2.87Å; V43-T45 PolarHBondContact O-N 3.43Å; T45-L49 WeakPolarHBondContact O-CD2 3.49Å; T45-L49 VanDerWaalsContact O-CG 3.29Å; T45-L49 WeakPolarHBondContact O-CG 3.31Å; T45-Y72 VanDerWaalsContact OG1-CE2 3.31Å; T45-Y72 WeakPolarHBondContact OG1-CE2 3.45Å; T45-Y72 PolarHBondContact OG1-OH 3.28Å
46T97.7Very high95.5Very high15 Ų1548.7 Ų48.79%0.09225%0.248CC..Hα-helixtrans-76.7-35.9179.651.30000112.6L42 V43 F44 L119 F122 S123L42-T46 HydrophobicContact CD1-CG2 4.05Å; L42-T46 WeakPolarHBondContact O-CG2 3.28Å; L42-T46 PolarHBondContact O-N 2.99Å; L42-T46 PolarHBondContact O-OG1 3.44Å; V43-T46 PolarHBondContact O-N 3.45Å; V43-T46 PolarHBondContact O-OG1 3.31Å; F44-T46 PolarHBondContact O-N 3.29Å; T46-L119 HydrophobicContact CG2-CD2 4.07Å; T46-F122 HydrophobicContact CG2-CD1 3.93Å; T46-F122 HydrophobicContact CG2-CE1 4.03Å; T46-S123 WeakPolarHBondContact OG1-CB 3.37Å
47R97.6Very high95.3Very high32 Ų3250.9 Ų50.912%0.12126%0.263CS..Hα-helixtrans-70-38179.8-169.6171.9-66.6170.3-3.3113.9V43 F44 S123 E127V43-R47 WeakPolarHBondContact O-CB 3.45Å; V43-R47 PolarHBondContact O-N 3.03Å; F44-R47 PolarHBondContact O-N 3.16Å; R47-S123 WeakPolarHBondContact CB-OG 3.3Å; R47-S123 PolarHBondContact NE-OG 2.89Å; R47-S123 VanDerWaalsContact NH2-C 3.34Å; R47-S123 PolarHBondContact NH2-O 2.83Å; R47-E127 IonicContact CZ-OE2 3.97Å; R47-E127 VanDerWaalsContact NH1-CD 3.26Å; R47-E127 IonicContact NH1-OE1 2.67Å; R47-E127 PolarHBondContact NH1-OE1 3.32Å; R47-E127 IonicContact NH1-OE2 2.67Å; R47-E127 PolarHBondContact NH1-OE2 3.09Å; R47-E127 IonicContact NH2-OE2 3.35Å; R47-E127 PolarHBondContact NH2-OE2 3.26Å
48Y96.4Very high95Very high29 Ų2956.4 Ų56.411%0.11429%0.293CS..THydrogen-bonded Turntrans-101.519.9-169.5-56.2-32.6000113.3F44 D50 L51 K64 Y67 L68F44-Y48 HydrophobicContact CB-CD2 3.88Å; F44-Y48 HydrophobicContact CB-CE2 3.83Å; F44-Y48 HydrophobicContact CD1-CD2 4.29Å; F44-Y48 AromaticContact CD1-CE2 3.4Å; F44-Y48 HydrophobicContact CD1-CE2 3.4Å; F44-Y48 AromaticContact CD1-CZ 3.8Å; F44-Y48 HydrophobicContact CE1-CE2 4.25Å; F44-Y48 HydrophobicContact CG-CD2 4.45Å; F44-Y48 AromaticContact CG-CE2 3.89Å; F44-Y48 HydrophobicContact CG-CE2 3.89Å; F44-Y48 VanDerWaalsContact O-CB 3.3Å; F44-Y48 WeakPolarHBondContact O-CB 3.39Å; F44-Y48 WeakPolarHBondContact O-CD2 3.3Å; F44-Y48 PolarHBondContact O-N 3.08Å; Y48-D50 WeakPolarHBondContact CA-OD1 3.31Å; Y48-D50 PolarHBondContact O-N 2.99Å; Y48-L51 WeakPolarHBondContact O-CB 3.39Å; Y48-L51 VanDerWaalsContact O-CG 3.28Å; Y48-L51 WeakPolarHBondContact O-CG 3.48Å; Y48-L51 PolarHBondContact O-N 3.11Å; Y48-K64 HydrophobicContact CD1-CB 4.38Å; Y48-K64 HydrophobicContact CD1-CD 3.73Å; Y48-K64 HydrophobicContact CD1-CG 3.61Å; Y48-K64 HydrophobicContact CD2-CB 3.95Å; Y48-K64 HydrophobicContact CD2-CG 4.02Å; Y48-K64 HydrophobicContact CE1-CD 4.33Å; Y48-K64 HydrophobicContact CE1-CG 3.83Å; Y48-K64 HydrophobicContact CE2-CB 4.33Å; Y48-K64 HydrophobicContact CE2-CG 4.22Å; Y48-K64 HydrophobicContact CG-CB 3.98Å; Y48-K64 HydrophobicContact CG-CD 3.94Å; Y48-K64 HydrophobicContact CG-CG 3.72Å; Y48-Y67 HydrophobicContact CE2-CD2 4.01Å; Y48-Y67 WeakPolarHBondContact OH-CD2 3.19Å; Y48-L68 HydrophobicContact CD2-CD1 4.3Å; Y48-L68 HydrophobicContact CD2-CG 4.16Å
49L94.5Very high94.7Very high53 Ų5356.7 Ų56.728%0.27729%0.289SS..G310 helixtrans-60-24.3170.3-67.7176.4000112.4T45 L51 F52 L116 L119T45-L49 WeakPolarHBondContact O-CD2 3.49Å; T45-L49 VanDerWaalsContact O-CG 3.29Å; T45-L49 WeakPolarHBondContact O-CG 3.31Å; L49-L51 PolarHBondContact O-N 3.06Å; L49-L51 VanDerWaalsContact O-N 3.16Å; L49-F52 WeakPolarHBondContact O-CD2 3.39Å; L49-F52 PolarHBondContact O-N 3.38Å; L49-L116 HydrophobicContact CB-CD2 4.04Å; L49-L119 HydrophobicContact CD1-CB 4.32Å; L49-L119 HydrophobicContact CD1-CD1 3.43Å; L49-L119 VanDerWaalsContact CD1-CD1 3.43Å; L49-L119 HydrophobicContact CD1-CG 4.4Å
50D92.1Very high94.4Very high45 Ų4557.6 Ų57.624%0.24129%0.294CS..G310 helixtrans-64.5-9.7172.270.5-18000113.7Y48 F52 T53 S54 K64Y48-D50 WeakPolarHBondContact CA-OD1 3.31Å; Y48-D50 PolarHBondContact O-N 2.99Å; D50-F52 PolarHBondContact O-N 2.93Å; D50-T53 WeakPolarHBondContact CA-OG1 3.47Å; D50-T53 PolarHBondContact O-N 2.78Å; D50-T53 VanDerWaalsContact O-N 3.08Å; D50-T53 PolarHBondContact O-OG1 3.41Å; D50-S54 PolarHBondContact O-N 2.82Å; D50-K64 IonicContact OD1-NZ 2.65Å; D50-K64 PolarHBondContact OD1-NZ 3.48Å; D50-K64 IonicContact OD2-NZ 3.88Å; D50-K64 PolarHBondContact OD2-NZ 2.94Å
51L92.1Very high94.3Very high43 Ų4359.1 Ų59.123%0.22530%0.304CS..G310 helixtrans-55.9-29.3169.3-82.3174000112.9Y48 L49 T61 K64 V65 L68Y48-L51 WeakPolarHBondContact O-CB 3.39Å; Y48-L51 VanDerWaalsContact O-CG 3.28Å; Y48-L51 WeakPolarHBondContact O-CG 3.48Å; Y48-L51 PolarHBondContact O-N 3.11Å; L49-L51 PolarHBondContact O-N 3.06Å; L49-L51 VanDerWaalsContact O-N 3.16Å; L51-T61 HydrophobicContact CD2-CG2 3.96Å; L51-K64 HydrophobicContact CD1-CB 3.97Å; L51-K64 HydrophobicContact CD2-CB 3.86Å; L51-K64 HydrophobicContact CD2-CD 3.65Å; L51-K64 HydrophobicContact CD2-CG 4.42Å; L51-K64 HydrophobicContact CG-CB 4.12Å; L51-K64 HydrophobicContact CG-CD 3.82Å; L51-V65 HydrophobicContact CD1-CG2 4.48Å; L51-L68 HydrophobicContact CD1-CD1 3.68Å
52F89.5Confident94.1Very high179 Ų17961.2 Ų61.279%0.78532%0.318SS*.G310 helixtrans-87.2-11.7-180-57.9-68.1000113.4L49 D50L49-F52 WeakPolarHBondContact O-CD2 3.39Å; L49-F52 PolarHBondContact O-N 3.38Å; D50-F52 PolarHBondContact O-N 2.93Å
53T90Very high93.9Very high92 Ų9259.1 Ų59.156%0.56431%0.307SS*.THydrogen-bonded Turntrans-120.7-25.9-172.362.80000113.6D50D50-T53 WeakPolarHBondContact CA-OG1 3.47Å; D50-T53 PolarHBondContact O-N 2.78Å; D50-T53 VanDerWaalsContact O-N 3.08Å; D50-T53 PolarHBondContact O-OG1 3.41Å
54S90.6Very high93.8Very high57 Ų5759.6 Ų59.640%0.39931%0.309SS..  trans-137.5122.4-166.5-60.60000112D50D50-S54 PolarHBondContact O-N 2.82Å
55F93Very high93.8Very high150 Ų15063.2 Ų63.266%0.65833%0.331SS*.  trans-104.8108.4169-179-98.2000110T61F55-T61 WeakPolarHBondContact CD2-OG1 3.28Å
56I90.4Very high93.7Very high113 Ų11364.5 Ų64.558%0.57934%0.336SS*.  trans-89.6-52.5178.5-59174.9000110.4N60I56-N60 HydrophobicContact CB-CB 4.14Å; I56-N60 HydrophobicContact CG2-CB 4.47Å
57S92.3Very high93.7Very high45 Ų4564.2 Ų64.232%0.31533%0.333SS..  trans-165.4159.8177.669.60000110.6Y59 N60 T61S57-Y59 PolarHBondContact O-N 3.46Å; S57-N60 PolarHBondContact O-N 3.41Å; S57-N60 VanDerWaalsContact O-N 3.08Å; S57-N60 WeakPolarHBondContact OG-CB 3.34Å; S57-N60 PolarHBondContact OG-N 3.19Å; S57-N60 VanDerWaalsContact OG-N 3.12Å; S57-T61 PolarHBondContact O-N 3.14Å; S57-T61 PolarHBondContact O-OG1 3.42Å
58L93.7Very high93.7Very high128 Ų12864.3 Ų64.367%0.6734%0.336SS*.Hα-helixtrans-55.8-41.2175.2-178.962.4000111.7S62L58-S62 WeakPolarHBondContact O-CB 3.26Å; L58-S62 PolarHBondContact O-N 2.96Å; L58-S62 PolarHBondContact O-OG 3Å
59Y91.6Very high93.7Very high85 Ų8565.7 Ų65.733%0.33335%0.353SS..Hα-helixtrans-60.2-48.2175.4173.2-95.6000111.6M1 S57 S62 M63M1-Y59 HydrophobicContact CE-CD1 4.45Å; M1-Y59 HydrophobicContact CE-CE1 3.97Å; S57-Y59 PolarHBondContact O-N 3.46Å; Y59-S62 PolarHBondContact O-N 2.92Å; Y59-M63 HydrophobicContact CD1-CG 4.39Å; Y59-M63 HydrophobicContact CD2-CG 4.12Å; Y59-M63 HydrophobicContact CE1-CG 4.03Å; Y59-M63 HydrophobicContact CE2-CG 3.75Å; Y59-M63 HydrophobicContact CE2-SD 4.18Å; Y59-M63 HydrophobicContact CG-CG 4.43Å; Y59-M63 WeakPolarHBondContact O-CB 3.39Å; Y59-M63 VanDerWaalsContact O-CG 3.26Å; Y59-M63 WeakPolarHBondContact O-CG 3.36Å; Y59-M63 PolarHBondContact O-N 3.4Å
60N91.9Very high93.9Very high28 Ų2864.2 Ų64.215%0.1535%0.347CS..Hα-helixtrans-62.3-49.4-178.7-177.1-92.1000111.6I56 S57 M63 K64I56-N60 HydrophobicContact CB-CB 4.14Å; I56-N60 HydrophobicContact CG2-CB 4.47Å; S57-N60 PolarHBondContact O-N 3.41Å; S57-N60 VanDerWaalsContact O-N 3.08Å; S57-N60 WeakPolarHBondContact OG-CB 3.34Å; S57-N60 PolarHBondContact OG-N 3.19Å; S57-N60 VanDerWaalsContact OG-N 3.12Å; N60-M63 PolarHBondContact O-N 3.4Å; N60-K64 WeakPolarHBondContact O-CG 3.3Å; N60-K64 PolarHBondContact O-N 3.47Å; N60-K64 VanDerWaalsContact O-N 3.1Å; N60-K64 WeakPolarHBondContact OD1-CE 3.35Å; N60-K64 PolarHBondContact OD1-NZ 3Å
61T94.8Very high94.2Very high37 Ų3762.2 Ų62.223%0.22734%0.337CS..Hα-helixtrans-61.9-45.4178.5-58.40000111.1L51 F55 S57 M63 K64 V65L51-T61 HydrophobicContact CD2-CG2 3.96Å; F55-T61 WeakPolarHBondContact CD2-OG1 3.28Å; S57-T61 PolarHBondContact O-N 3.14Å; S57-T61 PolarHBondContact O-OG1 3.42Å; T61-M63 PolarHBondContact O-N 3.49Å; T61-K64 PolarHBondContact O-N 3.37Å; T61-V65 WeakPolarHBondContact O-CG2 3.38Å; T61-V65 PolarHBondContact O-N 3.01Å; T61-V65 VanDerWaalsContact O-N 3.09Å
62S95.1Very high94.5Very high49 Ų4966 Ų6634%0.34335%0.349SS..Hα-helixtrans-62-45.4179.5-57.70000111.9L58 Y59 K64 V65 I66L58-S62 WeakPolarHBondContact O-CB 3.26Å; L58-S62 PolarHBondContact O-N 2.96Å; L58-S62 PolarHBondContact O-OG 3Å; Y59-S62 PolarHBondContact O-N 2.92Å; S62-K64 PolarHBondContact O-N 3.13Å; S62-V65 PolarHBondContact O-N 2.91Å; S62-I66 VanDerWaalsContact O-CG1 3.25Å; S62-I66 WeakPolarHBondContact O-CG1 3.5Å; S62-I66 PolarHBondContact O-N 3.27Å
63M94.4Very high94.9Very high19 Ų1959.2 Ų59.29%0.09433%0.325CS..Hα-helixtrans-62.6-42178.9-73.7-62.8-65.900112.4L13 Y59 N60 T61 I66 Y67L13-M63 HydrophobicContact CB-CE 4.27Å; L13-M63 HydrophobicContact CD2-CE 4.11Å; L13-M63 HydrophobicContact CD2-SD 4.27Å; Y59-M63 HydrophobicContact CD1-CG 4.39Å; Y59-M63 HydrophobicContact CD2-CG 4.12Å; Y59-M63 HydrophobicContact CE1-CG 4.03Å; Y59-M63 HydrophobicContact CE2-CG 3.75Å; Y59-M63 HydrophobicContact CE2-SD 4.18Å; Y59-M63 HydrophobicContact CG-CG 4.43Å; Y59-M63 WeakPolarHBondContact O-CB 3.39Å; Y59-M63 VanDerWaalsContact O-CG 3.26Å; Y59-M63 WeakPolarHBondContact O-CG 3.36Å; Y59-M63 PolarHBondContact O-N 3.4Å; N60-M63 PolarHBondContact O-N 3.4Å; T61-M63 PolarHBondContact O-N 3.49Å; M63-I66 PolarHBondContact O-N 2.9Å; M63-Y67 HydrophobicContact CE-CE1 3.97Å; M63-Y67 HydrophobicContact CE-CE2 4.05Å; M63-Y67 VanDerWaalsContact CE-OH 3.24Å; M63-Y67 WeakPolarHBondContact CE-OH 3.31Å; M63-Y67 WeakPolarHBondContact O-CD2 3.43Å; M63-Y67 PolarHBondContact O-N 3.48Å
64K96.3Very high95.3Very high11 Ų1154.9 Ų54.95%0.04830%0.299CS..Hα-helixtrans-60.8-45175.8-71.1179.5175.8177.80111.9Y48 D50 L51 N60 T61 S62 Y67 L68Y48-K64 HydrophobicContact CD1-CB 4.38Å; Y48-K64 HydrophobicContact CD1-CD 3.73Å; Y48-K64 HydrophobicContact CD1-CG 3.61Å; Y48-K64 HydrophobicContact CD2-CB 3.95Å; Y48-K64 HydrophobicContact CD2-CG 4.02Å; Y48-K64 HydrophobicContact CE1-CD 4.33Å; Y48-K64 HydrophobicContact CE1-CG 3.83Å; Y48-K64 HydrophobicContact CE2-CB 4.33Å; Y48-K64 HydrophobicContact CE2-CG 4.22Å; Y48-K64 HydrophobicContact CG-CB 3.98Å; Y48-K64 HydrophobicContact CG-CD 3.94Å; Y48-K64 HydrophobicContact CG-CG 3.72Å; D50-K64 IonicContact OD1-NZ 2.65Å; D50-K64 PolarHBondContact OD1-NZ 3.48Å; D50-K64 IonicContact OD2-NZ 3.88Å; D50-K64 PolarHBondContact OD2-NZ 2.94Å; L51-K64 HydrophobicContact CD1-CB 3.97Å; L51-K64 HydrophobicContact CD2-CB 3.86Å; L51-K64 HydrophobicContact CD2-CD 3.65Å; L51-K64 HydrophobicContact CD2-CG 4.42Å; L51-K64 HydrophobicContact CG-CB 4.12Å; L51-K64 HydrophobicContact CG-CD 3.82Å; N60-K64 WeakPolarHBondContact O-CG 3.3Å; N60-K64 PolarHBondContact O-N 3.47Å; N60-K64 VanDerWaalsContact O-N 3.1Å; N60-K64 WeakPolarHBondContact OD1-CE 3.35Å; N60-K64 PolarHBondContact OD1-NZ 3Å; T61-K64 PolarHBondContact O-N 3.37Å; S62-K64 PolarHBondContact O-N 3.13Å; K64-Y67 PolarHBondContact O-N 3.15Å; K64-L68 WeakPolarHBondContact O-CG 3.26Å; K64-L68 PolarHBondContact O-N 2.73Å
65V96.6Very high95.6Very high78 Ų7853.2 Ų53.247%0.47329%0.287SS..Hα-helixtrans-62.7-42.9176.7172.90000111.1L51 T61 S62 L68 A69L51-V65 HydrophobicContact CD1-CG2 4.48Å; T61-V65 WeakPolarHBondContact O-CG2 3.38Å; T61-V65 PolarHBondContact O-N 3.01Å; T61-V65 VanDerWaalsContact O-N 3.09Å; S62-V65 PolarHBondContact O-N 2.91Å; V65-L68 PolarHBondContact O-N 2.9Å; V65-A69 VanDerWaalsContact O-CB 3.29Å; V65-A69 WeakPolarHBondContact O-CB 3.24Å; V65-A69 PolarHBondContact O-N 2.77Å
66I96.9Very high95.9Very high67 Ų6751.8 Ų51.834%0.34428%0.277SS..Hα-helixtrans-61.5-46.6177-70165.1000111L13 S62 M63 L68 A69 C70L13-I66 HydrophobicContact CD1-CG2 3.6Å; S62-I66 VanDerWaalsContact O-CG1 3.25Å; S62-I66 WeakPolarHBondContact O-CG1 3.5Å; S62-I66 PolarHBondContact O-N 3.27Å; M63-I66 PolarHBondContact O-N 2.9Å; I66-L68 PolarHBondContact O-N 2.95Å; I66-A69 PolarHBondContact O-N 2.88Å; I66-C70 WeakPolarHBondContact O-CB 3.33Å; I66-C70 PolarHBondContact O-N 3.14Å; I66-C70 PolarHBondContact O-SG 3.35Å; I66-C70 VanDerWaalsContact O-SG 3.36Å
67Y96.8Very high96.3Very high8 Ų846.7 Ų46.73%0.03125%0.252CS..Hα-helixtrans-62.7-42.5178.5-69.2-31.5000112.9D9 L13 I16 F44 Y48 M63 K64 S71D9-Y67 PolarHBondContact O-OH 3.45Å; L13-Y67 HydrophobicContact CB-CE1 4.06Å; L13-Y67 HydrophobicContact CD1-CD1 4.39Å; L13-Y67 HydrophobicContact CD1-CE1 4.03Å; I16-Y67 HydrophobicContact CD1-CD1 3.47Å; I16-Y67 VanDerWaalsContact CD1-CD1 3.47Å; I16-Y67 HydrophobicContact CD1-CE1 3.8Å; I16-Y67 HydrophobicContact CD1-CG 4.37Å; F44-Y67 HydrophobicContact CE1-CD2 4.45Å; F44-Y67 HydrophobicContact CE1-CG 4.48Å; F44-Y67 HydrophobicContact CZ-CG 4.46Å; Y48-Y67 HydrophobicContact CE2-CD2 4.01Å; Y48-Y67 WeakPolarHBondContact OH-CD2 3.19Å; M63-Y67 HydrophobicContact CE-CE1 3.97Å; M63-Y67 HydrophobicContact CE-CE2 4.05Å; M63-Y67 VanDerWaalsContact CE-OH 3.24Å; M63-Y67 WeakPolarHBondContact CE-OH 3.31Å; M63-Y67 WeakPolarHBondContact O-CD2 3.43Å; M63-Y67 PolarHBondContact O-N 3.48Å; K64-Y67 PolarHBondContact O-N 3.15Å; Y67-S71 VanDerWaalsContact O-CB 3.28Å; Y67-S71 WeakPolarHBondContact O-CB 3.35Å; Y67-S71 PolarHBondContact O-N 3.17Å; Y67-S71 PolarHBondContact O-OG 3.01Å
68L97.5Very high96.5Very high34 Ų3444.6 Ų44.618%0.17824%0.237CC..Hα-helixtrans-61.9-53.9173.7-76.1163.2000110.7F44 Y48 L51 K64 V65 I66 C70 S71 Y72F44-L68 HydrophobicContact CB-CD2 3.87Å; F44-L68 HydrophobicContact CB-CG 4.33Å; Y48-L68 HydrophobicContact CD2-CD1 4.3Å; Y48-L68 HydrophobicContact CD2-CG 4.16Å; L51-L68 HydrophobicContact CD1-CD1 3.68Å; K64-L68 WeakPolarHBondContact O-CG 3.26Å; K64-L68 PolarHBondContact O-N 2.73Å; V65-L68 PolarHBondContact O-N 2.9Å; I66-L68 PolarHBondContact O-N 2.95Å; L68-C70 VanDerWaalsContact C-N 3.34Å; L68-C70 PolarHBondContact O-N 2.8Å; L68-S71 PolarHBondContact O-N 3.09Å; L68-S71 PolarHBondContact O-OG 3.39Å; L68-Y72 HydrophobicContact CD2-CD2 4.47Å; L68-Y72 HydrophobicContact CD2-CE2 4.01Å; L68-Y72 VanDerWaalsContact O-CD2 3.3Å; L68-Y72 WeakPolarHBondContact O-CD2 3.39Å; L68-Y72 PolarHBondContact O-N 2.78Å
69A98.1Very high96.7Very high59 Ų5941.5 Ų41.549%0.48822%0.217SC..Hα-helixtrans-57-46.3-178.800000112.2V65 I66 A73V65-A69 VanDerWaalsContact O-CB 3.29Å; V65-A69 WeakPolarHBondContact O-CB 3.24Å; V65-A69 PolarHBondContact O-N 2.77Å; I66-A69 PolarHBondContact O-N 2.88Å; A69-A73 WeakPolarHBondContact O-CB 3.42Å; A69-A73 PolarHBondContact O-N 2.9Å
70C97.9Very high97Very high21 Ų2143.2 Ų43.214%0.14223%0.231CC..Hα-helixtrans-70.4-37-179.4-68.90000113.4I16 L20 I66 L68 T74I16-C70 HydrophobicContact CG2-CB 3.31Å; L20-C70 HydrophobicContact CD2-CB 4.42Å; I66-C70 WeakPolarHBondContact O-CB 3.33Å; I66-C70 PolarHBondContact O-N 3.14Å; I66-C70 PolarHBondContact O-SG 3.35Å; I66-C70 VanDerWaalsContact O-SG 3.36Å; L68-C70 VanDerWaalsContact C-N 3.34Å; L68-C70 PolarHBondContact O-N 2.8Å; C70-T74 WeakPolarHBondContact O-CB 3.18Å; C70-T74 PolarHBondContact O-N 2.92Å; C70-T74 PolarHBondContact O-OG1 3.4Å
71S97.8Very high97.3Very high4 Ų446 Ų463%0.02824%0.242CC..Hα-helixtrans-67.8-47.7177.256.70000111.5Y67 L68 A73 T74 V75Y67-S71 VanDerWaalsContact O-CB 3.28Å; Y67-S71 WeakPolarHBondContact O-CB 3.35Å; Y67-S71 PolarHBondContact O-N 3.17Å; Y67-S71 PolarHBondContact O-OG 3.01Å; L68-S71 PolarHBondContact O-N 3.09Å; L68-S71 PolarHBondContact O-OG 3.39Å; S71-A73 VanDerWaalsContact C-N 3.34Å; S71-A73 PolarHBondContact O-N 3.04Å; S71-T74 PolarHBondContact O-N 2.87Å; S71-V75 WeakPolarHBondContact O-CG2 3.36Å; S71-V75 PolarHBondContact O-N 3.42Å
72Y98.4Very high97.4Very high123 Ų12345.3 Ų45.348%0.48224%0.235SC..Hα-helixtrans-62.9-39.3173.8-82.9-83.7000112.2T45 L68 T74 V75 Y76T45-Y72 VanDerWaalsContact OG1-CE2 3.31Å; T45-Y72 WeakPolarHBondContact OG1-CE2 3.45Å; T45-Y72 PolarHBondContact OG1-OH 3.28Å; L68-Y72 HydrophobicContact CD2-CD2 4.47Å; L68-Y72 HydrophobicContact CD2-CE2 4.01Å; L68-Y72 VanDerWaalsContact O-CD2 3.3Å; L68-Y72 WeakPolarHBondContact O-CD2 3.39Å; L68-Y72 PolarHBondContact O-N 2.78Å; Y72-T74 PolarHBondContact O-N 3.42Å; Y72-V75 PolarHBondContact O-N 2.94Å; Y72-Y76 WeakPolarHBondContact O-CB 3.38Å; Y72-Y76 PolarHBondContact O-N 3.28Å
73A98.3Very high97.4Very high35 Ų3549.7 Ų49.729%0.28925%0.248SC..Hα-helixtrans-61.4-43.7173.800000111.5L20 A69 S71 V75 Y76 L77L20-A73 HydrophobicContact CD1-CB 3.97Å; A69-A73 WeakPolarHBondContact O-CB 3.42Å; A69-A73 PolarHBondContact O-N 2.9Å; S71-A73 VanDerWaalsContact C-N 3.34Å; S71-A73 PolarHBondContact O-N 3.04Å; A73-V75 PolarHBondContact O-N 2.93Å; A73-Y76 WeakPolarHBondContact O-CB 3.43Å; A73-Y76 PolarHBondContact O-N 3.29Å; A73-L77 VanDerWaalsContact O-CG 3.29Å; A73-L77 WeakPolarHBondContact O-CG 3.32Å; A73-L77 PolarHBondContact O-N 3.35Å
74T98Very high97.6Very high2 Ų253.9 Ų53.91%0.01229%0.286CS..Hα-helixtrans-61.5-45.8177.5-57.30000111.1L19 L20 I23 Q37 C70 S71 Y72 Y76 L77 I78L19-T74 HydrophobicContact CD2-CG2 3.96Å; L19-T74 HydrophobicContact CG-CG2 4.31Å; L20-T74 WeakPolarHBondContact CD1-OG1 3.34Å; I23-T74 HydrophobicContact CD1-CG2 3.98Å; Q37-T74 HydrophobicContact CB-CG2 4.38Å; Q37-T74 HydrophobicContact CG-CG2 3.9Å; C70-T74 WeakPolarHBondContact O-CB 3.18Å; C70-T74 PolarHBondContact O-N 2.92Å; C70-T74 PolarHBondContact O-OG1 3.4Å; S71-T74 PolarHBondContact O-N 2.87Å; Y72-T74 PolarHBondContact O-N 3.42Å; T74-Y76 PolarHBondContact O-N 3.46Å; T74-L77 PolarHBondContact O-N 3.02Å; T74-I78 HydrophobicContact CG2-CD1 4Å; T74-I78 WeakPolarHBondContact O-CG1 3.39Å; T74-I78 PolarHBondContact O-N 2.99Å
75V98.5Very high97.5Very high22 Ų2255.6 Ų55.613%0.13330%0.298CS..Hα-helixtrans-59.3-45.5174.6171.20000111.2Q37 L38 A41 S71 Y72 A73 L77 I78 Y79Q37-V75 HydrophobicContact CB-CG2 4.08Å; L38-V75 HydrophobicContact CD2-CG1 3.6Å; L38-V75 HydrophobicContact CD2-CG2 4.16Å; L38-V75 HydrophobicContact CG-CG1 4.44Å; A41-V75 HydrophobicContact CB-CG2 4.08Å; S71-V75 WeakPolarHBondContact O-CG2 3.36Å; S71-V75 PolarHBondContact O-N 3.42Å; Y72-V75 PolarHBondContact O-N 2.94Å; A73-V75 PolarHBondContact O-N 2.93Å; V75-L77 VanDerWaalsContact C-N 3.34Å; V75-L77 PolarHBondContact O-N 2.93Å; V75-I78 PolarHBondContact O-N 3.31Å; V75-Y79 HydrophobicContact CG1-CD2 3.99Å; V75-Y79 PolarHBondContact O-N 2.99Å
76Y98.5Very high97.5Very high119 Ų11954.1 Ų54.147%0.46728%0.284SS..Hα-helixtrans-59-43.1175.2166.5-93.8000112.1Y72 A73 T74 I78 L80 K81Y72-Y76 WeakPolarHBondContact O-CB 3.38Å; Y72-Y76 PolarHBondContact O-N 3.28Å; A73-Y76 WeakPolarHBondContact O-CB 3.43Å; A73-Y76 PolarHBondContact O-N 3.29Å; T74-Y76 PolarHBondContact O-N 3.46Å; Y76-I78 VanDerWaalsContact C-N 3.33Å; Y76-I78 PolarHBondContact O-N 3.09Å; Y76-L80 HydrophobicContact CD2-CB 4.07Å; Y76-L80 HydrophobicContact CD2-CD1 3.61Å; Y76-L80 HydrophobicContact CD2-CG 4.42Å; Y76-L80 HydrophobicContact CE2-CB 4.09Å; Y76-L80 HydrophobicContact CE2-CD1 3.98Å; Y76-L80 WeakPolarHBondContact O-CA 3.38Å; Y76-L80 WeakPolarHBondContact O-CB 3.43Å; Y76-L80 PolarHBondContact O-N 2.79Å; Y76-K81 HydrophobicContact CD1-CB 4.49Å; Y76-K81 HydrophobicContact CE1-CB 3.93Å; Y76-K81 HydrophobicContact CE1-CD 4.07Å; Y76-K81 PolarHBondContact O-N 2.97Å
77L98.2Very high97.3Very high7 Ų753.1 Ų53.14%0.03728%0.279CS..Iπ-helixtrans-63.9-38.6178.1-68.6-172.1000112L20 I23 W24 A73 T74 V75 K81 F82L20-L77 HydrophobicContact CD1-CD1 3.63Å; L20-L77 HydrophobicContact CD1-CG 4.46Å; I23-L77 HydrophobicContact CB-CD1 4.21Å; I23-L77 HydrophobicContact CG2-CB 3.79Å; I23-L77 HydrophobicContact CG2-CD1 3.86Å; I23-L77 HydrophobicContact CG2-CG 4.45Å; W24-L77 HydrophobicContact CE3-CD1 4.39Å; W24-L77 HydrophobicContact CE3-CD2 4.06Å; W24-L77 HydrophobicContact CZ3-CD2 4.25Å; A73-L77 VanDerWaalsContact O-CG 3.29Å; A73-L77 WeakPolarHBondContact O-CG 3.32Å; A73-L77 PolarHBondContact O-N 3.35Å; T74-L77 PolarHBondContact O-N 3.02Å; V75-L77 VanDerWaalsContact C-N 3.34Å; V75-L77 PolarHBondContact O-N 2.93Å; L77-K81 HydrophobicContact CD2-CB 4.03Å; L77-K81 HydrophobicContact CD2-CD 3.67Å; L77-K81 HydrophobicContact CD2-CG 4.33Å; L77-F82 HydrophobicContact CB-CD2 4.1Å; L77-F82 HydrophobicContact CB-CE2 4.44Å; L77-F82 HydrophobicContact CD1-CE2 4.4Å; L77-F82 HydrophobicContact CD2-CD2 4.2Å; L77-F82 HydrophobicContact CD2-CE2 3.81Å; L77-F82 HydrophobicContact CG-CE2 4.44Å; L77-F82 WeakPolarHBondContact O-CA 3.28Å; L77-F82 WeakPolarHBondContact O-CB 3.2Å; L77-F82 PolarHBondContact O-N 3.1Å
78I97.8Very high97.1Very high0 Ų054.4 Ų54.40%030%0.295CS..Iπ-helixtrans-74.6-52.9-178.5-65.7169.2000111.7I23 C29 I32 Q37 T74 V75 Y76 K83 Y86I23-I78 HydrophobicContact CD1-CD1 4.34Å; I23-I78 HydrophobicContact CD1-CG1 4.15Å; C29-I78 HydrophobicContact CB-CG1 3.88Å; I32-I78 HydrophobicContact CG2-CD1 3.87Å; Q37-I78 HydrophobicContact CB-CD1 4.07Å; Q37-I78 HydrophobicContact CG-CD1 3.59Å; T74-I78 HydrophobicContact CG2-CD1 4Å; T74-I78 WeakPolarHBondContact O-CG1 3.39Å; T74-I78 PolarHBondContact O-N 2.99Å; V75-I78 PolarHBondContact O-N 3.31Å; Y76-I78 VanDerWaalsContact C-N 3.33Å; Y76-I78 PolarHBondContact O-N 3.09Å; I78-K83 WeakPolarHBondContact O-CA 3.29Å; I78-K83 PolarHBondContact O-N 3.41Å; I78-Y86 HydrophobicContact CG2-CD2 3.61Å; I78-Y86 HydrophobicContact CG2-CE2 4.09Å; I78-Y86 HydrophobicContact CG2-CG 4.04Å
79Y97.9Very high96.9Very high64 Ų6459.5 Ų59.525%0.25132%0.322SS..Iπ-helixtrans-89.2-18-169.4-74.1-76.9000114.4G34 K35 L38 V75 Y86G34-Y79 WeakPolarHBondContact CA-OH 3.38Å; G34-Y79 PolarHBondContact O-OH 3.37Å; K35-Y79 PolarHBondContact N-OH 3.48Å; L38-Y79 HydrophobicContact CD1-CE2 3.62Å; L38-Y79 WeakPolarHBondContact CD1-OH 3.27Å; L38-Y79 HydrophobicContact CD2-CE2 4.34Å; L38-Y79 HydrophobicContact CG-CE2 3.74Å; V75-Y79 HydrophobicContact CG1-CD2 3.99Å; V75-Y79 PolarHBondContact O-N 2.99Å; Y79-Y86 AromaticContact CE1-CE1 3.99Å; Y79-Y86 HydrophobicContact CE1-CE1 3.99Å
80L97.6Very high96.7Very high121 Ų12160.1 Ų60.163%0.63432%0.315SS*.Iπ-helixtrans-119-66.5-178.5-62.7172000111.7Y76Y76-L80 HydrophobicContact CD2-CB 4.07Å; Y76-L80 HydrophobicContact CD2-CD1 3.61Å; Y76-L80 HydrophobicContact CD2-CG 4.42Å; Y76-L80 HydrophobicContact CE2-CB 4.09Å; Y76-L80 HydrophobicContact CE2-CD1 3.98Å; Y76-L80 WeakPolarHBondContact O-CA 3.38Å; Y76-L80 WeakPolarHBondContact O-CB 3.43Å; Y76-L80 PolarHBondContact O-N 2.79Å
81K97.3Very high96.6Very high87 Ų8759.2 Ų59.238%0.37831%0.309SS..Iπ-helixtrans-68.8-45-167.9-171.3165.5-173.3156.10114.2W24 Y76 L77W24-K81 HydrophobicContact CZ3-CD 4.22Å; W24-K81 VanDerWaalsContact CZ3-NZ 3.29Å; Y76-K81 HydrophobicContact CD1-CB 4.49Å; Y76-K81 HydrophobicContact CE1-CB 3.93Å; Y76-K81 HydrophobicContact CE1-CD 4.07Å; Y76-K81 PolarHBondContact O-N 2.97Å; L77-K81 HydrophobicContact CD2-CB 4.03Å; L77-K81 HydrophobicContact CD2-CD 3.67Å; L77-K81 HydrophobicContact CD2-CG 4.33Å
82F97.2Very high96.5Very high21 Ų2161.6 Ų61.69%0.09232%0.323CS..THydrogen-bonded Turntrans-115.227.3-178.6-54.5-61.2000112.2I23 R27 C29 L77 A84 T85I23-F82 HydrophobicContact CG2-CD2 3.57Å; I23-F82 HydrophobicContact CG2-CE2 3.99Å; R27-F82 HydrophobicContact CB-CD1 4.2Å; R27-F82 HydrophobicContact CB-CE1 3.67Å; R27-F82 HydrophobicContact CB-CZ 4.18Å; R27-F82 HydrophobicContact CG-CE1 4.36Å; R27-F82 WeakPolarHBondContact O-CD1 3.34Å; C29-F82 PolarHBondContact SG-O 3.44Å; C29-F82 VanDerWaalsContact SG-O 3.38Å; L77-F82 HydrophobicContact CB-CD2 4.1Å; L77-F82 HydrophobicContact CB-CE2 4.44Å; L77-F82 HydrophobicContact CD1-CE2 4.4Å; L77-F82 HydrophobicContact CD2-CD2 4.2Å; L77-F82 HydrophobicContact CD2-CE2 3.81Å; L77-F82 HydrophobicContact CG-CE2 4.44Å; L77-F82 WeakPolarHBondContact O-CA 3.28Å; L77-F82 WeakPolarHBondContact O-CB 3.2Å; L77-F82 PolarHBondContact O-N 3.1Å; F82-A84 PolarHBondContact O-N 3.2Å; F82-T85 PolarHBondContact O-N 2.97Å; F82-T85 PolarHBondContact O-OG1 3.38Å
83K96.2Very high96.4Very high141 Ų14157.7 Ų57.761%0.61331%0.309SS*.G310 helixtrans-49.3-34.1179.6-176.7-175.4175.6-178.10113.4I78 T85 Y86I78-K83 WeakPolarHBondContact O-CA 3.29Å; I78-K83 PolarHBondContact O-N 3.41Å; K83-T85 PolarHBondContact O-N 3.38Å; K83-Y86 WeakPolarHBondContact O-CB 3.37Å; K83-Y86 PolarHBondContact O-N 3.38Å; K83-Y86 VanDerWaalsContact O-N 3.15Å
84A96.8Very high96.3Very high107 Ų10763.2 Ų63.288%0.88432%0.322SS*.G310 helixtrans-61.9-22.4178.900000114F82F82-A84 PolarHBondContact O-N 3.2Å
85T95.7Very high96.3Very high48 Ų4864.5 Ų64.529%0.29433%0.33SS..G310 helixtrans-101.9-0.9179.363.40000113.3S28 C29 A30 F82 K83S28-T85 WeakPolarHBondContact CA-OG1 3.13Å; C29-T85 PolarHBondContact N-OG1 3.46Å; C29-T85 PolarHBondContact SG-OG1 3.12Å; A30-T85 WeakPolarHBondContact CA-O 3.22Å; A30-T85 PolarHBondContact N-O 3.05Å; F82-T85 PolarHBondContact O-N 2.97Å; F82-T85 PolarHBondContact O-OG1 3.38Å; K83-T85 PolarHBondContact O-N 3.38Å
86Y96.3Very high96.2Very high47 Ų4768.3 Ų68.318%0.18435%0.346CS..  trans-78.9123.6-179.8170.7-116.8000110.6I78 Y79 K83 G88 D91I78-Y86 HydrophobicContact CG2-CD2 3.61Å; I78-Y86 HydrophobicContact CG2-CE2 4.09Å; I78-Y86 HydrophobicContact CG2-CG 4.04Å; Y79-Y86 AromaticContact CE1-CE1 3.99Å; Y79-Y86 HydrophobicContact CE1-CE1 3.99Å; K83-Y86 WeakPolarHBondContact O-CB 3.37Å; K83-Y86 PolarHBondContact O-N 3.38Å; K83-Y86 VanDerWaalsContact O-N 3.15Å; Y86-G88 PolarHBondContact O-N 3.23Å; Y86-G88 VanDerWaalsContact O-N 3.17Å; Y86-D91 HydrophobicContact CE2-CB 4.17Å; Y86-D91 WeakPolarHBondContact OH-CB 3.11Å; Y86-D91 PolarHBondContact OH-OD2 2.9Å
87D92.6Very high96.2Very high45 Ų4568.5 Ų68.524%0.24135%0.35CS..  trans-9174.8-177.4-171.6-4.3000111.8N89 H90 D91 M137D87-N89 PolarHBondContact O-N 3.47Å; D87-N89 PolarHBondContact OD1-N 2.64Å; D87-H90 PolarHBondContact O-N 3.38Å; D87-H90 IonicContact OD1-CG 3.46Å; D87-H90 PolarHBondContact OD1-N 3.1Å; D87-H90 IonicContact OD1-ND1 2.7Å; D87-H90 PolarHBondContact OD1-ND1 3.25Å; D87-H90 IonicContact OD2-CE1 2.7Å; D87-H90 IonicContact OD2-CG 2.98Å; D87-H90 IonicContact OD2-ND1 3.64Å; D87-H90 PolarHBondContact OD2-ND1 3.16Å; D87-D91 PolarHBondContact O-N 2.97Å; D87-D91 VanDerWaalsContact O-N 3.12Å; D87-M137 HydrophobicContact CB-CE 3.78Å
88G92.9Very high96.1Very high35 Ų3569 Ų6936%0.36135%0.352SS..THydrogen-bonded Turntrans-64.3-19.2177.300000114.3Y86Y86-G88 PolarHBondContact O-N 3.23Å; Y86-G88 VanDerWaalsContact O-N 3.17Å
89N92.8Very high96.1Very high142 Ų14271.2 Ų71.276%0.75937%0.366SS*.THydrogen-bonded Turntrans-75.2-27179.2-69.7-25.6000112.2D87 T92D87-N89 PolarHBondContact O-N 3.47Å; D87-N89 PolarHBondContact OD1-N 2.64Å; N89-T92 WeakPolarHBondContact O-CG2 3.33Å
90H93Very high96.1Very high72 Ų7273.2 Ų73.233%0.33338%0.384SS..THydrogen-bonded Turntrans-99.1-24174.4-64.593.8000113.3D87 T92 M137 T141D87-H90 PolarHBondContact O-N 3.38Å; D87-H90 IonicContact OD1-CG 3.46Å; D87-H90 PolarHBondContact OD1-N 3.1Å; D87-H90 IonicContact OD1-ND1 2.7Å; D87-H90 PolarHBondContact OD1-ND1 3.25Å; D87-H90 IonicContact OD2-CE1 2.7Å; D87-H90 IonicContact OD2-CG 2.98Å; D87-H90 IonicContact OD2-ND1 3.64Å; D87-H90 PolarHBondContact OD2-ND1 3.16Å; H90-T92 PolarHBondContact O-N 3.41Å; H90-M137 HydrophobicContact CB-CE 4.3Å; H90-M137 HydrophobicContact CB-CG 4.17Å; H90-T141 HydrophobicContact CB-CG2 3.83Å
91D95.8Very high96.1Very high2 Ų271.2 Ų71.21%0.01138%0.378CS..  trans-78.757.1173.5-163.415.1000112.4S33 G34 K35 Y86 D87 M137S33-D91 WeakPolarHBondContact CA-OD2 3.44Å; S33-D91 WeakPolarHBondContact CB-OD1 3.41Å; S33-D91 VanDerWaalsContact OG-CG 3.24Å; S33-D91 PolarHBondContact OG-OD1 2.85Å; S33-D91 PolarHBondContact OG-OD2 3.23Å; G34-D91 PolarHBondContact N-OD2 3.46Å; K35-D91 WeakPolarHBondContact CD-O 3.46Å; K35-D91 VanDerWaalsContact CE-O 3.28Å; K35-D91 WeakPolarHBondContact CE-O 3.48Å; K35-D91 PolarHBondContact N-OD2 3.48Å; K35-D91 PolarHBondContact NZ-O 2.99Å; Y86-D91 HydrophobicContact CE2-CB 4.17Å; Y86-D91 WeakPolarHBondContact OH-CB 3.11Å; Y86-D91 PolarHBondContact OH-OD2 2.9Å; D87-D91 PolarHBondContact O-N 2.97Å; D87-D91 VanDerWaalsContact O-N 3.12Å; D91-M137 HydrophobicContact CB-SD 4.29Å
92T96.2Very high96.1Very high54 Ų5467.7 Ų67.733%0.33136%0.364SS..  trans-96.37.8-171.277.20000114.3N89 H90 R94 K140N89-T92 WeakPolarHBondContact O-CG2 3.33Å; H90-T92 PolarHBondContact O-N 3.41Å; T92-R94 PolarHBondContact O-N 2.93Å; T92-K140 PolarHBondContact OG1-NZ 2.94Å
93F96.7Very high96.1Very high40 Ų4067.5 Ų67.518%0.17537%0.368CS..  trans-62.2133-179.9-167.1-79.8000110.2K35 V95 L98 L132 P133 F136K35-F93 VanDerWaalsContact CD-O 3.26Å; K35-F93 WeakPolarHBondContact CD-O 3.33Å; K35-F93 WeakPolarHBondContact CE-O 2.96Å; K35-F93 PolarHBondContact NZ-O 3.48Å; F93-V95 HydrophobicContact CD1-CG1 4.39Å; F93-V95 PolarHBondContact O-N 3.49Å; F93-L98 HydrophobicContact CD1-CD1 4.28Å; F93-L98 HydrophobicContact CE1-CD1 3.57Å; F93-L98 HydrophobicContact CE1-CD2 4.07Å; F93-L98 HydrophobicContact CE1-CG 3.7Å; F93-L98 HydrophobicContact CZ-CD1 4.18Å; F93-L98 HydrophobicContact CZ-CD2 4.15Å; F93-L98 HydrophobicContact CZ-CG 4.29Å; F93-L132 HydrophobicContact CE2-CB 4.13Å; F93-L132 HydrophobicContact CZ-CB 4.07Å; F93-L132 HydrophobicContact CZ-CD1 4.33Å; F93-P133 HydrophobicContact CB-CB 3.78Å; F93-P133 HydrophobicContact CB-CG 4.17Å; F93-P133 HydrophobicContact CD1-CB 4.43Å; F93-P133 HydrophobicContact CD1-CG 3.89Å; F93-P133 HydrophobicContact CG-CB 4.15Å; F93-P133 HydrophobicContact CG-CG 4.08Å; F93-F136 HydrophobicContact CB-CD1 4.07Å; F93-F136 HydrophobicContact CB-CG 4.49Å; F93-F136 HydrophobicContact CD2-CB 3.73Å; F93-F136 HydrophobicContact CD2-CD1 4.09Å; F93-F136 HydrophobicContact CD2-CD2 4.14Å; F93-F136 AromaticContact CD2-CG 3.74Å; F93-F136 HydrophobicContact CD2-CG 3.74Å
94R97.1Very high96.2Very high152 Ų15262.4 Ų62.457%0.57436%0.355SS*.  trans-85.693.6-179.2-73-175.764.9-169.81.7109.9T92 E96 F97T92-R94 PolarHBondContact O-N 2.93Å; R94-E96 VanDerWaalsContact CA-OE2 3.3Å; R94-E96 WeakPolarHBondContact CA-OE2 3.41Å; R94-E96 WeakPolarHBondContact CB-OE2 3.41Å; R94-E96 PolarHBondContact O-N 2.98Å; R94-F97 HydrophobicContact CB-CD2 3.55Å; R94-F97 HydrophobicContact CB-CE2 3.82Å; R94-F97 HydrophobicContact CG-CE2 4.43Å; R94-F97 PolarHBondContact O-N 3.48Å
95V97.3Very high96.2Very high29 Ų2961 Ų6118%0.17633%0.332CS..THydrogen-bonded Turntrans-66.9-17-174.4-67.60000113.3K35 L39 F93 F97 L98 V99 P133K35-V95 HydrophobicContact CB-CG1 3.84Å; K35-V95 HydrophobicContact CD-CG1 4.04Å; K35-V95 HydrophobicContact CG-CG1 4.11Å; L39-V95 HydrophobicContact CD1-CG1 4.1Å; L39-V95 HydrophobicContact CD2-CB 4.45Å; L39-V95 HydrophobicContact CG-CG1 4.45Å; F93-V95 HydrophobicContact CD1-CG1 4.39Å; F93-V95 PolarHBondContact O-N 3.49Å; V95-F97 PolarHBondContact O-N 3.27Å; V95-L98 WeakPolarHBondContact O-CB 3.3Å; V95-L98 PolarHBondContact O-N 3.07Å; V95-V99 PolarHBondContact O-N 2.91Å; V95-P133 HydrophobicContact CG1-CG 3.97Å
96E96.9Very high96.3Very high102 Ų10258.8 Ų58.848%0.47732%0.319SS..Hα-helixtrans-59.8-35.3175.9-53.579.9-174.400111R94 L98 V100R94-E96 VanDerWaalsContact CA-OE2 3.3Å; R94-E96 WeakPolarHBondContact CA-OE2 3.41Å; R94-E96 WeakPolarHBondContact CB-OE2 3.41Å; R94-E96 PolarHBondContact O-N 2.98Å; E96-L98 PolarHBondContact O-N 3.17Å; E96-V100 WeakPolarHBondContact O-CB 3.42Å; E96-V100 WeakPolarHBondContact O-CG2 3.43Å; E96-V100 PolarHBondContact O-N 2.86Å
97F97.1Very high96.3Very high123 Ų12362.1 Ų62.154%0.53934%0.335SS..Hα-helixtrans-72.4-6.9175.2-64.3-63.4000114.1R94 V95 P101R94-F97 HydrophobicContact CB-CD2 3.55Å; R94-F97 HydrophobicContact CB-CE2 3.82Å; R94-F97 HydrophobicContact CG-CE2 4.43Å; R94-F97 PolarHBondContact O-N 3.48Å; V95-F97 PolarHBondContact O-N 3.27Å; F97-P101 WeakPolarHBondContact O-CD 3.16Å; F97-P101 VanDerWaalsContact O-CG 3.3Å; F97-P101 WeakPolarHBondContact O-CG 3.29Å
98L97.5Very high96.5Very high17 Ų1767 Ų679%0.08936%0.36CS..Hα-helixtrans-99.2-54169.1-55.1-179.6000109.7L39 F93 V95 E96 V100 P101 V102 V129 L132L39-L98 HydrophobicContact CD1-CD1 3.93Å; F93-L98 HydrophobicContact CD1-CD1 4.28Å; F93-L98 HydrophobicContact CE1-CD1 3.57Å; F93-L98 HydrophobicContact CE1-CD2 4.07Å; F93-L98 HydrophobicContact CE1-CG 3.7Å; F93-L98 HydrophobicContact CZ-CD1 4.18Å; F93-L98 HydrophobicContact CZ-CD2 4.15Å; F93-L98 HydrophobicContact CZ-CG 4.29Å; V95-L98 WeakPolarHBondContact O-CB 3.3Å; V95-L98 PolarHBondContact O-N 3.07Å; E96-L98 PolarHBondContact O-N 3.17Å; L98-V100 PolarHBondContact O-N 3.43Å; L98-P101 WeakPolarHBondContact O-CD 3.43Å; L98-V102 WeakPolarHBondContact O-CB 3.46Å; L98-V102 WeakPolarHBondContact O-CG2 3.12Å; L98-V102 PolarHBondContact O-N 3.44Å; L98-V129 HydrophobicContact CB-CG2 4.19Å; L98-V129 HydrophobicContact CD1-CB 4.44Å; L98-V129 HydrophobicContact CD1-CG2 4.32Å; L98-V129 HydrophobicContact CD2-CB 4.22Å; L98-V129 HydrophobicContact CD2-CG2 4.22Å; L98-V129 HydrophobicContact CG-CG2 4.46Å; L98-L132 HydrophobicContact CD1-CB 4.27Å; L98-L132 HydrophobicContact CD1-CD1 4.27Å; L98-L132 HydrophobicContact CD2-CD1 3.74Å
99V97.5Very high96.7Very high46 Ų4668.6 Ų68.628%0.27936%0.363SS..Hα-helixtrans-64.4-41.9-172.3178.30000111.9L39 V95 G103 F122 L126L39-V99 HydrophobicContact CD2-CG2 3.76Å; V95-V99 PolarHBondContact O-N 2.91Å; V99-G103 WeakPolarHBondContact O-CA 3.35Å; V99-G103 PolarHBondContact O-N 3.3Å; V99-F122 HydrophobicContact CG1-CE2 4.46Å; V99-F122 HydrophobicContact CG1-CZ 4.33Å; V99-L126 HydrophobicContact CG2-CD1 4.31Å
100V97.5Very high96.9Very high107 Ų10763.7 Ų63.765%0.64834%0.337SS*.Hα-helixtrans-69.5-51-177.8175.50000111.9E96 L98 G103 G104E96-V100 WeakPolarHBondContact O-CB 3.42Å; E96-V100 WeakPolarHBondContact O-CG2 3.43Å; E96-V100 PolarHBondContact O-N 2.86Å; L98-V100 PolarHBondContact O-N 3.43Å; V100-G103 PolarHBondContact O-N 3.48Å; V100-G104 PolarHBondContact O-N 2.91Å
101P97.8Very high96.9Very high78 Ų7865 Ų6551%0.50634%0.343SS..Hα-helixtrans-64.7-39.4176.9-25.638.3000113.3F97 L98 G103 G104 L105F97-P101 WeakPolarHBondContact O-CD 3.16Å; F97-P101 VanDerWaalsContact O-CG 3.3Å; F97-P101 WeakPolarHBondContact O-CG 3.29Å; L98-P101 WeakPolarHBondContact O-CD 3.43Å; P101-G103 VanDerWaalsContact C-N 3.34Å; P101-G104 PolarHBondContact O-N 3.43Å; P101-L105 VanDerWaalsContact O-CB 3.29Å; P101-L105 WeakPolarHBondContact O-CB 3.36Å; P101-L105 PolarHBondContact O-N 3.19Å
102V97.7Very high96.9Very high14 Ų1469.3 Ų69.39%0.08537%0.366CS..Hα-helixtrans-65-40.3175.9167.80000111.2L98 L105 S106 F122 L126 V129L98-V102 WeakPolarHBondContact O-CB 3.46Å; L98-V102 WeakPolarHBondContact O-CG2 3.12Å; L98-V102 PolarHBondContact O-N 3.44Å; V102-L105 PolarHBondContact O-N 3.49Å; V102-S106 WeakPolarHBondContact O-CB 3.45Å; V102-S106 PolarHBondContact O-N 3.18Å; V102-S106 PolarHBondContact O-OG 3.35Å; V102-F122 HydrophobicContact CG1-CD2 3.73Å; V102-F122 HydrophobicContact CG1-CE2 3.9Å; V102-L126 HydrophobicContact CG1-CB 3.97Å; V102-V129 HydrophobicContact CG2-CG2 4.14Å
103G97.4Very high96.9Very high16 Ų1673.7 Ų73.717%0.16538%0.38CS..Hα-helixtrans-55.4-58.2171.100000110.9V99 V100 P101 L105 S106 F107V99-G103 WeakPolarHBondContact O-CA 3.35Å; V99-G103 PolarHBondContact O-N 3.3Å; V100-G103 PolarHBondContact O-N 3.48Å; P101-G103 VanDerWaalsContact C-N 3.34Å; G103-L105 VanDerWaalsContact C-N 3.34Å; G103-L105 PolarHBondContact O-N 3.38Å; G103-S106 PolarHBondContact O-N 2.86Å; G103-S106 VanDerWaalsContact O-N 3.16Å; G103-S106 PolarHBondContact O-OG 3.35Å; G103-F107 WeakPolarHBondContact O-CD2 3.34Å; G103-F107 PolarHBondContact O-N 2.99Å
104G97.4Very high96.8Very high34 Ų3473.5 Ų73.535%0.35138%0.384SS..Hα-helixtrans-55.5-45.9177.400000113.1V100 P101 S106 F107 L108V100-G104 PolarHBondContact O-N 2.91Å; P101-G104 PolarHBondContact O-N 3.43Å; G104-S106 VanDerWaalsContact C-N 3.32Å; G104-S106 PolarHBondContact O-N 3.06Å; G104-F107 PolarHBondContact O-N 3.35Å; G104-L108 WeakPolarHBondContact O-CG 3.45Å; G104-L108 PolarHBondContact O-N 3.3Å; G104-L108 VanDerWaalsContact O-N 3.16Å
105L97.4Very high96.7Very high77 Ų7771.2 Ų71.240%0.40339%0.389SS..Hα-helixtrans-61.3-38.8179.3-173.564.2000112.2P101 V102 G103 F107 L108 V109 Y125P101-L105 VanDerWaalsContact O-CB 3.29Å; P101-L105 WeakPolarHBondContact O-CB 3.36Å; P101-L105 PolarHBondContact O-N 3.19Å; V102-L105 PolarHBondContact O-N 3.49Å; G103-L105 VanDerWaalsContact C-N 3.34Å; G103-L105 PolarHBondContact O-N 3.38Å; L105-F107 VanDerWaalsContact C-N 3.27Å; L105-F107 PolarHBondContact O-N 2.92Å; L105-L108 PolarHBondContact O-N 3.43Å; L105-L108 VanDerWaalsContact O-N 3.16Å; L105-V109 HydrophobicContact CD1-CB 4.25Å; L105-V109 HydrophobicContact CD1-CG2 3.88Å; L105-V109 PolarHBondContact O-N 2.98Å; L105-Y125 HydrophobicContact CB-CD2 4.29Å; L105-Y125 HydrophobicContact CB-CE2 4.33Å; L105-Y125 HydrophobicContact CD2-CD1 4.47Å; L105-Y125 HydrophobicContact CD2-CD2 3.9Å; L105-Y125 HydrophobicContact CD2-CE1 4.43Å; L105-Y125 HydrophobicContact CD2-CE2 3.85Å; L105-Y125 HydrophobicContact CD2-CG 4.22Å; L105-Y125 HydrophobicContact CG-CD2 3.97Å; L105-Y125 HydrophobicContact CG-CE2 3.65Å
106S97.4Very high96.6Very high2 Ų274 Ų741%0.01440%0.403CS..Hα-helixtrans-64.8-28.2177.869.60000113.9V102 G103 G104 N110V102-S106 WeakPolarHBondContact O-CB 3.45Å; V102-S106 PolarHBondContact O-N 3.18Å; V102-S106 PolarHBondContact O-OG 3.35Å; G103-S106 PolarHBondContact O-N 2.86Å; G103-S106 VanDerWaalsContact O-N 3.16Å; G103-S106 PolarHBondContact O-OG 3.35Å; G104-S106 VanDerWaalsContact C-N 3.32Å; G104-S106 PolarHBondContact O-N 3.06Å; S106-N110 PolarHBondContact O-ND2 2.81Å
107F97Very high96.5Very high117 Ų11771.5 Ų71.551%0.51339%0.391SS..Hα-helixtrans-79.4-31.3173.1-82.1-92.5000112.6G103 G104 L105 N110 F113 I118G103-F107 WeakPolarHBondContact O-CD2 3.34Å; G103-F107 PolarHBondContact O-N 2.99Å; G104-F107 PolarHBondContact O-N 3.35Å; L105-F107 VanDerWaalsContact C-N 3.27Å; L105-F107 PolarHBondContact O-N 2.92Å; F107-N110 PolarHBondContact O-ND2 3.22Å; F107-N110 VanDerWaalsContact O-ND2 3.14Å; F107-F113 HydrophobicContact CD1-CE2 4.1Å; F107-F113 HydrophobicContact CD1-CZ 4.13Å; F107-F113 WeakPolarHBondContact O-CE2 3.48Å; F107-I118 HydrophobicContact CD1-CD1 3.96Å; F107-I118 HydrophobicContact CD1-CG2 4.3Å; F107-I118 HydrophobicContact CD2-CG2 3.99Å; F107-I118 HydrophobicContact CE1-CD1 4Å; F107-I118 HydrophobicContact CE1-CG2 4.21Å; F107-I118 HydrophobicContact CE2-CG2 3.9Å; F107-I118 HydrophobicContact CG-CG2 4.2Å; F107-I118 HydrophobicContact CZ-CG2 4.01Å
108L96.9Very high96.5Very high147 Ų14766.2 Ų66.277%0.7737%0.368SS*.Hα-helixtrans-86.1-35-176.7-65174000113.3G104 L105G104-L108 WeakPolarHBondContact O-CG 3.45Å; G104-L108 PolarHBondContact O-N 3.3Å; G104-L108 VanDerWaalsContact O-N 3.16Å; L105-L108 PolarHBondContact O-N 3.43Å; L105-L108 VanDerWaalsContact O-N 3.16Å
109V96.8Very high96.5Very high70 Ų7068.3 Ų68.342%0.42438%0.379SS..SBendtrans-13198.2-175-174.40000108.5L105 T121 Y125L105-V109 HydrophobicContact CD1-CB 4.25Å; L105-V109 HydrophobicContact CD1-CG2 3.88Å; L105-V109 PolarHBondContact O-N 2.98Å; V109-T121 VanDerWaalsContact O-CG2 3.32Å; V109-T121 WeakPolarHBondContact O-CG2 3.26Å; V109-Y125 WeakPolarHBondContact CG1-OH 2.89Å; V109-Y125 PolarHBondContact O-OH 3.16Å
110N95.8Very high96.5Very high38 Ų3869.2 Ų69.220%0.20338%0.378CS..  trans-144.2169.3176.749.970.8000109.3S106 F107 D112 T121S106-N110 PolarHBondContact O-ND2 2.81Å; F107-N110 PolarHBondContact O-ND2 3.22Å; F107-N110 VanDerWaalsContact O-ND2 3.14Å; N110-D112 PolarHBondContact OD1-O 2.91Å; N110-D112 VanDerWaalsContact OD1-O 3.07Å; N110-T121 HydrophobicContact CB-CG2 4.22Å
111H94Very high96.5Very high101 Ų10164.1 Ų64.147%0.46835%0.347SS..SBendtrans-78.7-32.4176.3-65.8-57.2000112.8E117 W120 D177H111-E117 HydrophobicContact CB-CG 4.38Å; H111-E117 IonicContact CD2-OE1 3.95Å; H111-E117 PolarHBondContact CD2-OE1 2.88Å; H111-E117 IonicContact CG-OE1 2.87Å; H111-W120 AromaticContact CD2-CZ3 3.85Å; H111-D177 IonicContact CE1-OD1 3.39Å; H111-D177 PolarHBondContact CE1-OD1 3.16Å; H111-D177 IonicContact NE2-OD1 2.74Å; H111-D177 PolarHBondContact NE2-OD1 2.88Å; H111-D177 IonicContact NE2-OD2 3.47Å
112D95.2Very high96.5Very high92 Ų9261.4 Ų61.449%0.49233%0.327SS..SBendtrans-150.2143178.7177.948.1000110.5N110 S114 E117N110-D112 PolarHBondContact OD1-O 2.91Å; N110-D112 VanDerWaalsContact OD1-O 3.07Å; D112-S114 PolarHBondContact O-N 2.98Å; D112-S114 VanDerWaalsContact OD2-CB 3.25Å; D112-S114 WeakPolarHBondContact OD2-CB 3.45Å; D112-S114 PolarHBondContact OD2-OG 2.94Å; D112-E117 HydrophobicContact CB-CB 4.38Å; D112-E117 HydrophobicContact CB-CG 4.08Å; D112-E117 WeakPolarHBondContact O-CB 3.49Å; D112-E117 WeakPolarHBondContact O-CG 3.37Å
113F95.8Very high96.6Very high145 Ų14560.8 Ų60.864%0.63632%0.323SS*.  trans-86.755.1-176.9-159.7-100.1000111.5F107 I118F107-F113 HydrophobicContact CD1-CE2 4.1Å; F107-F113 HydrophobicContact CD1-CZ 4.13Å; F107-F113 WeakPolarHBondContact O-CE2 3.48Å; F113-I118 HydrophobicContact CD2-CD1 3.89Å; F113-I118 HydrophobicContact CE2-CD1 3.86Å; F113-I118 HydrophobicContact CG-CD1 4.28Å; F113-I118 HydrophobicContact CZ-CD1 4.23Å
114S95.4Very high96.6Very high37 Ų3760.6 Ų60.626%0.25932%0.318SS..SBendtrans-114.1150174.360.30000111.2D112 L116 E117 I118D112-S114 PolarHBondContact O-N 2.98Å; D112-S114 VanDerWaalsContact OD2-CB 3.25Å; D112-S114 WeakPolarHBondContact OD2-CB 3.45Å; D112-S114 PolarHBondContact OD2-OG 2.94Å; S114-L116 VanDerWaalsContact C-N 3.29Å; S114-L116 PolarHBondContact O-N 3.31Å; S114-E117 PolarHBondContact O-N 3.28Å; S114-E117 VanDerWaalsContact O-N 3.13Å; S114-E117 WeakPolarHBondContact OG-CB 3.3Å; S114-I118 WeakPolarHBondContact O-CG1 3.24Å; S114-I118 PolarHBondContact O-N 3.12Å
115P94.9Very high96.6Very high103 Ų10360.1 Ų60.167%0.66931%0.306SS*.Hα-helixtrans-56.5-39.3-174.5-28.435.4000114.3L119P115-L119 WeakPolarHBondContact O-CB 3.38Å; P115-L119 WeakPolarHBondContact O-CD1 3.46Å; P115-L119 VanDerWaalsContact O-CG 3.23Å; P115-L119 WeakPolarHBondContact O-CG 3.32Å; P115-L119 PolarHBondContact O-N 2.96Å; P115-L119 VanDerWaalsContact O-N 3.12Å
116L94.8Very high96.7Very high89 Ų8956.4 Ų56.447%0.46629%0.287SS..Hα-helixtrans-69.2-40.3178.8-72.6174.8000111.9L49 S114 L119 W120L49-L116 HydrophobicContact CB-CD2 4.04Å; S114-L116 VanDerWaalsContact C-N 3.29Å; S114-L116 PolarHBondContact O-N 3.31Å; L116-L119 PolarHBondContact O-N 2.95Å; L116-W120 WeakPolarHBondContact O-CB 3.42Å; L116-W120 PolarHBondContact O-N 3.24Å
117E95.2Very high96.7Very high48 Ų4856.4 Ų56.422%0.22429%0.286CS..Hα-helixtrans-71.4-37.3-179.7-169.962.1-158.400111.9H111 D112 S114 W120 T121H111-E117 HydrophobicContact CB-CG 4.38Å; H111-E117 IonicContact CD2-OE1 3.95Å; H111-E117 PolarHBondContact CD2-OE1 2.88Å; H111-E117 IonicContact CG-OE1 2.87Å; D112-E117 HydrophobicContact CB-CB 4.38Å; D112-E117 HydrophobicContact CB-CG 4.08Å; D112-E117 WeakPolarHBondContact O-CB 3.49Å; D112-E117 WeakPolarHBondContact O-CG 3.37Å; S114-E117 PolarHBondContact O-N 3.28Å; S114-E117 VanDerWaalsContact O-N 3.13Å; S114-E117 WeakPolarHBondContact OG-CB 3.3Å; E117-W120 PolarHBondContact O-N 3.5Å; E117-T121 VanDerWaalsContact O-CB 3.28Å; E117-T121 WeakPolarHBondContact O-CB 3.21Å; E117-T121 PolarHBondContact O-N 3.15Å; E117-T121 PolarHBondContact O-OG1 3.23Å
118I97.2Very high96.7Very high13 Ų1351.2 Ų51.27%0.06727%0.265CS..Hα-helixtrans-62.7-44.1172.7-66.6169.1000110.4F107 F113 S114 T121 F122F107-I118 HydrophobicContact CD1-CD1 3.96Å; F107-I118 HydrophobicContact CD1-CG2 4.3Å; F107-I118 HydrophobicContact CD2-CG2 3.99Å; F107-I118 HydrophobicContact CE1-CD1 4Å; F107-I118 HydrophobicContact CE1-CG2 4.21Å; F107-I118 HydrophobicContact CE2-CG2 3.9Å; F107-I118 HydrophobicContact CG-CG2 4.2Å; F107-I118 HydrophobicContact CZ-CG2 4.01Å; F113-I118 HydrophobicContact CD2-CD1 3.89Å; F113-I118 HydrophobicContact CE2-CD1 3.86Å; F113-I118 HydrophobicContact CG-CD1 4.28Å; F113-I118 HydrophobicContact CZ-CD1 4.23Å; S114-I118 WeakPolarHBondContact O-CG1 3.24Å; S114-I118 PolarHBondContact O-N 3.12Å; I118-T121 PolarHBondContact O-N 2.87Å; I118-F122 VanDerWaalsContact O-CB 3.3Å; I118-F122 WeakPolarHBondContact O-CB 3.3Å; I118-F122 PolarHBondContact O-N 3.08Å
119L97.3Very high96.7Very high61 Ų6145.3 Ų45.332%0.31923%0.234SC..Hα-helixtrans-67.6-37.3177.7-72.3168.2000112.4T46 L49 P115 L116 S123T46-L119 HydrophobicContact CG2-CD2 4.07Å; L49-L119 HydrophobicContact CD1-CB 4.32Å; L49-L119 HydrophobicContact CD1-CD1 3.43Å; L49-L119 VanDerWaalsContact CD1-CD1 3.43Å; L49-L119 HydrophobicContact CD1-CG 4.4Å; P115-L119 WeakPolarHBondContact O-CB 3.38Å; P115-L119 WeakPolarHBondContact O-CD1 3.46Å; P115-L119 VanDerWaalsContact O-CG 3.23Å; P115-L119 WeakPolarHBondContact O-CG 3.32Å; P115-L119 PolarHBondContact O-N 2.96Å; P115-L119 VanDerWaalsContact O-N 3.12Å; L116-L119 PolarHBondContact O-N 2.95Å; L119-S123 PolarHBondContact O-N 3.38Å
120W97.6Very high96.8Very high65 Ų6542 Ų4225%0.24621%0.214CC..Hα-helixtrans-62.7-48.4172177.989.2000110.9H111 L116 E117 F122 S123 I124 D177 I179H111-W120 AromaticContact CD2-CZ3 3.85Å; L116-W120 WeakPolarHBondContact O-CB 3.42Å; L116-W120 PolarHBondContact O-N 3.24Å; E117-W120 PolarHBondContact O-N 3.5Å; W120-F122 PolarHBondContact O-N 3.3Å; W120-S123 WeakPolarHBondContact O-CB 3.15Å; W120-S123 PolarHBondContact O-N 2.86Å; W120-S123 VanDerWaalsContact O-N 3.07Å; W120-S123 PolarHBondContact O-OG 3Å; W120-I124 HydrophobicContact CD2-CG1 4.12Å; W120-I124 HydrophobicContact CE3-CG1 4.27Å; W120-I124 HydrophobicContact CH2-CD1 4.32Å; W120-I124 HydrophobicContact CH2-CG1 3.88Å; W120-I124 HydrophobicContact CZ2-CD1 3.82Å; W120-I124 HydrophobicContact CZ2-CG1 3.73Å; W120-I124 HydrophobicContact CZ3-CG1 4.15Å; W120-I124 WeakPolarHBondContact O-CG1 3.31Å; W120-I124 PolarHBondContact O-N 3.45Å; W120-I124 VanDerWaalsContact O-N 3.09Å; W120-D177 VanDerWaalsContact CH2-OD2 3.27Å; W120-D177 WeakPolarHBondContact CH2-OD2 3.28Å; W120-I179 HydrophobicContact CZ3-CG2 4.46Å
121T97.6Very high96.8Very high0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-60.3-45.4178-60.50000111.4V109 N110 E117 I118 S123 I124 Y125 I179V109-T121 VanDerWaalsContact O-CG2 3.32Å; V109-T121 WeakPolarHBondContact O-CG2 3.26Å; N110-T121 HydrophobicContact CB-CG2 4.22Å; E117-T121 VanDerWaalsContact O-CB 3.28Å; E117-T121 WeakPolarHBondContact O-CB 3.21Å; E117-T121 PolarHBondContact O-N 3.15Å; E117-T121 PolarHBondContact O-OG1 3.23Å; I118-T121 PolarHBondContact O-N 2.87Å; T121-S123 VanDerWaalsContact C-N 3.28Å; T121-S123 PolarHBondContact O-N 3.35Å; T121-I124 WeakPolarHBondContact O-CB 2.74Å; T121-I124 PolarHBondContact O-N 3.3Å; T121-I124 VanDerWaalsContact O-N 3.09Å; T121-Y125 HydrophobicContact CG2-CD2 3.86Å; T121-Y125 HydrophobicContact CG2-CE2 3.35Å; T121-Y125 PolarHBondContact O-N 3.3Å; T121-I179 HydrophobicContact CG2-CD1 4.42Å; T121-I179 HydrophobicContact CG2-CG2 4.32Å
122F98.5Very high96.8Very high21 Ų2137.2 Ų37.29%0.09219%0.192CC..Hα-helixtrans-53.9-46172.4172-98.3000111.4L42 T46 V99 V102 I118 W120 I124 Y125 L126L42-F122 HydrophobicContact CD2-CE1 4.06Å; L42-F122 HydrophobicContact CD2-CZ 4.01Å; L42-F122 HydrophobicContact CG-CE1 4.06Å; T46-F122 HydrophobicContact CG2-CD1 3.93Å; T46-F122 HydrophobicContact CG2-CE1 4.03Å; V99-F122 HydrophobicContact CG1-CE2 4.46Å; V99-F122 HydrophobicContact CG1-CZ 4.33Å; V102-F122 HydrophobicContact CG1-CD2 3.73Å; V102-F122 HydrophobicContact CG1-CE2 3.9Å; I118-F122 VanDerWaalsContact O-CB 3.3Å; I118-F122 WeakPolarHBondContact O-CB 3.3Å; I118-F122 PolarHBondContact O-N 3.08Å; W120-F122 PolarHBondContact O-N 3.3Å; F122-I124 VanDerWaalsContact C-N 3.3Å; F122-I124 PolarHBondContact O-N 2.53Å; F122-Y125 PolarHBondContact O-N 2.9Å; F122-L126 HydrophobicContact CE1-CB 4.49Å; F122-L126 HydrophobicContact CE1-CD2 3.72Å; F122-L126 HydrophobicContact CZ-CB 4.49Å; F122-L126 HydrophobicContact CZ-CD2 3.71Å; F122-L126 WeakPolarHBondContact O-CB 3.46Å; F122-L126 PolarHBondContact O-N 2.9Å
123S98.2Very high96.9Very high0 Ų032.9 Ų32.90%017%0.169CC..Hα-helixtrans-62-37.3178.786.30000112.4T46 R47 L119 W120 T121 E127T46-S123 WeakPolarHBondContact OG1-CB 3.37Å; R47-S123 WeakPolarHBondContact CB-OG 3.3Å; R47-S123 PolarHBondContact NE-OG 2.89Å; R47-S123 VanDerWaalsContact NH2-C 3.34Å; R47-S123 PolarHBondContact NH2-O 2.83Å; L119-S123 PolarHBondContact O-N 3.38Å; W120-S123 WeakPolarHBondContact O-CB 3.15Å; W120-S123 PolarHBondContact O-N 2.86Å; W120-S123 VanDerWaalsContact O-N 3.07Å; W120-S123 PolarHBondContact O-OG 3Å; T121-S123 VanDerWaalsContact C-N 3.28Å; T121-S123 PolarHBondContact O-N 3.35Å; S123-E127 VanDerWaalsContact O-CB 3.29Å; S123-E127 WeakPolarHBondContact O-CB 3.36Å; S123-E127 PolarHBondContact O-N 2.93Å
124I97.9Very high96.9Very high12 Ų1226 Ų266%0.06214%0.138CC..Hα-helixtrans-68.4-48.2-179.1-67.1-70.1000110.4W120 T121 F122 S128 I179 A183W120-I124 HydrophobicContact CD2-CG1 4.12Å; W120-I124 HydrophobicContact CE3-CG1 4.27Å; W120-I124 HydrophobicContact CH2-CD1 4.32Å; W120-I124 HydrophobicContact CH2-CG1 3.88Å; W120-I124 HydrophobicContact CZ2-CD1 3.82Å; W120-I124 HydrophobicContact CZ2-CG1 3.73Å; W120-I124 HydrophobicContact CZ3-CG1 4.15Å; W120-I124 WeakPolarHBondContact O-CG1 3.31Å; W120-I124 PolarHBondContact O-N 3.45Å; W120-I124 VanDerWaalsContact O-N 3.09Å; T121-I124 WeakPolarHBondContact O-CB 2.74Å; T121-I124 PolarHBondContact O-N 3.3Å; T121-I124 VanDerWaalsContact O-N 3.09Å; F122-I124 VanDerWaalsContact C-N 3.3Å; F122-I124 PolarHBondContact O-N 2.53Å; I124-S128 PolarHBondContact O-N 2.81Å; I124-I179 HydrophobicContact CG2-CG2 4.08Å; I124-A183 HydrophobicContact CG2-CB 3.52Å
125Y98.1Very high96.7Very high24 Ų2426 Ų269%0.09414%0.136CC..Hα-helixtrans-65.2-42.8176.1-66.6-28.5000112.1L105 V109 T121 F122 E127 S128 I179 A183L105-Y125 HydrophobicContact CB-CD2 4.29Å; L105-Y125 HydrophobicContact CB-CE2 4.33Å; L105-Y125 HydrophobicContact CD2-CD1 4.47Å; L105-Y125 HydrophobicContact CD2-CD2 3.9Å; L105-Y125 HydrophobicContact CD2-CE1 4.43Å; L105-Y125 HydrophobicContact CD2-CE2 3.85Å; L105-Y125 HydrophobicContact CD2-CG 4.22Å; L105-Y125 HydrophobicContact CG-CD2 3.97Å; L105-Y125 HydrophobicContact CG-CE2 3.65Å; V109-Y125 WeakPolarHBondContact CG1-OH 2.89Å; V109-Y125 PolarHBondContact O-OH 3.16Å; T121-Y125 HydrophobicContact CG2-CD2 3.86Å; T121-Y125 HydrophobicContact CG2-CE2 3.35Å; T121-Y125 PolarHBondContact O-N 3.3Å; F122-Y125 PolarHBondContact O-N 2.9Å; Y125-E127 PolarHBondContact O-N 3.47Å; Y125-S128 WeakPolarHBondContact O-CB 3.38Å; Y125-S128 PolarHBondContact O-N 3.31Å; Y125-S128 PolarHBondContact O-OG 3.47Å; Y125-I179 HydrophobicContact CE1-CG2 3.67Å; Y125-A183 HydrophobicContact CD1-CB 4.2Å
126L98.5Very high96.6Very high0 Ų024.7 Ų24.70%012%0.119CC..Hα-helixtrans-66.1-42.4-178.2-174.764.5000111.4L39 L42 V43 V99 V102 F122 S128 V129 A130L39-L126 HydrophobicContact CD2-CD1 4.2Å; L39-L126 HydrophobicContact CD2-CD2 4.49Å; L42-L126 HydrophobicContact CB-CD2 4.24Å; L42-L126 HydrophobicContact CD2-CD2 3.77Å; L42-L126 HydrophobicContact CG-CD2 3.97Å; V43-L126 HydrophobicContact CG2-CB 3.89Å; V43-L126 HydrophobicContact CG2-CD2 3.84Å; V43-L126 HydrophobicContact CG2-CG 3.81Å; V99-L126 HydrophobicContact CG2-CD1 4.31Å; V102-L126 HydrophobicContact CG1-CB 3.97Å; F122-L126 HydrophobicContact CE1-CB 4.49Å; F122-L126 HydrophobicContact CE1-CD2 3.72Å; F122-L126 HydrophobicContact CZ-CB 4.49Å; F122-L126 HydrophobicContact CZ-CD2 3.71Å; F122-L126 WeakPolarHBondContact O-CB 3.46Å; F122-L126 PolarHBondContact O-N 2.9Å; L126-S128 PolarHBondContact O-N 2.83Å; L126-V129 HydrophobicContact CD1-CG2 4.48Å; L126-V129 CarbonylContact O-C 3.4Å; L126-V129 WeakPolarHBondContact O-CG2 3.24Å; L126-V129 PolarHBondContact O-N 3.37Å; L126-V129 VanDerWaalsContact O-N 3.1Å; L126-A130 WeakPolarHBondContact O-CB 3.21Å; L126-A130 PolarHBondContact O-N 3.01Å
127E98Very high96.5Very high1 Ų120.5 Ų20.51%0.00510%0.098CC..Hα-helixtrans-57.8-36.1177-169.1-177.4-15700111.7H12 F40 V43 R47 S123 Y125 V129 A130 Y158 R159 Q187H12-E127 IonicContact CE1-OE1 3.77Å; F40-E127 HydrophobicContact CE1-CG 4.44Å; V43-E127 HydrophobicContact CG1-CB 3.85Å; V43-E127 HydrophobicContact CG1-CG 4.17Å; V43-E127 HydrophobicContact CG2-CB 3.94Å; R47-E127 IonicContact CZ-OE2 3.97Å; R47-E127 VanDerWaalsContact NH1-CD 3.26Å; R47-E127 IonicContact NH1-OE1 2.67Å; R47-E127 PolarHBondContact NH1-OE1 3.32Å; R47-E127 IonicContact NH1-OE2 2.67Å; R47-E127 PolarHBondContact NH1-OE2 3.09Å; R47-E127 IonicContact NH2-OE2 3.35Å; R47-E127 PolarHBondContact NH2-OE2 3.26Å; S123-E127 VanDerWaalsContact O-CB 3.29Å; S123-E127 WeakPolarHBondContact O-CB 3.36Å; S123-E127 PolarHBondContact O-N 2.93Å; Y125-E127 PolarHBondContact O-N 3.47Å; E127-V129 PolarHBondContact O-N 2.86Å; E127-V129 VanDerWaalsContact O-N 3.16Å; E127-A130 PolarHBondContact O-N 3.22Å; E127-Y158 PolarHBondContact OE1-OH 3.16Å; E127-R159 IonicContact OE2-NH1 3.75Å; E127-Q187 PolarHBondContact O-NE2 3.29Å
128S96.7Very high96.3Very high9 Ų918.7 Ų18.76%0.0639%0.09CC..Hα-helixtrans-60.6-27.8-179.578.40000113.5I124 Y125 L126 A183 L190I124-S128 PolarHBondContact O-N 2.81Å; Y125-S128 WeakPolarHBondContact O-CB 3.38Å; Y125-S128 PolarHBondContact O-N 3.31Å; Y125-S128 PolarHBondContact O-OG 3.47Å; L126-S128 PolarHBondContact O-N 2.83Å; S128-A183 VanDerWaalsContact CB-O 3.25Å; S128-A183 WeakPolarHBondContact CB-O 3.29Å; S128-L190 VanDerWaalsContact O-CD1 3.28Å; S128-L190 WeakPolarHBondContact O-CD1 3.44Å
129V97.7Very high95.9Very high22 Ų2221.8 Ų21.813%0.13311%0.112CC..Hα-helixtrans-117.1-2.5-176.9-64.80000113.8L98 V102 L126 E127 I131 L132 L190L98-V129 HydrophobicContact CB-CG2 4.19Å; L98-V129 HydrophobicContact CD1-CB 4.44Å; L98-V129 HydrophobicContact CD1-CG2 4.32Å; L98-V129 HydrophobicContact CD2-CB 4.22Å; L98-V129 HydrophobicContact CD2-CG2 4.22Å; L98-V129 HydrophobicContact CG-CG2 4.46Å; V102-V129 HydrophobicContact CG2-CG2 4.14Å; L126-V129 HydrophobicContact CD1-CG2 4.48Å; L126-V129 CarbonylContact O-C 3.4Å; L126-V129 WeakPolarHBondContact O-CG2 3.24Å; L126-V129 PolarHBondContact O-N 3.37Å; L126-V129 VanDerWaalsContact O-N 3.1Å; E127-V129 PolarHBondContact O-N 2.86Å; E127-V129 VanDerWaalsContact O-N 3.16Å; V129-I131 PolarHBondContact O-N 3.42Å; V129-L132 HydrophobicContact CB-CD1 3.84Å; V129-L132 HydrophobicContact CB-CG 4.35Å; V129-L132 HydrophobicContact CG1-CD1 4.15Å; V129-L132 WeakPolarHBondContact O-CB 3.44Å; V129-L132 WeakPolarHBondContact O-CG 3.24Å; V129-L132 PolarHBondContact O-N 2.84Å; V129-L190 HydrophobicContact CG1-CD1 4.43Å
130A97.6Very high95.4Very high0 Ų023.7 Ų23.70%012%0.118CC..THydrogen-bonded Turntrans-61.2-22.1-174.300000113.9S36 L39 F40 L126 E127 P133S36-A130 WeakPolarHBondContact CA-O 3.46Å; S36-A130 WeakPolarHBondContact CB-O 3.41Å; S36-A130 PolarHBondContact OG-O 3.28Å; L39-A130 HydrophobicContact CB-CB 3.81Å; F40-A130 HydrophobicContact CD1-CB 3.84Å; F40-A130 HydrophobicContact CE1-CB 3.6Å; F40-A130 HydrophobicContact CE2-CB 4.3Å; F40-A130 HydrophobicContact CG-CB 4.28Å; F40-A130 HydrophobicContact CZ-CB 3.84Å; L126-A130 WeakPolarHBondContact O-CB 3.21Å; L126-A130 PolarHBondContact O-N 3.01Å; E127-A130 PolarHBondContact O-N 3.22Å; A130-P133 WeakPolarHBondContact O-CD 3.44Å
131I95.7Very high95Very high0 Ų023 Ų230%012%0.121CC..THydrogen-bonded Turntrans-82.5-14.8178.5-159.563.5000114F40 V129 P133 Q134 L135 L152 L155 Y191F40-I131 HydrophobicContact CE2-CD1 3.91Å; F40-I131 HydrophobicContact CZ-CB 4.22Å; F40-I131 HydrophobicContact CZ-CD1 4.09Å; V129-I131 PolarHBondContact O-N 3.42Å; I131-P133 VanDerWaalsContact C-CD 3.47Å; I131-P133 VanDerWaalsContact C-N 3.34Å; I131-Q134 HydrophobicContact CD1-CB 3.91Å; I131-Q134 HydrophobicContact CD1-CG 4.26Å; I131-Q134 HydrophobicContact CG1-CB 4.38Å; I131-Q134 WeakPolarHBondContact O-CB 3.39Å; I131-Q134 PolarHBondContact O-N 2.71Å; I131-L135 HydrophobicContact CG1-CG 4.19Å; I131-L135 HydrophobicContact CG2-CD1 3.9Å; I131-L135 HydrophobicContact CG2-CG 4.35Å; I131-L135 PolarHBondContact O-N 3.2Å; I131-L152 HydrophobicContact CD1-CD2 3.63Å; I131-L152 HydrophobicContact CG1-CD2 4.06Å; I131-L155 HydrophobicContact CD1-CD2 3.88Å; I131-Y191 WeakPolarHBondContact CB-OH 3.36Å; I131-Y191 HydrophobicContact CG1-CE1 3.94Å; I131-Y191 VanDerWaalsContact CG1-OH 3.24Å; I131-Y191 WeakPolarHBondContact CG1-OH 3.08Å; I131-Y191 HydrophobicContact CG2-CE2 4.05Å
132L95.9Very high94.2Very high40 Ų4024.4 Ų24.421%0.20914%0.135CC..Hα-helixtrans-53.7-42.1-175.3-72.1177.9000113.7F93 L98 V129 Q134 L135 F136 L190F93-L132 HydrophobicContact CE2-CB 4.13Å; F93-L132 HydrophobicContact CZ-CB 4.07Å; F93-L132 HydrophobicContact CZ-CD1 4.33Å; L98-L132 HydrophobicContact CD1-CB 4.27Å; L98-L132 HydrophobicContact CD1-CD1 4.27Å; L98-L132 HydrophobicContact CD2-CD1 3.74Å; V129-L132 HydrophobicContact CB-CD1 3.84Å; V129-L132 HydrophobicContact CB-CG 4.35Å; V129-L132 HydrophobicContact CG1-CD1 4.15Å; V129-L132 WeakPolarHBondContact O-CB 3.44Å; V129-L132 WeakPolarHBondContact O-CG 3.24Å; V129-L132 PolarHBondContact O-N 2.84Å; L132-Q134 VanDerWaalsContact C-N 3.3Å; L132-Q134 PolarHBondContact O-N 2.83Å; L132-L135 PolarHBondContact O-N 2.65Å; L132-F136 VanDerWaalsContact O-CB 3.24Å; L132-F136 WeakPolarHBondContact O-CB 3.29Å; L132-F136 PolarHBondContact O-N 2.67Å; L132-L190 HydrophobicContact CD2-CD1 3.85Å; L132-L190 HydrophobicContact CD2-CD2 3.78Å; L132-L190 HydrophobicContact CD2-CG 4.38Å; L132-L190 HydrophobicContact CG-CD1 4.13Å
133P96.3Very high93.2Very high0 Ų028.1 Ų28.10%015%0.152CC..Hα-helixtrans-61.2-36.3177.1-22.634.3000113.2S33 K35 S36 L39 F93 V95 A130 I131 M137S33-P133 VanDerWaalsContact OG-CB 3.3Å; S33-P133 WeakPolarHBondContact OG-CB 3.34Å; K35-P133 HydrophobicContact CB-CB 3.85Å; K35-P133 HydrophobicContact CB-CG 4.19Å; S36-P133 WeakPolarHBondContact OG-CB 3.3Å; L39-P133 HydrophobicContact CD1-CG 4.1Å; F93-P133 HydrophobicContact CB-CB 3.78Å; F93-P133 HydrophobicContact CB-CG 4.17Å; F93-P133 HydrophobicContact CD1-CB 4.43Å; F93-P133 HydrophobicContact CD1-CG 3.89Å; F93-P133 HydrophobicContact CG-CB 4.15Å; F93-P133 HydrophobicContact CG-CG 4.08Å; V95-P133 HydrophobicContact CG1-CG 3.97Å; A130-P133 WeakPolarHBondContact O-CD 3.44Å; I131-P133 VanDerWaalsContact C-CD 3.47Å; I131-P133 VanDerWaalsContact C-N 3.34Å; P133-M137 WeakPolarHBondContact O-CB 3.35Å; P133-M137 PolarHBondContact O-N 3.5Å
134Q94.9Very high92.3Very high0 Ų028.8 Ų28.80%016%0.158CC..Hα-helixtrans-70.5-44.2177.4-178.264.374.600112G31 S36 I131 L132 F136 M137 I138 L152G31-Q134 PolarHBondContact O-NE2 3.08Å; S36-Q134 WeakPolarHBondContact OG-CB 3.45Å; S36-Q134 PolarHBondContact OG-N 3.31Å; I131-Q134 HydrophobicContact CD1-CB 3.91Å; I131-Q134 HydrophobicContact CD1-CG 4.26Å; I131-Q134 HydrophobicContact CG1-CB 4.38Å; I131-Q134 WeakPolarHBondContact O-CB 3.39Å; I131-Q134 PolarHBondContact O-N 2.71Å; L132-Q134 VanDerWaalsContact C-N 3.3Å; L132-Q134 PolarHBondContact O-N 2.83Å; Q134-F136 VanDerWaalsContact C-N 3.3Å; Q134-M137 PolarHBondContact O-N 3.32Å; Q134-I138 HydrophobicContact CG-CD1 4.16Å; Q134-I138 WeakPolarHBondContact O-CG1 3.36Å; Q134-I138 PolarHBondContact O-N 2.87Å; Q134-L152 HydrophobicContact CG-CD2 4.11Å
135L92.5Very high91.7Very high38 Ų3832.9 Ų32.920%0.19918%0.177CC..Hα-helixtrans-62.7-41.6175.9-65.9178.8000110.8I131 L132 I138 S139 L190 F194I131-L135 HydrophobicContact CG1-CG 4.19Å; I131-L135 HydrophobicContact CG2-CD1 3.9Å; I131-L135 HydrophobicContact CG2-CG 4.35Å; I131-L135 PolarHBondContact O-N 3.2Å; L132-L135 PolarHBondContact O-N 2.65Å; L135-I138 PolarHBondContact O-N 3.36Å; L135-S139 WeakPolarHBondContact O-CB 3.31Å; L135-S139 PolarHBondContact O-N 3.18Å; L135-L190 WeakPolarHBondContact CD1-O 3.48Å; L135-F194 HydrophobicContact CD2-CB 4.43Å
136F92.7Very high90.7Very high75 Ų7535.5 Ų35.533%0.32920%0.196SC..Hα-helixtrans-64.3-41.2176.3-173.3-100.7000112.5F93 L132 Q134 S139 K140F93-F136 HydrophobicContact CB-CD1 4.07Å; F93-F136 HydrophobicContact CB-CG 4.49Å; F93-F136 HydrophobicContact CD2-CB 3.73Å; F93-F136 HydrophobicContact CD2-CD1 4.09Å; F93-F136 HydrophobicContact CD2-CD2 4.14Å; F93-F136 AromaticContact CD2-CG 3.74Å; F93-F136 HydrophobicContact CD2-CG 3.74Å; L132-F136 VanDerWaalsContact O-CB 3.24Å; L132-F136 WeakPolarHBondContact O-CB 3.29Å; L132-F136 PolarHBondContact O-N 2.67Å; Q134-F136 VanDerWaalsContact C-N 3.3Å; F136-S139 PolarHBondContact O-N 2.93Å; F136-K140 HydrophobicContact CD1-CD 4.16Å; F136-K140 HydrophobicContact CE1-CD 3.64Å; F136-K140 HydrophobicContact CE1-CG 4.25Å; F136-K140 HydrophobicContact CZ-CD 4.17Å; F136-K140 VanDerWaalsContact CZ-CE 3.45Å; F136-K140 PolarHBondContact O-N 2.62Å
137M92.8Very high90Very high1 Ų139.3 Ų39.31%0.00522%0.215CC..Hα-helixtrans-61.5-46.2175.2-174.3-177.6-177.700111.3D87 H90 D91 P133 Q134 S139 K140 T141D87-M137 HydrophobicContact CB-CE 3.78Å; H90-M137 HydrophobicContact CB-CE 4.3Å; H90-M137 HydrophobicContact CB-CG 4.17Å; D91-M137 HydrophobicContact CB-SD 4.29Å; P133-M137 WeakPolarHBondContact O-CB 3.35Å; P133-M137 PolarHBondContact O-N 3.5Å; Q134-M137 PolarHBondContact O-N 3.32Å; M137-S139 VanDerWaalsContact C-N 3.29Å; M137-S139 PolarHBondContact O-N 2.74Å; M137-K140 PolarHBondContact O-N 2.67Å; M137-K140 VanDerWaalsContact O-N 3.13Å; M137-T141 HydrophobicContact CG-CG2 4.45Å; M137-T141 WeakPolarHBondContact O-CG2 3.36Å; M137-T141 PolarHBondContact O-N 3.35Å; M137-T141 PolarHBondContact O-OG1 3.37Å; M137-T141 VanDerWaalsContact O-OG1 3.14Å
138I90.9Very high89.4Confident11 Ų1139.4 Ų39.46%0.05622%0.216CC..Hα-helixtrans-62.3-39.5176.8-68.5167000111Q134 L135 K140 T141 G142 A144 L152 L208Q134-I138 HydrophobicContact CG-CD1 4.16Å; Q134-I138 WeakPolarHBondContact O-CG1 3.36Å; Q134-I138 PolarHBondContact O-N 2.87Å; L135-I138 PolarHBondContact O-N 3.36Å; I138-K140 VanDerWaalsContact C-N 3.29Å; I138-K140 PolarHBondContact O-N 2.56Å; I138-T141 PolarHBondContact O-N 3.02Å; I138-T141 PolarHBondContact O-OG1 3.22Å; I138-G142 PolarHBondContact O-N 3.24Å; I138-A144 HydrophobicContact CD1-CB 4.05Å; I138-A144 HydrophobicContact CG1-CB 4.08Å; I138-A144 HydrophobicContact CG2-CB 4.05Å; I138-L152 HydrophobicContact CD1-CD1 3.45Å; I138-L152 VanDerWaalsContact CD1-CD1 3.45Å; I138-L208 HydrophobicContact CG2-CD2 3.93Å
139S88.1Confident89Confident77 Ų7739 Ų3954%0.53821%0.213SC..Hα-helixtrans-60.9-38.2174.5179.60000112.9L135 F136 M137 L210L135-S139 WeakPolarHBondContact O-CB 3.31Å; L135-S139 PolarHBondContact O-N 3.18Å; F136-S139 PolarHBondContact O-N 2.93Å; M137-S139 VanDerWaalsContact C-N 3.29Å; M137-S139 PolarHBondContact O-N 2.74Å; S139-L210 VanDerWaalsContact CA-CD1 3.43Å
140K88.2Confident88.7Confident102 Ų10241.1 Ų41.144%0.44322%0.222SC..Hα-helixtrans-75.2-40.8177.1-78.9-169.2159.6-166.60114.1T92 F136 M137 I138 G142T92-K140 PolarHBondContact OG1-NZ 2.94Å; F136-K140 HydrophobicContact CD1-CD 4.16Å; F136-K140 HydrophobicContact CE1-CD 3.64Å; F136-K140 HydrophobicContact CE1-CG 4.25Å; F136-K140 HydrophobicContact CZ-CD 4.17Å; F136-K140 VanDerWaalsContact CZ-CE 3.45Å; F136-K140 PolarHBondContact O-N 2.62Å; M137-K140 PolarHBondContact O-N 2.67Å; M137-K140 VanDerWaalsContact O-N 3.13Å; I138-K140 VanDerWaalsContact C-N 3.29Å; I138-K140 PolarHBondContact O-N 2.56Å; K140-G142 VanDerWaalsContact C-N 3.31Å
141T88.4Confident88.5Confident51 Ų5141.4 Ų41.431%0.31322%0.222SC..Hα-helixtrans-79.8-16.6-177.457.10000112.7H90 M137 I138 E143H90-T141 HydrophobicContact CB-CG2 3.83Å; M137-T141 HydrophobicContact CG-CG2 4.45Å; M137-T141 WeakPolarHBondContact O-CG2 3.36Å; M137-T141 PolarHBondContact O-N 3.35Å; M137-T141 PolarHBondContact O-OG1 3.37Å; M137-T141 VanDerWaalsContact O-OG1 3.14Å; I138-T141 PolarHBondContact O-N 3.02Å; I138-T141 PolarHBondContact O-OG1 3.22Å; T141-E143 PolarHBondContact O-N 3.16Å; T141-E143 PolarHBondContact OG1-O 3.49Å; T141-E143 VanDerWaalsContact OG1-O 3.11Å
142G80.7Confident88.3Confident28 Ų2841.4 Ų41.429%0.28922%0.222SC..SBendtrans76-15.4176.700000114.8I138 K140 S209 L210I138-G142 PolarHBondContact O-N 3.24Å; K140-G142 VanDerWaalsContact C-N 3.31Å; G142-S209 VanDerWaalsContact O-CA 3.3Å; G142-S209 WeakPolarHBondContact O-CA 3.42Å; G142-L210 PolarHBondContact O-N 3.39Å
143E77.5Confident88.2Confident99 Ų9941.8 Ų41.846%0.46322%0.223SC..EExtended strand (participates in β ladder)trans-135.8150.4174.9-64-166.5174.700112.2T141 K207 L208T141-E143 PolarHBondContact O-N 3.16Å; T141-E143 PolarHBondContact OG1-O 3.49Å; T141-E143 VanDerWaalsContact OG1-O 3.11Å; E143-K207 IonicContact OE1-NZ 3.99Å; E143-K207 IonicContact OE2-NZ 2.99Å; E143-K207 PolarHBondContact OE2-NZ 3.33Å; E143-L208 WeakPolarHBondContact CA-O 3.33Å
144A80.1Confident88.1Confident15 Ų1545 Ų4512%0.12424%0.237CC..EExtended strand (participates in β ladder)trans-124.4137.2166.200000110.7I138 T149 L208I138-A144 HydrophobicContact CD1-CB 4.05Å; I138-A144 HydrophobicContact CG1-CB 4.08Å; I138-A144 HydrophobicContact CG2-CB 4.05Å; A144-T149 HydrophobicContact CB-CG2 3.83Å; A144-L208 HydrophobicContact CB-CD2 3.84Å; A144-L208 PolarHBondContact N-O 3.03Å
145E83.6Confident88.1Confident97 Ų9745.1 Ų45.145%0.45324%0.237SC..  trans-60.8144.7173.7-62.8-179104.500111.2K22 I147 T148 T149K22-E145 WeakPolarHBondContact CE-OE2 3.41Å; K22-E145 IonicContact NZ-OE2 3.14Å; K22-E145 PolarHBondContact NZ-OE2 3.07Å; E145-I147 VanDerWaalsContact C-N 3.25Å; E145-I147 PolarHBondContact O-N 3Å; E145-I147 VanDerWaalsContact O-N 3.16Å; E145-T148 WeakPolarHBondContact O-CA 3.2Å; E145-T148 VanDerWaalsContact O-CB 3.31Å; E145-T148 WeakPolarHBondContact O-CB 3.45Å; E145-T148 PolarHBondContact O-N 3.45Å; E145-T149 PolarHBondContact O-N 2.83Å
146T78.9Confident88.1Confident79 Ų7943.3 Ų43.349%0.48523%0.228SC..Hα-helixtrans-55.4-36.5-178.1-48.80000113.4T149 H150 V202T146-T149 PolarHBondContact O-N 2.99Å; T146-T149 PolarHBondContact O-OG1 2.88Å; T146-H150 PolarHBondContact O-CD2 3.27Å; T146-H150 PolarHBondContact O-N 3.1Å; T146-H150 VanDerWaalsContact O-N 3.08Å; T146-V202 HydrophobicContact CG2-CG1 4.28Å
147I83.6Confident88.2Confident81 Ų8142.4 Ų42.442%0.41523%0.226SC..Hα-helixtrans-68.7-37.9177.6-58.2177.4000110.9I18 K22 E145 T149 H150 Y151I18-I147 HydrophobicContact CG2-CG2 3.87Å; K22-I147 HydrophobicContact CB-CG2 3.79Å; K22-I147 HydrophobicContact CG-CB 4.16Å; K22-I147 HydrophobicContact CG-CD1 4.45Å; K22-I147 HydrophobicContact CG-CG2 3.68Å; E145-I147 VanDerWaalsContact C-N 3.25Å; E145-I147 PolarHBondContact O-N 3Å; E145-I147 VanDerWaalsContact O-N 3.16Å; I147-T149 VanDerWaalsContact C-N 3.29Å; I147-T149 PolarHBondContact O-N 3.43Å; I147-H150 PolarHBondContact O-N 3.35Å; I147-Y151 PolarHBondContact O-N 3.29Å
148T85.1Confident88.3Confident3 Ų342.5 Ų42.52%0.01823%0.226CC..Hα-helixtrans-64-36.7175.3-53.60000110.9I32 E145 Y151 L152I32-T148 HydrophobicContact CD1-CG2 3.71Å; E145-T148 WeakPolarHBondContact O-CA 3.2Å; E145-T148 VanDerWaalsContact O-CB 3.31Å; E145-T148 WeakPolarHBondContact O-CB 3.45Å; E145-T148 PolarHBondContact O-N 3.45Å; T148-Y151 HydrophobicContact CG2-CD1 4.39Å; T148-Y151 WeakPolarHBondContact O-CB 3.41Å; T148-Y151 PolarHBondContact O-N 3.21Å; T148-L152 WeakPolarHBondContact O-CG 3.3Å; T148-L152 PolarHBondContact O-N 2.83Å
149T88.1Confident88.4Confident1 Ų142.3 Ų42.31%0.00623%0.225CC..Hα-helixtrans-69.9-36.6176.2660000112.3A144 E145 T146 I147 L152 F153 F194 V202 L208A144-T149 HydrophobicContact CB-CG2 3.83Å; E145-T149 PolarHBondContact O-N 2.83Å; T146-T149 PolarHBondContact O-N 2.99Å; T146-T149 PolarHBondContact O-OG1 2.88Å; I147-T149 VanDerWaalsContact C-N 3.29Å; I147-T149 PolarHBondContact O-N 3.43Å; T149-L152 PolarHBondContact O-N 3.09Å; T149-F153 WeakPolarHBondContact O-CB 3.34Å; T149-F153 PolarHBondContact O-N 3.2Å; T149-F194 HydrophobicContact CG2-CE2 4.26Å; T149-F194 HydrophobicContact CG2-CZ 4.5Å; T149-F194 VanDerWaalsContact O-CZ 3.29Å; T149-F194 WeakPolarHBondContact O-CZ 3.42Å; T149-V202 HydrophobicContact CG2-CG2 4.24Å; T149-L208 HydrophobicContact CG2-CB 3.95Å; T149-L208 HydrophobicContact CG2-CD2 4.2Å; T149-L208 HydrophobicContact CG2-CG 4.45Å
150H91.8Very high88.7Confident66 Ų6640.1 Ų40.131%0.30621%0.211SC..Hα-helixtrans-61.9-43.8170.8-65.7-45.5000112.5T146 I147 L152 F153 F154 Y198T146-H150 PolarHBondContact O-CD2 3.27Å; T146-H150 PolarHBondContact O-N 3.1Å; T146-H150 VanDerWaalsContact O-N 3.08Å; I147-H150 PolarHBondContact O-N 3.35Å; H150-L152 PolarHBondContact O-N 3.31Å; H150-F153 PolarHBondContact O-N 2.96Å; H150-F154 WeakPolarHBondContact O-CD2 3.42Å; H150-F154 PolarHBondContact O-N 2.9Å; H150-Y198 PolarHBondContact CE1-OH 3.01Å; H150-Y198 AromaticContact ND1-CE2 3.8Å; H150-Y198 AromaticContact ND1-CZ 3.72Å; H150-Y198 PolarHBondContact ND1-OH 2.93Å
151Y92.2Very high89Confident5 Ų536.9 Ų36.92%0.0220%0.199CC..Hα-helixtrans-54.2-52.2173.5148.3-107.8000111.4A15 L19 Q37 I147 T148 F153 F154 L155A15-Y151 HydrophobicContact CB-CD2 4.03Å; A15-Y151 HydrophobicContact CB-CE2 4.49Å; A15-Y151 WeakPolarHBondContact O-CD2 3.33Å; L19-Y151 HydrophobicContact CB-CD2 3.87Å; L19-Y151 HydrophobicContact CB-CE2 4.27Å; L19-Y151 HydrophobicContact CB-CG 4.21Å; L19-Y151 HydrophobicContact CD2-CD2 4.27Å; L19-Y151 HydrophobicContact CD2-CE1 4.38Å; L19-Y151 HydrophobicContact CD2-CE2 3.87Å; Q37-Y151 PolarHBondContact NE2-OH 2.96Å; Q37-Y151 VanDerWaalsContact NE2-OH 3.1Å; I147-Y151 PolarHBondContact O-N 3.29Å; T148-Y151 HydrophobicContact CG2-CD1 4.39Å; T148-Y151 WeakPolarHBondContact O-CB 3.41Å; T148-Y151 PolarHBondContact O-N 3.21Å; Y151-F153 VanDerWaalsContact C-N 3.29Å; Y151-F153 PolarHBondContact O-N 3.35Å; Y151-F154 PolarHBondContact O-N 3.31Å; Y151-L155 HydrophobicContact CE2-CB 4.43Å; Y151-L155 HydrophobicContact CE2-CD2 3.76Å; Y151-L155 VanDerWaalsContact O-CB 3.32Å; Y151-L155 WeakPolarHBondContact O-CB 3.23Å; Y151-L155 PolarHBondContact O-N 3.41Å; Y151-L155 WeakPolarHBondContact OH-CD2 3.14Å
152L92.4Very high89.2Confident0 Ų036.2 Ų36.20%019%0.191CC..Hα-helixtrans-62.8-35.7179.3-72.1174.2000112.5I131 Q134 I138 T148 T149 H150 L155 G156 Y191 F194I131-L152 HydrophobicContact CD1-CD2 3.63Å; I131-L152 HydrophobicContact CG1-CD2 4.06Å; Q134-L152 HydrophobicContact CG-CD2 4.11Å; I138-L152 HydrophobicContact CD1-CD1 3.45Å; I138-L152 VanDerWaalsContact CD1-CD1 3.45Å; T148-L152 WeakPolarHBondContact O-CG 3.3Å; T148-L152 PolarHBondContact O-N 2.83Å; T149-L152 PolarHBondContact O-N 3.09Å; H150-L152 PolarHBondContact O-N 3.31Å; L152-L155 PolarHBondContact O-N 3.39Å; L152-G156 PolarHBondContact O-N 3.31Å; L152-Y191 HydrophobicContact CD2-CE1 4.37Å; L152-F194 HydrophobicContact CB-CD1 4.05Å; L152-F194 HydrophobicContact CB-CD2 4.31Å; L152-F194 HydrophobicContact CB-CE1 3.46Å; L152-F194 VanDerWaalsContact CB-CE1 3.46Å; L152-F194 HydrophobicContact CB-CE2 3.75Å; L152-F194 HydrophobicContact CB-CG 4.46Å; L152-F194 HydrophobicContact CB-CZ 3.31Å; L152-F194 HydrophobicContact CD1-CD2 3.89Å; L152-F194 HydrophobicContact CD1-CE2 3.5Å; L152-F194 VanDerWaalsContact CD1-CE2 3.5Å; L152-F194 HydrophobicContact CD1-CZ 3.99Å; L152-F194 HydrophobicContact CG-CE2 4.28Å; L152-F194 HydrophobicContact CG-CZ 4.29Å
153F93.6Very high89.8Confident49 Ų4936.7 Ų36.722%0.21519%0.186CC..Hα-helixtrans-63.6-51.2177.2175.8-97.5000111.6T149 H150 Y151 L155 G156 L157 F194 F195 Y198T149-F153 WeakPolarHBondContact O-CB 3.34Å; T149-F153 PolarHBondContact O-N 3.2Å; H150-F153 PolarHBondContact O-N 2.96Å; Y151-F153 VanDerWaalsContact C-N 3.29Å; Y151-F153 PolarHBondContact O-N 3.35Å; F153-L155 VanDerWaalsContact C-N 3.26Å; F153-L155 PolarHBondContact O-N 2.93Å; F153-G156 PolarHBondContact O-N 3.34Å; F153-L157 HydrophobicContact CE1-CD2 4.06Å; F153-L157 HydrophobicContact CZ-CD2 4.4Å; F153-L157 VanDerWaalsContact O-CB 3.26Å; F153-L157 WeakPolarHBondContact O-CB 3.3Å; F153-L157 PolarHBondContact O-N 3.46Å; F153-F194 HydrophobicContact CB-CE1 4.2Å; F153-F195 HydrophobicContact CD2-CD1 4.06Å; F153-F195 HydrophobicContact CD2-CE1 4.13Å; F153-F195 HydrophobicContact CE2-CD1 4.45Å; F153-Y198 HydrophobicContact CB-CD1 4.39Å; F153-Y198 HydrophobicContact CB-CD2 4.25Å; F153-Y198 HydrophobicContact CB-CE1 4.08Å; F153-Y198 HydrophobicContact CB-CE2 3.95Å; F153-Y198 HydrophobicContact CB-CG 4.46Å; F153-Y198 HydrophobicContact CD1-CE1 4.28Å; F153-Y198 AromaticContact CD2-CD1 3.46Å; F153-Y198 HydrophobicContact CD2-CD1 3.46Å; F153-Y198 VanDerWaalsContact CD2-CD1 3.46Å; F153-Y198 AromaticContact CD2-CE1 3.4Å; F153-Y198 HydrophobicContact CD2-CE1 3.4Å; F153-Y198 VanDerWaalsContact CD2-CE1 3.4Å; F153-Y198 HydrophobicContact CD2-CG 4.15Å; F153-Y198 AromaticContact CE2-CD1 3.99Å; F153-Y198 HydrophobicContact CE2-CD1 3.99Å; F153-Y198 AromaticContact CE2-CE1 3.86Å; F153-Y198 HydrophobicContact CE2-CE1 3.86Å; F153-Y198 HydrophobicContact CG-CD1 4.08Å; F153-Y198 AromaticContact CG-CE1 3.64Å; F153-Y198 HydrophobicContact CG-CE1 3.64Å; F153-Y198 HydrophobicContact CG-CE2 4.4Å; F153-Y198 AromaticContact CG-CZ 3.82Å; F153-Y198 HydrophobicContact CZ-CE1 4.46Å
154F95.1Very high90.7Very high67 Ų6734.9 Ų34.929%0.29418%0.182SC..Hα-helixtrans-65.1-32177.4-74.6-67.4000112.4S11 A15 I18 H150 Y151 L157 Y158S11-F154 PolarHBondContact OG-O 2.8Å; A15-F154 HydrophobicContact CB-CB 3.79Å; I18-F154 HydrophobicContact CD1-CD2 3.46Å; I18-F154 VanDerWaalsContact CD1-CD2 3.46Å; I18-F154 HydrophobicContact CD1-CE2 3.65Å; I18-F154 HydrophobicContact CD1-CG 4.46Å; H150-F154 WeakPolarHBondContact O-CD2 3.42Å; H150-F154 PolarHBondContact O-N 2.9Å; Y151-F154 PolarHBondContact O-N 3.31Å; F154-L157 PolarHBondContact O-N 2.95Å; F154-Y158 PolarHBondContact O-N 2.77Å; F154-Y158 VanDerWaalsContact O-N 3.16Å
155L93.7Very high91.3Very high3 Ų334.3 Ų34.32%0.01618%0.177CC..Hα-helixtrans-72.5-35.1175.5-163.568.8000112.5A15 F40 I131 Y151 L152 F153 Y158 Y191A15-L155 HydrophobicContact CB-CB 3.98Å; A15-L155 HydrophobicContact CB-CD1 4.18Å; F40-L155 HydrophobicContact CE2-CD2 4.03Å; F40-L155 HydrophobicContact CZ-CD2 3.78Å; I131-L155 HydrophobicContact CD1-CD2 3.88Å; Y151-L155 HydrophobicContact CE2-CB 4.43Å; Y151-L155 HydrophobicContact CE2-CD2 3.76Å; Y151-L155 VanDerWaalsContact O-CB 3.32Å; Y151-L155 WeakPolarHBondContact O-CB 3.23Å; Y151-L155 PolarHBondContact O-N 3.41Å; Y151-L155 WeakPolarHBondContact OH-CD2 3.14Å; L152-L155 PolarHBondContact O-N 3.39Å; F153-L155 VanDerWaalsContact C-N 3.26Å; F153-L155 PolarHBondContact O-N 2.93Å; L155-Y158 HydrophobicContact CD1-CD1 3.91Å; L155-Y158 HydrophobicContact CD1-CE1 3.48Å; L155-Y158 VanDerWaalsContact CD1-CE1 3.48Å; L155-Y158 HydrophobicContact CG-CD1 4.33Å; L155-Y158 HydrophobicContact CG-CE1 3.87Å; L155-Y158 WeakPolarHBondContact O-CD1 3.35Å; L155-Y158 WeakPolarHBondContact O-CE1 3.47Å; L155-Y191 WeakPolarHBondContact CD2-OH 3.46Å; L155-Y191 WeakPolarHBondContact CG-OH 3.14Å
156G93.8Very high91.8Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-69.9-43.5169.700000111.1L152 F153 Y158 R159 A160 F195L152-G156 PolarHBondContact O-N 3.31Å; F153-G156 PolarHBondContact O-N 3.34Å; G156-Y158 VanDerWaalsContact C-N 3.29Å; G156-Y158 PolarHBondContact O-N 2.96Å; G156-R159 PolarHBondContact O-N 3.12Å; G156-R159 VanDerWaalsContact O-N 3.09Å; G156-A160 PolarHBondContact O-N 2.93Å; G156-F195 VanDerWaalsContact CA-CZ 3.41Å
157L94.6Very high92.5Very high55 Ų5533 Ų3329%0.28817%0.167SC..Hα-helixtrans-61.6-35.8-173-17862.5000112.1F153 F154 R159 A160 L161F153-L157 HydrophobicContact CE1-CD2 4.06Å; F153-L157 HydrophobicContact CZ-CD2 4.4Å; F153-L157 VanDerWaalsContact O-CB 3.26Å; F153-L157 WeakPolarHBondContact O-CB 3.3Å; F153-L157 PolarHBondContact O-N 3.46Å; F154-L157 PolarHBondContact O-N 2.95Å; L157-R159 VanDerWaalsContact C-N 3.27Å; L157-R159 PolarHBondContact O-N 2.99Å; L157-A160 PolarHBondContact O-N 3.28Å; L157-L161 HydrophobicContact CD1-CD1 4.39Å; L157-L161 HydrophobicContact CD1-CG 4.31Å; L157-L161 HydrophobicContact CG-CD1 3.98Å; L157-L161 HydrophobicContact CG-CG 4.36Å; L157-L161 WeakPolarHBondContact O-CG 3.44Å; L157-L161 PolarHBondContact O-N 3.26Å
158Y95Very high93.1Very high3 Ų333.9 Ų33.91%0.01217%0.165CC..Hα-helixtrans-60.5-38.8176.991-96000112G8 H12 E127 F154 L155 G156 L161 Y162 Q187G8-Y158 WeakPolarHBondContact O-CB 3.22Å; H12-Y158 HydrophobicContact CB-CD1 4.03Å; H12-Y158 HydrophobicContact CB-CD2 4.19Å; H12-Y158 HydrophobicContact CB-CG 3.79Å; H12-Y158 AromaticContact CE1-CE2 3.99Å; H12-Y158 AromaticContact CE1-CZ 3.82Å; H12-Y158 AromaticContact CG-CD1 3.91Å; H12-Y158 AromaticContact CG-CG 3.98Å; H12-Y158 AromaticContact ND1-CD2 3.94Å; H12-Y158 AromaticContact ND1-CE2 3.73Å; H12-Y158 AromaticContact ND1-CZ 3.95Å; E127-Y158 PolarHBondContact OE1-OH 3.16Å; F154-Y158 PolarHBondContact O-N 2.77Å; F154-Y158 VanDerWaalsContact O-N 3.16Å; L155-Y158 HydrophobicContact CD1-CD1 3.91Å; L155-Y158 HydrophobicContact CD1-CE1 3.48Å; L155-Y158 VanDerWaalsContact CD1-CE1 3.48Å; L155-Y158 HydrophobicContact CG-CD1 4.33Å; L155-Y158 HydrophobicContact CG-CE1 3.87Å; L155-Y158 WeakPolarHBondContact O-CD1 3.35Å; L155-Y158 WeakPolarHBondContact O-CE1 3.47Å; G156-Y158 VanDerWaalsContact C-N 3.29Å; G156-Y158 PolarHBondContact O-N 2.96Å; Y158-L161 PolarHBondContact O-N 3.44Å; Y158-Y162 HydrophobicContact CD2-CD2 4.24Å; Y158-Y162 HydrophobicContact CD2-CE2 4.5Å; Y158-Y162 VanDerWaalsContact O-CD2 3.28Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.34Å; Y158-Y162 PolarHBondContact O-N 3.24Å; Y158-Q187 PolarHBondContact OH-NE2 2.96Å
159R92.1Very high93.5Very high8 Ų836 Ų363%0.0317%0.173CC..Hα-helixtrans-71-40.3178.3-66.6-55.9-63.3-175.1-25.2112.8E127 G156 L157 L161 Y162 L163 Q187E127-R159 IonicContact OE2-NH1 3.75Å; G156-R159 PolarHBondContact O-N 3.12Å; G156-R159 VanDerWaalsContact O-N 3.09Å; L157-R159 VanDerWaalsContact C-N 3.27Å; L157-R159 PolarHBondContact O-N 2.99Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 3.48Å; R159-Y162 WeakPolarHBondContact O-CB 3.36Å; R159-Y162 PolarHBondContact O-N 3.37Å; R159-Y162 VanDerWaalsContact O-N 3.12Å; R159-L163 PolarHBondContact O-N 3.41Å; R159-Q187 HydrophobicContact CG-CB 4.42Å; R159-Q187 HydrophobicContact CG-CG 3.95Å; R159-Q187 VanDerWaalsContact CZ-OE1 3.29Å
160A93.4Very high93.8Very high30 Ų3042.1 Ų42.125%0.24820%0.199CC..Hα-helixtrans-58.3-43.7172.800000111.2G156 L157 Y162 L163 V164G156-A160 PolarHBondContact O-N 2.93Å; L157-A160 PolarHBondContact O-N 3.28Å; A160-Y162 VanDerWaalsContact C-N 3.33Å; A160-Y162 PolarHBondContact O-N 3.23Å; A160-L163 WeakPolarHBondContact O-CB 3.28Å; A160-L163 PolarHBondContact O-N 3.05Å; A160-V164 PolarHBondContact O-N 3.3Å
161L95.2Very high94Very high34 Ų3447.7 Ų47.718%0.17822%0.219CC..Hα-helixtrans-65.8-34.7175.4-70.4169.4000112.5L157 Y158 R159 V164 N165L157-L161 HydrophobicContact CD1-CD1 4.39Å; L157-L161 HydrophobicContact CD1-CG 4.31Å; L157-L161 HydrophobicContact CG-CD1 3.98Å; L157-L161 HydrophobicContact CG-CG 4.36Å; L157-L161 WeakPolarHBondContact O-CG 3.44Å; L157-L161 PolarHBondContact O-N 3.26Å; Y158-L161 PolarHBondContact O-N 3.44Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 3.48Å; L161-V164 PolarHBondContact O-N 3.46Å; L161-N165 PolarHBondContact O-N 3.03Å
162Y93.3Very high94.1Very high37 Ų3753.2 Ų53.215%0.14524%0.243CC..Hα-helixtrans-66-36.8174.3-98.9-106.6000113R5 D9 Y158 R159 A160 N165 W166R5-Y162 HydrophobicContact CG-CE2 4.43Å; D9-Y162 WeakPolarHBondContact OD1-CE2 3.37Å; D9-Y162 PolarHBondContact OD1-OH 3.24Å; Y158-Y162 HydrophobicContact CD2-CD2 4.24Å; Y158-Y162 HydrophobicContact CD2-CE2 4.5Å; Y158-Y162 VanDerWaalsContact O-CD2 3.28Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.34Å; Y158-Y162 PolarHBondContact O-N 3.24Å; R159-Y162 WeakPolarHBondContact O-CB 3.36Å; R159-Y162 PolarHBondContact O-N 3.37Å; R159-Y162 VanDerWaalsContact O-N 3.12Å; A160-Y162 VanDerWaalsContact C-N 3.33Å; A160-Y162 PolarHBondContact O-N 3.23Å; Y162-N165 WeakPolarHBondContact O-CB 3.25Å; Y162-N165 PolarHBondContact O-N 3.09Å; Y162-W166 HydrophobicContact CD1-CZ2 4Å; Y162-W166 VanDerWaalsContact O-CD2 3.23Å; Y162-W166 PolarHBondContact O-N 3.13Å
163L93.6Very high94.2Very high38 Ų3858 Ų5820%0.19927%0.265CS..Hα-helixtrans-59.3-46.7171.2-72.1168.8000111.1R159 A160 N165 W166 I167 V185 T188R159-L163 PolarHBondContact O-N 3.41Å; A160-L163 WeakPolarHBondContact O-CB 3.28Å; A160-L163 PolarHBondContact O-N 3.05Å; L163-N165 VanDerWaalsContact C-N 3.32Å; L163-N165 PolarHBondContact O-N 3.09Å; L163-W166 HydrophobicContact CB-CE3 4.48Å; L163-W166 HydrophobicContact CD2-CE3 3.7Å; L163-W166 HydrophobicContact CD2-CZ3 3.54Å; L163-W166 HydrophobicContact CG-CE3 4.27Å; L163-W166 HydrophobicContact CG-CZ3 4.05Å; L163-W166 PolarHBondContact O-N 3.13Å; L163-W166 VanDerWaalsContact O-N 3.13Å; L163-I167 WeakPolarHBondContact O-CG1 3.28Å; L163-I167 PolarHBondContact O-N 2.92Å; L163-I167 VanDerWaalsContact O-N 3.08Å; L163-V185 HydrophobicContact CD2-CG2 3.58Å; L163-T188 HydrophobicContact CD1-CG2 3.85Å; L163-T188 VanDerWaalsContact CD1-OG1 3.23Å; L163-T188 WeakPolarHBondContact CD1-OG1 3.46Å
164V94.9Very high94.1Very high61 Ų6158.5 Ų58.537%0.3729%0.285SS..Hα-helixtrans-62.4-40.7176-177.60000111.2F4 A160 L161 W166 I167 W168F4-V164 HydrophobicContact CD1-CB 4.23Å; F4-V164 HydrophobicContact CD1-CG1 3.55Å; F4-V164 HydrophobicContact CD2-CG1 4.12Å; F4-V164 HydrophobicContact CE1-CG1 3.65Å; F4-V164 HydrophobicContact CE2-CG1 4.22Å; F4-V164 HydrophobicContact CG-CB 4.37Å; F4-V164 HydrophobicContact CG-CG1 3.8Å; F4-V164 HydrophobicContact CZ-CG1 3.98Å; A160-V164 PolarHBondContact O-N 3.3Å; L161-V164 PolarHBondContact O-N 3.46Å; V164-W166 VanDerWaalsContact C-N 3.33Å; V164-W166 PolarHBondContact O-N 3.4Å; V164-I167 PolarHBondContact O-N 3.46Å; V164-W168 PolarHBondContact O-N 3.07Å
165N94.3Very high93.9Very high4 Ų459.4 Ų59.42%0.02129%0.289CS..Hα-helixtrans-58.5-42.1172.7156.478.3000112.1N2 F4 R5 L161 Y162 L163 W168 R169N2-N165 PolarHBondContact ND2-OD1 2.95Å; N2-N165 PolarHBondContact OD1-OD1 2.62Å; F4-N165 HydrophobicContact CB-CB 3.9Å; R5-N165 HydrophobicContact CB-CB 4.37Å; L161-N165 PolarHBondContact O-N 3.03Å; Y162-N165 WeakPolarHBondContact O-CB 3.25Å; Y162-N165 PolarHBondContact O-N 3.09Å; L163-N165 VanDerWaalsContact C-N 3.32Å; L163-N165 PolarHBondContact O-N 3.09Å; N165-W168 WeakPolarHBondContact O-CB 3.36Å; N165-W168 PolarHBondContact O-N 3.37Å; N165-R169 VanDerWaalsContact O-CG 3.3Å; N165-R169 WeakPolarHBondContact O-CG 3.4Å; N165-R169 PolarHBondContact O-N 3.47Å
166W93.5Very high93.8Very high26 Ų2664.3 Ų64.310%0.09831%0.31CS..Hα-helixtrans-68-37.3178.8-62.6-43.7000112.5Y162 L163 V164 W168 R169 F170 A180 V181Y162-W166 HydrophobicContact CD1-CZ2 4Å; Y162-W166 VanDerWaalsContact O-CD2 3.23Å; Y162-W166 PolarHBondContact O-N 3.13Å; L163-W166 HydrophobicContact CB-CE3 4.48Å; L163-W166 HydrophobicContact CD2-CE3 3.7Å; L163-W166 HydrophobicContact CD2-CZ3 3.54Å; L163-W166 HydrophobicContact CG-CE3 4.27Å; L163-W166 HydrophobicContact CG-CZ3 4.05Å; L163-W166 PolarHBondContact O-N 3.13Å; L163-W166 VanDerWaalsContact O-N 3.13Å; V164-W166 VanDerWaalsContact C-N 3.33Å; V164-W166 PolarHBondContact O-N 3.4Å; W166-W168 VanDerWaalsContact C-N 3.33Å; W166-R169 PolarHBondContact O-N 2.83Å; W166-F170 WeakPolarHBondContact O-CB 3.41Å; W166-F170 PolarHBondContact O-N 2.81Å; W166-A180 WeakPolarHBondContact CH2-O 3.28Å; W166-A180 HydrophobicContact CZ2-CB 4.07Å; W166-V181 HydrophobicContact CB-CG2 3.93Å; W166-V181 HydrophobicContact CD2-CG2 3.8Å; W166-V181 HydrophobicContact CE3-CB 4.24Å; W166-V181 HydrophobicContact CE3-CG2 3.75Å; W166-V181 HydrophobicContact CG-CG2 3.88Å
167I93.8Very high93.7Very high121 Ų12165.3 Ų65.362%0.62132%0.316SS*.Hα-helixtrans-60.3-46.2172.2-64.4168.3000110.2L163 V164 F170 Y171L163-I167 WeakPolarHBondContact O-CG1 3.28Å; L163-I167 PolarHBondContact O-N 2.92Å; L163-I167 VanDerWaalsContact O-N 3.08Å; V164-I167 PolarHBondContact O-N 3.46Å; I167-F170 PolarHBondContact O-N 2.88Å; I167-Y171 PolarHBondContact O-N 3.39Å
168W95.3Very high93.7Very high101 Ų10167.8 Ų67.838%0.38333%0.329SS..Hα-helixtrans-59.1-49.2176.7179.5-77.8000112F4 V164 N165 W166 F170 Y171 F172F4-W168 HydrophobicContact CD2-CB 4.31Å; F4-W168 HydrophobicContact CD2-CD2 4.42Å; F4-W168 HydrophobicContact CD2-CE3 4.35Å; F4-W168 HydrophobicContact CD2-CG 4.42Å; F4-W168 HydrophobicContact CE2-CB 4.48Å; F4-W168 HydrophobicContact CE2-CD2 4.03Å; F4-W168 AromaticContact CE2-CE3 3.55Å; F4-W168 HydrophobicContact CE2-CE3 3.55Å; F4-W168 HydrophobicContact CE2-CG 4.45Å; F4-W168 HydrophobicContact CE2-CZ3 4.1Å; F4-W168 HydrophobicContact CZ-CE3 4.46Å; V164-W168 PolarHBondContact O-N 3.07Å; N165-W168 WeakPolarHBondContact O-CB 3.36Å; N165-W168 PolarHBondContact O-N 3.37Å; W166-W168 VanDerWaalsContact C-N 3.33Å; W168-F170 VanDerWaalsContact C-N 3.32Å; W168-F170 PolarHBondContact O-N 3.21Å; W168-Y171 PolarHBondContact O-N 2.84Å; W168-F172 AromaticContact CD1-CD2 3.94Å; W168-F172 AromaticContact CD2-CD2 3.49Å; W168-F172 HydrophobicContact CD2-CD2 3.49Å; W168-F172 VanDerWaalsContact CD2-CD2 3.49Å; W168-F172 AromaticContact CD2-CE2 3.62Å; W168-F172 HydrophobicContact CD2-CE2 3.62Å; W168-F172 AromaticContact CE2-CD2 3.38Å; W168-F172 AromaticContact CE2-CE2 3.66Å; W168-F172 AromaticContact CE3-CD2 3.91Å; W168-F172 HydrophobicContact CE3-CD2 3.91Å; W168-F172 AromaticContact CE3-CE2 3.52Å; W168-F172 HydrophobicContact CE3-CE2 3.52Å; W168-F172 AromaticContact CG-CD2 3.88Å; W168-F172 HydrophobicContact CG-CD2 3.88Å; W168-F172 HydrophobicContact CG-CE2 4.41Å; W168-F172 HydrophobicContact CH2-CD2 4.19Å; W168-F172 AromaticContact CH2-CE2 3.61Å; W168-F172 HydrophobicContact CH2-CE2 3.61Å; W168-F172 HydrophobicContact CH2-CZ 4.02Å; W168-F172 AromaticContact CZ2-CD2 3.76Å; W168-F172 HydrophobicContact CZ2-CD2 3.76Å; W168-F172 AromaticContact CZ2-CE2 3.67Å; W168-F172 HydrophobicContact CZ2-CE2 3.67Å; W168-F172 HydrophobicContact CZ2-CG 4.4Å; W168-F172 HydrophobicContact CZ2-CZ 4.23Å; W168-F172 HydrophobicContact CZ3-CD2 4.25Å; W168-F172 AromaticContact CZ3-CE2 3.53Å; W168-F172 HydrophobicContact CZ3-CE2 3.53Å; W168-F172 HydrophobicContact CZ3-CZ 4.2Å; W168-F172 AromaticContact NE1-CD2 3.64Å; W168-F172 WeakPolarHBondContact O-CD2 3.31Å; W168-F172 PolarHBondContact O-N 3.35Å
169R93.8Very high93.7Very high48 Ų4868.4 Ų68.418%0.18133%0.332CS..Hα-helixtrans-66.2-34.9-179.2-68.8-171.474.4-148.9-9.1112.2N165 W166 E173 G174 F175N165-R169 VanDerWaalsContact O-CG 3.3Å; N165-R169 WeakPolarHBondContact O-CG 3.4Å; N165-R169 PolarHBondContact O-N 3.47Å; W166-R169 PolarHBondContact O-N 2.83Å; R169-E173 IonicContact CZ-OE2 3.28Å; R169-E173 VanDerWaalsContact CZ-OE2 3.28Å; R169-E173 IonicContact NE-OE1 3.56Å; R169-E173 IonicContact NE-OE2 2.75Å; R169-E173 PolarHBondContact NE-OE2 2.79Å; R169-E173 IonicContact NH2-OE2 2.93Å; R169-E173 PolarHBondContact NH2-OE2 3.05Å; R169-E173 CarbonylContact O-C 3.59Å; R169-E173 VanDerWaalsContact O-CA 3.28Å; R169-E173 WeakPolarHBondContact O-CA 3.44Å; R169-E173 VanDerWaalsContact O-CB 3.24Å; R169-E173 WeakPolarHBondContact O-CB 3.39Å; R169-E173 PolarHBondContact O-N 2.95Å; R169-G174 PolarHBondContact O-N 3.39Å; R169-G174 VanDerWaalsContact O-N 3.1Å; R169-F175 HydrophobicContact CB-CB 4.47Å; R169-F175 PolarHBondContact O-N 3.12Å
170F94.6Very high93.8Very high129 Ų12968.3 Ų68.357%0.56633%0.333SS*.Hα-helixtrans-62.4-47.6173.5179.5-112.1000111.2W166 I167 W168 G174 F175 F176W166-F170 WeakPolarHBondContact O-CB 3.41Å; W166-F170 PolarHBondContact O-N 2.81Å; I167-F170 PolarHBondContact O-N 2.88Å; W168-F170 VanDerWaalsContact C-N 3.32Å; W168-F170 PolarHBondContact O-N 3.21Å; F170-G174 WeakPolarHBondContact O-CA 3.5Å; F170-G174 PolarHBondContact O-N 3.37Å; F170-F175 WeakPolarHBondContact CA-O 3.25Å; F170-F175 PolarHBondContact N-O 3.17Å; F170-F176 HydrophobicContact CD2-CB 3.93Å; F170-F176 HydrophobicContact CD2-CD2 4.34Å; F170-F176 HydrophobicContact CD2-CG 4.39Å; F170-F176 HydrophobicContact CE2-CB 4.47Å
171Y95Very high93.8Very high183 Ų18368 Ų6872%0.71833%0.328SS*.Hα-helixtrans-70.3-43.9-177.6-174.1-95.7000113.6I167 W168I167-Y171 PolarHBondContact O-N 3.39Å; W168-Y171 PolarHBondContact O-N 2.84Å
172F95.4Very high93.8Very high121 Ų12170.1 Ų70.153%0.53134%0.342SS..Hα-helixtrans-96.8-26.2-173.2-71.2-75.4000114.8W168W168-F172 AromaticContact CD1-CD2 3.94Å; W168-F172 AromaticContact CD2-CD2 3.49Å; W168-F172 HydrophobicContact CD2-CD2 3.49Å; W168-F172 VanDerWaalsContact CD2-CD2 3.49Å; W168-F172 AromaticContact CD2-CE2 3.62Å; W168-F172 HydrophobicContact CD2-CE2 3.62Å; W168-F172 AromaticContact CE2-CD2 3.38Å; W168-F172 AromaticContact CE2-CE2 3.66Å; W168-F172 AromaticContact CE3-CD2 3.91Å; W168-F172 HydrophobicContact CE3-CD2 3.91Å; W168-F172 AromaticContact CE3-CE2 3.52Å; W168-F172 HydrophobicContact CE3-CE2 3.52Å; W168-F172 AromaticContact CG-CD2 3.88Å; W168-F172 HydrophobicContact CG-CD2 3.88Å; W168-F172 HydrophobicContact CG-CE2 4.41Å; W168-F172 HydrophobicContact CH2-CD2 4.19Å; W168-F172 AromaticContact CH2-CE2 3.61Å; W168-F172 HydrophobicContact CH2-CE2 3.61Å; W168-F172 HydrophobicContact CH2-CZ 4.02Å; W168-F172 AromaticContact CZ2-CD2 3.76Å; W168-F172 HydrophobicContact CZ2-CD2 3.76Å; W168-F172 AromaticContact CZ2-CE2 3.67Å; W168-F172 HydrophobicContact CZ2-CE2 3.67Å; W168-F172 HydrophobicContact CZ2-CG 4.4Å; W168-F172 HydrophobicContact CZ2-CZ 4.23Å; W168-F172 HydrophobicContact CZ3-CD2 4.25Å; W168-F172 AromaticContact CZ3-CE2 3.53Å; W168-F172 HydrophobicContact CZ3-CE2 3.53Å; W168-F172 HydrophobicContact CZ3-CZ 4.2Å; W168-F172 AromaticContact NE1-CD2 3.64Å; W168-F172 WeakPolarHBondContact O-CD2 3.31Å; W168-F172 PolarHBondContact O-N 3.35Å
173E94Very high94Very high99 Ų9968.6 Ų68.646%0.46334%0.337SS..Hα-helixtrans-114.5-9.8-176.2-53.4172.5-163.300112.5R169 F175R169-E173 IonicContact CZ-OE2 3.28Å; R169-E173 VanDerWaalsContact CZ-OE2 3.28Å; R169-E173 IonicContact NE-OE1 3.56Å; R169-E173 IonicContact NE-OE2 2.75Å; R169-E173 PolarHBondContact NE-OE2 2.79Å; R169-E173 IonicContact NH2-OE2 2.93Å; R169-E173 PolarHBondContact NH2-OE2 3.05Å; R169-E173 CarbonylContact O-C 3.59Å; R169-E173 VanDerWaalsContact O-CA 3.28Å; R169-E173 WeakPolarHBondContact O-CA 3.44Å; R169-E173 VanDerWaalsContact O-CB 3.24Å; R169-E173 WeakPolarHBondContact O-CB 3.39Å; R169-E173 PolarHBondContact O-N 2.95Å; E173-F175 HydrophobicContact CB-CB 4.22Å; E173-F175 PolarHBondContact O-N 3.35Å
174G92.2Very high94Very high60 Ų6066.8 Ų66.862%0.61933%0.327SS*.  trans65.110.9-171.200000113.8R169 F170R169-G174 PolarHBondContact O-N 3.39Å; R169-G174 VanDerWaalsContact O-N 3.1Å; F170-G174 WeakPolarHBondContact O-CA 3.5Å; F170-G174 PolarHBondContact O-N 3.37Å
175F90.9Very high94Very high86 Ų8666.7 Ų66.738%0.37733%0.327SS..  trans-88.3127-175.9179.6-84.1000110.8R169 F170 E173 D177R169-F175 HydrophobicContact CB-CB 4.47Å; R169-F175 PolarHBondContact O-N 3.12Å; F170-F175 WeakPolarHBondContact CA-O 3.25Å; F170-F175 PolarHBondContact N-O 3.17Å; E173-F175 HydrophobicContact CB-CB 4.22Å; E173-F175 PolarHBondContact O-N 3.35Å; F175-D177 HydrophobicContact CE1-CB 4.05Å; F175-D177 HydrophobicContact CZ-CB 4.25Å
176F91.3Very high94.1Very high107 Ų10769.4 Ų69.447%0.46934%0.344SS..  trans-144125176.8-174.9-107.1000111.1F170 L178 V181F170-F176 HydrophobicContact CD2-CB 3.93Å; F170-F176 HydrophobicContact CD2-CD2 4.34Å; F170-F176 HydrophobicContact CD2-CG 4.39Å; F170-F176 HydrophobicContact CE2-CB 4.47Å; F176-L178 HydrophobicContact CD1-CB 4.45Å; F176-L178 HydrophobicContact CE1-CB 3.85Å; F176-L178 HydrophobicContact CE1-CD1 3.7Å; F176-L178 HydrophobicContact CE1-CG 4.37Å; F176-L178 HydrophobicContact CZ-CD1 3.91Å; F176-V181 HydrophobicContact CD2-CG2 4.13Å; F176-V181 HydrophobicContact CE2-CB 4.09Å; F176-V181 HydrophobicContact CE2-CG1 4.04Å; F176-V181 HydrophobicContact CE2-CG2 3.68Å; F176-V181 HydrophobicContact CZ-CB 4.27Å; F176-V181 HydrophobicContact CZ-CG1 4.26Å; F176-V181 HydrophobicContact CZ-CG2 4.29Å
177D92.5Very high94.2Very high21 Ų2168.2 Ų68.211%0.11234%0.339CS..  trans-114.9102.5174.9-179.5-20000108.5H111 W120 F175 I179 A180 V181H111-D177 IonicContact CE1-OD1 3.39Å; H111-D177 PolarHBondContact CE1-OD1 3.16Å; H111-D177 IonicContact NE2-OD1 2.74Å; H111-D177 PolarHBondContact NE2-OD1 2.88Å; H111-D177 IonicContact NE2-OD2 3.47Å; W120-D177 VanDerWaalsContact CH2-OD2 3.27Å; W120-D177 WeakPolarHBondContact CH2-OD2 3.28Å; F175-D177 HydrophobicContact CE1-CB 4.05Å; F175-D177 HydrophobicContact CZ-CB 4.25Å; D177-I179 VanDerWaalsContact C-N 3.29Å; D177-I179 PolarHBondContact O-N 2.66Å; D177-I179 PolarHBondContact OD1-N 2.94Å; D177-I179 VanDerWaalsContact OD1-N 3.12Å; D177-A180 HydrophobicContact CB-CB 3.98Å; D177-A180 PolarHBondContact O-N 3.45Å; D177-A180 PolarHBondContact OD1-N 3.34Å; D177-A180 VanDerWaalsContact OD1-N 3.11Å; D177-V181 WeakPolarHBondContact O-CB 3.44Å; D177-V181 VanDerWaalsContact O-CG2 3.25Å; D177-V181 WeakPolarHBondContact O-CG2 3.46Å; D177-V181 PolarHBondContact O-N 2.84Å
178L93.8Very high94.2Very high107 Ų10763.3 Ų63.356%0.5632%0.315SS*.Hα-helixtrans-61.6-38.4-174.4-176.965.5000112F176 V181 V182F176-L178 HydrophobicContact CD1-CB 4.45Å; F176-L178 HydrophobicContact CE1-CB 3.85Å; F176-L178 HydrophobicContact CE1-CD1 3.7Å; F176-L178 HydrophobicContact CE1-CG 4.37Å; F176-L178 HydrophobicContact CZ-CD1 3.91Å; L178-V181 PolarHBondContact O-N 3.32Å; L178-V182 HydrophobicContact CD1-CG2 3.86Å; L178-V182 HydrophobicContact CG-CG2 4.26Å; L178-V182 WeakPolarHBondContact O-CB 3.49Å; L178-V182 VanDerWaalsContact O-CG2 3.26Å; L178-V182 WeakPolarHBondContact O-CG2 3.38Å; L178-V182 PolarHBondContact O-N 2.89Å
179I94.4Very high94.2Very high15 Ų1563.7 Ų63.78%0.07732%0.323CS..Hα-helixtrans-63.6-50.7179.5-68.6-177.9000109.5W120 T121 I124 Y125 D177 V181 A183W120-I179 HydrophobicContact CZ3-CG2 4.46Å; T121-I179 HydrophobicContact CG2-CD1 4.42Å; T121-I179 HydrophobicContact CG2-CG2 4.32Å; I124-I179 HydrophobicContact CG2-CG2 4.08Å; Y125-I179 HydrophobicContact CE1-CG2 3.67Å; D177-I179 VanDerWaalsContact C-N 3.29Å; D177-I179 PolarHBondContact O-N 2.66Å; D177-I179 PolarHBondContact OD1-N 2.94Å; D177-I179 VanDerWaalsContact OD1-N 3.12Å; I179-V181 PolarHBondContact O-N 3.39Å; I179-A183 VanDerWaalsContact O-CB 3.28Å; I179-A183 WeakPolarHBondContact O-CB 3.41Å; I179-A183 PolarHBondContact O-N 3.37Å
180A94Very high94.2Very high6 Ų663.9 Ų63.95%0.0533%0.327CS..Hα-helixtrans-62.5-42.3179.800000112.2W166 D177 G184W166-A180 WeakPolarHBondContact CH2-O 3.28Å; W166-A180 HydrophobicContact CZ2-CB 4.07Å; D177-A180 HydrophobicContact CB-CB 3.98Å; D177-A180 PolarHBondContact O-N 3.45Å; D177-A180 PolarHBondContact OD1-N 3.34Å; D177-A180 VanDerWaalsContact OD1-N 3.11Å; A180-G184 PolarHBondContact O-N 3.43Å
181V94.8Very high94.1Very high24 Ų2457.7 Ų57.715%0.14530%0.3CS..Hα-helixtrans-66.4-51.2-179.1171.40000111.3W166 F176 D177 L178 I179 A183 G184 V185W166-V181 HydrophobicContact CB-CG2 3.93Å; W166-V181 HydrophobicContact CD2-CG2 3.8Å; W166-V181 HydrophobicContact CE3-CB 4.24Å; W166-V181 HydrophobicContact CE3-CG2 3.75Å; W166-V181 HydrophobicContact CG-CG2 3.88Å; F176-V181 HydrophobicContact CD2-CG2 4.13Å; F176-V181 HydrophobicContact CE2-CB 4.09Å; F176-V181 HydrophobicContact CE2-CG1 4.04Å; F176-V181 HydrophobicContact CE2-CG2 3.68Å; F176-V181 HydrophobicContact CZ-CB 4.27Å; F176-V181 HydrophobicContact CZ-CG1 4.26Å; F176-V181 HydrophobicContact CZ-CG2 4.29Å; D177-V181 WeakPolarHBondContact O-CB 3.44Å; D177-V181 VanDerWaalsContact O-CG2 3.25Å; D177-V181 WeakPolarHBondContact O-CG2 3.46Å; D177-V181 PolarHBondContact O-N 2.84Å; L178-V181 PolarHBondContact O-N 3.32Å; I179-V181 PolarHBondContact O-N 3.39Å; V181-A183 PolarHBondContact O-N 2.93Å; V181-G184 PolarHBondContact O-N 3.29Å; V181-G184 VanDerWaalsContact O-N 3.16Å; V181-V185 HydrophobicContact CG1-CG2 4.46Å; V181-V185 WeakPolarHBondContact O-CG2 3.38Å; V181-V185 PolarHBondContact O-N 2.75Å
182V95.3Very high93.9Very high79 Ų7952.2 Ų52.248%0.47929%0.288SS..Hα-helixtrans-61.4-46.5-179.3172.60000110.6L178 G184 V185 V186L178-V182 HydrophobicContact CD1-CG2 3.86Å; L178-V182 HydrophobicContact CG-CG2 4.26Å; L178-V182 WeakPolarHBondContact O-CB 3.49Å; L178-V182 VanDerWaalsContact O-CG2 3.26Å; L178-V182 WeakPolarHBondContact O-CG2 3.38Å; L178-V182 PolarHBondContact O-N 2.89Å; V182-G184 VanDerWaalsContact C-N 3.3Å; V182-G184 PolarHBondContact O-N 3.32Å; V182-V185 PolarHBondContact O-N 2.96Å; V182-V186 WeakPolarHBondContact O-CG2 3.37Å; V182-V186 PolarHBondContact O-N 3.32Å
183A95.8Very high93.5Very high4 Ų451.3 Ų51.33%0.03329%0.289CS..Hα-helixtrans-62-37.8176.500000112.1I124 Y125 S128 I179 V181 V186 Q187I124-A183 HydrophobicContact CG2-CB 3.52Å; Y125-A183 HydrophobicContact CD1-CB 4.2Å; S128-A183 VanDerWaalsContact CB-O 3.25Å; S128-A183 WeakPolarHBondContact CB-O 3.29Å; I179-A183 VanDerWaalsContact O-CB 3.28Å; I179-A183 WeakPolarHBondContact O-CB 3.41Å; I179-A183 PolarHBondContact O-N 3.37Å; V181-A183 PolarHBondContact O-N 2.93Å; A183-V186 PolarHBondContact O-N 3.45Å; A183-Q187 WeakPolarHBondContact O-CB 3.47Å; A183-Q187 PolarHBondContact O-N 3.26Å
184G94.9Very high93.2Very high0 Ų047.1 Ų47.10%027%0.269CS..Hα-helixtrans-69.3-33.8175.400000114.6A180 V181 V182 T188A180-G184 PolarHBondContact O-N 3.43Å; V181-G184 PolarHBondContact O-N 3.29Å; V181-G184 VanDerWaalsContact O-N 3.16Å; V182-G184 VanDerWaalsContact C-N 3.3Å; V182-G184 PolarHBondContact O-N 3.32Å; G184-T188 WeakPolarHBondContact O-CB 3.38Å; G184-T188 PolarHBondContact O-N 3.48Å; G184-T188 PolarHBondContact O-OG1 2.86Å
185V95.3Very high93.1Very high60 Ų6045.8 Ų45.836%0.36425%0.246SC..Hα-helixtrans-64.3-50.1171.4170.80000109.9L163 V181 V182 Q187 T188 I189L163-V185 HydrophobicContact CD2-CG2 3.58Å; V181-V185 HydrophobicContact CG1-CG2 4.46Å; V181-V185 WeakPolarHBondContact O-CG2 3.38Å; V181-V185 PolarHBondContact O-N 2.75Å; V182-V185 PolarHBondContact O-N 2.96Å; V185-Q187 VanDerWaalsContact C-N 3.3Å; V185-Q187 PolarHBondContact O-N 3.43Å; V185-T188 PolarHBondContact O-N 3.46Å; V185-T188 VanDerWaalsContact O-N 3.16Å; V185-I189 HydrophobicContact CG1-CD1 3.71Å; V185-I189 HydrophobicContact CG1-CG1 4.37Å; V185-I189 WeakPolarHBondContact O-CG1 3.37Å; V185-I189 PolarHBondContact O-N 2.92Å
186V95.9Very high93Very high61 Ų6149 Ų4937%0.3726%0.257SS..Hα-helixtrans-53.9-49.2176170.90000110.7V182 A183 T188 I189 L190V182-V186 WeakPolarHBondContact O-CG2 3.37Å; V182-V186 PolarHBondContact O-N 3.32Å; A183-V186 PolarHBondContact O-N 3.45Å; V186-T188 VanDerWaalsContact C-N 3.35Å; V186-T188 PolarHBondContact O-N 3.16Å; V186-I189 PolarHBondContact O-N 3.35Å; V186-L190 WeakPolarHBondContact O-CG 3.3Å; V186-L190 PolarHBondContact O-N 3.13Å; V186-L190 VanDerWaalsContact O-N 3.13Å
187Q95.1Very high92.8Very high0 Ų044.5 Ų44.50%024%0.238CC..Hα-helixtrans-59.6-45.7179.4-162.4173-5.400112E127 Y158 R159 A183 V185 I189 L190 Y191E127-Q187 PolarHBondContact O-NE2 3.29Å; Y158-Q187 PolarHBondContact OH-NE2 2.96Å; R159-Q187 HydrophobicContact CG-CB 4.42Å; R159-Q187 HydrophobicContact CG-CG 3.95Å; R159-Q187 VanDerWaalsContact CZ-OE1 3.29Å; A183-Q187 WeakPolarHBondContact O-CB 3.47Å; A183-Q187 PolarHBondContact O-N 3.26Å; V185-Q187 VanDerWaalsContact C-N 3.3Å; V185-Q187 PolarHBondContact O-N 3.43Å; Q187-I189 VanDerWaalsContact C-N 3.35Å; Q187-I189 PolarHBondContact O-N 2.91Å; Q187-L190 PolarHBondContact O-N 3.24Å; Q187-Y191 HydrophobicContact CG-CD2 4.48Å; Q187-Y191 HydrophobicContact CG-CE2 4.1Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.23Å; Q187-Y191 PolarHBondContact O-N 3.08Å
188T94Very high92.5Very high19 Ų1944 Ų4412%0.11723%0.234CC..Hα-helixtrans-65.9-39-178.8-55.40000111.4L163 G184 V185 V186 L190 Y191 C192L163-T188 HydrophobicContact CD1-CG2 3.85Å; L163-T188 VanDerWaalsContact CD1-OG1 3.23Å; L163-T188 WeakPolarHBondContact CD1-OG1 3.46Å; G184-T188 WeakPolarHBondContact O-CB 3.38Å; G184-T188 PolarHBondContact O-N 3.48Å; G184-T188 PolarHBondContact O-OG1 2.86Å; V185-T188 PolarHBondContact O-N 3.46Å; V185-T188 VanDerWaalsContact O-N 3.16Å; V186-T188 VanDerWaalsContact C-N 3.35Å; V186-T188 PolarHBondContact O-N 3.16Å; T188-L190 VanDerWaalsContact C-N 3.29Å; T188-L190 PolarHBondContact O-N 3.45Å; T188-Y191 PolarHBondContact O-N 3.22Å; T188-C192 PolarHBondContact O-N 3.11Å; T188-C192 PolarHBondContact O-SG 3.12Å
189I95.1Very high92.3Very high108 Ų10843.3 Ų43.355%0.55423%0.23SC*.Hα-helixtrans-59.1-41.4175.3-70.9169.2000111.1V185 V186 Q187 Y191 C192V185-I189 HydrophobicContact CG1-CD1 3.71Å; V185-I189 HydrophobicContact CG1-CG1 4.37Å; V185-I189 WeakPolarHBondContact O-CG1 3.37Å; V185-I189 PolarHBondContact O-N 2.92Å; V186-I189 PolarHBondContact O-N 3.35Å; Q187-I189 VanDerWaalsContact C-N 3.35Å; Q187-I189 PolarHBondContact O-N 2.91Å; I189-Y191 PolarHBondContact O-N 3.47Å; I189-C192 VanDerWaalsContact O-CB 3.31Å; I189-C192 WeakPolarHBondContact O-CB 3.32Å; I189-C192 PolarHBondContact O-N 3.07Å
190L93.7Very high92Very high52 Ų5244.8 Ų44.827%0.27224%0.24SC..Hα-helixtrans-63.1-24.3177-68.9176.1000113.3S128 V129 L132 L135 V186 Q187 T188S128-L190 VanDerWaalsContact O-CD1 3.28Å; S128-L190 WeakPolarHBondContact O-CD1 3.44Å; V129-L190 HydrophobicContact CG1-CD1 4.43Å; L132-L190 HydrophobicContact CD2-CD1 3.85Å; L132-L190 HydrophobicContact CD2-CD2 3.78Å; L132-L190 HydrophobicContact CD2-CG 4.38Å; L132-L190 HydrophobicContact CG-CD1 4.13Å; L135-L190 WeakPolarHBondContact CD1-O 3.48Å; V186-L190 WeakPolarHBondContact O-CG 3.3Å; V186-L190 PolarHBondContact O-N 3.13Å; V186-L190 VanDerWaalsContact O-N 3.13Å; Q187-L190 PolarHBondContact O-N 3.24Å; T188-L190 VanDerWaalsContact C-N 3.29Å; T188-L190 PolarHBondContact O-N 3.45Å
191Y91.8Very high91.7Very high0 Ų046.9 Ų46.90%025%0.248CC..Hα-helixtrans-88.2-11.2173.9-75.4-80.5000114I131 L152 L155 Q187 T188 I189 D193 F194 F195I131-Y191 WeakPolarHBondContact CB-OH 3.36Å; I131-Y191 HydrophobicContact CG1-CE1 3.94Å; I131-Y191 VanDerWaalsContact CG1-OH 3.24Å; I131-Y191 WeakPolarHBondContact CG1-OH 3.08Å; I131-Y191 HydrophobicContact CG2-CE2 4.05Å; L152-Y191 HydrophobicContact CD2-CE1 4.37Å; L155-Y191 WeakPolarHBondContact CD2-OH 3.46Å; L155-Y191 WeakPolarHBondContact CG-OH 3.14Å; Q187-Y191 HydrophobicContact CG-CD2 4.48Å; Q187-Y191 HydrophobicContact CG-CE2 4.1Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.23Å; Q187-Y191 PolarHBondContact O-N 3.08Å; T188-Y191 PolarHBondContact O-N 3.22Å; I189-Y191 PolarHBondContact O-N 3.47Å; Y191-D193 PolarHBondContact O-N 2.87Å; Y191-F194 HydrophobicContact CD1-CD1 4.43Å; Y191-F194 WeakPolarHBondContact O-CB 3.28Å; Y191-F194 PolarHBondContact O-N 3.39Å; Y191-F195 VanDerWaalsContact O-CD2 3.25Å; Y191-F195 WeakPolarHBondContact O-CD2 3.25Å; Y191-F195 WeakPolarHBondContact O-CG 3.46Å; Y191-F195 PolarHBondContact O-N 2.98Å
192C91.4Very high91.3Very high68 Ų6846.5 Ų46.546%0.45925%0.246SC..Hα-helixtrans-57.4-47.4-173.6-77.20000113.3T188 I189 F194 F195 Y196T188-C192 PolarHBondContact O-N 3.11Å; T188-C192 PolarHBondContact O-SG 3.12Å; I189-C192 VanDerWaalsContact O-CB 3.31Å; I189-C192 WeakPolarHBondContact O-CB 3.32Å; I189-C192 PolarHBondContact O-N 3.07Å; C192-F194 VanDerWaalsContact C-N 3.35Å; C192-F195 PolarHBondContact O-N 2.95Å; C192-Y196 PolarHBondContact O-N 3.07Å
193D86.6Confident90.8Very high102 Ų10248 Ų4855%0.54525%0.25SS..Hα-helixtrans-65.3-41.1179.2-17340.2000111.4Y191 F195 Y196 L197Y191-D193 PolarHBondContact O-N 2.87Å; D193-F195 PolarHBondContact O-N 2.98Å; D193-Y196 PolarHBondContact O-N 3.19Å; D193-L197 WeakPolarHBondContact O-CG 3.27Å; D193-L197 PolarHBondContact O-N 2.89Å
194F88.5Confident90.4Very high10 Ų1055.1 Ų55.14%0.04428%0.28CS..Hα-helixtrans-59.3-45173.7175-93.8000111.9L135 T149 L152 F153 Y191 C192 Y196 L197 Y198 L208L135-F194 HydrophobicContact CD2-CB 4.43Å; T149-F194 HydrophobicContact CG2-CE2 4.26Å; T149-F194 HydrophobicContact CG2-CZ 4.5Å; T149-F194 VanDerWaalsContact O-CZ 3.29Å; T149-F194 WeakPolarHBondContact O-CZ 3.42Å; L152-F194 HydrophobicContact CB-CD1 4.05Å; L152-F194 HydrophobicContact CB-CD2 4.31Å; L152-F194 HydrophobicContact CB-CE1 3.46Å; L152-F194 VanDerWaalsContact CB-CE1 3.46Å; L152-F194 HydrophobicContact CB-CE2 3.75Å; L152-F194 HydrophobicContact CB-CG 4.46Å; L152-F194 HydrophobicContact CB-CZ 3.31Å; L152-F194 HydrophobicContact CD1-CD2 3.89Å; L152-F194 HydrophobicContact CD1-CE2 3.5Å; L152-F194 VanDerWaalsContact CD1-CE2 3.5Å; L152-F194 HydrophobicContact CD1-CZ 3.99Å; L152-F194 HydrophobicContact CG-CE2 4.28Å; L152-F194 HydrophobicContact CG-CZ 4.29Å; F153-F194 HydrophobicContact CB-CE1 4.2Å; Y191-F194 HydrophobicContact CD1-CD1 4.43Å; Y191-F194 WeakPolarHBondContact O-CB 3.28Å; Y191-F194 PolarHBondContact O-N 3.39Å; C192-F194 VanDerWaalsContact C-N 3.35Å; F194-Y196 PolarHBondContact O-N 3.38Å; F194-L197 PolarHBondContact O-N 3.14Å; F194-Y198 HydrophobicContact CE1-CD2 4.33Å; F194-Y198 HydrophobicContact CE1-CG 4.42Å; F194-Y198 AromaticContact CZ-CD2 3.96Å; F194-Y198 HydrophobicContact CZ-CD2 3.96Å; F194-Y198 HydrophobicContact CZ-CG 4.41Å; F194-Y198 VanDerWaalsContact O-CB 3.24Å; F194-Y198 WeakPolarHBondContact O-CB 3.48Å; F194-Y198 PolarHBondContact O-N 3.16Å; F194-L208 HydrophobicContact CE2-CD1 4.34Å; F194-L208 HydrophobicContact CE2-CD2 4.38Å
195F90Very high89.9Confident33 Ų3358.6 Ų58.615%0.14532%0.317CS..Hα-helixtrans-62.4-43.4177.3-69.2-44.3000112.5F153 G156 Y191 C192 D193 L197 Y198 I199F153-F195 HydrophobicContact CD2-CD1 4.06Å; F153-F195 HydrophobicContact CD2-CE1 4.13Å; F153-F195 HydrophobicContact CE2-CD1 4.45Å; G156-F195 VanDerWaalsContact CA-CZ 3.41Å; Y191-F195 VanDerWaalsContact O-CD2 3.25Å; Y191-F195 WeakPolarHBondContact O-CD2 3.25Å; Y191-F195 WeakPolarHBondContact O-CG 3.46Å; Y191-F195 PolarHBondContact O-N 2.98Å; C192-F195 PolarHBondContact O-N 2.95Å; D193-F195 PolarHBondContact O-N 2.98Å; F195-L197 VanDerWaalsContact C-N 3.35Å; F195-L197 PolarHBondContact O-N 2.83Å; F195-Y198 PolarHBondContact O-N 3.16Å; F195-I199 WeakPolarHBondContact O-CB 3.32Å; F195-I199 VanDerWaalsContact O-CG1 3.3Å; F195-I199 WeakPolarHBondContact O-CG1 3.49Å; F195-I199 PolarHBondContact O-N 2.75Å
196Y89.9Confident89.2Confident152 Ų15262.6 Ų62.660%0.59633%0.329SS*.Hα-helixtrans-57.6-49.3176.9173.9-104.2000111C192 D193 F194 T200C192-Y196 PolarHBondContact O-N 3.07Å; D193-Y196 PolarHBondContact O-N 3.19Å; F194-Y196 PolarHBondContact O-N 3.38Å; Y196-T200 HydrophobicContact CD2-CG2 4.11Å; Y196-T200 HydrophobicContact CE2-CG2 3.79Å; Y196-T200 WeakPolarHBondContact O-CB 3.4Å; Y196-T200 VanDerWaalsContact O-CG2 3.28Å; Y196-T200 WeakPolarHBondContact O-CG2 3.24Å; Y196-T200 PolarHBondContact O-N 2.88Å; Y196-T200 PolarHBondContact O-OG1 3.1Å
197L85.5Confident88.1Confident13 Ų1365.9 Ų65.97%0.06834%0.339CS..Hα-helixtrans-67-38.1178.4-67171.7000112.7D193 F194 F195 K201 L208 L210D193-L197 WeakPolarHBondContact O-CG 3.27Å; D193-L197 PolarHBondContact O-N 2.89Å; F194-L197 PolarHBondContact O-N 3.14Å; F195-L197 VanDerWaalsContact C-N 3.35Å; F195-L197 PolarHBondContact O-N 2.83Å; L197-K201 HydrophobicContact CD2-CD 4.45Å; L197-K201 VanDerWaalsContact O-CB 3.27Å; L197-K201 WeakPolarHBondContact O-CB 3.28Å; L197-K201 PolarHBondContact O-N 3.26Å; L197-L208 HydrophobicContact CB-CD1 3.55Å; L197-L210 HydrophobicContact CD1-CD2 3.36Å
198Y86.9Confident87Confident11 Ų1166.2 Ų66.24%0.04334%0.34CS..Hα-helixtrans-62.1-48.3177-178.7-92.5000111.7H150 F153 F194 F195 V202 L203H150-Y198 PolarHBondContact CE1-OH 3.01Å; H150-Y198 AromaticContact ND1-CE2 3.8Å; H150-Y198 AromaticContact ND1-CZ 3.72Å; H150-Y198 PolarHBondContact ND1-OH 2.93Å; F153-Y198 HydrophobicContact CB-CD1 4.39Å; F153-Y198 HydrophobicContact CB-CD2 4.25Å; F153-Y198 HydrophobicContact CB-CE1 4.08Å; F153-Y198 HydrophobicContact CB-CE2 3.95Å; F153-Y198 HydrophobicContact CB-CG 4.46Å; F153-Y198 HydrophobicContact CD1-CE1 4.28Å; F153-Y198 AromaticContact CD2-CD1 3.46Å; F153-Y198 HydrophobicContact CD2-CD1 3.46Å; F153-Y198 VanDerWaalsContact CD2-CD1 3.46Å; F153-Y198 AromaticContact CD2-CE1 3.4Å; F153-Y198 HydrophobicContact CD2-CE1 3.4Å; F153-Y198 VanDerWaalsContact CD2-CE1 3.4Å; F153-Y198 HydrophobicContact CD2-CG 4.15Å; F153-Y198 AromaticContact CE2-CD1 3.99Å; F153-Y198 HydrophobicContact CE2-CD1 3.99Å; F153-Y198 AromaticContact CE2-CE1 3.86Å; F153-Y198 HydrophobicContact CE2-CE1 3.86Å; F153-Y198 HydrophobicContact CG-CD1 4.08Å; F153-Y198 AromaticContact CG-CE1 3.64Å; F153-Y198 HydrophobicContact CG-CE1 3.64Å; F153-Y198 HydrophobicContact CG-CE2 4.4Å; F153-Y198 AromaticContact CG-CZ 3.82Å; F153-Y198 HydrophobicContact CZ-CE1 4.46Å; F194-Y198 HydrophobicContact CE1-CD2 4.33Å; F194-Y198 HydrophobicContact CE1-CG 4.42Å; F194-Y198 AromaticContact CZ-CD2 3.96Å; F194-Y198 HydrophobicContact CZ-CD2 3.96Å; F194-Y198 HydrophobicContact CZ-CG 4.41Å; F194-Y198 VanDerWaalsContact O-CB 3.24Å; F194-Y198 WeakPolarHBondContact O-CB 3.48Å; F194-Y198 PolarHBondContact O-N 3.16Å; F195-Y198 PolarHBondContact O-N 3.16Å; Y198-V202 HydrophobicContact CD2-CB 3.79Å; Y198-V202 HydrophobicContact CD2-CG1 3.94Å; Y198-V202 HydrophobicContact CD2-CG2 4Å; Y198-V202 HydrophobicContact CE2-CB 4.08Å; Y198-V202 HydrophobicContact CE2-CG1 3.72Å; Y198-V202 HydrophobicContact CG-CB 4.29Å; Y198-V202 WeakPolarHBondContact O-CA 3.35Å; Y198-V202 WeakPolarHBondContact O-CB 3.25Å; Y198-V202 PolarHBondContact O-N 2.91Å; Y198-L203 HydrophobicContact CD1-CD2 4.48Å; Y198-L203 HydrophobicContact CD1-CG 4.17Å; Y198-L203 HydrophobicContact CE1-CD1 4.35Å; Y198-L203 HydrophobicContact CE1-CD2 3.7Å; Y198-L203 HydrophobicContact CE1-CG 3.88Å; Y198-L203 PolarHBondContact O-N 3.27Å
199I89.6Confident85.9Confident93 Ų9367.6 Ų67.648%0.47735%0.351SS..Hα-helixtrans-68-42.4-179.2-67.1167.8000111F195 L203F195-I199 WeakPolarHBondContact O-CB 3.32Å; F195-I199 VanDerWaalsContact O-CG1 3.3Å; F195-I199 WeakPolarHBondContact O-CG1 3.49Å; F195-I199 PolarHBondContact O-N 2.75Å; I199-L203 HydrophobicContact CB-CD1 4.42Å; I199-L203 HydrophobicContact CG1-CD1 4.24Å; I199-L203 HydrophobicContact CG2-CD1 4.45Å
200T88.8Confident84.5Confident45 Ų4564.8 Ų64.828%0.27634%0.337SS..Hα-helixtrans-80-30-174.756.80000113.7Y196 K204Y196-T200 HydrophobicContact CD2-CG2 4.11Å; Y196-T200 HydrophobicContact CE2-CG2 3.79Å; Y196-T200 WeakPolarHBondContact O-CB 3.4Å; Y196-T200 VanDerWaalsContact O-CG2 3.28Å; Y196-T200 WeakPolarHBondContact O-CG2 3.24Å; Y196-T200 PolarHBondContact O-N 2.88Å; Y196-T200 PolarHBondContact O-OG1 3.1Å; T200-K204 VanDerWaalsContact O-CD 3.32Å; T200-K204 WeakPolarHBondContact O-CD 3.26Å
201K86Confident82.9Confident50 Ų5067.4 Ų67.422%0.21736%0.356CS..THydrogen-bonded Turntrans-109.7-60.4-177.6-58.9-170176.1-172.40112.7L197 K204 G205 K206 S209L197-K201 HydrophobicContact CD2-CD 4.45Å; L197-K201 VanDerWaalsContact O-CB 3.27Å; L197-K201 WeakPolarHBondContact O-CB 3.28Å; L197-K201 PolarHBondContact O-N 3.26Å; K201-K204 CarbonylContact O-C 3.44Å; K201-K204 WeakPolarHBondContact O-CA 3.45Å; K201-K204 PolarHBondContact O-N 3.46Å; K201-K204 VanDerWaalsContact O-N 3.09Å; K201-G205 PolarHBondContact O-N 3.39Å; K201-K206 CarbonylContact C-O 3.52Å; K201-K206 HydrophobicContact CB-CB 4.13Å; K201-K206 WeakPolarHBondContact O-CB 3.44Å; K201-K206 PolarHBondContact O-N 2.88Å; K201-S209 PolarHBondContact NZ-O 3.38Å
202V86.4Confident81Confident16 Ų1675.8 Ų75.810%0.09743%0.426CS..G310 helixtrans-66-45.7-169.6-178.60000112T146 T149 Y198 K204 G205 K206 L208T146-V202 HydrophobicContact CG2-CG1 4.28Å; T149-V202 HydrophobicContact CG2-CG2 4.24Å; Y198-V202 HydrophobicContact CD2-CB 3.79Å; Y198-V202 HydrophobicContact CD2-CG1 3.94Å; Y198-V202 HydrophobicContact CD2-CG2 4Å; Y198-V202 HydrophobicContact CE2-CB 4.08Å; Y198-V202 HydrophobicContact CE2-CG1 3.72Å; Y198-V202 HydrophobicContact CG-CB 4.29Å; Y198-V202 WeakPolarHBondContact O-CA 3.35Å; Y198-V202 WeakPolarHBondContact O-CB 3.25Å; Y198-V202 PolarHBondContact O-N 2.91Å; V202-K204 PolarHBondContact O-N 3.06Å; V202-K204 VanDerWaalsContact O-N 3.17Å; V202-G205 PolarHBondContact O-N 3.17Å; V202-K206 WeakPolarHBondContact CA-O 3.4Å; V202-L208 HydrophobicContact CG2-CB 3.94Å; V202-L208 HydrophobicContact CG2-CD1 4Å
203L85.8Confident80.5Confident110 Ų11076.2 Ų76.258%0.57642%0.424SS*.G310 helixtrans-63.7-21.3176.6-67.2-175.6000113.2Y198 I199 G205Y198-L203 HydrophobicContact CD1-CD2 4.48Å; Y198-L203 HydrophobicContact CD1-CG 4.17Å; Y198-L203 HydrophobicContact CE1-CD1 4.35Å; Y198-L203 HydrophobicContact CE1-CD2 3.7Å; Y198-L203 HydrophobicContact CE1-CG 3.88Å; Y198-L203 PolarHBondContact O-N 3.27Å; I199-L203 HydrophobicContact CB-CD1 4.42Å; I199-L203 HydrophobicContact CG1-CD1 4.24Å; I199-L203 HydrophobicContact CG2-CD1 4.45Å; L203-G205 VanDerWaalsContact C-N 3.3Å
204K87.5Confident80.2Confident154 Ų15474.8 Ų74.867%0.6742%0.418SS*.G310 helixtrans-90.911.2173.9-57.8-168.8-174.5177.60112.9T200 K201 V202 K206T200-K204 VanDerWaalsContact O-CD 3.32Å; T200-K204 WeakPolarHBondContact O-CD 3.26Å; K201-K204 CarbonylContact O-C 3.44Å; K201-K204 WeakPolarHBondContact O-CA 3.45Å; K201-K204 PolarHBondContact O-N 3.46Å; K201-K204 VanDerWaalsContact O-N 3.09Å; V202-K204 PolarHBondContact O-N 3.06Å; V202-K204 VanDerWaalsContact O-N 3.17Å; K204-K206 VanDerWaalsContact C-N 3.26Å; K204-K206 PolarHBondContact O-N 3.38Å
205G83.4Confident79.8Confident74 Ų7478.4 Ų78.476%0.76344%0.438SS*.THydrogen-bonded Turntrans73.810.1-179.100000114.8K201 V202 L203K201-G205 PolarHBondContact O-N 3.39Å; V202-G205 PolarHBondContact O-N 3.17Å; L203-G205 VanDerWaalsContact C-N 3.3Å
206K80.4Confident79.1Confident143 Ų14381.1 Ų81.162%0.62246%0.456SS*.  trans-88.9144.1174.8-60-174.8179-173.70109.7K201 V202 K204K201-K206 CarbonylContact C-O 3.52Å; K201-K206 HydrophobicContact CB-CB 4.13Å; K201-K206 WeakPolarHBondContact O-CB 3.44Å; K201-K206 PolarHBondContact O-N 2.88Å; V202-K206 WeakPolarHBondContact CA-O 3.4Å; K204-K206 VanDerWaalsContact C-N 3.26Å; K204-K206 PolarHBondContact O-N 3.38Å
207K74.7Confident78.5Confident131 Ų13176.6 Ų76.657%0.5745%0.447SS*.  trans-60.6146.4172-70.2-175.5169.3-167.70110.7E143 S209E143-K207 IonicContact OE1-NZ 3.99Å; E143-K207 IonicContact OE2-NZ 2.99Å; E143-K207 PolarHBondContact OE2-NZ 3.33Å; K207-S209 VanDerWaalsContact C-N 3.29Å; K207-S209 PolarHBondContact O-N 3.37Å
208L70.5Confident78Confident6 Ų680.9 Ų80.93%0.03147%0.472CS..EExtended strand (participates in β ladder)trans-74.188.7168.9-169.5105.4000108I138 E143 A144 T149 F194 L197 V202I138-L208 HydrophobicContact CG2-CD2 3.93Å; E143-L208 WeakPolarHBondContact CA-O 3.33Å; A144-L208 HydrophobicContact CB-CD2 3.84Å; A144-L208 PolarHBondContact N-O 3.03Å; T149-L208 HydrophobicContact CG2-CB 3.95Å; T149-L208 HydrophobicContact CG2-CD2 4.2Å; T149-L208 HydrophobicContact CG2-CG 4.45Å; F194-L208 HydrophobicContact CE2-CD1 4.34Å; F194-L208 HydrophobicContact CE2-CD2 4.38Å; L197-L208 HydrophobicContact CB-CD1 3.55Å; V202-L208 HydrophobicContact CG2-CB 3.94Å; V202-L208 HydrophobicContact CG2-CD1 4Å
209S71.1Confident77.4Confident48 Ų4885.9 Ų85.934%0.33650%0.503SS..EExtended strand (participates in β ladder)trans-102.7137.2165.458.30000109.7G142 K201 K207G142-S209 VanDerWaalsContact O-CA 3.3Å; G142-S209 WeakPolarHBondContact O-CA 3.42Å; K201-S209 PolarHBondContact NZ-O 3.38Å; K207-S209 VanDerWaalsContact C-N 3.29Å; K207-S209 PolarHBondContact O-N 3.37Å
210L65.7Low76.4Confident50 Ų5085.3 Ų85.326%0.26251%0.505SS..PPolyproline II helixtrans-79.8142.2171.2-70.3162000109.1S139 G142 L197 A212S139-L210 VanDerWaalsContact CA-CD1 3.43Å; G142-L210 PolarHBondContact O-N 3.39Å; L197-L210 HydrophobicContact CD1-CD2 3.36Å; L210-A212 PolarHBondContact O-N 3.2Å
211P60.1Low75.4Confident106 Ų10688.7 Ų88.769%0.68852%0.524SS*.PPolyproline II helixtrans-59134.516926.4-30.6000108.6
212A53.4Low74.4Confident176 Ų17692.2 Ų92.2100%1.45555%0.552SS**  trans-61.50178.300000112.2L210L210-A212 PolarHBondContact O-N 3.2Å

Retrieved 212 of 212 residues in 1830.3 ms (Link to these results)

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