A0A096MT12_PAPAN Loading...

Sugar transporter SWEET

Mediates sugar transport across membranes. May stimulate V(D)J recombination by the activation of RAG1.

AlphaFold DB , UniProt , Accession A0A096MT12, Species PAPAN (Papio anubis, Olive baboon), Gene SLC50A1, Length 221 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
1M49.4Very low75.8Confident240 Ų24091.9 Ų91.9100%1.18252%0.521SS*.  0-3.80-83.6164.663.600113.7
2E55.1Low77Confident177 Ų17789.8 Ų89.883%0.82750%0.499SS*.Hα-helixtrans-88.7-29.2-176.9-67.8174152.700114.9G4 G5 F6E2-G4 VanDerWaalsContact C-N 3.28Å; E2-G4 PolarHBondContact O-N 2.85Å; E2-G5 PolarHBondContact O-N 3.06Å; E2-F6 PolarHBondContact O-N 3.28Å
3A59Low78.1Confident70 Ų7085.5 Ų85.558%0.57949%0.488SS*.Hα-helixtrans-62.4-32.7-17700000113.6L7A3-L7 WeakPolarHBondContact O-CB 3.44Å; A3-L7 VanDerWaalsContact O-CG 3.29Å; A3-L7 WeakPolarHBondContact O-CG 3.33Å; A3-L7 PolarHBondContact O-N 2.82Å; A3-L7 VanDerWaalsContact O-N 3.13Å
4G67.6Low79.1Confident33 Ų3381.1 Ų81.134%0.3447%0.467SS..Hα-helixtrans-66.2-44.4177.300000112.6E2 F6 L7 D8E2-G4 VanDerWaalsContact C-N 3.28Å; E2-G4 PolarHBondContact O-N 2.85Å; G4-F6 PolarHBondContact O-N 2.95Å; G4-L7 PolarHBondContact O-N 3.13Å; G4-D8 WeakPolarHBondContact O-CB 3.49Å; G4-D8 PolarHBondContact O-N 3.47Å
5G79.9Confident79.9Confident41 Ų4175.7 Ų75.742%0.42344%0.436SS..Hα-helixtrans-67.6-35.4-179.500000113.3E2 S9E2-G5 PolarHBondContact O-N 3.06Å; G5-S9 WeakPolarHBondContact O-CB 3.29Å; G5-S9 PolarHBondContact O-N 2.98Å; G5-S9 PolarHBondContact O-OG 3.08Å
6F83.8Confident80.7Confident137 Ų13773.3 Ų73.360%0.60142%0.423SS*.Hα-helixtrans-68.8-47.6175.6179.8-108.1000112E2 G4 D8 S9 L10E2-F6 PolarHBondContact O-N 3.28Å; G4-F6 PolarHBondContact O-N 2.95Å; F6-D8 VanDerWaalsContact C-N 3.32Å; F6-D8 PolarHBondContact O-N 3.35Å; F6-S9 PolarHBondContact O-N 2.81Å; F6-L10 HydrophobicContact CD1-CD1 3.93Å; F6-L10 HydrophobicContact CD1-CG 4.49Å; F6-L10 HydrophobicContact CE1-CD1 3.38Å; F6-L10 HydrophobicContact CE1-CG 4.1Å; F6-L10 HydrophobicContact CE2-CD1 4.49Å; F6-L10 HydrophobicContact CE2-CG 4.38Å; F6-L10 HydrophobicContact CZ-CD1 3.71Å; F6-L10 HydrophobicContact CZ-CD2 4.2Å; F6-L10 HydrophobicContact CZ-CG 4.04Å; F6-L10 WeakPolarHBondContact O-CG 3.43Å; F6-L10 PolarHBondContact O-N 2.92Å
7L85.1Confident81.4Confident97 Ų9774.4 Ų74.451%0.50843%0.431SS..Hα-helixtrans-60.4-42.1176.4-73.3169.4000111.7A3 G4 S9 L10 I11A3-L7 WeakPolarHBondContact O-CB 3.44Å; A3-L7 VanDerWaalsContact O-CG 3.29Å; A3-L7 WeakPolarHBondContact O-CG 3.33Å; A3-L7 PolarHBondContact O-N 2.82Å; A3-L7 VanDerWaalsContact O-N 3.13Å; G4-L7 PolarHBondContact O-N 3.13Å; L7-S9 VanDerWaalsContact C-N 3.34Å; L7-S9 PolarHBondContact O-N 3.35Å; L7-L10 PolarHBondContact O-N 3.32Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.25Å; L7-I11 PolarHBondContact O-N 3.44Å
8D85.1Confident82Confident22 Ų2273.8 Ų73.812%0.11842%0.423CS..Hα-helixtrans-61.1-44.9176.4-67.4-15.3000111G4 F6 L10 I11 Y12 R181G4-D8 WeakPolarHBondContact O-CB 3.49Å; G4-D8 PolarHBondContact O-N 3.47Å; F6-D8 VanDerWaalsContact C-N 3.32Å; F6-D8 PolarHBondContact O-N 3.35Å; D8-L10 VanDerWaalsContact C-N 3.33Å; D8-L10 PolarHBondContact O-N 3.05Å; D8-I11 PolarHBondContact O-N 3.18Å; D8-Y12 HydrophobicContact CB-CE1 4.28Å; D8-Y12 HydrophobicContact CB-CE2 4.23Å; D8-Y12 WeakPolarHBondContact O-CB 3.38Å; D8-Y12 WeakPolarHBondContact O-CD1 3.34Å; D8-Y12 PolarHBondContact O-N 3.45Å; D8-R181 WeakPolarHBondContact OD1-CD 3.48Å; D8-R181 IonicContact OD1-CZ 3.46Å; D8-R181 IonicContact OD1-NE 3.52Å; D8-R181 PolarHBondContact OD1-NE 2.69Å; D8-R181 IonicContact OD1-NH2 2.73Å; D8-R181 PolarHBondContact OD1-NH2 3.44Å; D8-R181 IonicContact OD2-CZ 2.63Å; D8-R181 IonicContact OD2-NE 3.45Å; D8-R181 IonicContact OD2-NH2 3.45Å; D8-R181 PolarHBondContact OD2-NH2 3.46Å
9S87.8Confident82.4Confident79 Ų7970.4 Ų70.455%0.55240%0.403SS*.Hα-helixtrans-61.8-39.8177.5-58.40000112.5G5 F6 L7 Y12 G13G5-S9 WeakPolarHBondContact O-CB 3.29Å; G5-S9 PolarHBondContact O-N 2.98Å; G5-S9 PolarHBondContact O-OG 3.08Å; F6-S9 PolarHBondContact O-N 2.81Å; L7-S9 VanDerWaalsContact C-N 3.34Å; L7-S9 PolarHBondContact O-N 3.35Å; S9-Y12 PolarHBondContact O-N 2.93Å; S9-G13 PolarHBondContact O-N 3.18Å
10L90.8Very high82.7Confident93 Ų9370.6 Ų70.649%0.48740%0.402SS..Hα-helixtrans-64.1-45.8175.2-73.2177.9000112F6 L7 D8 Y12 G13 A14F6-L10 HydrophobicContact CD1-CD1 3.93Å; F6-L10 HydrophobicContact CD1-CG 4.49Å; F6-L10 HydrophobicContact CE1-CD1 3.38Å; F6-L10 HydrophobicContact CE1-CG 4.1Å; F6-L10 HydrophobicContact CE2-CD1 4.49Å; F6-L10 HydrophobicContact CE2-CG 4.38Å; F6-L10 HydrophobicContact CZ-CD1 3.71Å; F6-L10 HydrophobicContact CZ-CD2 4.2Å; F6-L10 HydrophobicContact CZ-CG 4.04Å; F6-L10 WeakPolarHBondContact O-CG 3.43Å; F6-L10 PolarHBondContact O-N 2.92Å; L7-L10 PolarHBondContact O-N 3.32Å; D8-L10 VanDerWaalsContact C-N 3.33Å; D8-L10 PolarHBondContact O-N 3.05Å; L10-Y12 VanDerWaalsContact C-N 3.3Å; L10-Y12 PolarHBondContact O-N 3.23Å; L10-G13 PolarHBondContact O-N 3Å; L10-A14 VanDerWaalsContact O-CB 3.29Å; L10-A14 WeakPolarHBondContact O-CB 3.29Å; L10-A14 PolarHBondContact O-N 2.85Å
11I90.2Very high82.9Confident22 Ų2268.9 Ų68.911%0.11340%0.401CS..Hα-helixtrans-61.5-42.9178.4-65.3162.8000110L7 D8 A14 C15 L177 Y178L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.25Å; L7-I11 PolarHBondContact O-N 3.44Å; D8-I11 PolarHBondContact O-N 3.18Å; I11-A14 PolarHBondContact O-N 3.29Å; I11-C15 PolarHBondContact O-N 3.36Å; I11-C15 PolarHBondContact O-SG 3.5Å; I11-L177 HydrophobicContact CD1-CD2 3.84Å; I11-L177 HydrophobicContact CD1-CG 3.81Å; I11-L177 HydrophobicContact CG1-CD2 3.72Å; I11-L177 HydrophobicContact CG1-CG 4.07Å; I11-L177 HydrophobicContact CG2-CG 4.48Å; I11-Y178 HydrophobicContact CG2-CD2 4.05Å
12Y90.7Very high84.6Confident66 Ų6660.4 Ų60.426%0.25936%0.359SS..Hα-helixtrans-67.6-44.9-178-60.1-3000110.8D8 S9 L10 A14 C15 V16 I68 Y178D8-Y12 HydrophobicContact CB-CE1 4.28Å; D8-Y12 HydrophobicContact CB-CE2 4.23Å; D8-Y12 WeakPolarHBondContact O-CB 3.38Å; D8-Y12 WeakPolarHBondContact O-CD1 3.34Å; D8-Y12 PolarHBondContact O-N 3.45Å; S9-Y12 PolarHBondContact O-N 2.93Å; L10-Y12 VanDerWaalsContact C-N 3.3Å; L10-Y12 PolarHBondContact O-N 3.23Å; Y12-A14 VanDerWaalsContact C-N 3.33Å; Y12-A14 PolarHBondContact O-N 3.03Å; Y12-C15 PolarHBondContact O-N 3.31Å; Y12-V16 WeakPolarHBondContact O-CG2 3.32Å; Y12-V16 PolarHBondContact O-N 3.23Å; Y12-V16 VanDerWaalsContact O-N 3.15Å; Y12-I68 HydrophobicContact CD2-CD1 4.41Å; Y12-I68 HydrophobicContact CD2-CG1 4.35Å; Y12-I68 HydrophobicContact CG-CD1 4.34Å; Y12-I68 HydrophobicContact CG-CG1 4.17Å; Y12-Y178 AromaticContact CD1-CD2 3.52Å; Y12-Y178 HydrophobicContact CD1-CD2 3.52Å; Y12-Y178 AromaticContact CD1-CE2 3.3Å; Y12-Y178 HydrophobicContact CD1-CE2 3.3Å; Y12-Y178 AromaticContact CE1-CD2 3.6Å; Y12-Y178 HydrophobicContact CE1-CD2 3.6Å; Y12-Y178 AromaticContact CE1-CE2 3.27Å; Y12-Y178 HydrophobicContact CE1-CE2 3.27Å; Y12-Y178 HydrophobicContact CG-CE2 4.23Å
13G90.6Very high85.9Confident34 Ų3452.8 Ų52.835%0.35132%0.323SS..Hα-helixtrans-59.2-43.5173.900000112.1S9 L10 V16 V17S9-G13 PolarHBondContact O-N 3.18Å; L10-G13 PolarHBondContact O-N 3Å; G13-V16 PolarHBondContact O-N 3.01Å; G13-V17 WeakPolarHBondContact O-CB 3.49Å; G13-V17 VanDerWaalsContact O-CG2 3.3Å; G13-V17 WeakPolarHBondContact O-CG2 3.44Å; G13-V17 PolarHBondContact O-N 3.3Å
14A92.8Very high87Confident24 Ų2452.7 Ų52.720%0.19832%0.318CS..Hα-helixtrans-61.7-44.1177.300000112.2L10 I11 Y12 V16 V17 F18L10-A14 VanDerWaalsContact O-CB 3.29Å; L10-A14 WeakPolarHBondContact O-CB 3.29Å; L10-A14 PolarHBondContact O-N 2.85Å; I11-A14 PolarHBondContact O-N 3.29Å; Y12-A14 VanDerWaalsContact C-N 3.33Å; Y12-A14 PolarHBondContact O-N 3.03Å; A14-V16 VanDerWaalsContact C-N 3.33Å; A14-V16 PolarHBondContact O-N 3.48Å; A14-V17 PolarHBondContact O-N 3.48Å; A14-F18 HydrophobicContact CB-CD2 4.02Å; A14-F18 HydrophobicContact CB-CE2 3.79Å; A14-F18 WeakPolarHBondContact O-CB 3.43Å; A14-F18 WeakPolarHBondContact O-CD2 3.48Å; A14-F18 WeakPolarHBondContact O-CG 3.38Å; A14-F18 PolarHBondContact O-N 3.14Å
15C91.1Very high87.5Confident0 Ų053 Ų530%032%0.318CS..Hα-helixtrans-58.1-45.9176.3-67.10000111.4I11 Y12 T19 I68 W175I11-C15 PolarHBondContact O-N 3.36Å; I11-C15 PolarHBondContact O-SG 3.5Å; Y12-C15 PolarHBondContact O-N 3.31Å; C15-T19 WeakPolarHBondContact O-CB 3.49Å; C15-T19 PolarHBondContact O-N 3.44Å; C15-T19 PolarHBondContact O-OG1 3.48Å; C15-I68 HydrophobicContact CB-CG2 4.23Å; C15-W175 HydrophobicContact CB-CD2 4.45Å; C15-W175 HydrophobicContact CB-CH2 4.41Å; C15-W175 HydrophobicContact CB-CZ2 4.09Å
16V91.8Very high87.5Confident37 Ų3751.6 Ų51.622%0.22430%0.303CS..Hα-helixtrans-65.6-54.6178.7175.40000110.8Y12 G13 A14 F18 T19 L20 I68 V72Y12-V16 WeakPolarHBondContact O-CG2 3.32Å; Y12-V16 PolarHBondContact O-N 3.23Å; Y12-V16 VanDerWaalsContact O-N 3.15Å; G13-V16 PolarHBondContact O-N 3.01Å; A14-V16 VanDerWaalsContact C-N 3.33Å; A14-V16 PolarHBondContact O-N 3.48Å; V16-F18 PolarHBondContact O-N 2.88Å; V16-T19 PolarHBondContact O-N 3.35Å; V16-L20 HydrophobicContact CG1-CD1 3.8Å; V16-L20 HydrophobicContact CG1-CG 4.34Å; V16-L20 WeakPolarHBondContact O-CB 3.49Å; V16-L20 VanDerWaalsContact O-CG 3.24Å; V16-L20 WeakPolarHBondContact O-CG 3.08Å; V16-L20 PolarHBondContact O-N 3.41Å; V16-I68 HydrophobicContact CG2-CG2 4.3Å; V16-V72 HydrophobicContact CB-CG1 4.36Å; V16-V72 HydrophobicContact CG2-CG1 3.9Å
17V93.1Very high87.6Confident93 Ų9349.1 Ų49.156%0.56430%0.295SS*.Hα-helixtrans-61.6-47.9-173.6170.20000111.6G13 A14 L20 G21G13-V17 WeakPolarHBondContact O-CB 3.49Å; G13-V17 VanDerWaalsContact O-CG2 3.3Å; G13-V17 WeakPolarHBondContact O-CG2 3.44Å; G13-V17 PolarHBondContact O-N 3.3Å; A14-V17 PolarHBondContact O-N 3.48Å; V17-L20 PolarHBondContact O-N 3.2Å; V17-G21 PolarHBondContact O-N 2.91Å
18F92.7Very high87.7Confident64 Ų6448 Ų4828%0.28130%0.295SS..Hα-helixtrans-72.2-36.1-177.3-60.5-40.8000112.5A14 V16 G21 M22 L170 T171 S174A14-F18 HydrophobicContact CB-CD2 4.02Å; A14-F18 HydrophobicContact CB-CE2 3.79Å; A14-F18 WeakPolarHBondContact O-CB 3.43Å; A14-F18 WeakPolarHBondContact O-CD2 3.48Å; A14-F18 WeakPolarHBondContact O-CG 3.38Å; A14-F18 PolarHBondContact O-N 3.14Å; V16-F18 PolarHBondContact O-N 2.88Å; F18-G21 PolarHBondContact O-N 3.32Å; F18-M22 WeakPolarHBondContact O-CB 3.2Å; F18-M22 PolarHBondContact O-N 3.09Å; F18-L170 HydrophobicContact CB-CB 4.45Å; F18-L170 HydrophobicContact CD1-CB 4.13Å; F18-L170 HydrophobicContact CD1-CD1 4.2Å; F18-L170 HydrophobicContact CD2-CB 3.82Å; F18-L170 HydrophobicContact CE1-CB 4.31Å; F18-L170 HydrophobicContact CE1-CD1 3.87Å; F18-L170 HydrophobicContact CE2-CB 3.99Å; F18-L170 HydrophobicContact CE2-CD2 4.45Å; F18-L170 HydrophobicContact CG-CB 3.89Å; F18-L170 HydrophobicContact CZ-CB 4.24Å; F18-L170 HydrophobicContact CZ-CD1 4.13Å; F18-L170 HydrophobicContact CZ-CD2 4.35Å; F18-L170 HydrophobicContact CZ-CG 4.49Å; F18-T171 WeakPolarHBondContact CB-OG1 3.46Å; F18-T171 PolarHBondContact O-OG1 2.83Å; F18-S174 VanDerWaalsContact CD2-OG 3.28Å; F18-S174 WeakPolarHBondContact CD2-OG 3.38Å
19T89.8Confident87.8Confident9 Ų949.6 Ų49.66%0.05530%0.304CS..Hα-helixtrans-64.4-44.7174.9-55.30000111.2C15 V16 G21 M22 F23 V72 W175C15-T19 WeakPolarHBondContact O-CB 3.49Å; C15-T19 PolarHBondContact O-N 3.44Å; C15-T19 PolarHBondContact O-OG1 3.48Å; V16-T19 PolarHBondContact O-N 3.35Å; T19-G21 VanDerWaalsContact C-N 3.33Å; T19-G21 PolarHBondContact O-N 3.04Å; T19-M22 WeakPolarHBondContact O-CB 3.24Å; T19-M22 PolarHBondContact O-N 3.11Å; T19-F23 HydrophobicContact CG2-CD2 4.38Å; T19-F23 HydrophobicContact CG2-CE1 4.46Å; T19-F23 HydrophobicContact CG2-CE2 3.72Å; T19-F23 HydrophobicContact CG2-CZ 3.77Å; T19-F23 PolarHBondContact O-N 2.9Å; T19-V72 HydrophobicContact CG2-CB 4.21Å; T19-W175 PolarHBondContact OG1-NE1 3.26Å
20L87.6Confident87.8Confident73 Ų7347.6 Ų47.638%0.38229%0.287SS..Hα-helixtrans-64.3-39.4175.3-67.6-179.1000111.9V16 V17 M22 F23 S24 V75V16-L20 HydrophobicContact CG1-CD1 3.8Å; V16-L20 HydrophobicContact CG1-CG 4.34Å; V16-L20 WeakPolarHBondContact O-CB 3.49Å; V16-L20 VanDerWaalsContact O-CG 3.24Å; V16-L20 WeakPolarHBondContact O-CG 3.08Å; V16-L20 PolarHBondContact O-N 3.41Å; V17-L20 PolarHBondContact O-N 3.2Å; L20-M22 VanDerWaalsContact C-N 3.3Å; L20-M22 PolarHBondContact O-N 2.85Å; L20-F23 HydrophobicContact CD2-CD2 4.23Å; L20-F23 PolarHBondContact O-N 3.47Å; L20-S24 PolarHBondContact O-N 3.1Å; L20-V75 HydrophobicContact CD2-CB 4.1Å; L20-V75 HydrophobicContact CD2-CG1 3.53Å; L20-V75 HydrophobicContact CD2-CG2 4.49Å
21G86.5Confident87.8Confident36 Ų3651.3 Ų51.337%0.37130%0.295SS..Hα-helixtrans-59-41.317200000112.1V17 F18 T19 S24V17-G21 PolarHBondContact O-N 2.91Å; F18-G21 PolarHBondContact O-N 3.32Å; T19-G21 VanDerWaalsContact C-N 3.33Å; T19-G21 PolarHBondContact O-N 3.04Å; G21-S24 VanDerWaalsContact O-CB 3.29Å; G21-S24 WeakPolarHBondContact O-CB 3.45Å; G21-S24 PolarHBondContact O-N 2.99Å; G21-S24 PolarHBondContact O-OG 3.25Å
22M86Confident87.7Confident61 Ų6153.2 Ų53.230%0.330%0.303SS..Hα-helixtrans-65.7-38.8176.4-168.9175.267.200112F18 T19 L20 S24 A25 T171F18-M22 WeakPolarHBondContact O-CB 3.2Å; F18-M22 PolarHBondContact O-N 3.09Å; T19-M22 WeakPolarHBondContact O-CB 3.24Å; T19-M22 PolarHBondContact O-N 3.11Å; L20-M22 VanDerWaalsContact C-N 3.3Å; L20-M22 PolarHBondContact O-N 2.85Å; M22-S24 PolarHBondContact O-N 3.47Å; M22-A25 VanDerWaalsContact O-CB 3.3Å; M22-A25 WeakPolarHBondContact O-CB 3.36Å; M22-A25 PolarHBondContact O-N 3.17Å; M22-A25 VanDerWaalsContact O-N 3.14Å; M22-T171 HydrophobicContact CE-CG2 4.16Å; M22-T171 HydrophobicContact SD-CG2 4.35Å
23F81.7Confident87.7Confident18 Ų1850 Ų508%0.07929%0.291CS..Hα-helixtrans-64.7-22.2175.1-66.2-32.8000113.8T19 L20 A25 G26 L79 Y83T19-F23 HydrophobicContact CG2-CD2 4.38Å; T19-F23 HydrophobicContact CG2-CE1 4.46Å; T19-F23 HydrophobicContact CG2-CE2 3.72Å; T19-F23 HydrophobicContact CG2-CZ 3.77Å; T19-F23 PolarHBondContact O-N 2.9Å; L20-F23 HydrophobicContact CD2-CD2 4.23Å; L20-F23 PolarHBondContact O-N 3.47Å; F23-A25 PolarHBondContact O-N 3.36Å; F23-A25 VanDerWaalsContact O-N 3.16Å; F23-G26 PolarHBondContact O-N 3.05Å; F23-L79 HydrophobicContact CB-CD1 3.68Å; F23-L79 HydrophobicContact CD2-CD1 4.02Å; F23-L79 HydrophobicContact CG-CD1 4.06Å; F23-Y83 PolarHBondContact O-OH 3.5Å
24S81.8Confident87.7Confident68 Ų6857.3 Ų57.348%0.47631%0.307SS..Hα-helixtrans-60.2-24.7173.978.60000113.2L20 G21 M22 G26 L27L20-S24 PolarHBondContact O-N 3.1Å; G21-S24 VanDerWaalsContact O-CB 3.29Å; G21-S24 WeakPolarHBondContact O-CB 3.45Å; G21-S24 PolarHBondContact O-N 2.99Å; G21-S24 PolarHBondContact O-OG 3.25Å; M22-S24 PolarHBondContact O-N 3.47Å; S24-G26 VanDerWaalsContact C-N 3.31Å; S24-G26 PolarHBondContact O-N 3.48Å; S24-L27 WeakPolarHBondContact O-CB 3.36Å; S24-L27 PolarHBondContact O-N 2.84Å; S24-L27 VanDerWaalsContact O-N 3.12Å
25A78.8Confident87.7Confident40 Ų4062 Ų6233%0.33133%0.327SS..Hα-helixtrans-58.8-42173.900000111.6M22 F23 L27 S28 L164M22-A25 VanDerWaalsContact O-CB 3.3Å; M22-A25 WeakPolarHBondContact O-CB 3.36Å; M22-A25 PolarHBondContact O-N 3.17Å; M22-A25 VanDerWaalsContact O-N 3.14Å; F23-A25 PolarHBondContact O-N 3.36Å; F23-A25 VanDerWaalsContact O-N 3.16Å; A25-L27 VanDerWaalsContact C-N 3.26Å; A25-L27 PolarHBondContact O-N 3.35Å; A25-S28 WeakPolarHBondContact O-CB 3.49Å; A25-S28 PolarHBondContact O-N 3.13Å; A25-S28 VanDerWaalsContact O-N 3.13Å; A25-S28 PolarHBondContact O-OG 3.35Å; A25-L164 HydrophobicContact CB-CD1 4.12Å
26G80.6Confident87.6Confident11 Ų1165.2 Ų65.211%0.11335%0.347CS..Hα-helixtrans-68.8-21.5177.900000113.9F23 S24 S28 D29 L30 Y83F23-G26 PolarHBondContact O-N 3.05Å; S24-G26 VanDerWaalsContact C-N 3.31Å; S24-G26 PolarHBondContact O-N 3.48Å; G26-S28 PolarHBondContact O-N 3.31Å; G26-D29 PolarHBondContact O-N 3.05Å; G26-L30 PolarHBondContact O-N 3.17Å; G26-L30 VanDerWaalsContact O-N 3.11Å; G26-Y83 VanDerWaalsContact C-CZ 3.47Å
27L86.3Confident87.5Confident84 Ų8471.7 Ų71.744%0.4437%0.367SS..Hα-helixtrans-66.3-28173.2-65.4172.2000111.9S24 A25 L30 R31 Y83S24-L27 WeakPolarHBondContact O-CB 3.36Å; S24-L27 PolarHBondContact O-N 2.84Å; S24-L27 VanDerWaalsContact O-N 3.12Å; A25-L27 VanDerWaalsContact C-N 3.26Å; A25-L27 PolarHBondContact O-N 3.35Å; L27-L30 PolarHBondContact O-N 2.95Å; L27-R31 WeakPolarHBondContact O-CB 3.22Å; L27-R31 PolarHBondContact O-N 3.45Å; L27-Y83 HydrophobicContact CD2-CE1 4.24Å; L27-Y83 WeakPolarHBondContact CD2-OH 3.41Å; L27-Y83 PolarHBondContact N-OH 3.47Å
28S85.8Confident87.3Confident73 Ų7368.5 Ų68.551%0.5135%0.349SS..Hα-helixtrans-66.2-41.2175.575.20000111.7A25 G26 R31 H32A25-S28 WeakPolarHBondContact O-CB 3.49Å; A25-S28 PolarHBondContact O-N 3.13Å; A25-S28 VanDerWaalsContact O-N 3.13Å; A25-S28 PolarHBondContact O-OG 3.35Å; G26-S28 PolarHBondContact O-N 3.31Å; S28-R31 PolarHBondContact O-N 3.47Å; S28-H32 WeakPolarHBondContact O-CB 3.2Å; S28-H32 PolarHBondContact O-N 3.04Å
29D87.1Confident87.1Confident57 Ų5765.9 Ų65.931%0.30534%0.338SS..Hα-helixtrans-64.6-43.5174.3-65.3-37.2000111.4G26 R31 H32 M33 V42 F47G26-D29 PolarHBondContact O-N 3.05Å; D29-R31 VanDerWaalsContact C-N 3.31Å; D29-R31 PolarHBondContact O-N 3.26Å; D29-H32 WeakPolarHBondContact O-CB 3.33Å; D29-H32 PolarHBondContact O-N 3.32Å; D29-M33 WeakPolarHBondContact O-CG 3.46Å; D29-M33 PolarHBondContact O-N 3.4Å; D29-V42 HydrophobicContact CB-CG1 4.29Å; D29-F47 HydrophobicContact CB-CZ 4.06Å
30L89.1Confident86.9Confident37 Ų3770.4 Ų70.419%0.19436%0.362CS..Hα-helixtrans-59.9-43.3175.4-178.163.9000111.7G26 L27 M33 R34 L82 Y83 A86G26-L30 PolarHBondContact O-N 3.17Å; G26-L30 VanDerWaalsContact O-N 3.11Å; L27-L30 PolarHBondContact O-N 2.95Å; L30-M33 HydrophobicContact CD1-CE 4.38Å; L30-M33 PolarHBondContact O-N 2.84Å; L30-R34 WeakPolarHBondContact O-CB 3.47Å; L30-R34 PolarHBondContact O-N 3.19Å; L30-L82 HydrophobicContact CD2-CD2 3.91Å; L30-L82 HydrophobicContact CD2-CG 4.33Å; L30-Y83 HydrophobicContact CB-CD1 3.98Å; L30-Y83 HydrophobicContact CB-CE1 3.91Å; L30-Y83 HydrophobicContact CD1-CD1 4.42Å; L30-Y83 HydrophobicContact CD2-CD1 4.23Å; L30-Y83 HydrophobicContact CD2-CE1 3.99Å; L30-Y83 HydrophobicContact CG-CD1 4.43Å; L30-Y83 HydrophobicContact CG-CE1 4.48Å; L30-A86 HydrophobicContact CD1-CB 3.35Å
31R89.2Confident86.6Confident171 Ų17174.8 Ų74.865%0.64539%0.386SS*.Hα-helixtrans-63.3-44.2176.4-173-175.2174.1176.7-0.2110.8L27 S28 D29 R34 M35L27-R31 WeakPolarHBondContact O-CB 3.22Å; L27-R31 PolarHBondContact O-N 3.45Å; S28-R31 PolarHBondContact O-N 3.47Å; D29-R31 VanDerWaalsContact C-N 3.31Å; D29-R31 PolarHBondContact O-N 3.26Å; R31-R34 PolarHBondContact O-N 2.92Å; R31-M35 HydrophobicContact CG-CE 3.84Å; R31-M35 HydrophobicContact CG-CG 4.38Å; R31-M35 HydrophobicContact CG-SD 3.97Å; R31-M35 WeakPolarHBondContact O-CB 3.48Å; R31-M35 VanDerWaalsContact O-CG 3.29Å; R31-M35 WeakPolarHBondContact O-CG 3.26Å; R31-M35 PolarHBondContact O-N 2.65Å
32H88Confident86.6Confident61 Ų6173.6 Ų73.628%0.28237%0.371SS..Hα-helixtrans-58.9-49.6176.4178.172.8000111.6S28 D29 R34 M35 T36 D40S28-H32 WeakPolarHBondContact O-CB 3.2Å; S28-H32 PolarHBondContact O-N 3.04Å; D29-H32 WeakPolarHBondContact O-CB 3.33Å; D29-H32 PolarHBondContact O-N 3.32Å; H32-R34 VanDerWaalsContact C-N 3.31Å; H32-R34 PolarHBondContact O-N 2.84Å; H32-M35 PolarHBondContact O-N 3.49Å; H32-T36 WeakPolarHBondContact O-CB 3.34Å; H32-T36 WeakPolarHBondContact O-CG2 3.38Å; H32-T36 PolarHBondContact O-N 2.94Å; H32-T36 PolarHBondContact O-OG1 3.43Å; H32-D40 PolarHBondContact NE2-O 2.66Å; H32-D40 VanDerWaalsContact NE2-O 3.11Å
33M91.5Very high86.7Confident0 Ų077.3 Ų77.30%039%0.388CS..Hα-helixtrans-59.2-41.5177.5-71-173.8-75.900112.3D29 L30 R37 S38 V39 V42 F47 A86 Y87 Y90D29-M33 WeakPolarHBondContact O-CG 3.46Å; D29-M33 PolarHBondContact O-N 3.4Å; L30-M33 HydrophobicContact CD1-CE 4.38Å; L30-M33 PolarHBondContact O-N 2.84Å; M33-R37 VanDerWaalsContact O-CA 3.25Å; M33-R37 WeakPolarHBondContact O-CA 3.27Å; M33-R37 PolarHBondContact O-N 3.31Å; M33-S38 WeakPolarHBondContact CA-O 3.26Å; M33-V39 HydrophobicContact CG-CG1 4.34Å; M33-V39 HydrophobicContact SD-CG1 3.93Å; M33-V42 HydrophobicContact CG-CG2 4.15Å; M33-V42 HydrophobicContact SD-CG1 4.35Å; M33-F47 HydrophobicContact CE-CE2 4.5Å; M33-A86 HydrophobicContact CE-CB 4.24Å; M33-Y87 HydrophobicContact SD-CD2 3.8Å; M33-Y87 HydrophobicContact SD-CG 4.38Å; M33-Y90 HydrophobicContact CB-CD2 3.91Å; M33-Y90 HydrophobicContact CB-CE2 4.37Å
34R91.5Very high87.1Confident186 Ų18677 Ų7770%0.70239%0.386SS*.Hα-helixtrans-68.1-41.2179.3-172.5179179-173.10112.8L30 R31 H32L30-R34 WeakPolarHBondContact O-CB 3.47Å; L30-R34 PolarHBondContact O-N 3.19Å; R31-R34 PolarHBondContact O-N 2.92Å; H32-R34 VanDerWaalsContact C-N 3.31Å; H32-R34 PolarHBondContact O-N 2.84Å
35M91.2Very high87.4Confident123 Ų12378.6 Ų78.661%0.60639%0.389SS*.Hα-helixtrans-74.4-43-177.9-69.7-173.6-48.300111.9R31 H32R31-M35 HydrophobicContact CG-CE 3.84Å; R31-M35 HydrophobicContact CG-CG 4.38Å; R31-M35 HydrophobicContact CG-SD 3.97Å; R31-M35 WeakPolarHBondContact O-CB 3.48Å; R31-M35 VanDerWaalsContact O-CG 3.29Å; R31-M35 WeakPolarHBondContact O-CG 3.26Å; R31-M35 PolarHBondContact O-N 2.65Å; H32-M35 PolarHBondContact O-N 3.49Å
36T90.6Very high87.9Confident68 Ų6879.1 Ų79.142%0.41739%0.389SS..Hα-helixtrans-86.3-14.2-177.462.30000113.4H32 S38H32-T36 WeakPolarHBondContact O-CB 3.34Å; H32-T36 WeakPolarHBondContact O-CG2 3.38Å; H32-T36 PolarHBondContact O-N 2.94Å; H32-T36 PolarHBondContact O-OG1 3.43Å; T36-S38 PolarHBondContact O-N 3.13Å; T36-S38 VanDerWaalsContact O-N 3.14Å; T36-S38 PolarHBondContact OG1-N 3.03Å; T36-S38 PolarHBondContact OG1-O 3.36Å
37R89.8Confident88.5Confident172 Ų17279 Ų7965%0.64939%0.386SS*.SBendtrans55.223.9-171.6-60.1-69.5-168.4136.61.5112.7M33 Y90M33-R37 VanDerWaalsContact O-CA 3.25Å; M33-R37 WeakPolarHBondContact O-CA 3.27Å; M33-R37 PolarHBondContact O-N 3.31Å; R37-Y90 HydrophobicContact CB-CD1 4.41Å
38S88.1Confident88.7Confident26 Ų2675.2 Ų75.218%0.18237%0.366CS..SBendtrans-135.2159-178.7-174.50000110.5M33 T36 D40M33-S38 WeakPolarHBondContact CA-O 3.26Å; T36-S38 PolarHBondContact O-N 3.13Å; T36-S38 VanDerWaalsContact O-N 3.14Å; T36-S38 PolarHBondContact OG1-N 3.03Å; T36-S38 PolarHBondContact OG1-O 3.36Å; S38-D40 PolarHBondContact OG-N 3.2Å; S38-D40 PolarHBondContact OG-OD1 3.25Å; S38-D40 PolarHBondContact OG-OD2 3.11Å
39V88Confident89Confident10 Ų1073.6 Ų73.66%0.06135%0.353CS..  trans-102.313172.8-61.60000112.2M33 N41 V42 Y87 C91M33-V39 HydrophobicContact CG-CG1 4.34Å; M33-V39 HydrophobicContact SD-CG1 3.93Å; V39-N41 PolarHBondContact O-N 3.01Å; V39-V42 PolarHBondContact O-N 3.14Å; V39-Y87 HydrophobicContact CB-CD2 4.03Å; V39-Y87 HydrophobicContact CB-CE1 4.23Å; V39-Y87 HydrophobicContact CB-CE2 3.58Å; V39-Y87 HydrophobicContact CG1-CD1 4.19Å; V39-Y87 HydrophobicContact CG1-CD2 3.79Å; V39-Y87 HydrophobicContact CG1-CE1 4.25Å; V39-Y87 HydrophobicContact CG1-CE2 3.88Å; V39-Y87 HydrophobicContact CG1-CG 3.96Å; V39-Y87 HydrophobicContact CG2-CE1 4.15Å; V39-Y87 HydrophobicContact CG2-CE2 4.26Å; V39-C91 HydrophobicContact CG1-CB 4.2Å; V39-C91 HydrophobicContact CG2-CB 4Å
40D85.4Confident89.3Confident104 Ų10472.2 Ų72.256%0.55635%0.346SS*.THydrogen-bonded Turntrans-60.2135.8179.6-63.5-37000111.2H32 S38 V42H32-D40 PolarHBondContact NE2-O 2.66Å; H32-D40 VanDerWaalsContact NE2-O 3.11Å; S38-D40 PolarHBondContact OG-N 3.2Å; S38-D40 PolarHBondContact OG-OD1 3.25Å; S38-D40 PolarHBondContact OG-OD2 3.11Å; D40-V42 PolarHBondContact O-N 3.21Å
41N82Confident89.5Confident165 Ų16571.2 Ų71.288%0.88234%0.341SS*.THydrogen-bonded Turntrans656.4-173.9-51.8-53.3000115.5V39V39-N41 PolarHBondContact O-N 3.01Å
42V87.3Confident89.7Confident10 Ų1063.4 Ų63.46%0.06131%0.312CS..  trans-103.4120.6173.3-174.60000109.5D29 M33 V39 D40 F47 Y87D29-V42 HydrophobicContact CB-CG1 4.29Å; M33-V42 HydrophobicContact CG-CG2 4.15Å; M33-V42 HydrophobicContact SD-CG1 4.35Å; V39-V42 PolarHBondContact O-N 3.14Å; D40-V42 PolarHBondContact O-N 3.21Å; V42-F47 HydrophobicContact CG1-CE2 3.54Å; V42-F47 HydrophobicContact CG1-CZ 3.67Å; V42-Y87 HydrophobicContact CB-CE2 4.03Å; V42-Y87 HydrophobicContact CG1-CD2 4.05Å; V42-Y87 HydrophobicContact CG1-CE2 3.89Å; V42-Y87 VanDerWaalsContact O-CE2 3.31Å; V42-Y87 WeakPolarHBondContact O-CE2 3.31Å; V42-Y87 PolarHBondContact O-OH 3.31Å; V42-Y87 VanDerWaalsContact O-OH 3.11Å
43Q87.5Confident90.1Very high139 Ų13961.5 Ų61.565%0.6530%0.304SS*.  trans-83.9130.1176.9-65.8-173.3-30.900110.5P46Q43-P46 HydrophobicContact CB-CG 4Å; Q43-P46 WeakPolarHBondContact O-CD 3.15Å
44F89.3Confident90.3Very high11 Ų1161.8 Ų61.85%0.04831%0.305CS..SBendtrans-78.5-36.4-179.6-175.4-121.4000113.7F47 L48 I84 Y87 V97 Q100 T101F44-F47 HydrophobicContact CD2-CD2 4.3Å; F44-F47 PolarHBondContact O-N 3.32Å; F44-F47 VanDerWaalsContact O-N 3.09Å; F44-L48 HydrophobicContact CD1-CD1 3.75Å; F44-L48 HydrophobicContact CD1-CG 4.06Å; F44-L48 HydrophobicContact CE1-CD1 3.27Å; F44-L48 HydrophobicContact CE1-CD2 3.87Å; F44-L48 HydrophobicContact CE1-CG 3.53Å; F44-L48 HydrophobicContact CE2-CD2 4.49Å; F44-L48 HydrophobicContact CE2-CG 4.41Å; F44-L48 HydrophobicContact CZ-CD1 3.96Å; F44-L48 HydrophobicContact CZ-CD2 3.65Å; F44-L48 HydrophobicContact CZ-CG 3.71Å; F44-L48 PolarHBondContact O-N 3.39Å; F44-I84 HydrophobicContact CE2-CB 4.29Å; F44-I84 HydrophobicContact CE2-CG1 4.08Å; F44-I84 HydrophobicContact CE2-CG2 4.01Å; F44-I84 HydrophobicContact CZ-CG1 4.49Å; F44-I84 HydrophobicContact CZ-CG2 4.05Å; F44-Y87 HydrophobicContact CB-CD1 4.2Å; F44-Y87 HydrophobicContact CB-CE1 3.76Å; F44-Y87 HydrophobicContact CB-CE2 4.09Å; F44-Y87 AromaticContact CD2-CD1 3.47Å; F44-Y87 HydrophobicContact CD2-CD1 3.47Å; F44-Y87 VanDerWaalsContact CD2-CD1 3.47Å; F44-Y87 HydrophobicContact CD2-CD2 4.13Å; F44-Y87 AromaticContact CD2-CE1 3.93Å; F44-Y87 HydrophobicContact CD2-CE1 3.93Å; F44-Y87 AromaticContact CD2-CG 3.59Å; F44-Y87 HydrophobicContact CD2-CG 3.59Å; F44-Y87 HydrophobicContact CE2-CD1 4.09Å; F44-Y87 HydrophobicContact CE2-CG 4.23Å; F44-Y87 HydrophobicContact CG-CD1 4.01Å; F44-Y87 HydrophobicContact CG-CE1 4Å; F44-Y87 HydrophobicContact CG-CG 4.43Å; F44-V97 HydrophobicContact CD1-CG1 3.8Å; F44-V97 HydrophobicContact CD2-CG1 4.01Å; F44-V97 HydrophobicContact CE1-CB 4.22Å; F44-V97 HydrophobicContact CE1-CG1 3.32Å; F44-V97 HydrophobicContact CE2-CG1 3.6Å; F44-V97 HydrophobicContact CG-CG1 4.11Å; F44-V97 HydrophobicContact CZ-CG1 3.23Å; F44-Q100 HydrophobicContact CE1-CB 4.13Å; F44-T101 WeakPolarHBondContact CZ-OG1 3.31Å
45L88.3Confident90.4Very high103 Ų10355.3 Ų55.354%0.53929%0.285SS..Hα-helixtrans-57.1-42.3-173.8-173.366000113.3F47 L48 T49L45-F47 VanDerWaalsContact C-N 3.28Å; L45-F47 PolarHBondContact O-N 3.15Å; L45-L48 PolarHBondContact O-N 3.07Å; L45-T49 HydrophobicContact CD1-CG2 4.13Å; L45-T49 HydrophobicContact CG-CG2 4.16Å; L45-T49 PolarHBondContact O-N 3.22Å; L45-T49 PolarHBondContact O-OG1 3.3Å
46P90.4Very high90.6Very high50 Ų5049.9 Ų49.933%0.32526%0.26SS..Hα-helixtrans-56.3-36.8175.3-2836.9000114.3Q43 T49 T50Q43-P46 HydrophobicContact CB-CG 4Å; Q43-P46 WeakPolarHBondContact O-CD 3.15Å; P46-T49 WeakPolarHBondContact CA-OG1 3.28Å; P46-T49 PolarHBondContact O-OG1 2.74Å; P46-T50 WeakPolarHBondContact O-CB 3.43Å; P46-T50 PolarHBondContact O-N 3.05Å; P46-T50 PolarHBondContact O-OG1 2.67Å
47F91.7Very high90.9Very high10 Ų1047.2 Ų47.24%0.04424%0.242CC..Hα-helixtrans-66-45.6177.3-57.1-43.5000111.1D29 M33 V42 F44 L45 T50 E51 Y83 I84 Y87D29-F47 HydrophobicContact CB-CZ 4.06Å; M33-F47 HydrophobicContact CE-CE2 4.5Å; V42-F47 HydrophobicContact CG1-CE2 3.54Å; V42-F47 HydrophobicContact CG1-CZ 3.67Å; F44-F47 HydrophobicContact CD2-CD2 4.3Å; F44-F47 PolarHBondContact O-N 3.32Å; F44-F47 VanDerWaalsContact O-N 3.09Å; L45-F47 VanDerWaalsContact C-N 3.28Å; L45-F47 PolarHBondContact O-N 3.15Å; F47-T50 PolarHBondContact O-N 2.99Å; F47-E51 WeakPolarHBondContact O-CB 3.48Å; F47-E51 PolarHBondContact O-N 3.12Å; F47-Y83 AromaticContact CD1-CD2 4Å; F47-Y83 HydrophobicContact CD1-CD2 4Å; F47-Y83 HydrophobicContact CD1-CG 4.37Å; F47-Y83 HydrophobicContact CE1-CD2 4.02Å; F47-Y83 HydrophobicContact CE1-CG 4.28Å; F47-I84 HydrophobicContact CB-CG1 3.91Å; F47-Y87 HydrophobicContact CD2-CD2 4.39Å; F47-Y87 HydrophobicContact CE2-CD2 4.01Å
48L91.4Very high91.3Very high4 Ų440.9 Ų40.92%0.02122%0.221CC..Hα-helixtrans-64-46.5177.7-70.7-178.8000112.7F44 L45 T50 E51 V52 I84 Q100 L104F44-L48 HydrophobicContact CD1-CD1 3.75Å; F44-L48 HydrophobicContact CD1-CG 4.06Å; F44-L48 HydrophobicContact CE1-CD1 3.27Å; F44-L48 HydrophobicContact CE1-CD2 3.87Å; F44-L48 HydrophobicContact CE1-CG 3.53Å; F44-L48 HydrophobicContact CE2-CD2 4.49Å; F44-L48 HydrophobicContact CE2-CG 4.41Å; F44-L48 HydrophobicContact CZ-CD1 3.96Å; F44-L48 HydrophobicContact CZ-CD2 3.65Å; F44-L48 HydrophobicContact CZ-CG 3.71Å; F44-L48 PolarHBondContact O-N 3.39Å; L45-L48 PolarHBondContact O-N 3.07Å; L48-T50 VanDerWaalsContact C-N 3.33Å; L48-T50 PolarHBondContact O-N 3.14Å; L48-E51 WeakPolarHBondContact O-CB 3.4Å; L48-E51 PolarHBondContact O-N 3.44Å; L48-V52 PolarHBondContact O-N 3.34Å; L48-V52 VanDerWaalsContact O-N 3.15Å; L48-I84 HydrophobicContact CD2-CD1 3.9Å; L48-I84 HydrophobicContact CD2-CG1 4.28Å; L48-Q100 HydrophobicContact CD1-CB 3.7Å; L48-L104 HydrophobicContact CB-CD1 4.15Å; L48-L104 HydrophobicContact CB-CD2 4.15Å; L48-L104 HydrophobicContact CD2-CB 4.41Å; L48-L104 HydrophobicContact CD2-CD2 3.62Å; L48-L104 HydrophobicContact CD2-CG 4.46Å; L48-L104 HydrophobicContact CG-CD2 4.45Å
49T92Very high91.6Very high39 Ų3941.4 Ų41.424%0.23923%0.225CC..Hα-helixtrans-66.6-39.5-179.454.10000110.7L45 P46 E51 V52 N53 F136L45-T49 HydrophobicContact CD1-CG2 4.13Å; L45-T49 HydrophobicContact CG-CG2 4.16Å; L45-T49 PolarHBondContact O-N 3.22Å; L45-T49 PolarHBondContact O-OG1 3.3Å; P46-T49 WeakPolarHBondContact CA-OG1 3.28Å; P46-T49 PolarHBondContact O-OG1 2.74Å; T49-E51 VanDerWaalsContact C-N 3.31Å; T49-E51 PolarHBondContact O-N 3.34Å; T49-V52 PolarHBondContact O-N 3.41Å; T49-N53 PolarHBondContact O-N 3.43Å; T49-F136 VanDerWaalsContact O-CE1 3.26Å; T49-F136 WeakPolarHBondContact O-CE1 3.29Å
50T92.9Very high91.9Very high28 Ų2841.3 Ų41.317%0.17222%0.223CC..Hα-helixtrans-67.1-34.1177.2-51.70000111.6P46 F47 L48 N53 N54 Q80 M140P46-T50 WeakPolarHBondContact O-CB 3.43Å; P46-T50 PolarHBondContact O-N 3.05Å; P46-T50 PolarHBondContact O-OG1 2.67Å; F47-T50 PolarHBondContact O-N 2.99Å; L48-T50 VanDerWaalsContact C-N 3.33Å; L48-T50 PolarHBondContact O-N 3.14Å; T50-N53 WeakPolarHBondContact O-CB 3.4Å; T50-N53 PolarHBondContact O-N 3.13Å; T50-N54 WeakPolarHBondContact O-CB 3.34Å; T50-N54 VanDerWaalsContact O-CG 3.24Å; T50-N54 PolarHBondContact O-N 3.37Å; T50-N54 PolarHBondContact O-ND2 3.3Å; T50-Q80 HydrophobicContact CG2-CG 3.91Å; T50-Q80 VanDerWaalsContact CG2-NE2 3.33Å; T50-M140 WeakPolarHBondContact OG1-CE 3.49Å
51E94Very high92.4Very high15 Ų1536.3 Ų36.37%0.0720%0.197CC..Hα-helixtrans-60.5-48.4173-176.265.9176.900112F47 L48 T49 N53 N54 L55 A77 Q80 T81 I84 L104F47-E51 WeakPolarHBondContact O-CB 3.48Å; F47-E51 PolarHBondContact O-N 3.12Å; L48-E51 WeakPolarHBondContact O-CB 3.4Å; L48-E51 PolarHBondContact O-N 3.44Å; T49-E51 VanDerWaalsContact C-N 3.31Å; T49-E51 PolarHBondContact O-N 3.34Å; E51-N53 VanDerWaalsContact C-N 3.3Å; E51-N53 PolarHBondContact O-N 3.04Å; E51-N54 PolarHBondContact O-N 2.96Å; E51-L55 HydrophobicContact CG-CD1 4.01Å; E51-L55 HydrophobicContact CG-CG 4.49Å; E51-L55 WeakPolarHBondContact O-CG 3.33Å; E51-L55 PolarHBondContact O-N 3.29Å; E51-A77 VanDerWaalsContact OE2-CA 3.24Å; E51-A77 WeakPolarHBondContact OE2-CA 3.48Å; E51-A77 VanDerWaalsContact OE2-O 3.09Å; E51-Q80 HydrophobicContact CB-CB 4.15Å; E51-Q80 WeakPolarHBondContact OE2-CB 3.21Å; E51-T81 PolarHBondContact OE1-OG1 2.88Å; E51-I84 HydrophobicContact CB-CD1 4.15Å; E51-I84 HydrophobicContact CG-CD1 4.31Å; E51-L104 HydrophobicContact CB-CD2 4.43Å; E51-L104 HydrophobicContact CG-CD2 4.44Å
52V93.3Very high93.1Very high7 Ų731.5 Ų31.54%0.04218%0.179CC..Hα-helixtrans-60.4-42.6176.2172.20000111.4L48 T49 N54 L55 G56 L104 L108 F136L48-V52 PolarHBondContact O-N 3.34Å; L48-V52 VanDerWaalsContact O-N 3.15Å; T49-V52 PolarHBondContact O-N 3.41Å; V52-N54 PolarHBondContact O-N 3.42Å; V52-L55 PolarHBondContact O-N 2.93Å; V52-G56 PolarHBondContact O-N 3.09Å; V52-L104 HydrophobicContact CG2-CD1 3.14Å; V52-L104 HydrophobicContact CG2-CD2 3.94Å; V52-L104 HydrophobicContact CG2-CG 3.58Å; V52-L108 HydrophobicContact CB-CD2 4.5Å; V52-L108 HydrophobicContact CG1-CD2 4.24Å; V52-L108 HydrophobicContact CG2-CD1 4.37Å; V52-L108 HydrophobicContact CG2-CD2 4.08Å; V52-L108 HydrophobicContact CG2-CG 4.25Å; V52-F136 HydrophobicContact CB-CE1 4.07Å; V52-F136 HydrophobicContact CB-CZ 3.91Å; V52-F136 HydrophobicContact CG1-CD1 4.45Å; V52-F136 HydrophobicContact CG1-CE1 3.96Å; V52-F136 HydrophobicContact CG1-CE2 4.12Å; V52-F136 HydrophobicContact CG1-CZ 3.76Å
53N95.2Very high93.4Very high22 Ų2234.1 Ų34.112%0.11819%0.193CC..Hα-helixtrans-59.2-48.4177.3-17178.4000111.1T49 T50 E51 G56 W57 F136 T137 M140T49-N53 PolarHBondContact O-N 3.43Å; T50-N53 WeakPolarHBondContact O-CB 3.4Å; T50-N53 PolarHBondContact O-N 3.13Å; E51-N53 VanDerWaalsContact C-N 3.3Å; E51-N53 PolarHBondContact O-N 3.04Å; N53-G56 PolarHBondContact O-N 3.35Å; N53-W57 VanDerWaalsContact O-CD1 3.27Å; N53-W57 PolarHBondContact O-N 3.44Å; N53-F136 HydrophobicContact CB-CD1 3.97Å; N53-F136 HydrophobicContact CB-CE1 3.88Å; N53-T137 PolarHBondContact OD1-OG1 3.39Å; N53-M140 HydrophobicContact CB-SD 3.74Å
54N95.6Very high93.7Very high5 Ų530.7 Ų30.73%0.02718%0.176CC..Hα-helixtrans-62.7-47179-71-31.1000111.5T50 E51 V52 G56 W57 L58 N73 G76 A77T50-N54 WeakPolarHBondContact O-CB 3.34Å; T50-N54 VanDerWaalsContact O-CG 3.24Å; T50-N54 PolarHBondContact O-N 3.37Å; T50-N54 PolarHBondContact O-ND2 3.3Å; E51-N54 PolarHBondContact O-N 2.96Å; V52-N54 PolarHBondContact O-N 3.42Å; N54-G56 VanDerWaalsContact C-N 3.33Å; N54-G56 PolarHBondContact O-N 3.11Å; N54-W57 PolarHBondContact O-N 3.46Å; N54-L58 WeakPolarHBondContact O-CB 3.37Å; N54-L58 PolarHBondContact O-N 3.18Å; N54-N73 HydrophobicContact CB-CB 4.46Å; N54-N73 WeakPolarHBondContact O-CB 3.3Å; N54-N73 PolarHBondContact OD1-OD1 3.17Å; N54-G76 WeakPolarHBondContact ND2-CA 3.5Å; N54-G76 PolarHBondContact ND2-O 2.89Å; N54-A77 HydrophobicContact CB-CB 4.08Å; N54-A77 PolarHBondContact ND2-N 2.86Å
55L95.5Very high93.9Very high51 Ų5132.9 Ų32.927%0.26720%0.202SC..Hα-helixtrans-65.1-36.1179.3-67.7175000112.5E51 V52 L58 S59 A77 L108E51-L55 HydrophobicContact CG-CD1 4.01Å; E51-L55 HydrophobicContact CG-CG 4.49Å; E51-L55 WeakPolarHBondContact O-CG 3.33Å; E51-L55 PolarHBondContact O-N 3.29Å; V52-L55 PolarHBondContact O-N 2.93Å; L55-L58 HydrophobicContact CD2-CD2 4.44Å; L55-S59 WeakPolarHBondContact O-CB 3.49Å; L55-S59 PolarHBondContact O-N 3.15Å; L55-S59 PolarHBondContact O-OG 3.4Å; L55-A77 HydrophobicContact CD2-CB 4.03Å; L55-L108 HydrophobicContact CD1-CD1 3.67Å; L55-L108 HydrophobicContact CD1-CD2 4.38Å
56G95.2Very high94.2Very high8 Ų828.6 Ų28.68%0.08218%0.18CC..Hα-helixtrans-64.1-51.3174.200000112.1V52 N53 N54 L58 S59 Y60 C133V52-G56 PolarHBondContact O-N 3.09Å; N53-G56 PolarHBondContact O-N 3.35Å; N54-G56 VanDerWaalsContact C-N 3.33Å; N54-G56 PolarHBondContact O-N 3.11Å; G56-L58 VanDerWaalsContact C-N 3.34Å; G56-L58 PolarHBondContact O-N 3.22Å; G56-S59 WeakPolarHBondContact O-CB 3.39Å; G56-S59 PolarHBondContact O-N 3.06Å; G56-Y60 PolarHBondContact O-N 3.37Å; G56-C133 PolarHBondContact O-SG 2.62Å; G56-C133 VanDerWaalsContact O-SG 3.39Å
57W97Very high94.4Very high12 Ų1236 Ų365%0.04520%0.201CC..Hα-helixtrans-68.7-30.7177.8-79.3112.2000113.3N53 N54 Y60 G61 L69 N73 C133 T137 I187 S190N53-W57 VanDerWaalsContact O-CD1 3.27Å; N53-W57 PolarHBondContact O-N 3.44Å; N54-W57 PolarHBondContact O-N 3.46Å; W57-Y60 AromaticContact CE3-CD1 3.72Å; W57-Y60 HydrophobicContact CE3-CD1 3.72Å; W57-Y60 HydrophobicContact CE3-CE1 4.47Å; W57-Y60 HydrophobicContact CE3-CG 4.15Å; W57-Y60 AromaticContact CZ3-CD1 3.59Å; W57-Y60 HydrophobicContact CZ3-CD1 3.59Å; W57-Y60 AromaticContact CZ3-CE1 3.91Å; W57-Y60 HydrophobicContact CZ3-CE1 3.91Å; W57-Y60 HydrophobicContact CZ3-CG 4.17Å; W57-Y60 PolarHBondContact O-N 2.88Å; W57-G61 PolarHBondContact O-N 2.91Å; W57-L69 HydrophobicContact CE3-CD1 4.38Å; W57-L69 HydrophobicContact CE3-CD2 4.04Å; W57-N73 WeakPolarHBondContact CB-ND2 3.4Å; W57-N73 WeakPolarHBondContact CB-OD1 3.48Å; W57-C133 HydrophobicContact CD2-CB 3.88Å; W57-C133 HydrophobicContact CE3-CB 4.3Å; W57-C133 HydrophobicContact CG-CB 4.32Å; W57-C133 HydrophobicContact CH2-CB 4.23Å; W57-C133 HydrophobicContact CZ2-CB 3.82Å; W57-C133 HydrophobicContact CZ3-CB 4.45Å; W57-T137 PolarHBondContact NE1-OG1 3.48Å; W57-I187 HydrophobicContact CH2-CB 4.4Å; W57-I187 HydrophobicContact CH2-CG1 3.84Å; W57-I187 HydrophobicContact CZ3-CG1 3.55Å; W57-S190 WeakPolarHBondContact CZ2-OG 3.49Å
58L96.4Very high94.5Very high39 Ų3937.2 Ų37.220%0.20421%0.208CC..Hα-helixtrans-62.1-47.5170.2176.359.1000110.8N54 L55 G56 Y60 G61 A62 I70 N73 T74N54-L58 WeakPolarHBondContact O-CB 3.37Å; N54-L58 PolarHBondContact O-N 3.18Å; L55-L58 HydrophobicContact CD2-CD2 4.44Å; G56-L58 VanDerWaalsContact C-N 3.34Å; G56-L58 PolarHBondContact O-N 3.22Å; L58-Y60 VanDerWaalsContact C-N 3.33Å; L58-Y60 PolarHBondContact O-N 3.4Å; L58-G61 PolarHBondContact O-N 3.32Å; L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.36Å; L58-I70 HydrophobicContact CD1-CB 4.2Å; L58-I70 HydrophobicContact CD1-CG1 4.32Å; L58-I70 HydrophobicContact CD1-CG2 3.88Å; L58-N73 HydrophobicContact CB-CB 3.98Å; L58-T74 VanDerWaalsContact CD1-OG1 3.29Å; L58-T74 WeakPolarHBondContact CD1-OG1 3.25Å
59S94.6Very high94.6Very high38 Ų3837.2 Ų37.227%0.26621%0.208SC..Hα-helixtrans-62.4-41.7176.5-61.60000111.6L55 G56 A62 L63L55-S59 WeakPolarHBondContact O-CB 3.49Å; L55-S59 PolarHBondContact O-N 3.15Å; L55-S59 PolarHBondContact O-OG 3.4Å; G56-S59 WeakPolarHBondContact O-CB 3.39Å; G56-S59 PolarHBondContact O-N 3.06Å; S59-A62 PolarHBondContact O-N 3.38Å; S59-L63 WeakPolarHBondContact O-CG 3.26Å; S59-L63 PolarHBondContact O-N 3.29Å
60Y95.8Very high94.8Very high7 Ų737.9 Ų37.93%0.02721%0.209CC..Hα-helixtrans-62.1-48175-176-98.6000111.7G56 W57 L58 A62 L63 K64 L69 L126 L129 G130 D184 I187G56-Y60 PolarHBondContact O-N 3.37Å; W57-Y60 AromaticContact CE3-CD1 3.72Å; W57-Y60 HydrophobicContact CE3-CD1 3.72Å; W57-Y60 HydrophobicContact CE3-CE1 4.47Å; W57-Y60 HydrophobicContact CE3-CG 4.15Å; W57-Y60 AromaticContact CZ3-CD1 3.59Å; W57-Y60 HydrophobicContact CZ3-CD1 3.59Å; W57-Y60 AromaticContact CZ3-CE1 3.91Å; W57-Y60 HydrophobicContact CZ3-CE1 3.91Å; W57-Y60 HydrophobicContact CZ3-CG 4.17Å; W57-Y60 PolarHBondContact O-N 2.88Å; L58-Y60 VanDerWaalsContact C-N 3.33Å; L58-Y60 PolarHBondContact O-N 3.4Å; Y60-A62 VanDerWaalsContact C-N 3.33Å; Y60-A62 PolarHBondContact O-N 3.37Å; Y60-L63 PolarHBondContact O-N 3.22Å; Y60-K64 HydrophobicContact CE1-CD 3.85Å; Y60-K64 VanDerWaalsContact O-CB 3.3Å; Y60-K64 WeakPolarHBondContact O-CB 3.2Å; Y60-K64 PolarHBondContact O-N 2.64Å; Y60-L69 HydrophobicContact CD1-CD1 3.8Å; Y60-L69 HydrophobicContact CE1-CD1 4.18Å; Y60-L126 HydrophobicContact CD2-CD1 3.68Å; Y60-L126 HydrophobicContact CD2-CG 4.5Å; Y60-L126 HydrophobicContact CE2-CD1 3.41Å; Y60-L126 VanDerWaalsContact CE2-CD1 3.41Å; Y60-L126 HydrophobicContact CE2-CG 3.85Å; Y60-L126 VanDerWaalsContact CE2-O 3.28Å; Y60-L126 WeakPolarHBondContact CE2-O 3.47Å; Y60-L126 HydrophobicContact CG-CD1 4.4Å; Y60-L129 HydrophobicContact CD2-CB 4.44Å; Y60-L129 HydrophobicContact CD2-CG 4.42Å; Y60-G130 VanDerWaalsContact CD2-CA 3.49Å; Y60-D184 WeakPolarHBondContact CE1-OD2 3.31Å; Y60-D184 PolarHBondContact OH-OD2 2.89Å; Y60-I187 HydrophobicContact CE1-CD1 4.43Å; Y60-I187 HydrophobicContact CE1-CG1 4.44Å
61G96.1Very high94.9Very high0 Ų040.2 Ų40.20%022%0.223CC..Hα-helixtrans-60.7-40.9176.300000112.5W57 L58 K64 G65 D66W57-G61 PolarHBondContact O-N 2.91Å; L58-G61 PolarHBondContact O-N 3.32Å; G61-K64 PolarHBondContact O-N 2.97Å; G61-G65 CarbonylContact O-C 3.59Å; G61-G65 PolarHBondContact O-N 3.32Å; G61-D66 PolarHBondContact O-N 2.95Å
62A95.1Very high95Very high63 Ų6339.6 Ų39.652%0.52122%0.22SC..Hα-helixtrans-62.7-45.7176.400000112.4L58 S59 Y60 K64 G65L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.36Å; S59-A62 PolarHBondContact O-N 3.38Å; Y60-A62 VanDerWaalsContact C-N 3.33Å; Y60-A62 PolarHBondContact O-N 3.37Å; A62-K64 VanDerWaalsContact C-N 3.34Å; A62-G65 PolarHBondContact O-N 3.34Å
63L93.5Very high95.1Very high66 Ų6639.8 Ų39.835%0.34622%0.221SC..Hα-helixtrans-66.3-36.1176.4-71.8179000112.4S59 Y60 W116 R125 L126 L129S59-L63 WeakPolarHBondContact O-CG 3.26Å; S59-L63 PolarHBondContact O-N 3.29Å; Y60-L63 PolarHBondContact O-N 3.22Å; L63-W116 HydrophobicContact CD1-CH2 4.33Å; L63-W116 HydrophobicContact CD2-CZ2 4.29Å; L63-W116 HydrophobicContact CG-CZ2 4.5Å; L63-R125 HydrophobicContact CD1-CG 3.9Å; L63-L126 HydrophobicContact CB-CD1 3.94Å; L63-L129 HydrophobicContact CD1-CD2 3.85Å
64K93.7Very high95.2Very high66 Ų6642 Ų4229%0.28724%0.235SC..Hα-helixtrans-77.1-20.4178.8-165.6174.7177.5-174.30113.4Y60 G61 A62 D66 L126 D184Y60-K64 HydrophobicContact CE1-CD 3.85Å; Y60-K64 VanDerWaalsContact O-CB 3.3Å; Y60-K64 WeakPolarHBondContact O-CB 3.2Å; Y60-K64 PolarHBondContact O-N 2.64Å; G61-K64 PolarHBondContact O-N 2.97Å; A62-K64 VanDerWaalsContact C-N 3.34Å; K64-D66 VanDerWaalsContact C-N 3.32Å; K64-D66 HydrophobicContact CB-CB 4.24Å; K64-D66 HydrophobicContact CD-CB 4.25Å; K64-D66 HydrophobicContact CG-CB 4.34Å; K64-L126 HydrophobicContact CB-CD1 3.98Å; K64-D184 IonicContact NZ-OD2 2.69Å; K64-D184 PolarHBondContact NZ-OD2 2.88Å
65G94.7Very high95.1Very high58 Ų5844.4 Ų44.460%0.59825%0.25SS*.THydrogen-bonded Turntrans74.921.3-168.700000113.6G61 A62 R67G61-G65 CarbonylContact O-C 3.59Å; G61-G65 PolarHBondContact O-N 3.32Å; A62-G65 PolarHBondContact O-N 3.34Å; G65-R67 PolarHBondContact O-N 3.23Å
66D94.7Very high95.1Very high13 Ų1342 Ų427%0.0724%0.237CC..  trans-87.2102.4-176.6-173.1-34.2000111.2G61 K64 I68 L69 I70 Y178 L182G61-D66 PolarHBondContact O-N 2.95Å; K64-D66 VanDerWaalsContact C-N 3.32Å; K64-D66 HydrophobicContact CB-CB 4.24Å; K64-D66 HydrophobicContact CD-CB 4.25Å; K64-D66 HydrophobicContact CG-CB 4.34Å; D66-I68 VanDerWaalsContact C-N 3.32Å; D66-I68 PolarHBondContact O-N 3.09Å; D66-I68 PolarHBondContact OD1-N 2.75Å; D66-L69 HydrophobicContact CB-CB 4.19Å; D66-L69 HydrophobicContact CB-CD1 4.07Å; D66-L69 HydrophobicContact CB-CG 4.47Å; D66-L69 PolarHBondContact OD1-N 2.92Å; D66-I70 WeakPolarHBondContact O-CD1 3.21Å; D66-I70 WeakPolarHBondContact O-CG1 3.47Å; D66-I70 PolarHBondContact O-N 2.92Å; D66-I70 VanDerWaalsContact O-N 3.09Å; D66-Y178 PolarHBondContact OD1-OH 2.76Å; D66-Y178 WeakPolarHBondContact OD2-CE1 3.47Å; D66-Y178 PolarHBondContact OD2-OH 3.14Å; D66-L182 WeakPolarHBondContact OD2-CD1 3.42Å
67R93.3Very high95.1Very high206 Ų20642 Ų4278%0.77724%0.237SC*.Hα-helixtrans-65.4-32.1-177.4-63.5-176.9-177.4-177.30.2113.5G65 I70 V71G65-R67 PolarHBondContact O-N 3.23Å; R67-I70 PolarHBondContact O-N 2.87Å; R67-V71 VanDerWaalsContact O-CG2 3.29Å; R67-V71 WeakPolarHBondContact O-CG2 3.47Å; R67-V71 PolarHBondContact O-N 3.48Å
68I94Very high95Very high35 Ų3544.4 Ų44.418%0.17926%0.259CS..Hα-helixtrans-70.6-46.6-176.5-56.7-56.9000109Y12 C15 V16 D66 I70 V71 V72 W175 Y178Y12-I68 HydrophobicContact CD2-CD1 4.41Å; Y12-I68 HydrophobicContact CD2-CG1 4.35Å; Y12-I68 HydrophobicContact CG-CD1 4.34Å; Y12-I68 HydrophobicContact CG-CG1 4.17Å; C15-I68 HydrophobicContact CB-CG2 4.23Å; V16-I68 HydrophobicContact CG2-CG2 4.3Å; D66-I68 VanDerWaalsContact C-N 3.32Å; D66-I68 PolarHBondContact O-N 3.09Å; D66-I68 PolarHBondContact OD1-N 2.75Å; I68-I70 VanDerWaalsContact C-N 3.32Å; I68-I70 PolarHBondContact O-N 3.39Å; I68-V71 PolarHBondContact O-N 3.44Å; I68-V72 WeakPolarHBondContact O-CG2 3.37Å; I68-V72 PolarHBondContact O-N 3.24Å; I68-V72 VanDerWaalsContact O-N 3.17Å; I68-W175 HydrophobicContact CG2-CH2 4.14Å; I68-Y178 HydrophobicContact CB-CE2 4.32Å; I68-Y178 HydrophobicContact CG1-CE2 4.25Å; I68-Y178 HydrophobicContact CG2-CE2 4.43Å
69L94.7Very high94.9Very high4 Ų444.4 Ų44.42%0.02126%0.259CS..Hα-helixtrans-58.6-42.6172.3-82174.6000112.2W57 Y60 D66 N73 W175 I187W57-L69 HydrophobicContact CE3-CD1 4.38Å; W57-L69 HydrophobicContact CE3-CD2 4.04Å; Y60-L69 HydrophobicContact CD1-CD1 3.8Å; Y60-L69 HydrophobicContact CE1-CD1 4.18Å; D66-L69 HydrophobicContact CB-CB 4.19Å; D66-L69 HydrophobicContact CB-CD1 4.07Å; D66-L69 HydrophobicContact CB-CG 4.47Å; D66-L69 PolarHBondContact OD1-N 2.92Å; L69-N73 VanDerWaalsContact O-CB 3.3Å; L69-N73 WeakPolarHBondContact O-CB 3.46Å; L69-N73 PolarHBondContact O-N 2.88Å; L69-N73 PolarHBondContact O-ND2 3.34Å; L69-W175 HydrophobicContact CD2-CE3 4.42Å; L69-W175 HydrophobicContact CD2-CH2 3.64Å; L69-W175 HydrophobicContact CD2-CZ3 3.48Å; L69-W175 VanDerWaalsContact CD2-CZ3 3.48Å; L69-W175 HydrophobicContact CG-CH2 4.2Å; L69-W175 HydrophobicContact CG-CZ3 3.99Å; L69-I187 HydrophobicContact CD1-CD1 3.78Å; L69-I187 HydrophobicContact CD1-CG1 4.5Å; L69-I187 HydrophobicContact CG-CD1 4.49Å
70I96.3Very high94.9Very high52 Ų5243.2 Ų43.227%0.26725%0.25SC..Hα-helixtrans-61.3-50.3178.9-68.8162.9000110.8L58 D66 R67 I68 T74L58-I70 HydrophobicContact CD1-CB 4.2Å; L58-I70 HydrophobicContact CD1-CG1 4.32Å; L58-I70 HydrophobicContact CD1-CG2 3.88Å; D66-I70 WeakPolarHBondContact O-CD1 3.21Å; D66-I70 WeakPolarHBondContact O-CG1 3.47Å; D66-I70 PolarHBondContact O-N 2.92Å; D66-I70 VanDerWaalsContact O-N 3.09Å; R67-I70 PolarHBondContact O-N 2.87Å; I68-I70 VanDerWaalsContact C-N 3.32Å; I68-I70 PolarHBondContact O-N 3.39Å; I70-T74 VanDerWaalsContact O-CB 3.22Å; I70-T74 WeakPolarHBondContact O-CB 3.47Å; I70-T74 PolarHBondContact O-N 2.63Å; I70-T74 PolarHBondContact O-OG1 3.32Å
71V94.8Very high94.8Very high78 Ų7845.8 Ų45.847%0.47327%0.266SS..Hα-helixtrans-62.3-53.2-174.9168.10000111.5R67 I68 N73 T74 V75R67-V71 VanDerWaalsContact O-CG2 3.29Å; R67-V71 WeakPolarHBondContact O-CG2 3.47Å; R67-V71 PolarHBondContact O-N 3.48Å; I68-V71 PolarHBondContact O-N 3.44Å; V71-N73 PolarHBondContact O-N 3.47Å; V71-T74 PolarHBondContact O-N 3.13Å; V71-V75 WeakPolarHBondContact O-CG2 3.5Å; V71-V75 PolarHBondContact O-N 3.38Å; V71-V75 VanDerWaalsContact O-N 3.1Å
72V95.1Very high94.7Very high1 Ų149.7 Ų49.71%0.00629%0.286CS..Hα-helixtrans-64.9-40.1-175.2-63.30000112.3V16 T19 I68 G76 W175V16-V72 HydrophobicContact CB-CG1 4.36Å; V16-V72 HydrophobicContact CG2-CG1 3.9Å; T19-V72 HydrophobicContact CG2-CB 4.21Å; I68-V72 WeakPolarHBondContact O-CG2 3.37Å; I68-V72 PolarHBondContact O-N 3.24Å; I68-V72 VanDerWaalsContact O-N 3.17Å; V72-G76 PolarHBondContact O-N 2.95Å; V72-W175 HydrophobicContact CB-CZ2 4.26Å; V72-W175 HydrophobicContact CG1-CZ2 4.28Å; V72-W175 HydrophobicContact CG2-CH2 3.62Å; V72-W175 HydrophobicContact CG2-CZ2 3.44Å; V72-W175 VanDerWaalsContact CG2-CZ2 3.44Å
73N96.3Very high94.5Very high12 Ų1246.8 Ų46.86%0.06426%0.262CS..Hα-helixtrans-78.3-28.2-179.3-70.4-74.1000112.4N54 W57 L58 L69 V71 G76 A77N54-N73 HydrophobicContact CB-CB 4.46Å; N54-N73 WeakPolarHBondContact O-CB 3.3Å; N54-N73 PolarHBondContact OD1-OD1 3.17Å; W57-N73 WeakPolarHBondContact CB-ND2 3.4Å; W57-N73 WeakPolarHBondContact CB-OD1 3.48Å; L58-N73 HydrophobicContact CB-CB 3.98Å; L69-N73 VanDerWaalsContact O-CB 3.3Å; L69-N73 WeakPolarHBondContact O-CB 3.46Å; L69-N73 PolarHBondContact O-N 2.88Å; L69-N73 PolarHBondContact O-ND2 3.34Å; V71-N73 PolarHBondContact O-N 3.47Å; N73-G76 PolarHBondContact O-N 3.43Å; N73-A77 VanDerWaalsContact O-CB 3.29Å; N73-A77 WeakPolarHBondContact O-CB 3.46Å; N73-A77 PolarHBondContact O-N 2.86Å
74T96.3Very high94.5Very high67 Ų6744.2 Ų44.241%0.41125%0.249SC..Hα-helixtrans-64.3-46.8170.8-60.50000110.8L58 I70 V71 G76 A77 A78L58-T74 VanDerWaalsContact CD1-OG1 3.29Å; L58-T74 WeakPolarHBondContact CD1-OG1 3.25Å; I70-T74 VanDerWaalsContact O-CB 3.22Å; I70-T74 WeakPolarHBondContact O-CB 3.47Å; I70-T74 PolarHBondContact O-N 2.63Å; I70-T74 PolarHBondContact O-OG1 3.32Å; V71-T74 PolarHBondContact O-N 3.13Å; T74-G76 VanDerWaalsContact C-N 3.32Å; T74-G76 PolarHBondContact O-N 3.37Å; T74-A77 PolarHBondContact O-N 2.96Å; T74-A78 WeakPolarHBondContact O-CB 3.24Å; T74-A78 PolarHBondContact O-N 3.41Å
75V94.9Very high94.4Very high56 Ų5646 Ų4634%0.33926%0.261SS..Hα-helixtrans-62.9-43.5176175.70000110.4L20 V71 A78 L79L20-V75 HydrophobicContact CD2-CB 4.1Å; L20-V75 HydrophobicContact CD2-CG1 3.53Å; L20-V75 HydrophobicContact CD2-CG2 4.49Å; V71-V75 WeakPolarHBondContact O-CG2 3.5Å; V71-V75 PolarHBondContact O-N 3.38Å; V71-V75 VanDerWaalsContact O-N 3.1Å; V75-A78 PolarHBondContact O-N 2.95Å; V75-L79 HydrophobicContact CG1-CD1 4.02Å; V75-L79 HydrophobicContact CG1-CG 4.45Å; V75-L79 WeakPolarHBondContact O-CG 3.47Å; V75-L79 PolarHBondContact O-N 3.07Å
76G94.6Very high94.3Very high0 Ų043.9 Ų43.90%024%0.238CC..Hα-helixtrans-56.5-50.9174.900000112.5N54 V72 N73 T74 A78 L79 Q80N54-G76 WeakPolarHBondContact ND2-CA 3.5Å; N54-G76 PolarHBondContact ND2-O 2.89Å; V72-G76 PolarHBondContact O-N 2.95Å; N73-G76 PolarHBondContact O-N 3.43Å; T74-G76 VanDerWaalsContact C-N 3.32Å; T74-G76 PolarHBondContact O-N 3.37Å; G76-A78 PolarHBondContact O-N 3.23Å; G76-L79 PolarHBondContact O-N 3.02Å; G76-Q80 WeakPolarHBondContact O-CB 3.35Å; G76-Q80 VanDerWaalsContact O-CG 3.28Å; G76-Q80 WeakPolarHBondContact O-CG 3.46Å; G76-Q80 PolarHBondContact O-N 3.46Å
77A95.1Very high94.1Very high9 Ų944.5 Ų44.57%0.07424%0.239CC..Hα-helixtrans-62.3-41.6-179.800000112.1E51 N54 L55 N73 T74 L79 Q80 T81E51-A77 VanDerWaalsContact OE2-CA 3.24Å; E51-A77 WeakPolarHBondContact OE2-CA 3.48Å; E51-A77 VanDerWaalsContact OE2-O 3.09Å; N54-A77 HydrophobicContact CB-CB 4.08Å; N54-A77 PolarHBondContact ND2-N 2.86Å; L55-A77 HydrophobicContact CD2-CB 4.03Å; N73-A77 VanDerWaalsContact O-CB 3.29Å; N73-A77 WeakPolarHBondContact O-CB 3.46Å; N73-A77 PolarHBondContact O-N 2.86Å; T74-A77 PolarHBondContact O-N 2.96Å; A77-L79 PolarHBondContact O-N 3.39Å; A77-Q80 PolarHBondContact O-N 2.96Å; A77-T81 VanDerWaalsContact O-CB 3.3Å; A77-T81 WeakPolarHBondContact O-CB 3.48Å; A77-T81 PolarHBondContact O-N 2.97Å; A77-T81 PolarHBondContact O-OG1 2.71Å
78A95.6Very high94Very high62 Ų6236.1 Ų36.151%0.51221%0.21SC..Hα-helixtrans-61.4-43.3176.100000112.3T74 V75 G76 L82T74-A78 WeakPolarHBondContact O-CB 3.24Å; T74-A78 PolarHBondContact O-N 3.41Å; V75-A78 PolarHBondContact O-N 2.95Å; G76-A78 PolarHBondContact O-N 3.23Å; A78-L82 WeakPolarHBondContact O-CB 3.3Å; A78-L82 PolarHBondContact O-N 3.4Å
79L94Very high93.8Very high39 Ų3940.3 Ų40.320%0.20423%0.228CC..Hα-helixtrans-67.8-43.2177.8-71.9174000112.2F23 V75 G76 A77 L82 Y83F23-L79 HydrophobicContact CB-CD1 3.68Å; F23-L79 HydrophobicContact CD2-CD1 4.02Å; F23-L79 HydrophobicContact CG-CD1 4.06Å; V75-L79 HydrophobicContact CG1-CD1 4.02Å; V75-L79 HydrophobicContact CG1-CG 4.45Å; V75-L79 WeakPolarHBondContact O-CG 3.47Å; V75-L79 PolarHBondContact O-N 3.07Å; G76-L79 PolarHBondContact O-N 3.02Å; A77-L79 PolarHBondContact O-N 3.39Å; L79-L82 WeakPolarHBondContact O-CB 3.38Å; L79-L82 PolarHBondContact O-N 2.84Å; L79-Y83 HydrophobicContact CB-CE2 4.11Å; L79-Y83 WeakPolarHBondContact O-CD1 3.22Å; L79-Y83 VanDerWaalsContact O-CD2 3.28Å; L79-Y83 WeakPolarHBondContact O-CD2 3.19Å; L79-Y83 PolarHBondContact O-N 3.25Å
80Q94Very high93.6Very high14 Ų1442.3 Ų42.37%0.06524%0.236CC..Hα-helixtrans-67.1-40.6178.7-69.5-55.4-1700111.8T50 E51 G76 A77 L82 Y83 I84T50-Q80 HydrophobicContact CG2-CG 3.91Å; T50-Q80 VanDerWaalsContact CG2-NE2 3.33Å; E51-Q80 HydrophobicContact CB-CB 4.15Å; E51-Q80 WeakPolarHBondContact OE2-CB 3.21Å; G76-Q80 WeakPolarHBondContact O-CB 3.35Å; G76-Q80 VanDerWaalsContact O-CG 3.28Å; G76-Q80 WeakPolarHBondContact O-CG 3.46Å; G76-Q80 PolarHBondContact O-N 3.46Å; A77-Q80 PolarHBondContact O-N 2.96Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 2.7Å; Q80-Y83 PolarHBondContact O-N 3.22Å; Q80-I84 WeakPolarHBondContact O-CD1 3.23Å; Q80-I84 VanDerWaalsContact O-CG1 3.27Å; Q80-I84 WeakPolarHBondContact O-CG1 3.28Å; Q80-I84 PolarHBondContact O-N 3.32Å
81T93.4Very high93.2Very high61 Ų6140.4 Ų40.437%0.37423%0.227SC..Hα-helixtrans-55.6-46.1168.7-72.40000111.2E51 A77 Y83 I84 L85E51-T81 PolarHBondContact OE1-OG1 2.88Å; A77-T81 VanDerWaalsContact O-CB 3.3Å; A77-T81 WeakPolarHBondContact O-CB 3.48Å; A77-T81 PolarHBondContact O-N 2.97Å; A77-T81 PolarHBondContact O-OG1 2.71Å; T81-Y83 PolarHBondContact O-N 2.98Å; T81-I84 PolarHBondContact O-N 3.28Å; T81-L85 HydrophobicContact CG2-CD1 4.07Å; T81-L85 HydrophobicContact CG2-CG 4.45Å; T81-L85 VanDerWaalsContact O-CG 3.29Å; T81-L85 WeakPolarHBondContact O-CG 3.32Å; T81-L85 PolarHBondContact O-N 2.82Å
82L94.3Very high92.6Very high81 Ų8142 Ų4242%0.42424%0.239SC..Hα-helixtrans-59.6-43.8176.117666.5000112.1L30 A78 L79 Q80 L85 A86L30-L82 HydrophobicContact CD2-CD2 3.91Å; L30-L82 HydrophobicContact CD2-CG 4.33Å; A78-L82 WeakPolarHBondContact O-CB 3.3Å; A78-L82 PolarHBondContact O-N 3.4Å; L79-L82 WeakPolarHBondContact O-CB 3.38Å; L79-L82 PolarHBondContact O-N 2.84Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 2.7Å; L82-L85 PolarHBondContact O-N 3.45Å; L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 3.49Å
83Y92.3Very high92Very high2 Ų251.4 Ų51.41%0.00827%0.274CS..Hα-helixtrans-65.7-40.8178.4-57.2-29000112.1F23 G26 L27 L30 F47 L79 Q80 T81 A86 Y87F23-Y83 PolarHBondContact O-OH 3.5Å; G26-Y83 VanDerWaalsContact C-CZ 3.47Å; L27-Y83 HydrophobicContact CD2-CE1 4.24Å; L27-Y83 WeakPolarHBondContact CD2-OH 3.41Å; L27-Y83 PolarHBondContact N-OH 3.47Å; L30-Y83 HydrophobicContact CB-CD1 3.98Å; L30-Y83 HydrophobicContact CB-CE1 3.91Å; L30-Y83 HydrophobicContact CD1-CD1 4.42Å; L30-Y83 HydrophobicContact CD2-CD1 4.23Å; L30-Y83 HydrophobicContact CD2-CE1 3.99Å; L30-Y83 HydrophobicContact CG-CD1 4.43Å; L30-Y83 HydrophobicContact CG-CE1 4.48Å; F47-Y83 AromaticContact CD1-CD2 4Å; F47-Y83 HydrophobicContact CD1-CD2 4Å; F47-Y83 HydrophobicContact CD1-CG 4.37Å; F47-Y83 HydrophobicContact CE1-CD2 4.02Å; F47-Y83 HydrophobicContact CE1-CG 4.28Å; L79-Y83 HydrophobicContact CB-CE2 4.11Å; L79-Y83 WeakPolarHBondContact O-CD1 3.22Å; L79-Y83 VanDerWaalsContact O-CD2 3.28Å; L79-Y83 WeakPolarHBondContact O-CD2 3.19Å; L79-Y83 PolarHBondContact O-N 3.25Å; Q80-Y83 PolarHBondContact O-N 3.22Å; T81-Y83 PolarHBondContact O-N 2.98Å; Y83-A86 PolarHBondContact O-N 3.26Å; Y83-Y87 WeakPolarHBondContact O-CB 3.42Å; Y83-Y87 PolarHBondContact O-N 3.35Å
84I92.2Very high91.4Very high13 Ų1356 Ų567%0.06729%0.294CS..Hα-helixtrans-61.1-45.6175.2-69.7161.7000110.7F44 F47 L48 E51 Q80 T81 Y87 L88F44-I84 HydrophobicContact CE2-CB 4.29Å; F44-I84 HydrophobicContact CE2-CG1 4.08Å; F44-I84 HydrophobicContact CE2-CG2 4.01Å; F44-I84 HydrophobicContact CZ-CG1 4.49Å; F44-I84 HydrophobicContact CZ-CG2 4.05Å; F47-I84 HydrophobicContact CB-CG1 3.91Å; L48-I84 HydrophobicContact CD2-CD1 3.9Å; L48-I84 HydrophobicContact CD2-CG1 4.28Å; E51-I84 HydrophobicContact CB-CD1 4.15Å; E51-I84 HydrophobicContact CG-CD1 4.31Å; Q80-I84 WeakPolarHBondContact O-CD1 3.23Å; Q80-I84 VanDerWaalsContact O-CG1 3.27Å; Q80-I84 WeakPolarHBondContact O-CG1 3.28Å; Q80-I84 PolarHBondContact O-N 3.32Å; T81-I84 PolarHBondContact O-N 3.28Å; I84-Y87 PolarHBondContact O-N 3.4Å; I84-L88 HydrophobicContact CG2-CD1 4.05Å; I84-L88 WeakPolarHBondContact O-CB 3.47Å; I84-L88 WeakPolarHBondContact O-CG 3.31Å; I84-L88 PolarHBondContact O-N 3Å
85L92.1Very high91Very high104 Ų10462.7 Ų62.755%0.54531%0.311SS..Hα-helixtrans-64.1-43.3178-69.6175.2000112T81 L82 L88 H89T81-L85 HydrophobicContact CG2-CD1 4.07Å; T81-L85 HydrophobicContact CG2-CG 4.45Å; T81-L85 VanDerWaalsContact O-CG 3.29Å; T81-L85 WeakPolarHBondContact O-CG 3.32Å; T81-L85 PolarHBondContact O-N 2.82Å; L82-L85 PolarHBondContact O-N 3.45Å; L85-L88 PolarHBondContact O-N 3.17Å; L85-H89 WeakPolarHBondContact O-CB 3.28Å; L85-H89 PolarHBondContact O-N 2.73Å
86A92.2Very high90.5Very high13 Ų1364 Ų6411%0.10732%0.319CS..Hα-helixtrans-62.6-43.6175.400000111.7L30 M33 L82 Y83 L88 H89 Y90L30-A86 HydrophobicContact CD1-CB 3.35Å; M33-A86 HydrophobicContact CE-CB 4.24Å; L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 3.49Å; Y83-A86 PolarHBondContact O-N 3.26Å; A86-L88 PolarHBondContact O-N 3.44Å; A86-H89 WeakPolarHBondContact O-CB 3.46Å; A86-H89 PolarHBondContact O-N 2.95Å; A86-H89 VanDerWaalsContact O-N 3.15Å; A86-Y90 WeakPolarHBondContact O-CD2 3.11Å; A86-Y90 PolarHBondContact O-N 3.19Å; A86-Y90 VanDerWaalsContact O-N 3.1Å
87Y91.8Very high90.1Very high26 Ų2664.2 Ų64.210%0.10232%0.321CS..Hα-helixtrans-60.8-46.4176.8-163.2-80000111.4M33 V39 V42 F44 F47 Y83 I84 H89 Y90 C91 V97M33-Y87 HydrophobicContact SD-CD2 3.8Å; M33-Y87 HydrophobicContact SD-CG 4.38Å; V39-Y87 HydrophobicContact CB-CD2 4.03Å; V39-Y87 HydrophobicContact CB-CE1 4.23Å; V39-Y87 HydrophobicContact CB-CE2 3.58Å; V39-Y87 HydrophobicContact CG1-CD1 4.19Å; V39-Y87 HydrophobicContact CG1-CD2 3.79Å; V39-Y87 HydrophobicContact CG1-CE1 4.25Å; V39-Y87 HydrophobicContact CG1-CE2 3.88Å; V39-Y87 HydrophobicContact CG1-CG 3.96Å; V39-Y87 HydrophobicContact CG2-CE1 4.15Å; V39-Y87 HydrophobicContact CG2-CE2 4.26Å; V42-Y87 HydrophobicContact CB-CE2 4.03Å; V42-Y87 HydrophobicContact CG1-CD2 4.05Å; V42-Y87 HydrophobicContact CG1-CE2 3.89Å; V42-Y87 VanDerWaalsContact O-CE2 3.31Å; V42-Y87 WeakPolarHBondContact O-CE2 3.31Å; V42-Y87 PolarHBondContact O-OH 3.31Å; V42-Y87 VanDerWaalsContact O-OH 3.11Å; F44-Y87 HydrophobicContact CB-CD1 4.2Å; F44-Y87 HydrophobicContact CB-CE1 3.76Å; F44-Y87 HydrophobicContact CB-CE2 4.09Å; F44-Y87 AromaticContact CD2-CD1 3.47Å; F44-Y87 HydrophobicContact CD2-CD1 3.47Å; F44-Y87 VanDerWaalsContact CD2-CD1 3.47Å; F44-Y87 HydrophobicContact CD2-CD2 4.13Å; F44-Y87 AromaticContact CD2-CE1 3.93Å; F44-Y87 HydrophobicContact CD2-CE1 3.93Å; F44-Y87 AromaticContact CD2-CG 3.59Å; F44-Y87 HydrophobicContact CD2-CG 3.59Å; F44-Y87 HydrophobicContact CE2-CD1 4.09Å; F44-Y87 HydrophobicContact CE2-CG 4.23Å; F44-Y87 HydrophobicContact CG-CD1 4.01Å; F44-Y87 HydrophobicContact CG-CE1 4Å; F44-Y87 HydrophobicContact CG-CG 4.43Å; F47-Y87 HydrophobicContact CD2-CD2 4.39Å; F47-Y87 HydrophobicContact CE2-CD2 4.01Å; Y83-Y87 WeakPolarHBondContact O-CB 3.42Å; Y83-Y87 PolarHBondContact O-N 3.35Å; I84-Y87 PolarHBondContact O-N 3.4Å; Y87-H89 PolarHBondContact O-N 2.82Å; Y87-Y90 PolarHBondContact O-N 2.91Å; Y87-C91 HydrophobicContact CD1-CB 4.01Å; Y87-C91 HydrophobicContact CE1-CB 3.98Å; Y87-C91 WeakPolarHBondContact O-CB 3.23Å; Y87-C91 PolarHBondContact O-N 3.02Å; Y87-V97 HydrophobicContact CD1-CG1 4.08Å; Y87-V97 HydrophobicContact CD1-CG2 4.22Å; Y87-V97 HydrophobicContact CE1-CG2 3.92Å
88L89.9Confident89.7Confident30 Ų3068.4 Ų68.416%0.15734%0.341CS..Hα-helixtrans-60.5-32.6175.6-80.8168.1000112.9I84 L85 A86 K94 V97 L98I84-L88 HydrophobicContact CG2-CD1 4.05Å; I84-L88 WeakPolarHBondContact O-CB 3.47Å; I84-L88 WeakPolarHBondContact O-CG 3.31Å; I84-L88 PolarHBondContact O-N 3Å; L85-L88 PolarHBondContact O-N 3.17Å; A86-L88 PolarHBondContact O-N 3.44Å; L88-K94 WeakPolarHBondContact O-CE 3.3Å; L88-V97 HydrophobicContact CD2-CB 3.8Å; L88-V97 HydrophobicContact CD2-CG1 3.32Å; L88-V97 HydrophobicContact CG-CG1 3.82Å; L88-L98 HydrophobicContact CD2-CD2 3.88Å; L88-L98 HydrophobicContact CD2-CG 4.04Å
89H90.8Very high89.4Confident122 Ų12270.4 Ų70.457%0.56534%0.343SS*.Hα-helixtrans-70.4-45.3178.6-17479.2000112.1L85 A86 Y87L85-H89 WeakPolarHBondContact O-CB 3.28Å; L85-H89 PolarHBondContact O-N 2.73Å; A86-H89 WeakPolarHBondContact O-CB 3.46Å; A86-H89 PolarHBondContact O-N 2.95Å; A86-H89 VanDerWaalsContact O-N 3.15Å; Y87-H89 PolarHBondContact O-N 2.82Å
90Y89.4Confident89Confident47 Ų4772.1 Ų72.118%0.18435%0.35CS..Hα-helixtrans-91.6-12.9-176.2-62.8-63.8000114.4M33 R37 A86 Y87M33-Y90 HydrophobicContact CB-CD2 3.91Å; M33-Y90 HydrophobicContact CB-CE2 4.37Å; R37-Y90 HydrophobicContact CB-CD1 4.41Å; A86-Y90 WeakPolarHBondContact O-CD2 3.11Å; A86-Y90 PolarHBondContact O-N 3.19Å; A86-Y90 VanDerWaalsContact O-N 3.1Å; Y87-Y90 PolarHBondContact O-N 2.91Å
91C88.7Confident88.7Confident12 Ų1272.7 Ų72.78%0.08135%0.354CS..  trans-74.4130.4-178.7-176.90000112.3V39 Y87 R93 V97V39-C91 HydrophobicContact CG1-CB 4.2Å; V39-C91 HydrophobicContact CG2-CB 4Å; Y87-C91 HydrophobicContact CD1-CB 4.01Å; Y87-C91 HydrophobicContact CE1-CB 3.98Å; Y87-C91 WeakPolarHBondContact O-CB 3.23Å; Y87-C91 PolarHBondContact O-N 3.02Å; C91-R93 PolarHBondContact SG-N 2.88Å; C91-R93 VanDerWaalsContact SG-N 3.42Å; C91-V97 HydrophobicContact CB-CG2 4.39Å
92P81.3Confident88.4Confident111 Ų11172.5 Ų72.572%0.72136%0.359SS*.SBendtrans-71.3-33.8175.926.6-33.1000112.8K94P92-K94 PolarHBondContact O-N 2.93Å
93R82.6Confident88.1Confident199 Ų19973 Ų7375%0.75137%0.366SS*.  trans-10266.1-175.7-66.7-175.1-175.3168.22.5112.3C91 R95 V96C91-R93 PolarHBondContact SG-N 2.88Å; C91-R93 VanDerWaalsContact SG-N 3.42Å; R93-R95 VanDerWaalsContact C-N 3.26Å; R93-R95 PolarHBondContact O-N 3.31Å; R93-R95 VanDerWaalsContact O-N 3.17Å; R93-V96 PolarHBondContact O-N 3.5Å
94K85.1Confident87.8Confident109 Ų10974.1 Ų74.147%0.47437%0.371SS..Hα-helixtrans-56.6-33.8-175.9-61.6-175.9179-177.70114.5L88 P92 V96 V97 L98L88-K94 WeakPolarHBondContact O-CE 3.3Å; P92-K94 PolarHBondContact O-N 2.93Å; K94-V96 PolarHBondContact O-N 2.85Å; K94-V97 PolarHBondContact O-N 3.41Å; K94-L98 HydrophobicContact CB-CD1 4.24Å; K94-L98 VanDerWaalsContact O-CB 3.3Å; K94-L98 WeakPolarHBondContact O-CB 3.41Å; K94-L98 WeakPolarHBondContact O-CG 3.22Å; K94-L98 PolarHBondContact O-N 3.15Å
95R85.9Confident87.5Confident206 Ų20678.2 Ų78.278%0.77739%0.393SS*.Hα-helixtrans-58.4-43.3-176-173.2178179.1-173.4-0.1113R93 L99R93-R95 VanDerWaalsContact C-N 3.26Å; R93-R95 PolarHBondContact O-N 3.31Å; R93-R95 VanDerWaalsContact O-N 3.17Å; R95-L99 HydrophobicContact CG-CD1 4.22Å; R95-L99 WeakPolarHBondContact O-CB 3.45Å; R95-L99 VanDerWaalsContact O-CG 3.28Å; R95-L99 WeakPolarHBondContact O-CG 3.07Å; R95-L99 PolarHBondContact O-N 3.36Å
96V85.6Confident87.3Confident83 Ų8374.7 Ų74.750%0.50338%0.381SS..Hα-helixtrans-67.2-47.1-179.2177.60000110.2R93 K94 L98 L99 Q100R93-V96 PolarHBondContact O-N 3.5Å; K94-V96 PolarHBondContact O-N 2.85Å; V96-L98 PolarHBondContact O-N 3.34Å; V96-L99 PolarHBondContact O-N 2.85Å; V96-Q100 WeakPolarHBondContact O-CG 3.37Å; V96-Q100 PolarHBondContact O-N 2.89Å
97V85.4Confident87.1Confident6 Ų677.8 Ų77.84%0.03640%0.399CS..Hα-helixtrans-61.5-45.7179.2-173.20000110.6F44 Y87 L88 C91 K94 L99 Q100 T101F44-V97 HydrophobicContact CD1-CG1 3.8Å; F44-V97 HydrophobicContact CD2-CG1 4.01Å; F44-V97 HydrophobicContact CE1-CB 4.22Å; F44-V97 HydrophobicContact CE1-CG1 3.32Å; F44-V97 HydrophobicContact CE2-CG1 3.6Å; F44-V97 HydrophobicContact CG-CG1 4.11Å; F44-V97 HydrophobicContact CZ-CG1 3.23Å; Y87-V97 HydrophobicContact CD1-CG1 4.08Å; Y87-V97 HydrophobicContact CD1-CG2 4.22Å; Y87-V97 HydrophobicContact CE1-CG2 3.92Å; L88-V97 HydrophobicContact CD2-CB 3.8Å; L88-V97 HydrophobicContact CD2-CG1 3.32Å; L88-V97 HydrophobicContact CG-CG1 3.82Å; C91-V97 HydrophobicContact CB-CG2 4.39Å; K94-V97 PolarHBondContact O-N 3.41Å; V97-L99 PolarHBondContact O-N 3.49Å; V97-Q100 PolarHBondContact O-N 3.36Å; V97-T101 PolarHBondContact O-N 3.28Å; V97-T101 PolarHBondContact O-OG1 3.46Å
98L86.8Confident86.9Confident97 Ų9778.7 Ų78.751%0.50841%0.405SS..Hα-helixtrans-62.4-41176.8-73.7171000112.5L88 K94 V96 T101 A102L88-L98 HydrophobicContact CD2-CD2 3.88Å; L88-L98 HydrophobicContact CD2-CG 4.04Å; K94-L98 HydrophobicContact CB-CD1 4.24Å; K94-L98 VanDerWaalsContact O-CB 3.3Å; K94-L98 WeakPolarHBondContact O-CB 3.41Å; K94-L98 WeakPolarHBondContact O-CG 3.22Å; K94-L98 PolarHBondContact O-N 3.15Å; V96-L98 PolarHBondContact O-N 3.34Å; L98-T101 PolarHBondContact O-N 3.1Å; L98-A102 VanDerWaalsContact O-CB 3.23Å; L98-A102 WeakPolarHBondContact O-CB 3.24Å; L98-A102 PolarHBondContact O-N 3.3Å
99L88.9Confident86.7Confident103 Ų10383.2 Ų83.254%0.53943%0.429SS..Hα-helixtrans-63-45174.9-75.9170000111R95 V96 V97 T101 A102 T103R95-L99 HydrophobicContact CG-CD1 4.22Å; R95-L99 WeakPolarHBondContact O-CB 3.45Å; R95-L99 VanDerWaalsContact O-CG 3.28Å; R95-L99 WeakPolarHBondContact O-CG 3.07Å; R95-L99 PolarHBondContact O-N 3.36Å; V96-L99 PolarHBondContact O-N 2.85Å; V97-L99 PolarHBondContact O-N 3.49Å; L99-T101 PolarHBondContact O-N 2.93Å; L99-A102 PolarHBondContact O-N 3.4Å; L99-T103 PolarHBondContact O-N 2.87Å; L99-T103 PolarHBondContact O-OG1 2.66Å
100Q87.3Confident86.6Confident76 Ų7683.8 Ų83.836%0.35544%0.436SS..Hα-helixtrans-62-43.8176.9-71.3178.3-41.400112.1F44 L48 V96 V97 T103 L104F44-Q100 HydrophobicContact CE1-CB 4.13Å; L48-Q100 HydrophobicContact CD1-CB 3.7Å; V96-Q100 WeakPolarHBondContact O-CG 3.37Å; V96-Q100 PolarHBondContact O-N 2.89Å; V97-Q100 PolarHBondContact O-N 3.36Å; Q100-T103 PolarHBondContact O-N 3.39Å; Q100-L104 PolarHBondContact O-N 3.39Å
101T86Confident86.6Confident25 Ų2582.8 Ų82.815%0.15344%0.44CS..Hα-helixtrans-63.9-41.6174.4-54.20000111.8F44 V97 L98 L99 L104 L105F44-T101 WeakPolarHBondContact CZ-OG1 3.31Å; V97-T101 PolarHBondContact O-N 3.28Å; V97-T101 PolarHBondContact O-OG1 3.46Å; L98-T101 PolarHBondContact O-N 3.1Å; L99-T101 PolarHBondContact O-N 2.93Å; T101-L104 VanDerWaalsContact O-CB 3.24Å; T101-L104 WeakPolarHBondContact O-CB 3.4Å; T101-L104 PolarHBondContact O-N 2.98Å; T101-L105 HydrophobicContact CG2-CD1 4.44Å; T101-L105 WeakPolarHBondContact O-CG 3.46Å; T101-L105 PolarHBondContact O-N 3.39Å
102A87.2Confident86.4Confident58 Ų5888.5 Ų88.548%0.47946%0.46SS..Hα-helixtrans-64.9-40.7177.200000111.7L98 L99 L104 L105 G106L98-A102 VanDerWaalsContact O-CB 3.23Å; L98-A102 WeakPolarHBondContact O-CB 3.24Å; L98-A102 PolarHBondContact O-N 3.3Å; L99-A102 PolarHBondContact O-N 3.4Å; A102-L104 VanDerWaalsContact C-N 3.31Å; A102-L104 PolarHBondContact O-N 2.86Å; A102-L105 PolarHBondContact O-N 3.22Å; A102-G106 PolarHBondContact O-N 3.34Å
103T87.9Confident86.7Confident92 Ų9284.1 Ų84.156%0.56444%0.435SS*.Hα-helixtrans-59.6-43.2171.5-57.70000110.9L99 Q100 G106 V107L99-T103 PolarHBondContact O-N 2.87Å; L99-T103 PolarHBondContact O-OG1 2.66Å; Q100-T103 PolarHBondContact O-N 3.39Å; T103-G106 PolarHBondContact O-N 3.01Å; T103-V107 WeakPolarHBondContact O-CG2 3.2Å; T103-V107 PolarHBondContact O-N 2.94Å
104L86Confident87Confident25 Ų2579.6 Ų79.613%0.13142%0.419CS..Hα-helixtrans-57.1-52.2175.8-160.776.8000111.9L48 E51 V52 Q100 T101 A102 G106 V107 L108L48-L104 HydrophobicContact CB-CD1 4.15Å; L48-L104 HydrophobicContact CB-CD2 4.15Å; L48-L104 HydrophobicContact CD2-CB 4.41Å; L48-L104 HydrophobicContact CD2-CD2 3.62Å; L48-L104 HydrophobicContact CD2-CG 4.46Å; L48-L104 HydrophobicContact CG-CD2 4.45Å; E51-L104 HydrophobicContact CB-CD2 4.43Å; E51-L104 HydrophobicContact CG-CD2 4.44Å; V52-L104 HydrophobicContact CG2-CD1 3.14Å; V52-L104 HydrophobicContact CG2-CD2 3.94Å; V52-L104 HydrophobicContact CG2-CG 3.58Å; Q100-L104 PolarHBondContact O-N 3.39Å; T101-L104 VanDerWaalsContact O-CB 3.24Å; T101-L104 WeakPolarHBondContact O-CB 3.4Å; T101-L104 PolarHBondContact O-N 2.98Å; A102-L104 VanDerWaalsContact C-N 3.31Å; A102-L104 PolarHBondContact O-N 2.86Å; L104-G106 VanDerWaalsContact C-N 3.29Å; L104-G106 PolarHBondContact O-N 3.33Å; L104-V107 PolarHBondContact O-N 2.9Å; L104-L108 HydrophobicContact CD2-CD1 4.45Å; L104-L108 HydrophobicContact CG-CD1 4.29Å; L104-L108 WeakPolarHBondContact O-CG 3.44Å; L104-L108 PolarHBondContact O-N 3.48Å
105L86.5Confident87.2Confident99 Ų9975.2 Ų75.252%0.51840%0.4SS..Hα-helixtrans-60.8-40.6179-68.7174.3000111T101 A102 L108 L109T101-L105 HydrophobicContact CG2-CD1 4.44Å; T101-L105 WeakPolarHBondContact O-CG 3.46Å; T101-L105 PolarHBondContact O-N 3.39Å; A102-L105 PolarHBondContact O-N 3.22Å; L105-L108 PolarHBondContact O-N 3.37Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 2.93Å
106G87.6Confident87.2Confident29 Ų2969.1 Ų69.130%0.29938%0.377SS..Hα-helixtrans-59.4-47.917400000112.6A102 T103 L104 L108 L109 L110A102-G106 PolarHBondContact O-N 3.34Å; T103-G106 PolarHBondContact O-N 3.01Å; L104-G106 VanDerWaalsContact C-N 3.29Å; L104-G106 PolarHBondContact O-N 3.33Å; G106-L108 PolarHBondContact O-N 3.45Å; G106-L109 PolarHBondContact O-N 2.95Å; G106-L110 WeakPolarHBondContact O-CB 3.45Å; G106-L110 VanDerWaalsContact O-CG 3.26Å; G106-L110 WeakPolarHBondContact O-CG 3.26Å; G106-L110 PolarHBondContact O-N 3.19Å
107V87.9Confident87.3Confident79 Ų7972 Ų7248%0.47939%0.389SS..Hα-helixtrans-61.7-43.3176.7171.20000111.3T103 L104 L110 G111T103-V107 WeakPolarHBondContact O-CG2 3.2Å; T103-V107 PolarHBondContact O-N 2.94Å; L104-V107 PolarHBondContact O-N 2.9Å; V107-L110 PolarHBondContact O-N 3.35Å; V107-G111 PolarHBondContact O-N 3.03Å
108L87.7Confident87.4Confident45 Ų4577.7 Ų77.724%0.23642%0.418CS..Hα-helixtrans-64.2-43.3177.5-72.8171.3000112.1V52 L55 L104 L105 G106 G111 Y112V52-L108 HydrophobicContact CB-CD2 4.5Å; V52-L108 HydrophobicContact CG1-CD2 4.24Å; V52-L108 HydrophobicContact CG2-CD1 4.37Å; V52-L108 HydrophobicContact CG2-CD2 4.08Å; V52-L108 HydrophobicContact CG2-CG 4.25Å; L55-L108 HydrophobicContact CD1-CD1 3.67Å; L55-L108 HydrophobicContact CD1-CD2 4.38Å; L104-L108 HydrophobicContact CD2-CD1 4.45Å; L104-L108 HydrophobicContact CG-CD1 4.29Å; L104-L108 WeakPolarHBondContact O-CG 3.44Å; L104-L108 PolarHBondContact O-N 3.48Å; L105-L108 PolarHBondContact O-N 3.37Å; G106-L108 PolarHBondContact O-N 3.45Å; L108-G111 PolarHBondContact O-N 2.91Å; L108-Y112 VanDerWaalsContact O-CB 3.31Å; L108-Y112 WeakPolarHBondContact O-CB 3.44Å; L108-Y112 PolarHBondContact O-N 3.36Å
109L86.6Confident87.5Confident125 Ų12573.6 Ų73.665%0.65440%0.397SS*.Hα-helixtrans-64.5-44.1177.4-74171.2000111.8L105 G106 Y112 G113L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 2.93Å; G106-L109 PolarHBondContact O-N 2.95Å; L109-Y112 PolarHBondContact O-N 3.11Å; L109-G113 PolarHBondContact O-N 3.29Å
110L89.3Confident87.2Confident134 Ų13473.8 Ų73.870%0.70240%0.404SS*.Hα-helixtrans-64.5-43.2176.2-70.8174.3000111.4G106 V107 G113 Y114G106-L110 WeakPolarHBondContact O-CB 3.45Å; G106-L110 VanDerWaalsContact O-CG 3.26Å; G106-L110 WeakPolarHBondContact O-CG 3.26Å; G106-L110 PolarHBondContact O-N 3.19Å; V107-L110 PolarHBondContact O-N 3.35Å; L110-G113 PolarHBondContact O-N 3.33Å; L110-Y114 WeakPolarHBondContact O-CB 3.47Å; L110-Y114 PolarHBondContact O-N 3.23Å
111G87.7Confident87.4Confident26 Ų2674.2 Ų74.227%0.26841%0.409SS..Hα-helixtrans-60.8-46.917500000111.9V107 L108 G113 Y114 F115V107-G111 PolarHBondContact O-N 3.03Å; L108-G111 PolarHBondContact O-N 2.91Å; G111-G113 PolarHBondContact O-N 3.39Å; G111-Y114 PolarHBondContact O-N 2.87Å; G111-F115 WeakPolarHBondContact O-CD2 3.48Å; G111-F115 PolarHBondContact O-N 2.92Å
112Y86.2Confident87.6Confident132 Ų13277.7 Ų77.752%0.51843%0.432SS..Hα-helixtrans-58.9-46.7175.1-177.1-94.9000111.5L108 L109 Y114 F115 W116L108-Y112 VanDerWaalsContact O-CB 3.31Å; L108-Y112 WeakPolarHBondContact O-CB 3.44Å; L108-Y112 PolarHBondContact O-N 3.36Å; L109-Y112 PolarHBondContact O-N 3.11Å; Y112-Y114 PolarHBondContact O-N 3.42Å; Y112-F115 PolarHBondContact O-N 3.48Å; Y112-W116 AromaticContact CD2-CD2 3.92Å; Y112-W116 HydrophobicContact CD2-CD2 3.92Å; Y112-W116 AromaticContact CD2-CE3 3.58Å; Y112-W116 HydrophobicContact CD2-CE3 3.58Å; Y112-W116 HydrophobicContact CD2-CH2 4.4Å; Y112-W116 AromaticContact CD2-CZ3 3.86Å; Y112-W116 HydrophobicContact CD2-CZ3 3.86Å; Y112-W116 HydrophobicContact CE1-CB 4.38Å; Y112-W116 HydrophobicContact CE1-CG 4.39Å; Y112-W116 AromaticContact CE2-CD2 3.55Å; Y112-W116 HydrophobicContact CE2-CD2 3.55Å; Y112-W116 AromaticContact CE2-CE2 3.75Å; Y112-W116 AromaticContact CE2-CE3 3.72Å; Y112-W116 HydrophobicContact CE2-CE3 3.72Å; Y112-W116 AromaticContact CE2-CG 3.97Å; Y112-W116 HydrophobicContact CE2-CG 3.97Å; Y112-W116 HydrophobicContact CE2-CH2 4.34Å; Y112-W116 HydrophobicContact CE2-CZ2 4.16Å; Y112-W116 HydrophobicContact CE2-CZ3 4.13Å; Y112-W116 HydrophobicContact CG-CE3 4.23Å; Y112-W116 AromaticContact CZ-CD2 3.99Å; Y112-W116 AromaticContact CZ-CG 3.89Å; Y112-W116 WeakPolarHBondContact O-CB 3.28Å; Y112-W116 PolarHBondContact O-N 3.45Å
113G86.3Confident87.8Confident19 Ų1981 Ų8120%0.19644%0.438CS..Hα-helixtrans-56.9-4717500000112.5L109 L110 G111 L117L109-G113 PolarHBondContact O-N 3.29Å; L110-G113 PolarHBondContact O-N 3.33Å; G111-G113 PolarHBondContact O-N 3.39Å; G113-L117 WeakPolarHBondContact O-CA 3.43Å; G113-L117 WeakPolarHBondContact O-CB 3.39Å; G113-L117 WeakPolarHBondContact O-CG 3.25Å; G113-L117 PolarHBondContact O-N 3.29Å
114Y90Very high88Confident104 Ų10478 Ų7841%0.40842%0.423SS..Iπ-helixtrans-57.9-54.6176172.6-94.8000111.9L110 G111 Y112 W116 L118 V119 Q128L110-Y114 WeakPolarHBondContact O-CB 3.47Å; L110-Y114 PolarHBondContact O-N 3.23Å; G111-Y114 PolarHBondContact O-N 2.87Å; Y112-Y114 PolarHBondContact O-N 3.42Å; Y114-W116 PolarHBondContact O-N 2.88Å; Y114-L118 HydrophobicContact CD2-CB 4.36Å; Y114-L118 HydrophobicContact CD2-CD1 3.98Å; Y114-L118 WeakPolarHBondContact O-CA 3.48Å; Y114-L118 VanDerWaalsContact O-CB 3.3Å; Y114-L118 WeakPolarHBondContact O-CB 3.36Å; Y114-L118 PolarHBondContact O-N 2.96Å; Y114-V119 HydrophobicContact CD1-CG2 4.36Å; Y114-V119 HydrophobicContact CE1-CG2 3.83Å; Y114-V119 PolarHBondContact O-N 3.3Å; Y114-Q128 PolarHBondContact OH-OE1 3.3Å
115F88.2Confident88.3Confident17 Ų1778.5 Ų78.58%0.07542%0.423CS..Iπ-helixtrans-68.1-38.5-174.8-76-65.8000113.3G111 Y112 R125 Q128 L129 F132G111-F115 WeakPolarHBondContact O-CD2 3.48Å; G111-F115 PolarHBondContact O-N 2.92Å; Y112-F115 PolarHBondContact O-N 3.48Å; F115-R125 HydrophobicContact CB-CG 4.26Å; F115-R125 HydrophobicContact CD1-CG 4.2Å; F115-R125 WeakPolarHBondContact O-CD 3.48Å; F115-R125 VanDerWaalsContact O-CZ 3.27Å; F115-R125 PolarHBondContact O-NE 3.12Å; F115-Q128 HydrophobicContact CE1-CB 3.76Å; F115-L129 HydrophobicContact CD1-CB 4.32Å; F115-L129 HydrophobicContact CD2-CD1 4.02Å; F115-L129 HydrophobicContact CE1-CB 3.91Å; F115-L129 HydrophobicContact CE1-CD1 4.36Å; F115-L129 HydrophobicContact CE2-CD1 3.64Å; F115-L129 HydrophobicContact CZ-CB 4.12Å; F115-L129 HydrophobicContact CZ-CD1 3.83Å; F115-F132 HydrophobicContact CZ-CB 4.27Å
116W86.4Confident88.7Confident78 Ų7875.7 Ų75.730%0.29541%0.408SS..Iπ-helixtrans-88.6-30-175.5-88.5-107.9000114.1L63 Y112 Y114 R125L63-W116 HydrophobicContact CD1-CH2 4.33Å; L63-W116 HydrophobicContact CD2-CZ2 4.29Å; L63-W116 HydrophobicContact CG-CZ2 4.5Å; Y112-W116 AromaticContact CD2-CD2 3.92Å; Y112-W116 HydrophobicContact CD2-CD2 3.92Å; Y112-W116 AromaticContact CD2-CE3 3.58Å; Y112-W116 HydrophobicContact CD2-CE3 3.58Å; Y112-W116 HydrophobicContact CD2-CH2 4.4Å; Y112-W116 AromaticContact CD2-CZ3 3.86Å; Y112-W116 HydrophobicContact CD2-CZ3 3.86Å; Y112-W116 HydrophobicContact CE1-CB 4.38Å; Y112-W116 HydrophobicContact CE1-CG 4.39Å; Y112-W116 AromaticContact CE2-CD2 3.55Å; Y112-W116 HydrophobicContact CE2-CD2 3.55Å; Y112-W116 AromaticContact CE2-CE2 3.75Å; Y112-W116 AromaticContact CE2-CE3 3.72Å; Y112-W116 HydrophobicContact CE2-CE3 3.72Å; Y112-W116 AromaticContact CE2-CG 3.97Å; Y112-W116 HydrophobicContact CE2-CG 3.97Å; Y112-W116 HydrophobicContact CE2-CH2 4.34Å; Y112-W116 HydrophobicContact CE2-CZ2 4.16Å; Y112-W116 HydrophobicContact CE2-CZ3 4.13Å; Y112-W116 HydrophobicContact CG-CE3 4.23Å; Y112-W116 AromaticContact CZ-CD2 3.99Å; Y112-W116 AromaticContact CZ-CG 3.89Å; Y112-W116 WeakPolarHBondContact O-CB 3.28Å; Y112-W116 PolarHBondContact O-N 3.45Å; Y114-W116 PolarHBondContact O-N 2.88Å; W116-R125 PolarHBondContact O-NH2 2.92Å
117L87.4Confident89Confident143 Ų14378.7 Ų78.775%0.74941%0.414SS*.Iπ-helixtrans-99.3-37-177.4-52.7174.5000112.8G113G113-L117 WeakPolarHBondContact O-CA 3.43Å; G113-L117 WeakPolarHBondContact O-CB 3.39Å; G113-L117 WeakPolarHBondContact O-CG 3.25Å; G113-L117 PolarHBondContact O-N 3.29Å
118L88Confident89.3Confident126 Ų12678.3 Ų78.366%0.6641%0.407SS*.Iπ-helixtrans-101-15.5-171.8-56.4179.3000113.9Y114 P120Y114-L118 HydrophobicContact CD2-CB 4.36Å; Y114-L118 HydrophobicContact CD2-CD1 3.98Å; Y114-L118 WeakPolarHBondContact O-CA 3.48Å; Y114-L118 VanDerWaalsContact O-CB 3.3Å; Y114-L118 WeakPolarHBondContact O-CB 3.36Å; Y114-L118 PolarHBondContact O-N 2.96Å; L118-P120 WeakPolarHBondContact O-CD 3.43Å
119V88.9Confident89.6Confident10 Ų1076.4 Ų76.46%0.06140%0.397CS..  trans-113.483.3177-168.10000110.1Y114 N121 A124 R125Y114-V119 HydrophobicContact CD1-CG2 4.36Å; Y114-V119 HydrophobicContact CE1-CG2 3.83Å; Y114-V119 PolarHBondContact O-N 3.3Å; V119-N121 PolarHBondContact O-N 3.31Å; V119-A124 HydrophobicContact CG1-CB 4.09Å; V119-R125 HydrophobicContact CB-CB 4.37Å; V119-R125 HydrophobicContact CG1-CB 3.89Å; V119-R125 PolarHBondContact O-NE 3.4Å; V119-R125 PolarHBondContact O-NH2 3.08Å
120P82.5Confident90.1Very high107 Ų10770.5 Ų70.570%0.69537%0.366SS*.  trans-70.9-29.2-175.226-33.7000113.2L118 P122L118-P120 WeakPolarHBondContact O-CD 3.43Å; P120-P122 WeakPolarHBondContact O-CD 3.28Å
121N92.1Very high90.4Very high86 Ų8668.7 Ų68.746%0.4636%0.357SS..  trans-74.4120.4179.3-178.2-49.2000110.5V119 E123 A124 R125V119-N121 PolarHBondContact O-N 3.31Å; N121-E123 PolarHBondContact O-N 2.84Å; N121-E123 WeakPolarHBondContact OD1-CB 3.47Å; N121-E123 PolarHBondContact OD1-N 3.18Å; N121-A124 HydrophobicContact CB-CB 3.96Å; N121-A124 PolarHBondContact O-N 2.96Å; N121-A124 PolarHBondContact OD1-N 3.25Å; N121-A124 VanDerWaalsContact OD1-N 3.1Å; N121-R125 WeakPolarHBondContact O-CB 3.29Å; N121-R125 PolarHBondContact O-N 3.07Å
122P88.5Confident90.7Very high98 Ų9871.6 Ų71.664%0.63636%0.362SS*.Hα-helixtrans-62.8-36.2-177.6-24.335000114.7P120 R125 L126P120-P122 WeakPolarHBondContact O-CD 3.28Å; P122-R125 PolarHBondContact O-N 3.16Å; P122-L126 WeakPolarHBondContact O-CB 3.44Å; P122-L126 PolarHBondContact O-N 3.02Å
123E91.2Very high91.1Very high127 Ų12765.4 Ų65.459%0.59334%0.338SS*.Hα-helixtrans-71.6-44.6179.9-174.8175.3-17400111N121 R125 L126 Q127N121-E123 PolarHBondContact O-N 2.84Å; N121-E123 WeakPolarHBondContact OD1-CB 3.47Å; N121-E123 PolarHBondContact OD1-N 3.18Å; E123-R125 VanDerWaalsContact C-N 3.28Å; E123-R125 PolarHBondContact O-N 3.25Å; E123-L126 PolarHBondContact O-N 3.48Å; E123-Q127 WeakPolarHBondContact O-CG 3.15Å; E123-Q127 PolarHBondContact O-N 3.02Å
124A92.4Very high91.6Very high30 Ų3064.9 Ų64.925%0.24833%0.331CS..Hα-helixtrans-61.3-40.3174.100000111.3V119 N121 Q127 Q128V119-A124 HydrophobicContact CG1-CB 4.09Å; N121-A124 HydrophobicContact CB-CB 3.96Å; N121-A124 PolarHBondContact O-N 2.96Å; N121-A124 PolarHBondContact OD1-N 3.25Å; N121-A124 VanDerWaalsContact OD1-N 3.1Å; A124-Q127 PolarHBondContact O-N 3.21Å; A124-Q128 WeakPolarHBondContact O-CB 3.35Å; A124-Q128 VanDerWaalsContact O-CG 3.31Å; A124-Q128 WeakPolarHBondContact O-CG 3.36Å; A124-Q128 PolarHBondContact O-N 3.25Å
125R93.6Very high91.9Very high34 Ų3464 Ų6413%0.12834%0.337CS..Hα-helixtrans-60.5-46.1175.3-171-173.3-58.2-168.4-3.5111.3L63 F115 W116 V119 N121 P122 E123 L129L63-R125 HydrophobicContact CD1-CG 3.9Å; F115-R125 HydrophobicContact CB-CG 4.26Å; F115-R125 HydrophobicContact CD1-CG 4.2Å; F115-R125 WeakPolarHBondContact O-CD 3.48Å; F115-R125 VanDerWaalsContact O-CZ 3.27Å; F115-R125 PolarHBondContact O-NE 3.12Å; W116-R125 PolarHBondContact O-NH2 2.92Å; V119-R125 HydrophobicContact CB-CB 4.37Å; V119-R125 HydrophobicContact CG1-CB 3.89Å; V119-R125 PolarHBondContact O-NE 3.4Å; V119-R125 PolarHBondContact O-NH2 3.08Å; N121-R125 WeakPolarHBondContact O-CB 3.29Å; N121-R125 PolarHBondContact O-N 3.07Å; P122-R125 PolarHBondContact O-N 3.16Å; E123-R125 VanDerWaalsContact C-N 3.28Å; E123-R125 PolarHBondContact O-N 3.25Å; R125-L129 WeakPolarHBondContact O-CB 3.4Å; R125-L129 PolarHBondContact O-N 3.14Å
126L94.1Very high92.2Very high40 Ų4065.3 Ų65.321%0.20934%0.343CS..Hα-helixtrans-60.9-49.4177.2-176.668.3000111.2Y60 L63 K64 P122 E123 L129 G130Y60-L126 HydrophobicContact CD2-CD1 3.68Å; Y60-L126 HydrophobicContact CD2-CG 4.5Å; Y60-L126 HydrophobicContact CE2-CD1 3.41Å; Y60-L126 VanDerWaalsContact CE2-CD1 3.41Å; Y60-L126 HydrophobicContact CE2-CG 3.85Å; Y60-L126 VanDerWaalsContact CE2-O 3.28Å; Y60-L126 WeakPolarHBondContact CE2-O 3.47Å; Y60-L126 HydrophobicContact CG-CD1 4.4Å; L63-L126 HydrophobicContact CB-CD1 3.94Å; K64-L126 HydrophobicContact CB-CD1 3.98Å; P122-L126 WeakPolarHBondContact O-CB 3.44Å; P122-L126 PolarHBondContact O-N 3.02Å; E123-L126 PolarHBondContact O-N 3.48Å; L126-L129 PolarHBondContact O-N 3.4Å; L126-G130 PolarHBondContact O-N 2.84Å
127Q94.3Very high92.7Very high92 Ų9262.2 Ų62.243%0.4333%0.332SS..Hα-helixtrans-62.4-46.3-179.3-71.5176.8-2.300112.7E123 A124 G130 L131 Y186E123-Q127 WeakPolarHBondContact O-CG 3.15Å; E123-Q127 PolarHBondContact O-N 3.02Å; A124-Q127 PolarHBondContact O-N 3.21Å; Q127-G130 PolarHBondContact O-N 2.91Å; Q127-L131 WeakPolarHBondContact O-CB 3.29Å; Q127-L131 PolarHBondContact O-N 3.15Å; Q127-Y186 PolarHBondContact O-OH 3.47Å
128Q94.4Very high93Very high72 Ų7258.4 Ų58.434%0.33631%0.312SS..Hα-helixtrans-66.2-40.1179-70.5-177.22400111.9Y114 F115 A124 L131 F132Y114-Q128 PolarHBondContact OH-OE1 3.3Å; F115-Q128 HydrophobicContact CE1-CB 3.76Å; A124-Q128 WeakPolarHBondContact O-CB 3.35Å; A124-Q128 VanDerWaalsContact O-CG 3.31Å; A124-Q128 WeakPolarHBondContact O-CG 3.36Å; A124-Q128 PolarHBondContact O-N 3.25Å; Q128-L131 PolarHBondContact O-N 3.44Å; Q128-F132 WeakPolarHBondContact O-CB 3.37Å; Q128-F132 PolarHBondContact O-N 3.31Å
129L94.3Very high93.3Very high5 Ų554.8 Ų54.83%0.02630%0.297CS..Hα-helixtrans-66.9-42176.5-175.463.1000111.1Y60 L63 F115 R125 L126 L131 F132 C133Y60-L129 HydrophobicContact CD2-CB 4.44Å; Y60-L129 HydrophobicContact CD2-CG 4.42Å; L63-L129 HydrophobicContact CD1-CD2 3.85Å; F115-L129 HydrophobicContact CD1-CB 4.32Å; F115-L129 HydrophobicContact CD2-CD1 4.02Å; F115-L129 HydrophobicContact CE1-CB 3.91Å; F115-L129 HydrophobicContact CE1-CD1 4.36Å; F115-L129 HydrophobicContact CE2-CD1 3.64Å; F115-L129 HydrophobicContact CZ-CB 4.12Å; F115-L129 HydrophobicContact CZ-CD1 3.83Å; R125-L129 WeakPolarHBondContact O-CB 3.4Å; R125-L129 PolarHBondContact O-N 3.14Å; L126-L129 PolarHBondContact O-N 3.4Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L129-L131 PolarHBondContact O-N 2.97Å; L129-F132 HydrophobicContact CD1-CD1 4.42Å; L129-F132 PolarHBondContact O-N 2.84Å; L129-C133 WeakPolarHBondContact O-CB 3.47Å; L129-C133 PolarHBondContact O-N 3.45Å; L129-C133 PolarHBondContact O-SG 3.43Å
130G95.6Very high93.5Very high0 Ų057 Ų570%031%0.308CS..Hα-helixtrans-59.3-43.9174.300000112.2Y60 L126 Q127 S134 Y186Y60-G130 VanDerWaalsContact CD2-CA 3.49Å; L126-G130 PolarHBondContact O-N 2.84Å; Q127-G130 PolarHBondContact O-N 2.91Å; G130-S134 WeakPolarHBondContact O-CB 3.48Å; G130-S134 PolarHBondContact O-N 3.42Å; G130-Y186 VanDerWaalsContact C-CD1 3.47Å
131L95.5Very high93.8Very high96 Ų9653.6 Ų53.650%0.50328%0.281SS..Hα-helixtrans-61.7-47.7174.8-179.363.7000111.6Q127 Q128 L129 S134 V135 Y186Q127-L131 WeakPolarHBondContact O-CB 3.29Å; Q127-L131 PolarHBondContact O-N 3.15Å; Q128-L131 PolarHBondContact O-N 3.44Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L129-L131 PolarHBondContact O-N 2.97Å; L131-S134 PolarHBondContact O-N 3.37Å; L131-V135 HydrophobicContact CD1-CG2 4.12Å; L131-V135 HydrophobicContact CG-CG2 4.47Å; L131-V135 WeakPolarHBondContact O-CG2 3.17Å; L131-V135 PolarHBondContact O-N 3.3Å; L131-Y186 HydrophobicContact CB-CD1 4.34Å; L131-Y186 HydrophobicContact CB-CE1 3.9Å; L131-Y186 HydrophobicContact CD1-CE1 4.45Å
132F94.5Very high93.8Very high88 Ų8855 Ų5539%0.38629%0.288SS..Hα-helixtrans-57.3-52.6177.4171.1-96.3000111.4F115 Q128 L129 S134 V135 F136F115-F132 HydrophobicContact CZ-CB 4.27Å; Q128-F132 WeakPolarHBondContact O-CB 3.37Å; Q128-F132 PolarHBondContact O-N 3.31Å; L129-F132 HydrophobicContact CD1-CD1 4.42Å; L129-F132 PolarHBondContact O-N 2.84Å; F132-S134 VanDerWaalsContact C-N 3.28Å; F132-S134 PolarHBondContact O-N 3.18Å; F132-V135 PolarHBondContact O-N 3.45Å; F132-F136 VanDerWaalsContact O-CB 3.26Å; F132-F136 WeakPolarHBondContact O-CB 3.38Å; F132-F136 PolarHBondContact O-N 3.49Å
133C95.7Very high93.7Very high2 Ų253.6 Ų53.61%0.01428%0.281CS..Hα-helixtrans-58.7-43.1178.6-670000111.1G56 W57 L129 F136 T137G56-C133 PolarHBondContact O-SG 2.62Å; G56-C133 VanDerWaalsContact O-SG 3.39Å; W57-C133 HydrophobicContact CD2-CB 3.88Å; W57-C133 HydrophobicContact CE3-CB 4.3Å; W57-C133 HydrophobicContact CG-CB 4.32Å; W57-C133 HydrophobicContact CH2-CB 4.23Å; W57-C133 HydrophobicContact CZ2-CB 3.82Å; W57-C133 HydrophobicContact CZ3-CB 4.45Å; L129-C133 WeakPolarHBondContact O-CB 3.47Å; L129-C133 PolarHBondContact O-N 3.45Å; L129-C133 PolarHBondContact O-SG 3.43Å; C133-F136 PolarHBondContact O-N 2.88Å; C133-T137 WeakPolarHBondContact O-CB 3.29Å; C133-T137 PolarHBondContact O-N 3.45Å; C133-T137 PolarHBondContact O-OG1 3.18Å
134S96.6Very high93.4Very high7 Ų748.4 Ų48.45%0.04926%0.258CS..Hα-helixtrans-62.8-50.9179.8-168.90000112.3G130 L131 F132 F136 T137 I138 Y186 S190G130-S134 WeakPolarHBondContact O-CB 3.48Å; G130-S134 PolarHBondContact O-N 3.42Å; L131-S134 PolarHBondContact O-N 3.37Å; F132-S134 VanDerWaalsContact C-N 3.28Å; F132-S134 PolarHBondContact O-N 3.18Å; S134-F136 VanDerWaalsContact C-N 3.3Å; S134-F136 PolarHBondContact O-N 3.45Å; S134-T137 PolarHBondContact O-N 3.36Å; S134-I138 WeakPolarHBondContact O-CD1 3.27Å; S134-I138 WeakPolarHBondContact O-CG1 3.38Å; S134-I138 PolarHBondContact O-N 2.84Å; S134-Y186 PolarHBondContact OG-O 3.39Å; S134-Y186 VanDerWaalsContact OG-O 3.09Å; S134-S190 WeakPolarHBondContact OG-CB 3.28Å
135V96.3Very high93.3Very high86 Ų8651 Ų5152%0.52127%0.267SS..Hα-helixtrans-60.2-42.5176.8170.70000111L131 F132 I138 S139L131-V135 HydrophobicContact CD1-CG2 4.12Å; L131-V135 HydrophobicContact CG-CG2 4.47Å; L131-V135 WeakPolarHBondContact O-CG2 3.17Å; L131-V135 PolarHBondContact O-N 3.3Å; F132-V135 PolarHBondContact O-N 3.45Å; V135-I138 PolarHBondContact O-N 2.94Å; V135-S139 PolarHBondContact O-N 3.28Å
136F94.8Very high93.1Very high45 Ų4552.2 Ų52.220%0.19729%0.285CS..Hα-helixtrans-63-49.5179.1-169.8-94.8000111.5T49 V52 N53 F132 C133 S134 I138 S139 M140T49-F136 VanDerWaalsContact O-CE1 3.26Å; T49-F136 WeakPolarHBondContact O-CE1 3.29Å; V52-F136 HydrophobicContact CB-CE1 4.07Å; V52-F136 HydrophobicContact CB-CZ 3.91Å; V52-F136 HydrophobicContact CG1-CD1 4.45Å; V52-F136 HydrophobicContact CG1-CE1 3.96Å; V52-F136 HydrophobicContact CG1-CE2 4.12Å; V52-F136 HydrophobicContact CG1-CZ 3.76Å; N53-F136 HydrophobicContact CB-CD1 3.97Å; N53-F136 HydrophobicContact CB-CE1 3.88Å; F132-F136 VanDerWaalsContact O-CB 3.26Å; F132-F136 WeakPolarHBondContact O-CB 3.38Å; F132-F136 PolarHBondContact O-N 3.49Å; C133-F136 PolarHBondContact O-N 2.88Å; S134-F136 VanDerWaalsContact C-N 3.3Å; S134-F136 PolarHBondContact O-N 3.45Å; F136-I138 VanDerWaalsContact C-N 3.3Å; F136-I138 PolarHBondContact O-N 2.58Å; F136-S139 PolarHBondContact O-N 3.4Å; F136-S139 VanDerWaalsContact O-N 3.13Å; F136-S139 PolarHBondContact O-OG 3.37Å; F136-M140 HydrophobicContact CD1-SD 4.15Å; F136-M140 HydrophobicContact CE1-CG 4.26Å; F136-M140 HydrophobicContact CE1-SD 3.83Å; F136-M140 PolarHBondContact O-N 2.97Å; F136-M140 VanDerWaalsContact O-N 3.14Å
137T95.6Very high92.8Very high12 Ų1252.9 Ų52.97%0.07429%0.289CS..Hα-helixtrans-57.1-43174.5-57.60000111.7N53 W57 C133 S134 S139 M140 Y141N53-T137 PolarHBondContact OD1-OG1 3.39Å; W57-T137 PolarHBondContact NE1-OG1 3.48Å; C133-T137 WeakPolarHBondContact O-CB 3.29Å; C133-T137 PolarHBondContact O-N 3.45Å; C133-T137 PolarHBondContact O-OG1 3.18Å; S134-T137 PolarHBondContact O-N 3.36Å; T137-S139 VanDerWaalsContact C-N 3.32Å; T137-S139 PolarHBondContact O-N 3.37Å; T137-M140 WeakPolarHBondContact O-CB 3.26Å; T137-M140 PolarHBondContact O-N 3.45Å; T137-Y141 HydrophobicContact CG2-CE2 4.22Å; T137-Y141 WeakPolarHBondContact O-CD2 3.2Å
138I94.7Very high92.6Very high63 Ų6349 Ų4932%0.32327%0.271SS..Hα-helixtrans-61.2-43.2177.6-67.6165.1000110.8S134 V135 F136 M140 Y141 V189 P193S134-I138 WeakPolarHBondContact O-CD1 3.27Å; S134-I138 WeakPolarHBondContact O-CG1 3.38Å; S134-I138 PolarHBondContact O-N 2.84Å; V135-I138 PolarHBondContact O-N 2.94Å; F136-I138 VanDerWaalsContact C-N 3.3Å; F136-I138 PolarHBondContact O-N 2.58Å; I138-M140 PolarHBondContact O-N 2.93Å; I138-Y141 WeakPolarHBondContact O-CB 3.3Å; I138-Y141 PolarHBondContact O-N 2.88Å; I138-V189 HydrophobicContact CD1-CG1 4.21Å; I138-P193 HydrophobicContact CG1-CG 4.22Å; I138-P193 HydrophobicContact CG2-CG 4.47Å
139S94.4Very high92.4Very high51 Ų5147.7 Ų47.736%0.35727%0.272SS..Hα-helixtrans-63.6-29.4178.977.60000113.1V135 F136 T137 Y141 L142V135-S139 PolarHBondContact O-N 3.28Å; F136-S139 PolarHBondContact O-N 3.4Å; F136-S139 VanDerWaalsContact O-N 3.13Å; F136-S139 PolarHBondContact O-OG 3.37Å; T137-S139 VanDerWaalsContact C-N 3.32Å; T137-S139 PolarHBondContact O-N 3.37Å; S139-Y141 PolarHBondContact O-N 3.48Å; S139-L142 VanDerWaalsContact O-CB 3.24Å; S139-L142 WeakPolarHBondContact O-CB 3.35Å; S139-L142 WeakPolarHBondContact O-CG 3.4Å; S139-L142 PolarHBondContact O-N 2.88Å
140M92.4Very high92.2Very high56 Ų5652.3 Ų52.328%0.27629%0.292SS..Hα-helixtrans-64.2-21.5174.6-68.2178.864.700112.5T50 N53 F136 T137 I138 L142 P144T50-M140 WeakPolarHBondContact OG1-CE 3.49Å; N53-M140 HydrophobicContact CB-SD 3.74Å; F136-M140 HydrophobicContact CD1-SD 4.15Å; F136-M140 HydrophobicContact CE1-CG 4.26Å; F136-M140 HydrophobicContact CE1-SD 3.83Å; F136-M140 PolarHBondContact O-N 2.97Å; F136-M140 VanDerWaalsContact O-N 3.14Å; T137-M140 WeakPolarHBondContact O-CB 3.26Å; T137-M140 PolarHBondContact O-N 3.45Å; I138-M140 PolarHBondContact O-N 2.93Å; M140-L142 PolarHBondContact O-N 2.83Å; M140-P144 VanDerWaalsContact O-CD 3.28Å; M140-P144 WeakPolarHBondContact O-CD 3.43Å
141Y89.5Confident91.9Very high35 Ų3552.4 Ų52.414%0.13729%0.292CS..THydrogen-bonded Turntrans-75.3-5.2173.2-68.6-75.4000114T137 I138 S139 S143 P144 L145 S172 P193 G194T137-Y141 HydrophobicContact CG2-CE2 4.22Å; T137-Y141 WeakPolarHBondContact O-CD2 3.2Å; I138-Y141 WeakPolarHBondContact O-CB 3.3Å; I138-Y141 PolarHBondContact O-N 2.88Å; S139-Y141 PolarHBondContact O-N 3.48Å; Y141-S143 VanDerWaalsContact C-N 3.34Å; Y141-S143 PolarHBondContact O-N 3.47Å; Y141-P144 VanDerWaalsContact C-CD 3.43Å; Y141-P144 HydrophobicContact CD1-CG 4.03Å; Y141-P144 VanDerWaalsContact O-CD 3.22Å; Y141-P144 WeakPolarHBondContact O-CD 3.31Å; Y141-P144 WeakPolarHBondContact O-CG 3.16Å; Y141-L145 WeakPolarHBondContact O-CB 3.49Å; Y141-L145 WeakPolarHBondContact O-CD1 3.27Å; Y141-L145 PolarHBondContact O-N 3.26Å; Y141-S172 PolarHBondContact OH-OG 2.82Å; Y141-P193 HydrophobicContact CD2-CB 3.71Å; Y141-P193 HydrophobicContact CD2-CG 4.34Å; Y141-P193 HydrophobicContact CE2-CB 4.04Å; Y141-P193 HydrophobicContact CG-CB 3.99Å; Y141-G194 VanDerWaalsContact CZ-CA 3.4Å; Y141-G194 WeakPolarHBondContact OH-CA 3.5Å
142L90.6Very high91.6Very high115 Ų11551.3 Ų51.360%0.60229%0.286SS*.Hα-helixtrans-63.6-39.7173.9-67.4173.7000112.2S139 M140 L145 A146S139-L142 VanDerWaalsContact O-CB 3.24Å; S139-L142 WeakPolarHBondContact O-CB 3.35Å; S139-L142 WeakPolarHBondContact O-CG 3.4Å; S139-L142 PolarHBondContact O-N 2.88Å; M140-L142 PolarHBondContact O-N 2.83Å; L142-L145 WeakPolarHBondContact O-CB 3.38Å; L142-L145 PolarHBondContact O-N 3.43Å; L142-A146 PolarHBondContact O-N 3.33Å
143S87.9Confident91.4Very high69 Ų6954.6 Ų54.648%0.48330%0.303SS..Hα-helixtrans-58.7-54.4176.2-173.90000111.9Y141 L145 A146 D147Y141-S143 VanDerWaalsContact C-N 3.34Å; Y141-S143 PolarHBondContact O-N 3.47Å; S143-L145 VanDerWaalsContact C-N 3.3Å; S143-L145 PolarHBondContact O-N 3.42Å; S143-A146 WeakPolarHBondContact O-CB 3.45Å; S143-A146 PolarHBondContact O-N 3.47Å; S143-A146 VanDerWaalsContact O-N 3.1Å; S143-D147 PolarHBondContact O-N 2.87Å; S143-D147 VanDerWaalsContact O-N 3.13Å
144P85.3Confident91.1Very high18 Ų1858.2 Ų58.212%0.11733%0.325CS..Hα-helixtrans-65.7-30.6177.822.8-32.3000113.6M140 Y141 A146 D147 L148M140-P144 VanDerWaalsContact O-CD 3.28Å; M140-P144 WeakPolarHBondContact O-CD 3.43Å; Y141-P144 VanDerWaalsContact C-CD 3.43Å; Y141-P144 HydrophobicContact CD1-CG 4.03Å; Y141-P144 VanDerWaalsContact O-CD 3.22Å; Y141-P144 WeakPolarHBondContact O-CD 3.31Å; Y141-P144 WeakPolarHBondContact O-CG 3.16Å; P144-A146 VanDerWaalsContact C-N 3.3Å; P144-A146 PolarHBondContact O-N 2.86Å; P144-D147 WeakPolarHBondContact O-CB 3.43Å; P144-D147 PolarHBondContact O-N 3.36Å; P144-L148 WeakPolarHBondContact O-CG 3.45Å; P144-L148 PolarHBondContact O-N 3.2Å
145L88.8Confident90.7Very high84 Ų8462.9 Ų62.944%0.4434%0.344SS..Hα-helixtrans-60-41.2171.3-104.364.4000112Y141 L142 S143 D147 L148 A149 T197Y141-L145 WeakPolarHBondContact O-CB 3.49Å; Y141-L145 WeakPolarHBondContact O-CD1 3.27Å; Y141-L145 PolarHBondContact O-N 3.26Å; L142-L145 WeakPolarHBondContact O-CB 3.38Å; L142-L145 PolarHBondContact O-N 3.43Å; S143-L145 VanDerWaalsContact C-N 3.3Å; S143-L145 PolarHBondContact O-N 3.42Å; L145-D147 VanDerWaalsContact C-N 3.3Å; L145-D147 PolarHBondContact O-N 2.9Å; L145-L148 WeakPolarHBondContact O-CB 3.48Å; L145-L148 PolarHBondContact O-N 2.94Å; L145-A149 PolarHBondContact O-N 3.41Å; L145-T197 HydrophobicContact CD1-CG2 3.25Å
146A89.9Confident90.1Very high60 Ų6059.9 Ų59.950%0.49633%0.327SS..Hα-helixtrans-62.4-39175.100000111.6L142 S143 P144 L148 A149 K150L142-A146 PolarHBondContact O-N 3.33Å; S143-A146 WeakPolarHBondContact O-CB 3.45Å; S143-A146 PolarHBondContact O-N 3.47Å; S143-A146 VanDerWaalsContact O-N 3.1Å; P144-A146 VanDerWaalsContact C-N 3.3Å; P144-A146 PolarHBondContact O-N 2.86Å; A146-L148 PolarHBondContact O-N 3.48Å; A146-A149 PolarHBondContact O-N 2.94Å; A146-K150 PolarHBondContact O-N 2.93Å
147D87.5Confident89.8Confident55 Ų5557.8 Ų57.829%0.29432%0.318SS..Hα-helixtrans-63.1-40.6174.1-65-36.8000112S143 P144 L145 A149 K150 V151 L160S143-D147 PolarHBondContact O-N 2.87Å; S143-D147 VanDerWaalsContact O-N 3.13Å; P144-D147 WeakPolarHBondContact O-CB 3.43Å; P144-D147 PolarHBondContact O-N 3.36Å; L145-D147 VanDerWaalsContact C-N 3.3Å; L145-D147 PolarHBondContact O-N 2.9Å; D147-A149 VanDerWaalsContact C-N 3.35Å; D147-A149 PolarHBondContact O-N 3.41Å; D147-K150 WeakPolarHBondContact O-CB 3.28Å; D147-K150 PolarHBondContact O-N 3.15Å; D147-V151 VanDerWaalsContact O-CG2 3.29Å; D147-V151 WeakPolarHBondContact O-CG2 3.41Å; D147-V151 PolarHBondContact O-N 3.41Å; D147-L160 HydrophobicContact CB-CD2 4.22Å
148L90.8Very high89.2Confident10 Ų1063.1 Ų63.15%0.05234%0.342CS..Hα-helixtrans-61.4-44.2175-58.9175.9000111.5P144 L145 A146 K150 V151 I152 L160 T197 I200 R201 L204P144-L148 WeakPolarHBondContact O-CG 3.45Å; P144-L148 PolarHBondContact O-N 3.2Å; L145-L148 WeakPolarHBondContact O-CB 3.48Å; L145-L148 PolarHBondContact O-N 2.94Å; A146-L148 PolarHBondContact O-N 3.48Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 3.02Å; L148-V151 PolarHBondContact O-N 2.96Å; L148-I152 WeakPolarHBondContact O-CG1 3.19Å; L148-I152 PolarHBondContact O-N 3.1Å; L148-L160 HydrophobicContact CD2-CD1 4.43Å; L148-T197 HydrophobicContact CD1-CG2 4.44Å; L148-I200 HydrophobicContact CD1-CB 4.15Å; L148-I200 HydrophobicContact CD1-CD1 4.43Å; L148-I200 HydrophobicContact CD1-CG2 3.88Å; L148-I200 HydrophobicContact CD2-CG2 4.3Å; L148-R201 HydrophobicContact CD2-CB 4.47Å; L148-R201 HydrophobicContact CD2-CG 3.41Å; L148-R201 VanDerWaalsContact CD2-CG 3.41Å; L148-L204 HydrophobicContact CB-CD1 4.22Å; L148-L204 HydrophobicContact CD2-CD1 3.52Å; L148-L204 HydrophobicContact CG-CD1 4.43Å
149A90.7Very high88.4Confident45 Ų4563.2 Ų63.237%0.37235%0.348SS..Hα-helixtrans-60.3-43.2176.100000111L145 A146 D147 I152 Q153L145-A149 PolarHBondContact O-N 3.41Å; A146-A149 PolarHBondContact O-N 2.94Å; D147-A149 VanDerWaalsContact C-N 3.35Å; D147-A149 PolarHBondContact O-N 3.41Å; A149-I152 PolarHBondContact O-N 3.39Å; A149-Q153 WeakPolarHBondContact O-CG 3.41Å; A149-Q153 PolarHBondContact O-N 2.97Å; A149-Q153 VanDerWaalsContact O-N 3.08Å
150K88.4Confident88Confident102 Ų10261.5 Ų61.544%0.44334%0.335SS..Hα-helixtrans-60.1-47175.8-173.5177.3179.4-176.70111.7A146 D147 L148 I152 Q153 T154A146-K150 PolarHBondContact O-N 2.93Å; D147-K150 WeakPolarHBondContact O-CB 3.28Å; D147-K150 PolarHBondContact O-N 3.15Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 3.02Å; K150-I152 VanDerWaalsContact C-N 3.3Å; K150-I152 PolarHBondContact O-N 2.94Å; K150-Q153 WeakPolarHBondContact O-CB 3.15Å; K150-Q153 PolarHBondContact O-N 3.41Å; K150-Q153 VanDerWaalsContact O-N 3.13Å; K150-T154 HydrophobicContact CG-CG2 4.12Å; K150-T154 WeakPolarHBondContact O-CG2 3.47Å; K150-T154 PolarHBondContact O-N 2.98Å; K150-T154 PolarHBondContact O-OG1 3.49Å
151V90.1Very high87.7Confident1 Ų161.5 Ų61.51%0.00634%0.34CS..Hα-helixtrans-59.4-40.1177.5170.30000111.8D147 L148 Q153 K155 S156 T157 L160 L204 Y208D147-V151 VanDerWaalsContact O-CG2 3.29Å; D147-V151 WeakPolarHBondContact O-CG2 3.41Å; D147-V151 PolarHBondContact O-N 3.41Å; L148-V151 PolarHBondContact O-N 2.96Å; V151-Q153 VanDerWaalsContact C-N 3.31Å; V151-Q153 PolarHBondContact O-N 2.97Å; V151-K155 VanDerWaalsContact O-CA 3.25Å; V151-K155 WeakPolarHBondContact O-CA 3.4Å; V151-K155 PolarHBondContact O-N 2.9Å; V151-S156 WeakPolarHBondContact CG1-O 3.21Å; V151-S156 WeakPolarHBondContact CG2-O 3.46Å; V151-T157 HydrophobicContact CG1-CG2 3.81Å; V151-L160 HydrophobicContact CG2-CD1 3.81Å; V151-L160 HydrophobicContact CG2-CG 3.86Å; V151-L204 HydrophobicContact CB-CD1 4.27Å; V151-L204 HydrophobicContact CG1-CB 4.19Å; V151-L204 HydrophobicContact CG1-CD1 3.97Å; V151-L204 HydrophobicContact CG1-CD2 4.2Å; V151-L204 HydrophobicContact CG1-CG 4.36Å; V151-Y208 HydrophobicContact CG1-CD2 3.88Å; V151-Y208 HydrophobicContact CG1-CE2 4.48Å
152I90.2Very high87.6Confident73 Ų7365.4 Ų65.437%0.37436%0.356SS..Hα-helixtrans-66.8-36178.4-67.7166000111.4L148 A149 K150 K155 L204 Y208L148-I152 WeakPolarHBondContact O-CG1 3.19Å; L148-I152 PolarHBondContact O-N 3.1Å; A149-I152 PolarHBondContact O-N 3.39Å; K150-I152 VanDerWaalsContact C-N 3.3Å; K150-I152 PolarHBondContact O-N 2.94Å; I152-K155 WeakPolarHBondContact O-CD 3.35Å; I152-K155 VanDerWaalsContact O-CE 3.29Å; I152-K155 WeakPolarHBondContact O-CE 3.37Å; I152-K155 PolarHBondContact O-NZ 3.22Å; I152-L204 HydrophobicContact CD1-CD2 4.41Å; I152-L204 HydrophobicContact CG1-CD2 3.75Å; I152-Y208 HydrophobicContact CG1-CE2 4.45Å
153Q89.6Confident87.5Confident157 Ų15764.3 Ų64.373%0.73436%0.356SS*.Hα-helixtrans-73-48.3177.2-70172.59.400111.8A149 K150 V151A149-Q153 WeakPolarHBondContact O-CG 3.41Å; A149-Q153 PolarHBondContact O-N 2.97Å; A149-Q153 VanDerWaalsContact O-N 3.08Å; K150-Q153 WeakPolarHBondContact O-CB 3.15Å; K150-Q153 PolarHBondContact O-N 3.41Å; K150-Q153 VanDerWaalsContact O-N 3.13Å; V151-Q153 VanDerWaalsContact C-N 3.31Å; V151-Q153 PolarHBondContact O-N 2.97Å
154T89.4Confident87.5Confident78 Ų7864.6 Ų64.648%0.47935%0.351SS..Hα-helixtrans-82.9-12.2-176.562.30000113.6K150 S156K150-T154 HydrophobicContact CG-CG2 4.12Å; K150-T154 WeakPolarHBondContact O-CG2 3.47Å; K150-T154 PolarHBondContact O-N 2.98Å; K150-T154 PolarHBondContact O-OG1 3.49Å; T154-S156 PolarHBondContact O-N 3.49Å
155K88.1Confident87.8Confident105 Ų10563.9 Ų63.946%0.45735%0.346SS..  trans57.525.4-176.3-52.1-66.7-179.7-154.60113.5V151 I152 Y208V151-K155 VanDerWaalsContact O-CA 3.25Å; V151-K155 WeakPolarHBondContact O-CA 3.4Å; V151-K155 PolarHBondContact O-N 2.9Å; I152-K155 WeakPolarHBondContact O-CD 3.35Å; I152-K155 VanDerWaalsContact O-CE 3.29Å; I152-K155 WeakPolarHBondContact O-CE 3.37Å; I152-K155 PolarHBondContact O-NZ 3.22Å; K155-Y208 HydrophobicContact CB-CD1 4.04Å; K155-Y208 HydrophobicContact CB-CE1 4.19Å; K155-Y208 HydrophobicContact CD-CD1 3.98Å; K155-Y208 HydrophobicContact CD-CE1 3.25Å; K155-Y208 HydrophobicContact CG-CE1 4.33Å; K155-Y208 PolarHBondContact NZ-OH 3.38Å
156S84.4Confident88Confident23 Ų2362.8 Ų62.816%0.16134%0.341CS..  trans-135.6136.6-178.2172.10000111.2V151 T154 Q158V151-S156 WeakPolarHBondContact CG1-O 3.21Å; V151-S156 WeakPolarHBondContact CG2-O 3.46Å; T154-S156 PolarHBondContact O-N 3.49Å; S156-Q158 VanDerWaalsContact C-N 3.33Å; S156-Q158 PolarHBondContact OG-N 3.43Å
157T86.6Confident88.1Confident1 Ų161 Ų611%0.00633%0.326CS..  trans-92.414.1179.352.40000113.6V151 C159 L160 L204 F205 P209 Q210V151-T157 HydrophobicContact CG1-CG2 3.81Å; T157-C159 PolarHBondContact O-N 3.48Å; T157-C159 VanDerWaalsContact O-N 3.14Å; T157-L160 HydrophobicContact CG2-CD1 4.43Å; T157-L160 PolarHBondContact O-N 3.26Å; T157-L204 HydrophobicContact CG2-CB 4.37Å; T157-F205 HydrophobicContact CG2-CD1 3.97Å; T157-F205 HydrophobicContact CG2-CE1 4.39Å; T157-P209 PolarHBondContact N-O 3.4Å; T157-P209 PolarHBondContact OG1-O 3.3Å; T157-Q210 WeakPolarHBondContact OG1-CA 3.37Å
158Q83.3Confident88.3Confident124 Ų12459.1 Ų59.158%0.57932%0.316SS*.THydrogen-bonded Turntrans-56.6-32.7-176.4-169.2-176.916.600114.1S156 L160S156-Q158 VanDerWaalsContact C-N 3.33Å; S156-Q158 PolarHBondContact OG-N 3.43Å; Q158-L160 VanDerWaalsContact C-N 3.27Å; Q158-L160 PolarHBondContact O-N 3.42Å
159C79.4Confident88.6Confident66 Ų6659.7 Ų59.745%0.44632%0.32SS..THydrogen-bonded Turntrans-78.9-7.7177.6-59.30000113.5T157T157-C159 PolarHBondContact O-N 3.48Å; T157-C159 VanDerWaalsContact O-N 3.14Å
160L85.4Confident88.8Confident14 Ų1460.8 Ų60.87%0.07332%0.319CS..  trans-103.4138.1-178.4-62.3-179.6000111.4D147 L148 V151 T157 Q158 R201 L204 F205D147-L160 HydrophobicContact CB-CD2 4.22Å; L148-L160 HydrophobicContact CD2-CD1 4.43Å; V151-L160 HydrophobicContact CG2-CD1 3.81Å; V151-L160 HydrophobicContact CG2-CG 3.86Å; T157-L160 HydrophobicContact CG2-CD1 4.43Å; T157-L160 PolarHBondContact O-N 3.26Å; Q158-L160 VanDerWaalsContact C-N 3.27Å; Q158-L160 PolarHBondContact O-N 3.42Å; L160-R201 HydrophobicContact CD1-CB 4.48Å; L160-R201 HydrophobicContact CD1-CG 4.1Å; L160-R201 HydrophobicContact CD2-CG 4.39Å; L160-L204 HydrophobicContact CD1-CD1 4.47Å; L160-F205 HydrophobicContact CB-CE1 3.8Å; L160-F205 HydrophobicContact CB-CE2 4.36Å; L160-F205 HydrophobicContact CB-CZ 3.46Å; L160-F205 VanDerWaalsContact CB-CZ 3.46Å; L160-F205 HydrophobicContact CD1-CZ 4.34Å
161S86.3Confident89.1Confident57 Ų5756.1 Ų56.140%0.39930%0.3SS..  trans-100.5120.2172.6171.20000110.4P163 L164 T165S161-P163 WeakPolarHBondContact OG-CD 3.24Å; S161-L164 PolarHBondContact O-N 2.81Å; S161-L164 PolarHBondContact OG-N 2.98Å; S161-T165 PolarHBondContact O-N 3.49Å; S161-T165 PolarHBondContact O-OG1 2.88Å
162Y87.3Confident89.4Confident116 Ų11656.2 Ų56.246%0.45530%0.3SS..Hα-helixtrans-63.6-46.8177.6-173.6-94.6000112.3L164 T165 I166 F202 F205Y162-L164 VanDerWaalsContact C-N 3.32Å; Y162-L164 PolarHBondContact O-N 3.43Å; Y162-T165 WeakPolarHBondContact O-CB 3.05Å; Y162-T165 PolarHBondContact O-N 3.24Å; Y162-T165 VanDerWaalsContact O-N 3.13Å; Y162-I166 HydrophobicContact CD1-CD1 3.83Å; Y162-I166 HydrophobicContact CE1-CD1 3.36Å; Y162-I166 HydrophobicContact CE1-CG1 4.23Å; Y162-I166 PolarHBondContact O-N 3.18Å; Y162-I166 VanDerWaalsContact O-N 3.12Å; Y162-F202 HydrophobicContact CD2-CE1 4.48Å; Y162-F202 AromaticContact CE2-CD1 3.89Å; Y162-F202 HydrophobicContact CE2-CD1 3.89Å; Y162-F202 AromaticContact CE2-CE1 3.92Å; Y162-F202 HydrophobicContact CE2-CE1 3.92Å; Y162-F205 HydrophobicContact CD2-CD1 4.47Å; Y162-F205 AromaticContact CD2-CD2 3.65Å; Y162-F205 HydrophobicContact CD2-CD2 3.65Å; Y162-F205 AromaticContact CD2-CE2 3.86Å; Y162-F205 HydrophobicContact CD2-CE2 3.86Å; Y162-F205 AromaticContact CD2-CG 3.99Å; Y162-F205 HydrophobicContact CD2-CG 3.99Å; Y162-F205 HydrophobicContact CD2-CZ 4.35Å; Y162-F205 HydrophobicContact CE2-CD2 4.31Å
163P88.4Confident89.7Confident93 Ų9354.8 Ų54.860%0.60430%0.299SS*.Hα-helixtrans-58.8-40.5174.6-24.934.5000113.5S161 T165 I166 A167S161-P163 WeakPolarHBondContact OG-CD 3.24Å; P163-T165 VanDerWaalsContact C-N 3.29Å; P163-T165 PolarHBondContact O-N 2.97Å; P163-I166 PolarHBondContact O-N 3.41Å; P163-A167 PolarHBondContact O-N 2.88Å
164L87.7Confident89.9Confident74 Ų7448 Ų4839%0.38727%0.269SS..Hα-helixtrans-66.5-33.9178.2-174.662.2000111.9A25 S161 Y162 A167 T168A25-L164 HydrophobicContact CB-CD1 4.12Å; S161-L164 PolarHBondContact O-N 2.81Å; S161-L164 PolarHBondContact OG-N 2.98Å; Y162-L164 VanDerWaalsContact C-N 3.32Å; Y162-L164 PolarHBondContact O-N 3.43Å; L164-A167 PolarHBondContact O-N 2.9Å; L164-T168 WeakPolarHBondContact O-CB 3.5Å; L164-T168 PolarHBondContact O-N 2.8Å; L164-T168 PolarHBondContact O-OG1 3.41Å
165T91.8Very high90.3Very high3 Ų345.1 Ų45.12%0.01825%0.249CC..Hα-helixtrans-65.4-42.7175.6-580000111.2S161 Y162 P163 T168 V169 R201 F202 F205S161-T165 PolarHBondContact O-N 3.49Å; S161-T165 PolarHBondContact O-OG1 2.88Å; Y162-T165 WeakPolarHBondContact O-CB 3.05Å; Y162-T165 PolarHBondContact O-N 3.24Å; Y162-T165 VanDerWaalsContact O-N 3.13Å; P163-T165 VanDerWaalsContact C-N 3.29Å; P163-T165 PolarHBondContact O-N 2.97Å; T165-T168 PolarHBondContact O-N 2.87Å; T165-V169 PolarHBondContact O-N 3.44Å; T165-R201 HydrophobicContact CG2-CB 3.58Å; T165-R201 HydrophobicContact CG2-CG 4.35Å; T165-R201 VanDerWaalsContact OG1-CD 3.27Å; T165-R201 WeakPolarHBondContact OG1-CD 3.45Å; T165-F202 HydrophobicContact CG2-CD1 4.01Å; T165-F202 HydrophobicContact CG2-CD2 4.4Å; T165-F202 HydrophobicContact CG2-CE1 3.66Å; T165-F202 HydrophobicContact CG2-CE2 4.08Å; T165-F202 HydrophobicContact CG2-CG 4.37Å; T165-F202 HydrophobicContact CG2-CZ 3.7Å; T165-F205 HydrophobicContact CG2-CE2 4.4Å
166I91.9Very high90.7Very high62 Ų6241.2 Ų41.232%0.31824%0.235SC..Hα-helixtrans-62.6-47.5173.6-66.9170.5000110.8Y162 P163 T168 V169 L170 F202Y162-I166 HydrophobicContact CD1-CD1 3.83Å; Y162-I166 HydrophobicContact CE1-CD1 3.36Å; Y162-I166 HydrophobicContact CE1-CG1 4.23Å; Y162-I166 PolarHBondContact O-N 3.18Å; Y162-I166 VanDerWaalsContact O-N 3.12Å; P163-I166 PolarHBondContact O-N 3.41Å; I166-T168 VanDerWaalsContact C-N 3.25Å; I166-T168 PolarHBondContact O-N 3.14Å; I166-V169 VanDerWaalsContact O-CG1 3.31Å; I166-V169 WeakPolarHBondContact O-CG1 3.45Å; I166-V169 PolarHBondContact O-N 2.94Å; I166-L170 HydrophobicContact CG2-CD1 3.72Å; I166-L170 HydrophobicContact CG2-CG 4.29Å; I166-L170 WeakPolarHBondContact O-CB 3.3Å; I166-L170 VanDerWaalsContact O-CG 3.31Å; I166-L170 WeakPolarHBondContact O-CG 3.42Å; I166-L170 PolarHBondContact O-N 3.33Å; I166-F202 HydrophobicContact CG1-CE1 3.93Å; I166-F202 HydrophobicContact CG1-CZ 3.9Å
167A92.2Very high91.2Very high22 Ų2244.3 Ų44.318%0.18225%0.25CC..Hα-helixtrans-58.7-40.4177.800000111.6P163 L164 T171P163-A167 PolarHBondContact O-N 2.88Å; L164-A167 PolarHBondContact O-N 2.9Å; A167-T171 VanDerWaalsContact O-CB 3.23Å; A167-T171 WeakPolarHBondContact O-CB 3.41Å; A167-T171 PolarHBondContact O-N 3.04Å; A167-T171 PolarHBondContact O-OG1 3.42Å
168T92.8Very high91.5Very high15 Ų1544.6 Ų44.69%0.09225%0.25CS..Hα-helixtrans-66.3-48.6179.4-55.80000111.7L164 T165 I166 L170 T171 S172L164-T168 WeakPolarHBondContact O-CB 3.5Å; L164-T168 PolarHBondContact O-N 2.8Å; L164-T168 PolarHBondContact O-OG1 3.41Å; T165-T168 PolarHBondContact O-N 2.87Å; I166-T168 VanDerWaalsContact C-N 3.25Å; I166-T168 PolarHBondContact O-N 3.14Å; T168-L170 VanDerWaalsContact C-N 3.34Å; T168-L170 PolarHBondContact O-N 3.44Å; T168-T171 PolarHBondContact O-N 3.18Å; T168-S172 VanDerWaalsContact O-CB 3.28Å; T168-S172 WeakPolarHBondContact O-CB 3.3Å; T168-S172 PolarHBondContact O-N 2.79Å; T168-S172 PolarHBondContact O-OG 3.44Å
169V95.7Very high92.1Very high22 Ų2238.7 Ų38.713%0.13322%0.223CC..Hα-helixtrans-63.4-40.7-179.774.10000111.7T165 I166 A173 F202T165-V169 PolarHBondContact O-N 3.44Å; I166-V169 VanDerWaalsContact O-CG1 3.31Å; I166-V169 WeakPolarHBondContact O-CG1 3.45Å; I166-V169 PolarHBondContact O-N 2.94Å; V169-A173 WeakPolarHBondContact O-CB 3.35Å; V169-A173 PolarHBondContact O-N 3.38Å; V169-F202 HydrophobicContact CB-CE2 4.28Å; V169-F202 HydrophobicContact CG1-CE2 3.93Å; V169-F202 HydrophobicContact CG1-CZ 4.08Å
170L95.4Very high92.8Very high68 Ų6842.3 Ų42.336%0.35623%0.231SC..Hα-helixtrans-67.5-43.7179.4-69.2175.7000111.6F18 I166 T168 S174F18-L170 HydrophobicContact CB-CB 4.45Å; F18-L170 HydrophobicContact CD1-CB 4.13Å; F18-L170 HydrophobicContact CD1-CD1 4.2Å; F18-L170 HydrophobicContact CD2-CB 3.82Å; F18-L170 HydrophobicContact CE1-CB 4.31Å; F18-L170 HydrophobicContact CE1-CD1 3.87Å; F18-L170 HydrophobicContact CE2-CB 3.99Å; F18-L170 HydrophobicContact CE2-CD2 4.45Å; F18-L170 HydrophobicContact CG-CB 3.89Å; F18-L170 HydrophobicContact CZ-CB 4.24Å; F18-L170 HydrophobicContact CZ-CD1 4.13Å; F18-L170 HydrophobicContact CZ-CD2 4.35Å; F18-L170 HydrophobicContact CZ-CG 4.49Å; I166-L170 HydrophobicContact CG2-CD1 3.72Å; I166-L170 HydrophobicContact CG2-CG 4.29Å; I166-L170 WeakPolarHBondContact O-CB 3.3Å; I166-L170 VanDerWaalsContact O-CG 3.31Å; I166-L170 WeakPolarHBondContact O-CG 3.42Å; I166-L170 PolarHBondContact O-N 3.33Å; T168-L170 VanDerWaalsContact C-N 3.34Å; T168-L170 PolarHBondContact O-N 3.44Å; L170-S174 VanDerWaalsContact O-CB 3.32Å; L170-S174 WeakPolarHBondContact O-CB 3.42Å; L170-S174 PolarHBondContact O-N 3.45Å; L170-S174 PolarHBondContact O-OG 2.92Å
171T94.9Very high93.1Very high5 Ų547.2 Ų47.23%0.03125%0.249CC..Hα-helixtrans-62.7-52.7176.9-58.30000110.3F18 M22 A167 T168 A173 S174 W175F18-T171 WeakPolarHBondContact CB-OG1 3.46Å; F18-T171 PolarHBondContact O-OG1 2.83Å; M22-T171 HydrophobicContact CE-CG2 4.16Å; M22-T171 HydrophobicContact SD-CG2 4.35Å; A167-T171 VanDerWaalsContact O-CB 3.23Å; A167-T171 WeakPolarHBondContact O-CB 3.41Å; A167-T171 PolarHBondContact O-N 3.04Å; A167-T171 PolarHBondContact O-OG1 3.42Å; T168-T171 PolarHBondContact O-N 3.18Å; T171-A173 PolarHBondContact O-N 3.36Å; T171-S174 PolarHBondContact O-N 2.9Å; T171-W175 PolarHBondContact O-N 2.86Å
172S95.7Very high93.4Very high3 Ų347.2 Ų47.22%0.02124%0.244CC..Hα-helixtrans-65-38.9-178.5-67.10000113Y141 T168 C176 N191 G194Y141-S172 PolarHBondContact OH-OG 2.82Å; T168-S172 VanDerWaalsContact O-CB 3.28Å; T168-S172 WeakPolarHBondContact O-CB 3.3Å; T168-S172 PolarHBondContact O-N 2.79Å; T168-S172 PolarHBondContact O-OG 3.44Å; S172-C176 WeakPolarHBondContact O-CB 3.48Å; S172-C176 PolarHBondContact O-N 3.44Å; S172-N191 WeakPolarHBondContact CB-O 3.37Å; S172-G194 WeakPolarHBondContact OG-CA 3.46Å
173A96.4Very high93.7Very high43 Ų4352.8 Ų52.836%0.35526%0.264SS..Hα-helixtrans-63.3-43174.200000111.8V169 T171 C176 L177 I195V169-A173 WeakPolarHBondContact O-CB 3.35Å; V169-A173 PolarHBondContact O-N 3.38Å; T171-A173 PolarHBondContact O-N 3.36Å; A173-C176 PolarHBondContact O-N 3.5Å; A173-L177 WeakPolarHBondContact O-CB 3.47Å; A173-L177 PolarHBondContact O-N 3.38Å; A173-I195 HydrophobicContact CB-CD1 4.37Å
174S95.8Very high94Very high14 Ų1448.7 Ų48.710%0.09824%0.237CC..Hα-helixtrans-63.5-45.9178.7-58.40000111.5F18 L170 T171 L177 Y178F18-S174 VanDerWaalsContact CD2-OG 3.28Å; F18-S174 WeakPolarHBondContact CD2-OG 3.38Å; L170-S174 VanDerWaalsContact O-CB 3.32Å; L170-S174 WeakPolarHBondContact O-CB 3.42Å; L170-S174 PolarHBondContact O-N 3.45Å; L170-S174 PolarHBondContact O-OG 2.92Å; T171-S174 PolarHBondContact O-N 2.9Å; S174-L177 PolarHBondContact O-N 3.25Å; S174-Y178 VanDerWaalsContact O-CB 3.29Å; S174-Y178 WeakPolarHBondContact O-CB 3.48Å; S174-Y178 PolarHBondContact O-N 3.42Å
175W96.8Very high94.4Very high17 Ų1748.4 Ų48.46%0.06424%0.24CC..Hα-helixtrans-67.8-35.7176.7-78.9111.9000113.5C15 T19 I68 L69 V72 T171 Y178 G179 I187 N191C15-W175 HydrophobicContact CB-CD2 4.45Å; C15-W175 HydrophobicContact CB-CH2 4.41Å; C15-W175 HydrophobicContact CB-CZ2 4.09Å; T19-W175 PolarHBondContact OG1-NE1 3.26Å; I68-W175 HydrophobicContact CG2-CH2 4.14Å; L69-W175 HydrophobicContact CD2-CE3 4.42Å; L69-W175 HydrophobicContact CD2-CH2 3.64Å; L69-W175 HydrophobicContact CD2-CZ3 3.48Å; L69-W175 VanDerWaalsContact CD2-CZ3 3.48Å; L69-W175 HydrophobicContact CG-CH2 4.2Å; L69-W175 HydrophobicContact CG-CZ3 3.99Å; V72-W175 HydrophobicContact CB-CZ2 4.26Å; V72-W175 HydrophobicContact CG1-CZ2 4.28Å; V72-W175 HydrophobicContact CG2-CH2 3.62Å; V72-W175 HydrophobicContact CG2-CZ2 3.44Å; V72-W175 VanDerWaalsContact CG2-CZ2 3.44Å; T171-W175 PolarHBondContact O-N 2.86Å; W175-Y178 AromaticContact CE3-CD1 3.72Å; W175-Y178 HydrophobicContact CE3-CD1 3.72Å; W175-Y178 HydrophobicContact CE3-CE1 4.39Å; W175-Y178 HydrophobicContact CE3-CG 4.3Å; W175-Y178 AromaticContact CZ3-CD1 3.61Å; W175-Y178 HydrophobicContact CZ3-CD1 3.61Å; W175-Y178 AromaticContact CZ3-CE1 3.81Å; W175-Y178 HydrophobicContact CZ3-CE1 3.81Å; W175-Y178 HydrophobicContact CZ3-CG 4.37Å; W175-Y178 WeakPolarHBondContact O-CB 3.2Å; W175-Y178 PolarHBondContact O-N 2.63Å; W175-G179 PolarHBondContact O-N 3.21Å; W175-I187 HydrophobicContact CE3-CG2 3.86Å; W175-N191 HydrophobicContact CB-CB 3.98Å; W175-N191 WeakPolarHBondContact CB-ND2 3.14Å; W175-N191 WeakPolarHBondContact CB-OD1 3.19Å
176C95.7Very high94.6Very high24 Ų2451 Ų5116%0.16225%0.25CC..Hα-helixtrans-64-44.8174.7-171.60000111S172 A173 G179 F180 N191 I195S172-C176 WeakPolarHBondContact O-CB 3.48Å; S172-C176 PolarHBondContact O-N 3.44Å; A173-C176 PolarHBondContact O-N 3.5Å; C176-G179 PolarHBondContact O-N 2.94Å; C176-F180 WeakPolarHBondContact O-CB 3.49Å; C176-F180 PolarHBondContact O-N 3.02Å; C176-N191 HydrophobicContact CB-CB 4.49Å; C176-I195 HydrophobicContact CB-CD1 3.9Å
177L94.8Very high94.8Very high88 Ų8848.1 Ų48.146%0.46124%0.235SC..Hα-helixtrans-66-38.1175.4-175.858.6000111.9I11 A173 S174 F180 R181I11-L177 HydrophobicContact CD1-CD2 3.84Å; I11-L177 HydrophobicContact CD1-CG 3.81Å; I11-L177 HydrophobicContact CG1-CD2 3.72Å; I11-L177 HydrophobicContact CG1-CG 4.07Å; I11-L177 HydrophobicContact CG2-CG 4.48Å; A173-L177 WeakPolarHBondContact O-CB 3.47Å; A173-L177 PolarHBondContact O-N 3.38Å; S174-L177 PolarHBondContact O-N 3.25Å; L177-F180 PolarHBondContact O-N 3.31Å; L177-R181 WeakPolarHBondContact O-CB 3.15Å; L177-R181 PolarHBondContact O-N 2.96Å
178Y94.9Very high94.9Very high6 Ų650 Ų502%0.02424%0.241CC..Hα-helixtrans-60.7-50173.4-175.3-103.6000112.1I11 Y12 D66 I68 S174 W175 F180 R181 L182 I187I11-Y178 HydrophobicContact CG2-CD2 4.05Å; Y12-Y178 AromaticContact CD1-CD2 3.52Å; Y12-Y178 HydrophobicContact CD1-CD2 3.52Å; Y12-Y178 AromaticContact CD1-CE2 3.3Å; Y12-Y178 HydrophobicContact CD1-CE2 3.3Å; Y12-Y178 AromaticContact CE1-CD2 3.6Å; Y12-Y178 HydrophobicContact CE1-CD2 3.6Å; Y12-Y178 AromaticContact CE1-CE2 3.27Å; Y12-Y178 HydrophobicContact CE1-CE2 3.27Å; Y12-Y178 HydrophobicContact CG-CE2 4.23Å; D66-Y178 PolarHBondContact OD1-OH 2.76Å; D66-Y178 WeakPolarHBondContact OD2-CE1 3.47Å; D66-Y178 PolarHBondContact OD2-OH 3.14Å; I68-Y178 HydrophobicContact CB-CE2 4.32Å; I68-Y178 HydrophobicContact CG1-CE2 4.25Å; I68-Y178 HydrophobicContact CG2-CE2 4.43Å; S174-Y178 VanDerWaalsContact O-CB 3.29Å; S174-Y178 WeakPolarHBondContact O-CB 3.48Å; S174-Y178 PolarHBondContact O-N 3.42Å; W175-Y178 AromaticContact CE3-CD1 3.72Å; W175-Y178 HydrophobicContact CE3-CD1 3.72Å; W175-Y178 HydrophobicContact CE3-CE1 4.39Å; W175-Y178 HydrophobicContact CE3-CG 4.3Å; W175-Y178 AromaticContact CZ3-CD1 3.61Å; W175-Y178 HydrophobicContact CZ3-CD1 3.61Å; W175-Y178 AromaticContact CZ3-CE1 3.81Å; W175-Y178 HydrophobicContact CZ3-CE1 3.81Å; W175-Y178 HydrophobicContact CZ3-CG 4.37Å; W175-Y178 WeakPolarHBondContact O-CB 3.2Å; W175-Y178 PolarHBondContact O-N 2.63Å; Y178-F180 VanDerWaalsContact C-N 3.35Å; Y178-F180 PolarHBondContact O-N 3.15Å; Y178-R181 PolarHBondContact O-N 2.73Å; Y178-R181 VanDerWaalsContact O-N 3.15Å; Y178-L182 HydrophobicContact CD1-CD1 3.93Å; Y178-L182 HydrophobicContact CD1-CG 4.47Å; Y178-L182 HydrophobicContact CE1-CD1 3.27Å; Y178-L182 HydrophobicContact CE1-CG 4.14Å; Y178-L182 HydrophobicContact CE2-CD1 4.24Å; Y178-L182 HydrophobicContact CE2-CG 4.46Å; Y178-L182 VanDerWaalsContact CZ-CD1 3.45Å; Y178-L182 WeakPolarHBondContact O-CG 3.33Å; Y178-L182 PolarHBondContact O-N 2.92Å; Y178-I187 HydrophobicContact CD1-CD1 4.28Å; Y178-I187 HydrophobicContact CD1-CG2 4.35Å; Y178-I187 HydrophobicContact CE1-CD1 4.22Å
179G94.6Very high95Very high0 Ų052.7 Ų52.70%026%0.257CS..Hα-helixtrans-59-44.8175.500000112W175 C176 R181 L182 R183 D184W175-G179 PolarHBondContact O-N 3.21Å; C176-G179 PolarHBondContact O-N 2.94Å; G179-R181 VanDerWaalsContact C-N 3.32Å; G179-R181 PolarHBondContact O-N 3.45Å; G179-L182 CarbonylContact O-C 3.59Å; G179-L182 PolarHBondContact O-N 3.44Å; G179-R183 PolarHBondContact O-N 2.93Å; G179-D184 PolarHBondContact O-N 3.35Å
180F94.1Very high95Very high143 Ų14351.6 Ų51.663%0.62725%0.251SS*.Hα-helixtrans-57.3-45.4173.9179-99.6000111.9C176 L177 Y178 L182 R183 M188C176-F180 WeakPolarHBondContact O-CB 3.49Å; C176-F180 PolarHBondContact O-N 3.02Å; L177-F180 PolarHBondContact O-N 3.31Å; Y178-F180 VanDerWaalsContact C-N 3.35Å; Y178-F180 PolarHBondContact O-N 3.15Å; F180-L182 VanDerWaalsContact C-N 3.34Å; F180-L182 PolarHBondContact O-N 3.41Å; F180-R183 PolarHBondContact O-N 2.98Å; F180-R183 VanDerWaalsContact O-N 3.08Å; F180-M188 HydrophobicContact CB-SD 4.18Å; F180-M188 HydrophobicContact CD2-SD 4.3Å
181R92.5Very high95Very high117 Ų11749.2 Ų49.244%0.44224%0.238SC..Hα-helixtrans-65.5-36.7-179-175.560.4-176.788.55.7113D8 L177 Y178 G179 R183D8-R181 WeakPolarHBondContact OD1-CD 3.48Å; D8-R181 IonicContact OD1-CZ 3.46Å; D8-R181 IonicContact OD1-NE 3.52Å; D8-R181 PolarHBondContact OD1-NE 2.69Å; D8-R181 IonicContact OD1-NH2 2.73Å; D8-R181 PolarHBondContact OD1-NH2 3.44Å; D8-R181 IonicContact OD2-CZ 2.63Å; D8-R181 IonicContact OD2-NE 3.45Å; D8-R181 IonicContact OD2-NH2 3.45Å; D8-R181 PolarHBondContact OD2-NH2 3.46Å; L177-R181 WeakPolarHBondContact O-CB 3.15Å; L177-R181 PolarHBondContact O-N 2.96Å; Y178-R181 PolarHBondContact O-N 2.73Å; Y178-R181 VanDerWaalsContact O-N 3.15Å; G179-R181 VanDerWaalsContact C-N 3.32Å; G179-R181 PolarHBondContact O-N 3.45Å; R181-R183 VanDerWaalsContact C-N 3.27Å
182L92Very high95Very high56 Ų5654.6 Ų54.629%0.29326%0.261SS..THydrogen-bonded Turntrans-80.7-3.9174.9-66.5-170.2000113.8D66 Y178 G179 F180 D184 I187D66-L182 WeakPolarHBondContact OD2-CD1 3.42Å; Y178-L182 HydrophobicContact CD1-CD1 3.93Å; Y178-L182 HydrophobicContact CD1-CG 4.47Å; Y178-L182 HydrophobicContact CE1-CD1 3.27Å; Y178-L182 HydrophobicContact CE1-CG 4.14Å; Y178-L182 HydrophobicContact CE2-CD1 4.24Å; Y178-L182 HydrophobicContact CE2-CG 4.46Å; Y178-L182 VanDerWaalsContact CZ-CD1 3.45Å; Y178-L182 WeakPolarHBondContact O-CG 3.33Å; Y178-L182 PolarHBondContact O-N 2.92Å; G179-L182 CarbonylContact O-C 3.59Å; G179-L182 PolarHBondContact O-N 3.44Å; F180-L182 VanDerWaalsContact C-N 3.34Å; F180-L182 PolarHBondContact O-N 3.41Å; L182-D184 HydrophobicContact CB-CB 4.13Å; L182-D184 PolarHBondContact O-N 3.25Å; L182-I187 HydrophobicContact CD1-CD1 4.38Å
183R94.3Very high95Very high233 Ų23356 Ų5688%0.87927%0.27SS*.THydrogen-bonded Turntrans52.837.7-169.2-57.7-179.1177.5170.3-1.3112.2G179 F180 R181 P185G179-R183 PolarHBondContact O-N 2.93Å; F180-R183 PolarHBondContact O-N 2.98Å; F180-R183 VanDerWaalsContact O-N 3.08Å; R181-R183 VanDerWaalsContact C-N 3.27Å; R183-P185 WeakPolarHBondContact O-CD 3.24Å
184D95Very high94.9Very high7 Ų753.9 Ų53.94%0.03725%0.253CS..  trans-104.8102.1179.7-171.6-27.8000110.3Y60 K64 G179 L182 Y186 I187 M188Y60-D184 WeakPolarHBondContact CE1-OD2 3.31Å; Y60-D184 PolarHBondContact OH-OD2 2.89Å; K64-D184 IonicContact NZ-OD2 2.69Å; K64-D184 PolarHBondContact NZ-OD2 2.88Å; G179-D184 PolarHBondContact O-N 3.35Å; L182-D184 HydrophobicContact CB-CB 4.13Å; L182-D184 PolarHBondContact O-N 3.25Å; D184-Y186 VanDerWaalsContact C-N 3.27Å; D184-Y186 PolarHBondContact O-N 3.43Å; D184-Y186 WeakPolarHBondContact OD1-CB 3.42Å; D184-Y186 WeakPolarHBondContact OD1-CD2 3.33Å; D184-Y186 PolarHBondContact OD1-N 2.93Å; D184-I187 HydrophobicContact CB-CB 4.47Å; D184-I187 HydrophobicContact CB-CD1 4.04Å; D184-I187 HydrophobicContact CB-CG1 4.31Å; D184-I187 PolarHBondContact OD1-N 2.98Å; D184-I187 WeakPolarHBondContact OD2-CD1 3.47Å; D184-I187 WeakPolarHBondContact OD2-CG1 3.02Å; D184-M188 WeakPolarHBondContact O-CB 3.3Å; D184-M188 PolarHBondContact O-N 3.43Å
185P94.6Very high94.9Very high69 Ų6954.6 Ų54.645%0.44826%0.255SS..Hα-helixtrans-68-26.8-179.128.5-34.4000112.4R183 M188 V189R183-P185 WeakPolarHBondContact O-CD 3.24Å; P185-M188 PolarHBondContact O-N 3.46Å; P185-V189 VanDerWaalsContact O-CB 3.24Å; P185-V189 WeakPolarHBondContact O-CB 3.41Å; P185-V189 WeakPolarHBondContact O-CG2 3.45Å; P185-V189 PolarHBondContact O-N 3.46Å
186Y96.4Very high94.8Very high57 Ų5756.7 Ų56.722%0.22427%0.27CS..Hα-helixtrans-68.3-44.2-176.5-56.8-68.1000111.2Q127 G130 L131 S134 D184 S190Q127-Y186 PolarHBondContact O-OH 3.47Å; G130-Y186 VanDerWaalsContact C-CD1 3.47Å; L131-Y186 HydrophobicContact CB-CD1 4.34Å; L131-Y186 HydrophobicContact CB-CE1 3.9Å; L131-Y186 HydrophobicContact CD1-CE1 4.45Å; S134-Y186 PolarHBondContact OG-O 3.39Å; S134-Y186 VanDerWaalsContact OG-O 3.09Å; D184-Y186 VanDerWaalsContact C-N 3.27Å; D184-Y186 PolarHBondContact O-N 3.43Å; D184-Y186 WeakPolarHBondContact OD1-CB 3.42Å; D184-Y186 WeakPolarHBondContact OD1-CD2 3.33Å; D184-Y186 PolarHBondContact OD1-N 2.93Å; Y186-S190 VanDerWaalsContact O-CB 3.25Å; Y186-S190 WeakPolarHBondContact O-CB 3.43Å; Y186-S190 PolarHBondContact O-N 3.47Å; Y186-S190 PolarHBondContact O-OG 3.33Å
187I95.7Very high94.7Very high1 Ų155.7 Ų55.71%0.00526%0.263CS..Hα-helixtrans-67.4-45175.3-59.2171.7000110.2W57 Y60 L69 W175 Y178 L182 D184 S190 N191W57-I187 HydrophobicContact CH2-CB 4.4Å; W57-I187 HydrophobicContact CH2-CG1 3.84Å; W57-I187 HydrophobicContact CZ3-CG1 3.55Å; Y60-I187 HydrophobicContact CE1-CD1 4.43Å; Y60-I187 HydrophobicContact CE1-CG1 4.44Å; L69-I187 HydrophobicContact CD1-CD1 3.78Å; L69-I187 HydrophobicContact CD1-CG1 4.5Å; L69-I187 HydrophobicContact CG-CD1 4.49Å; W175-I187 HydrophobicContact CE3-CG2 3.86Å; Y178-I187 HydrophobicContact CD1-CD1 4.28Å; Y178-I187 HydrophobicContact CD1-CG2 4.35Å; Y178-I187 HydrophobicContact CE1-CD1 4.22Å; L182-I187 HydrophobicContact CD1-CD1 4.38Å; D184-I187 HydrophobicContact CB-CB 4.47Å; D184-I187 HydrophobicContact CB-CD1 4.04Å; D184-I187 HydrophobicContact CB-CG1 4.31Å; D184-I187 PolarHBondContact OD1-N 2.98Å; D184-I187 WeakPolarHBondContact OD2-CD1 3.47Å; D184-I187 WeakPolarHBondContact OD2-CG1 3.02Å; I187-S190 PolarHBondContact O-OG 3.05Å; I187-N191 PolarHBondContact O-N 2.88Å; I187-N191 PolarHBondContact O-ND2 2.94Å
188M95.7Very high94.7Very high62 Ų6251.5 Ų51.531%0.30524%0.241SC..Hα-helixtrans-63.1-52.4-176.8-173.9-177.870.400111.8F180 D184 P185 S190 N191 F192F180-M188 HydrophobicContact CB-SD 4.18Å; F180-M188 HydrophobicContact CD2-SD 4.3Å; D184-M188 WeakPolarHBondContact O-CB 3.3Å; D184-M188 PolarHBondContact O-N 3.43Å; P185-M188 PolarHBondContact O-N 3.46Å; M188-S190 PolarHBondContact O-N 3.22Å; M188-N191 PolarHBondContact O-N 3.13Å; M188-F192 PolarHBondContact O-N 3.35Å
189V94.7Very high94.7Very high71 Ų7157.4 Ų57.443%0.4327%0.267SS..Hα-helixtrans-68.8-36-175.1174.10000111.7I138 P185 N191 F192 P193I138-V189 HydrophobicContact CD1-CG1 4.21Å; P185-V189 VanDerWaalsContact O-CB 3.24Å; P185-V189 WeakPolarHBondContact O-CB 3.41Å; P185-V189 WeakPolarHBondContact O-CG2 3.45Å; P185-V189 PolarHBondContact O-N 3.46Å; V189-N191 VanDerWaalsContact C-N 3.25Å; V189-N191 PolarHBondContact O-N 3.28Å; V189-F192 PolarHBondContact O-N 2.99Å; V189-P193 WeakPolarHBondContact O-CD 3.29Å
190S95.3Very high94.7Very high0 Ų060.6 Ų60.60%028%0.284CS..Hα-helixtrans-64.9-29.2179.653.90000113.8W57 S134 Y186 I187 M188W57-S190 WeakPolarHBondContact CZ2-OG 3.49Å; S134-S190 WeakPolarHBondContact OG-CB 3.28Å; Y186-S190 VanDerWaalsContact O-CB 3.25Å; Y186-S190 WeakPolarHBondContact O-CB 3.43Å; Y186-S190 PolarHBondContact O-N 3.47Å; Y186-S190 PolarHBondContact O-OG 3.33Å; I187-S190 PolarHBondContact O-OG 3.05Å; M188-S190 PolarHBondContact O-N 3.22Å
191N96.1Very high94.6Very high18 Ų1855 Ų5510%0.09626%0.258CS..Hα-helixtrans-91.9-18.8-178.2-77.2-85000113.5S172 W175 C176 I187 M188 V189 G194S172-N191 WeakPolarHBondContact CB-O 3.37Å; W175-N191 HydrophobicContact CB-CB 3.98Å; W175-N191 WeakPolarHBondContact CB-ND2 3.14Å; W175-N191 WeakPolarHBondContact CB-OD1 3.19Å; C176-N191 HydrophobicContact CB-CB 4.49Å; I187-N191 PolarHBondContact O-N 2.88Å; I187-N191 PolarHBondContact O-ND2 2.94Å; M188-N191 PolarHBondContact O-N 3.13Å; V189-N191 VanDerWaalsContact C-N 3.25Å; V189-N191 PolarHBondContact O-N 3.28Å; N191-G194 PolarHBondContact O-N 3.26Å
192F94.5Very high94.7Very high118 Ų11852 Ų5252%0.51825%0.249SC..Hα-helixtrans-57.7-42-179-171.6-102.3000114M188 V189 G194 I195 V196M188-F192 PolarHBondContact O-N 3.35Å; V189-F192 PolarHBondContact O-N 2.99Å; F192-G194 PolarHBondContact O-N 2.99Å; F192-I195 WeakPolarHBondContact O-CB 3.43Å; F192-I195 PolarHBondContact O-N 2.94Å; F192-I195 VanDerWaalsContact O-N 3.07Å; F192-V196 HydrophobicContact CD1-CG2 3.99Å; F192-V196 HydrophobicContact CE1-CG2 3.61Å; F192-V196 HydrophobicContact CZ-CG2 4.03Å; F192-V196 PolarHBondContact O-N 3.49Å; F192-V196 VanDerWaalsContact O-N 3.15Å
193P94.9Very high94.8Very high31 Ų3155.7 Ų55.720%0.20126%0.259CS..Hα-helixtrans-58.9-31.3174.7-25.534.9000113.7I138 Y141 V189 I195 V196 T197I138-P193 HydrophobicContact CG1-CG 4.22Å; I138-P193 HydrophobicContact CG2-CG 4.47Å; Y141-P193 HydrophobicContact CD2-CB 3.71Å; Y141-P193 HydrophobicContact CD2-CG 4.34Å; Y141-P193 HydrophobicContact CE2-CB 4.04Å; Y141-P193 HydrophobicContact CG-CB 3.99Å; V189-P193 WeakPolarHBondContact O-CD 3.29Å; P193-I195 VanDerWaalsContact C-N 3.31Å; P193-I195 PolarHBondContact O-N 2.93Å; P193-V196 PolarHBondContact O-N 2.88Å; P193-T197 WeakPolarHBondContact O-CB 3.45Å; P193-T197 VanDerWaalsContact O-CG2 3.26Å; P193-T197 WeakPolarHBondContact O-CG2 3.44Å; P193-T197 PolarHBondContact O-N 3.48Å; P193-T197 PolarHBondContact O-OG1 2.89Å
194G94Very high94.7Very high0 Ų044.6 Ų44.60%022%0.217CC..Hα-helixtrans-64-36.2175.800000113.2Y141 S172 N191 F192 T197 S198Y141-G194 VanDerWaalsContact CZ-CA 3.4Å; Y141-G194 WeakPolarHBondContact OH-CA 3.5Å; S172-G194 WeakPolarHBondContact OG-CA 3.46Å; N191-G194 PolarHBondContact O-N 3.26Å; F192-G194 PolarHBondContact O-N 2.99Å; G194-T197 WeakPolarHBondContact CA-OG1 3.46Å; G194-T197 PolarHBondContact O-OG1 3.39Å; G194-S198 VanDerWaalsContact O-CB 3.3Å; G194-S198 WeakPolarHBondContact O-CB 3.37Å; G194-S198 PolarHBondContact O-N 3.41Å; G194-S198 VanDerWaalsContact O-N 3.14Å; G194-S198 PolarHBondContact O-OG 3.44Å
195I95.6Very high94.5Very high28 Ų2845.9 Ų45.914%0.14422%0.222CC..Hα-helixtrans-66.1-52.6173.5-57.8176000109.6A173 C176 F192 P193 T197 S198 F199A173-I195 HydrophobicContact CB-CD1 4.37Å; C176-I195 HydrophobicContact CB-CD1 3.9Å; F192-I195 WeakPolarHBondContact O-CB 3.43Å; F192-I195 PolarHBondContact O-N 2.94Å; F192-I195 VanDerWaalsContact O-N 3.07Å; P193-I195 VanDerWaalsContact C-N 3.31Å; P193-I195 PolarHBondContact O-N 2.93Å; I195-T197 PolarHBondContact O-N 2.79Å; I195-S198 PolarHBondContact O-N 2.88Å; I195-F199 HydrophobicContact CG2-CD2 3.72Å; I195-F199 HydrophobicContact CG2-CE2 3.45Å; I195-F199 VanDerWaalsContact CG2-CE2 3.45Å; I195-F199 VanDerWaalsContact O-CD2 3.26Å; I195-F199 WeakPolarHBondContact O-CD2 3.2Å; I195-F199 PolarHBondContact O-N 3.34Å
196V95Very high94.3Very high61 Ų6153.8 Ų53.837%0.3724%0.243SC..Hα-helixtrans-58.2-50.8-178.3175.40000111.2F192 P193 S198 F199 I200F192-V196 HydrophobicContact CD1-CG2 3.99Å; F192-V196 HydrophobicContact CE1-CG2 3.61Å; F192-V196 HydrophobicContact CZ-CG2 4.03Å; F192-V196 PolarHBondContact O-N 3.49Å; F192-V196 VanDerWaalsContact O-N 3.15Å; P193-V196 PolarHBondContact O-N 2.88Å; V196-S198 VanDerWaalsContact C-N 3.27Å; V196-S198 PolarHBondContact O-N 3.38Å; V196-F199 PolarHBondContact O-N 2.93Å; V196-I200 HydrophobicContact CG1-CD1 4.04Å; V196-I200 WeakPolarHBondContact O-CG1 3.36Å; V196-I200 PolarHBondContact O-N 3.43Å; V196-I200 VanDerWaalsContact O-N 3.09Å
197T93.3Very high94.1Very high3 Ų356.4 Ų56.42%0.01826%0.256CS..Hα-helixtrans-61.5-36.2179.653.50000112.2L145 L148 P193 G194 I195 I200 R201L145-T197 HydrophobicContact CD1-CG2 3.25Å; L148-T197 HydrophobicContact CD1-CG2 4.44Å; P193-T197 WeakPolarHBondContact O-CB 3.45Å; P193-T197 VanDerWaalsContact O-CG2 3.26Å; P193-T197 WeakPolarHBondContact O-CG2 3.44Å; P193-T197 PolarHBondContact O-N 3.48Å; P193-T197 PolarHBondContact O-OG1 2.89Å; G194-T197 WeakPolarHBondContact CA-OG1 3.46Å; G194-T197 PolarHBondContact O-OG1 3.39Å; I195-T197 PolarHBondContact O-N 2.79Å; T197-I200 PolarHBondContact O-N 3.05Å; T197-R201 WeakPolarHBondContact O-CG 3.29Å; T197-R201 PolarHBondContact O-N 2.94Å; T197-R201 PolarHBondContact OG1-NH1 3.02Å
198S94.9Very high93.8Very high0 Ų057.6 Ų57.60%026%0.26CS..Hα-helixtrans-69.3-40.1178.1-580000112.7G194 I195 V196 I200 R201 F202G194-S198 VanDerWaalsContact O-CB 3.3Å; G194-S198 WeakPolarHBondContact O-CB 3.37Å; G194-S198 PolarHBondContact O-N 3.41Å; G194-S198 VanDerWaalsContact O-N 3.14Å; G194-S198 PolarHBondContact O-OG 3.44Å; I195-S198 PolarHBondContact O-N 2.88Å; V196-S198 VanDerWaalsContact C-N 3.27Å; V196-S198 PolarHBondContact O-N 3.38Å; S198-I200 VanDerWaalsContact C-N 3.31Å; S198-I200 PolarHBondContact O-N 2.86Å; S198-R201 WeakPolarHBondContact O-CB 3.29Å; S198-R201 PolarHBondContact O-N 2.66Å; S198-F202 WeakPolarHBondContact O-CD2 3.3Å; S198-F202 WeakPolarHBondContact O-CG 3.29Å; S198-F202 PolarHBondContact O-N 3.38Å
199F95.3Very high93.1Very high130 Ų13058.1 Ų58.157%0.5727%0.269SS*.Hα-helixtrans-61.8-40.1172.9-80.3-65.7000112.4I195 V196 R201 F202 W203I195-F199 HydrophobicContact CG2-CD2 3.72Å; I195-F199 HydrophobicContact CG2-CE2 3.45Å; I195-F199 VanDerWaalsContact CG2-CE2 3.45Å; I195-F199 VanDerWaalsContact O-CD2 3.26Å; I195-F199 WeakPolarHBondContact O-CD2 3.2Å; I195-F199 PolarHBondContact O-N 3.34Å; V196-F199 PolarHBondContact O-N 2.93Å; F199-R201 VanDerWaalsContact C-N 3.35Å; F199-F202 PolarHBondContact O-N 3.32Å; F199-W203 PolarHBondContact O-N 2.86Å
200I94.2Very high92Very high68 Ų6861.5 Ų61.535%0.34928%0.279SS..Hα-helixtrans-62.3-43.8173.9-61.4166.5000110.3L148 V196 T197 S198 F202 W203 L204L148-I200 HydrophobicContact CD1-CB 4.15Å; L148-I200 HydrophobicContact CD1-CD1 4.43Å; L148-I200 HydrophobicContact CD1-CG2 3.88Å; L148-I200 HydrophobicContact CD2-CG2 4.3Å; V196-I200 HydrophobicContact CG1-CD1 4.04Å; V196-I200 WeakPolarHBondContact O-CG1 3.36Å; V196-I200 PolarHBondContact O-N 3.43Å; V196-I200 VanDerWaalsContact O-N 3.09Å; T197-I200 PolarHBondContact O-N 3.05Å; S198-I200 VanDerWaalsContact C-N 3.31Å; S198-I200 PolarHBondContact O-N 2.86Å; I200-F202 PolarHBondContact O-N 3.34Å; I200-W203 WeakPolarHBondContact O-CB 3.29Å; I200-W203 PolarHBondContact O-N 3.1Å; I200-L204 HydrophobicContact CG2-CD1 4.14Å; I200-L204 HydrophobicContact CG2-CG 4.35Å; I200-L204 WeakPolarHBondContact O-CG 3.45Å; I200-L204 PolarHBondContact O-N 3.06Å
201R93.3Very high90.6Very high24 Ų2467.3 Ų67.39%0.09131%0.307CS..Hα-helixtrans-59-45.6175.6-72.7179.9-172.8117.2-21.4112.4L148 L160 T165 T197 S198 F199 W203 L204 F205L148-R201 HydrophobicContact CD2-CB 4.47Å; L148-R201 HydrophobicContact CD2-CG 3.41Å; L148-R201 VanDerWaalsContact CD2-CG 3.41Å; L160-R201 HydrophobicContact CD1-CB 4.48Å; L160-R201 HydrophobicContact CD1-CG 4.1Å; L160-R201 HydrophobicContact CD2-CG 4.39Å; T165-R201 HydrophobicContact CG2-CB 3.58Å; T165-R201 HydrophobicContact CG2-CG 4.35Å; T165-R201 VanDerWaalsContact OG1-CD 3.27Å; T165-R201 WeakPolarHBondContact OG1-CD 3.45Å; T197-R201 WeakPolarHBondContact O-CG 3.29Å; T197-R201 PolarHBondContact O-N 2.94Å; T197-R201 PolarHBondContact OG1-NH1 3.02Å; S198-R201 WeakPolarHBondContact O-CB 3.29Å; S198-R201 PolarHBondContact O-N 2.66Å; F199-R201 VanDerWaalsContact C-N 3.35Å; R201-W203 VanDerWaalsContact C-N 3.3Å; R201-W203 PolarHBondContact O-N 3.4Å; R201-L204 WeakPolarHBondContact O-CB 3.43Å; R201-L204 PolarHBondContact O-N 3.01Å; R201-L204 VanDerWaalsContact O-N 3.11Å; R201-F205 HydrophobicContact CB-CD2 4.43Å; R201-F205 HydrophobicContact CB-CE2 4.2Å; R201-F205 WeakPolarHBondContact O-CD2 3.22Å; R201-F205 PolarHBondContact O-N 2.92Å
202F94.2Very high88.5Confident55 Ų5573.7 Ų73.724%0.24134%0.336CS..Hα-helixtrans-59.6-42.4176.8-69.5-50.3000112.1Y162 T165 I166 V169 S198 F199 I200 L204 F205 W206Y162-F202 HydrophobicContact CD2-CE1 4.48Å; Y162-F202 AromaticContact CE2-CD1 3.89Å; Y162-F202 HydrophobicContact CE2-CD1 3.89Å; Y162-F202 AromaticContact CE2-CE1 3.92Å; Y162-F202 HydrophobicContact CE2-CE1 3.92Å; T165-F202 HydrophobicContact CG2-CD1 4.01Å; T165-F202 HydrophobicContact CG2-CD2 4.4Å; T165-F202 HydrophobicContact CG2-CE1 3.66Å; T165-F202 HydrophobicContact CG2-CE2 4.08Å; T165-F202 HydrophobicContact CG2-CG 4.37Å; T165-F202 HydrophobicContact CG2-CZ 3.7Å; I166-F202 HydrophobicContact CG1-CE1 3.93Å; I166-F202 HydrophobicContact CG1-CZ 3.9Å; V169-F202 HydrophobicContact CB-CE2 4.28Å; V169-F202 HydrophobicContact CG1-CE2 3.93Å; V169-F202 HydrophobicContact CG1-CZ 4.08Å; S198-F202 WeakPolarHBondContact O-CD2 3.3Å; S198-F202 WeakPolarHBondContact O-CG 3.29Å; S198-F202 PolarHBondContact O-N 3.38Å; F199-F202 PolarHBondContact O-N 3.32Å; I200-F202 PolarHBondContact O-N 3.34Å; F202-L204 VanDerWaalsContact C-N 3.34Å; F202-L204 PolarHBondContact O-N 3.39Å; F202-F205 PolarHBondContact O-N 2.82Å; F202-W206 PolarHBondContact O-N 2.98Å
203W93.8Very high86Confident133 Ų13374 Ų7450%0.50434%0.343SS..Hα-helixtrans-62.6-40.1173.8178.783.6000112.4F199 I200 R201 W206 K207F199-W203 PolarHBondContact O-N 2.86Å; I200-W203 WeakPolarHBondContact O-CB 3.29Å; I200-W203 PolarHBondContact O-N 3.1Å; R201-W203 VanDerWaalsContact C-N 3.3Å; R201-W203 PolarHBondContact O-N 3.4Å; W203-W206 PolarHBondContact O-N 3.09Å; W203-K207 HydrophobicContact CH2-CD 3.42Å; W203-K207 VanDerWaalsContact CH2-CD 3.42Å; W203-K207 HydrophobicContact CZ2-CD 3.44Å; W203-K207 VanDerWaalsContact CZ2-CD 3.44Å; W203-K207 HydrophobicContact CZ3-CD 4.03Å; W203-K207 WeakPolarHBondContact O-CB 3.34Å; W203-K207 PolarHBondContact O-N 3.43Å
204L91.8Very high83.6Confident0 Ų081.6 Ų81.60%037%0.368CS..Hα-helixtrans-66.1-40.4176-68.3173.2000112.5L148 V151 I152 T157 L160 I200 R201 F202 W206 K207 Y208L148-L204 HydrophobicContact CB-CD1 4.22Å; L148-L204 HydrophobicContact CD2-CD1 3.52Å; L148-L204 HydrophobicContact CG-CD1 4.43Å; V151-L204 HydrophobicContact CB-CD1 4.27Å; V151-L204 HydrophobicContact CG1-CB 4.19Å; V151-L204 HydrophobicContact CG1-CD1 3.97Å; V151-L204 HydrophobicContact CG1-CD2 4.2Å; V151-L204 HydrophobicContact CG1-CG 4.36Å; I152-L204 HydrophobicContact CD1-CD2 4.41Å; I152-L204 HydrophobicContact CG1-CD2 3.75Å; T157-L204 HydrophobicContact CG2-CB 4.37Å; L160-L204 HydrophobicContact CD1-CD1 4.47Å; I200-L204 HydrophobicContact CG2-CD1 4.14Å; I200-L204 HydrophobicContact CG2-CG 4.35Å; I200-L204 WeakPolarHBondContact O-CG 3.45Å; I200-L204 PolarHBondContact O-N 3.06Å; R201-L204 WeakPolarHBondContact O-CB 3.43Å; R201-L204 PolarHBondContact O-N 3.01Å; R201-L204 VanDerWaalsContact O-N 3.11Å; F202-L204 VanDerWaalsContact C-N 3.34Å; F202-L204 PolarHBondContact O-N 3.39Å; L204-W206 VanDerWaalsContact C-N 3.28Å; L204-W206 PolarHBondContact O-N 2.98Å; L204-K207 PolarHBondContact O-N 3.41Å; L204-Y208 HydrophobicContact CB-CD2 4.48Å; L204-Y208 HydrophobicContact CD2-CD2 3.74Å; L204-Y208 HydrophobicContact CD2-CE2 3.52Å; L204-Y208 PolarHBondContact O-N 3.17Å
205F91.1Very high81.3Confident34 Ų3486.6 Ų86.615%0.14940%0.395CS..Hα-helixtrans-61.1-37.1173.5-74.9-59000112.3T157 L160 Y162 T165 R201 F202T157-F205 HydrophobicContact CG2-CD1 3.97Å; T157-F205 HydrophobicContact CG2-CE1 4.39Å; L160-F205 HydrophobicContact CB-CE1 3.8Å; L160-F205 HydrophobicContact CB-CE2 4.36Å; L160-F205 HydrophobicContact CB-CZ 3.46Å; L160-F205 VanDerWaalsContact CB-CZ 3.46Å; L160-F205 HydrophobicContact CD1-CZ 4.34Å; Y162-F205 HydrophobicContact CD2-CD1 4.47Å; Y162-F205 AromaticContact CD2-CD2 3.65Å; Y162-F205 HydrophobicContact CD2-CD2 3.65Å; Y162-F205 AromaticContact CD2-CE2 3.86Å; Y162-F205 HydrophobicContact CD2-CE2 3.86Å; Y162-F205 AromaticContact CD2-CG 3.99Å; Y162-F205 HydrophobicContact CD2-CG 3.99Å; Y162-F205 HydrophobicContact CD2-CZ 4.35Å; Y162-F205 HydrophobicContact CE2-CD2 4.31Å; T165-F205 HydrophobicContact CG2-CE2 4.4Å; R201-F205 HydrophobicContact CB-CD2 4.43Å; R201-F205 HydrophobicContact CB-CE2 4.2Å; R201-F205 WeakPolarHBondContact O-CD2 3.22Å; R201-F205 PolarHBondContact O-N 2.92Å; F202-F205 PolarHBondContact O-N 2.82Å
206W90.6Very high78.9Confident236 Ų23694 Ų9489%0.89442%0.422SS*.Hα-helixtrans-68.5-37.5174.6-174.8-79000112.2F202 W203 L204F202-W206 PolarHBondContact O-N 2.98Å; W203-W206 PolarHBondContact O-N 3.09Å; L204-W206 VanDerWaalsContact C-N 3.28Å; L204-W206 PolarHBondContact O-N 2.98Å
207K92Very high76.4Confident112 Ų112100.4 Ų100.449%0.48744%0.44SS..Hα-helixtrans-86.4-36.5-171.7-176.2168.8-177.7168.20114.4W203 L204W203-K207 HydrophobicContact CH2-CD 3.42Å; W203-K207 VanDerWaalsContact CH2-CD 3.42Å; W203-K207 HydrophobicContact CZ2-CD 3.44Å; W203-K207 VanDerWaalsContact CZ2-CD 3.44Å; W203-K207 HydrophobicContact CZ3-CD 4.03Å; W203-K207 WeakPolarHBondContact O-CB 3.34Å; W203-K207 PolarHBondContact O-N 3.43Å; L204-K207 PolarHBondContact O-N 3.41Å
208Y89.8Confident74.2Confident25 Ų25106.8 Ų106.810%0.09847%0.467CS..SBendtrans-117.8136.2-172-63.6-51.6000111.1V151 I152 K155 L204V151-Y208 HydrophobicContact CG1-CD2 3.88Å; V151-Y208 HydrophobicContact CG1-CE2 4.48Å; I152-Y208 HydrophobicContact CG1-CE2 4.45Å; K155-Y208 HydrophobicContact CB-CD1 4.04Å; K155-Y208 HydrophobicContact CB-CE1 4.19Å; K155-Y208 HydrophobicContact CD-CD1 3.98Å; K155-Y208 HydrophobicContact CD-CE1 3.25Å; K155-Y208 HydrophobicContact CG-CE1 4.33Å; K155-Y208 PolarHBondContact NZ-OH 3.38Å; L204-Y208 HydrophobicContact CB-CD2 4.48Å; L204-Y208 HydrophobicContact CD2-CD2 3.74Å; L204-Y208 HydrophobicContact CD2-CE2 3.52Å; L204-Y208 PolarHBondContact O-N 3.17Å
209P80.8Confident72Confident74 Ų74113.6 Ų113.648%0.48150%0.503SS..  trans-66.4155-179.429.9-35.3000111.3T157 E211T157-P209 PolarHBondContact N-O 3.4Å; T157-P209 PolarHBondContact OG1-O 3.3Å; P209-E211 HydrophobicContact CB-CB 4.31Å; P209-E211 PolarHBondContact O-N 2.78Å
210Q72Confident69.7Low141 Ų141116.1 Ų116.166%0.65952%0.516SS*.  trans-83.110.8174.8-155.3-179.5-25.700112T157T157-Q210 WeakPolarHBondContact OG1-CA 3.37Å
211E65.9Low67.4Low123 Ų123120.9 Ų120.958%0.57555%0.549SS*.  trans-74.1130.4-158-125.7167.6179.300114.7P209P209-E211 HydrophobicContact CB-CB 4.31Å; P209-E211 PolarHBondContact O-N 2.78Å
212Q51Low66.1Low152 Ų152125.7 Ų125.771%0.7157%0.572SS**  trans-78.7125.9160.1-152.9166.36.300106.2R214Q212-R214 PolarHBondContact O-N 3.26Å
213D41.8Very low64.6Low124 Ų124129.4 Ų129.466%0.66359%0.589SS**  trans-48.8109.4-179-115.2-36.8000111.2N215D213-N215 PolarHBondContact O-N 3.47Å
214R45.2Very low63Low190 Ų190129.2 Ų129.272%0.71759%0.594SS**THydrogen-bonded Turntrans-73.39.7-178.4-143.9-179.6-139.5-153.55.2113Q212Q212-R214 PolarHBondContact O-N 3.26Å
215N45.2Very low61.3Low106 Ų106136.8 Ų136.857%0.56763%0.629SS**THydrogen-bonded Turntrans-97.2-5.1-169.7-79.7-19.6000115.4D213D213-N215 PolarHBondContact O-N 3.47Å
216Y45.9Very low59.5Low184 Ų184143.3 Ų143.372%0.72266%0.659SS**SBendtrans-82.2-20.8174.2-75.3-79000113.9
217W42.1Very low57.4Low195 Ų195137.1 Ų137.174%0.73964%0.643SS**G310 helixtrans-76.9-23.5-179-154.886.5000112.9
218F46.9Very low54.9Low137 Ų137138.9 Ų138.960%0.60165%0.654SS**G310 helixtrans-90.90.1177.9-68.4-72.6000114.3
219L49.9Very low52.2Low142 Ų142147.6 Ų147.674%0.74370%0.697SS**G310 helixtrans-106.19.8177.3-70.1169.7000113
220Q47.1Very low49.9Very low183 Ų183153.8 Ų153.886%0.85572%0.715SS**  trans-119.310175.6-80.1-172.5-1400114.2
221T45.5Very low47.9Very low168 Ų168154.9 Ų154.9100%1.03172%0.72SS**  trans-100.70163.346.50000109.9

Retrieved 221 of 221 residues in 1969.8 ms (Link to these results)

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