A0A024RAA1_HUMAN Loading...

Lysosomal amino acid transporter 1 homolog

Amino acid transporter that specifically mediates the pH-dependent export of the cationic amino acids arginine, histidine and lysine from lysosomes.

AlphaFold DB , UniProt , Accession A0A024RAA1, Species HUMAN (Homo sapiens, Human), Gene PQLC2, Length 226 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M32.6Very low55Low210 Ų210102.7 Ų102.7100%1.03453%0.53SS*.  052.10-153.3163.486.700107.5
2D31.1Very low56.3Low158 Ų15897.9 Ų97.985%0.84552%0.524SS*.  trans-123.126.4-146-42-48.1000113.5
3Q43.3Very low57.7Low139 Ų13995.9 Ų95.965%0.6551%0.505SS*.  trans-121.519.3177.8-72.8-171.5-1300113.7
4A47.7Very low59.1Low85 Ų8591.2 Ų91.270%0.70248%0.48SS*.SBendtrans-99.1106172.800000109.3
5L54.3Low60.1Low83 Ų8387.1 Ų87.144%0.43547%0.469SS..  trans37.8115.1161.8-13382.5000117.2L7 F9 L10 M47L5-L7 PolarHBondContact O-N 2.84Å; L5-F9 HydrophobicContact CD1-CD1 4.11Å; L5-F9 HydrophobicContact CD1-CE1 4.12Å; L5-F9 HydrophobicContact CD2-CD1 3.83Å; L5-F9 HydrophobicContact CD2-CE1 4.21Å; L5-F9 HydrophobicContact CG-CD1 3.73Å; L5-F9 HydrophobicContact CG-CE1 4.21Å; L5-L10 HydrophobicContact CD2-CB 4.45Å; L5-L10 HydrophobicContact CD2-CD1 4.22Å; L5-M47 HydrophobicContact CD2-SD 4Å
6S63.8Low61.2Low71 Ų7181.8 Ų81.850%0.49744%0.44SS..  trans-55.5130.5175.3178.80000111W8 F9 L10S6-W8 PolarHBondContact O-N 3.04Å; S6-W8 VanDerWaalsContact O-N 3.16Å; S6-W8 PolarHBondContact OG-N 3.36Å; S6-F9 WeakPolarHBondContact O-CA 3.02Å; S6-F9 VanDerWaalsContact O-CB 3.24Å; S6-F9 WeakPolarHBondContact O-CB 3.47Å; S6-F9 PolarHBondContact O-N 3.41Å; S6-L10 PolarHBondContact O-N 2.9Å; S6-L10 VanDerWaalsContact O-N 3.09Å
7L64.8Low62.3Low46 Ų4677.1 Ų77.124%0.24142%0.415CS..Hα-helixtrans-53.6-36.9175.7177.561.3000111.6L5 F9 L10 L11 Y51L5-L7 PolarHBondContact O-N 2.84Å; L7-F9 VanDerWaalsContact C-N 3.29Å; L7-F9 PolarHBondContact O-N 2.79Å; L7-L10 PolarHBondContact O-N 2.76Å; L7-L11 HydrophobicContact CD1-CD1 4.37Å; L7-L11 HydrophobicContact CD1-CG 4.3Å; L7-L11 HydrophobicContact CG-CD1 4.08Å; L7-L11 HydrophobicContact CG-CG 4.45Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 WeakPolarHBondContact O-CG 3.13Å; L7-L11 PolarHBondContact O-N 3.06Å; L7-Y51 HydrophobicContact CD1-CD1 4.15Å; L7-Y51 HydrophobicContact CD1-CE1 3.68Å
8W63.2Low63.2Low206 Ų20675.1 Ų75.178%0.7841%0.408SS*.Hα-helixtrans-64.8-33.2175.8-64.3109.4000113.1S6 G12S6-W8 PolarHBondContact O-N 3.04Å; S6-W8 VanDerWaalsContact O-N 3.16Å; S6-W8 PolarHBondContact OG-N 3.36Å; W8-G12 PolarHBondContact O-N 2.9Å
9F66.8Low63.9Low53 Ų5373.3 Ų73.323%0.23240%0.401CS..Hα-helixtrans-69.8-42.7174.8-179.2-94.7000110.8L5 S6 L7 G12 W13L5-F9 HydrophobicContact CD1-CD1 4.11Å; L5-F9 HydrophobicContact CD1-CE1 4.12Å; L5-F9 HydrophobicContact CD2-CD1 3.83Å; L5-F9 HydrophobicContact CD2-CE1 4.21Å; L5-F9 HydrophobicContact CG-CD1 3.73Å; L5-F9 HydrophobicContact CG-CE1 4.21Å; S6-F9 WeakPolarHBondContact O-CA 3.02Å; S6-F9 VanDerWaalsContact O-CB 3.24Å; S6-F9 WeakPolarHBondContact O-CB 3.47Å; S6-F9 PolarHBondContact O-N 3.41Å; L7-F9 VanDerWaalsContact C-N 3.29Å; L7-F9 PolarHBondContact O-N 2.79Å; F9-G12 PolarHBondContact O-N 3.29Å; F9-W13 HydrophobicContact CD1-CE3 4.29Å; F9-W13 AromaticContact CE1-CE3 3.57Å; F9-W13 HydrophobicContact CE1-CE3 3.57Å; F9-W13 AromaticContact CE1-CZ3 3.78Å; F9-W13 HydrophobicContact CE1-CZ3 3.78Å; F9-W13 HydrophobicContact CZ-CE3 4.22Å; F9-W13 HydrophobicContact CZ-CZ3 4.36Å; F9-W13 PolarHBondContact O-N 2.91Å
10L67.5Low64.6Low4 Ų470.6 Ų70.62%0.02139%0.386CS..Hα-helixtrans-65.5-41.3176.9-171.162.5000112.5L5 S6 L7 G12 W13 I14 M47 L48 Y51L5-L10 HydrophobicContact CD2-CB 4.45Å; L5-L10 HydrophobicContact CD2-CD1 4.22Å; S6-L10 PolarHBondContact O-N 2.9Å; S6-L10 VanDerWaalsContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 2.76Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-W13 PolarHBondContact O-N 3.46Å; L10-I14 PolarHBondContact O-N 3.45Å; L10-I14 VanDerWaalsContact O-N 3.1Å; L10-M47 HydrophobicContact CD1-CB 4.2Å; L10-M47 HydrophobicContact CD1-CE 4.2Å; L10-M47 HydrophobicContact CD1-CG 3.9Å; L10-M47 HydrophobicContact CD1-SD 3.5Å; L10-M47 VanDerWaalsContact CD1-SD 3.5Å; L10-L48 HydrophobicContact CD2-CB 4.32Å; L10-L48 HydrophobicContact CD2-CD1 3.65Å; L10-L48 HydrophobicContact CG-CD1 4.18Å; L10-Y51 HydrophobicContact CD2-CG 4.38Å
11L70.6Confident65.2Low75 Ų7568.6 Ų68.639%0.39338%0.375SS..Hα-helixtrans-65.7-37175.5-71.7173.5000112.4L7 W13 I14 G15L7-L11 HydrophobicContact CD1-CD1 4.37Å; L7-L11 HydrophobicContact CD1-CG 4.3Å; L7-L11 HydrophobicContact CG-CD1 4.08Å; L7-L11 HydrophobicContact CG-CG 4.45Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 WeakPolarHBondContact O-CG 3.13Å; L7-L11 PolarHBondContact O-N 3.06Å; L11-W13 VanDerWaalsContact C-N 3.32Å; L11-I14 VanDerWaalsContact O-CG2 3.25Å; L11-I14 WeakPolarHBondContact O-CG2 3.26Å; L11-G15 PolarHBondContact O-N 2.91Å; L11-G15 VanDerWaalsContact O-N 3.12Å
12G70.6Confident67.2Low45 Ų4562.8 Ų62.846%0.46435%0.347SS..Hα-helixtrans-65.9-35.9173.400000112.6W8 F9 L10 G16W8-G12 PolarHBondContact O-N 2.9Å; F9-G12 PolarHBondContact O-N 3.29Å; L10-G12 VanDerWaalsContact C-N 3.34Å; G12-G16 PolarHBondContact O-N 2.83Å
13W74.4Confident69Low72 Ų7255.3 Ų55.327%0.27331%0.307SS..Hα-helixtrans-66-51.1177.9-150.9-28.9000111.3F9 L10 L11 G15 G16 D17F9-W13 HydrophobicContact CD1-CE3 4.29Å; F9-W13 AromaticContact CE1-CE3 3.57Å; F9-W13 HydrophobicContact CE1-CE3 3.57Å; F9-W13 AromaticContact CE1-CZ3 3.78Å; F9-W13 HydrophobicContact CE1-CZ3 3.78Å; F9-W13 HydrophobicContact CZ-CE3 4.22Å; F9-W13 HydrophobicContact CZ-CZ3 4.36Å; F9-W13 PolarHBondContact O-N 2.91Å; L10-W13 PolarHBondContact O-N 3.46Å; L11-W13 VanDerWaalsContact C-N 3.32Å; W13-G15 VanDerWaalsContact C-N 3.25Å; W13-G15 PolarHBondContact O-N 3.29Å; W13-G16 WeakPolarHBondContact O-CA 3.18Å; W13-G16 PolarHBondContact O-N 3.06Å; W13-D17 VanDerWaalsContact CD1-OD1 3.22Å; W13-D17 PolarHBondContact NE1-OD1 3.47Å; W13-D17 PolarHBondContact O-N 3.27Å
14I76.8Confident70.5Confident30 Ų3048.7 Ų48.715%0.15428%0.276CS..Hα-helixtrans-64.5-33.3179.3-168.9159.4000112L10 L11 S18 D44 L45 L48L10-I14 PolarHBondContact O-N 3.45Å; L10-I14 VanDerWaalsContact O-N 3.1Å; L11-I14 VanDerWaalsContact O-CG2 3.25Å; L11-I14 WeakPolarHBondContact O-CG2 3.26Å; I14-S18 WeakPolarHBondContact O-CB 3.32Å; I14-S18 PolarHBondContact O-N 3.26Å; I14-S18 PolarHBondContact O-OG 2.86Å; I14-D44 WeakPolarHBondContact CA-OD2 3.34Å; I14-D44 HydrophobicContact CB-CB 4.14Å; I14-D44 HydrophobicContact CD1-CB 4.31Å; I14-D44 HydrophobicContact CG1-CB 4.23Å; I14-D44 PolarHBondContact N-OD2 3.02Å; I14-L45 HydrophobicContact CD1-CD2 3.71Å; I14-L45 HydrophobicContact CD1-CG 4.15Å; I14-L48 HydrophobicContact CD1-CD2 4.39Å
15G75.1Confident71.7Confident30 Ų3050.3 Ų50.331%0.30927%0.268SS..Hα-helixtrans-65-45.2173.300000112.1L11 W13 C19L11-G15 PolarHBondContact O-N 2.91Å; L11-G15 VanDerWaalsContact O-N 3.12Å; W13-G15 VanDerWaalsContact C-N 3.25Å; W13-G15 PolarHBondContact O-N 3.29Å; G15-C19 WeakPolarHBondContact O-CB 3.22Å; G15-C19 PolarHBondContact O-N 3.42Å; G15-C19 PolarHBondContact O-SG 3.46Å
16G77.6Confident72.2Confident1 Ų149.2 Ų49.21%0.0126%0.262CS..Hα-helixtrans-60.7-51.8173.800000112G12 W13 S18 C19 N20 S126G12-G16 PolarHBondContact O-N 2.83Å; W13-G16 WeakPolarHBondContact O-CA 3.18Å; W13-G16 PolarHBondContact O-N 3.06Å; G16-S18 VanDerWaalsContact C-N 3.31Å; G16-S18 PolarHBondContact O-N 2.91Å; G16-C19 PolarHBondContact O-N 2.86Å; G16-N20 WeakPolarHBondContact O-CB 3.49Å; G16-N20 PolarHBondContact O-N 3.16Å; G16-S126 PolarHBondContact O-OG 3.32Å
17D79.9Confident72.2Confident2 Ų246 Ų461%0.01124%0.24CC..Hα-helixtrans-61.9-39.4-178.4-70.11.6000111.7W13 N20 L21 Y40 V41 D44 Y130W13-D17 VanDerWaalsContact CD1-OD1 3.22Å; W13-D17 PolarHBondContact NE1-OD1 3.47Å; W13-D17 PolarHBondContact O-N 3.27Å; D17-N20 PolarHBondContact O-N 2.93Å; D17-L21 WeakPolarHBondContact O-CB 3.39Å; D17-L21 PolarHBondContact O-N 3.28Å; D17-Y40 WeakPolarHBondContact OD2-CB 3.24Å; D17-V41 HydrophobicContact CB-CG2 3.82Å; D17-V41 WeakPolarHBondContact O-CG2 3.3Å; D17-D44 VanDerWaalsContact OD2-CG 3.27Å; D17-Y130 VanDerWaalsContact CA-OH 3.32Å; D17-Y130 WeakPolarHBondContact CA-OH 3.48Å; D17-Y130 PolarHBondContact N-OH 3.47Å; D17-Y130 WeakPolarHBondContact OD1-CE1 3.44Å; D17-Y130 VanDerWaalsContact OD1-CZ 3.3Å; D17-Y130 PolarHBondContact OD1-OH 2.72Å
18S77.1Confident72.2Confident42 Ų4250.4 Ų50.429%0.29426%0.263SS..Hα-helixtrans-65.6-45.2175.6-600000111.8I14 G16 N20 L21 I22I14-S18 WeakPolarHBondContact O-CB 3.32Å; I14-S18 PolarHBondContact O-N 3.26Å; I14-S18 PolarHBondContact O-OG 2.86Å; G16-S18 VanDerWaalsContact C-N 3.31Å; G16-S18 PolarHBondContact O-N 2.91Å; S18-N20 VanDerWaalsContact C-N 3.32Å; S18-N20 PolarHBondContact O-N 3.31Å; S18-L21 PolarHBondContact O-N 3.44Å; S18-I22 WeakPolarHBondContact O-CB 3.33Å; S18-I22 WeakPolarHBondContact O-CD1 3.31Å; S18-I22 VanDerWaalsContact O-CG1 3.23Å; S18-I22 WeakPolarHBondContact O-CG1 3.4Å; S18-I22 PolarHBondContact O-N 2.96Å
19C76.6Confident72.3Confident40 Ų4041.2 Ų41.227%0.2723%0.229SC..Hα-helixtrans-62-41.2174.5-74.20000111.4G15 G16 L21 I22 G23 I122G15-C19 WeakPolarHBondContact O-CB 3.22Å; G15-C19 PolarHBondContact O-N 3.42Å; G15-C19 PolarHBondContact O-SG 3.46Å; G16-C19 PolarHBondContact O-N 2.86Å; C19-L21 PolarHBondContact O-N 3.29Å; C19-I22 PolarHBondContact O-N 3.04Å; C19-G23 PolarHBondContact O-N 3.42Å; C19-I122 HydrophobicContact CB-CG2 3.98Å; C19-I122 VanDerWaalsContact O-CG2 3.26Å; C19-I122 WeakPolarHBondContact O-CG2 3.41Å
20N77.7Confident72.4Confident20 Ų2040.1 Ų40.111%0.10723%0.225CC..Hα-helixtrans-63.6-40.9177.8-169.330.1000112G16 D17 S18 S24 Y130 W190G16-N20 WeakPolarHBondContact O-CB 3.49Å; G16-N20 PolarHBondContact O-N 3.16Å; D17-N20 PolarHBondContact O-N 2.93Å; S18-N20 VanDerWaalsContact C-N 3.32Å; S18-N20 PolarHBondContact O-N 3.31Å; N20-S24 WeakPolarHBondContact O-CB 3.39Å; N20-S24 PolarHBondContact O-N 2.92Å; N20-S24 PolarHBondContact O-OG 3.45Å; N20-Y130 HydrophobicContact CB-CE2 4.45Å; N20-W190 PolarHBondContact OD1-NE1 3.09Å
21L77Confident72.3Confident29 Ų2943.9 Ų43.915%0.15225%0.25CS..Hα-helixtrans-66.1-46.5176-177.660000112.2D17 S18 C19 G23 S24 F25 A37 V38 V41D17-L21 WeakPolarHBondContact O-CB 3.39Å; D17-L21 PolarHBondContact O-N 3.28Å; S18-L21 PolarHBondContact O-N 3.44Å; C19-L21 PolarHBondContact O-N 3.29Å; L21-G23 VanDerWaalsContact C-N 3.32Å; L21-G23 PolarHBondContact O-N 3.09Å; L21-S24 PolarHBondContact O-N 2.86Å; L21-S24 PolarHBondContact O-OG 3.47Å; L21-F25 HydrophobicContact CD1-CD2 3.63Å; L21-F25 HydrophobicContact CD1-CE2 3.39Å; L21-F25 HydrophobicContact CD1-CZ 4.44Å; L21-F25 HydrophobicContact CD2-CE2 4.41Å; L21-F25 HydrophobicContact CG-CD2 3.86Å; L21-F25 HydrophobicContact CG-CE2 3.86Å; L21-F25 VanDerWaalsContact O-CD2 3.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.39Å; L21-F25 PolarHBondContact O-N 2.99Å; L21-A37 HydrophobicContact CB-CB 4.13Å; L21-A37 HydrophobicContact CD1-CB 3.74Å; L21-V38 HydrophobicContact CD1-CB 4.44Å; L21-V38 HydrophobicContact CD1-CG2 3.55Å; L21-V38 HydrophobicContact CD2-CG2 4.37Å; L21-V41 HydrophobicContact CB-CG2 4.14Å; L21-V41 HydrophobicContact CD2-CB 4.42Å; L21-V41 HydrophobicContact CD2-CG2 3.91Å
22I75.7Confident72.1Confident88 Ų8845.1 Ų45.145%0.45126%0.257SS..Hα-helixtrans-63.8-42.1178.1-68.2165.3000110.1S18 C19 L26 I122S18-I22 WeakPolarHBondContact O-CB 3.33Å; S18-I22 WeakPolarHBondContact O-CD1 3.31Å; S18-I22 VanDerWaalsContact O-CG1 3.23Å; S18-I22 WeakPolarHBondContact O-CG1 3.4Å; S18-I22 PolarHBondContact O-N 2.96Å; C19-I22 PolarHBondContact O-N 3.04Å; I22-L26 HydrophobicContact CG2-CD1 3.54Å; I22-L26 HydrophobicContact CG2-CG 4.44Å; I22-L26 WeakPolarHBondContact O-CB 3.49Å; I22-L26 WeakPolarHBondContact O-CD1 3.33Å; I22-L26 VanDerWaalsContact O-CG 3.29Å; I22-L26 WeakPolarHBondContact O-CG 3.24Å; I22-L26 PolarHBondContact O-N 2.82Å; I22-I122 HydrophobicContact CG2-CD1 4.13Å
23G69.4Low71.9Confident0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-64-40.817700000113C19 L21 A27C19-G23 PolarHBondContact O-N 3.42Å; L21-G23 VanDerWaalsContact C-N 3.32Å; L21-G23 PolarHBondContact O-N 3.09Å; G23-A27 VanDerWaalsContact O-CB 3.25Å; G23-A27 WeakPolarHBondContact O-CB 3.28Å; G23-A27 PolarHBondContact O-N 3.26Å; G23-A27 VanDerWaalsContact O-N 3.08Å
24S73.8Confident71.8Confident0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-71.1-37.8179.264.20000112.6N20 L21 Q29N20-S24 WeakPolarHBondContact O-CB 3.39Å; N20-S24 PolarHBondContact O-N 2.92Å; N20-S24 PolarHBondContact O-OG 3.45Å; L21-S24 PolarHBondContact O-N 2.86Å; L21-S24 PolarHBondContact O-OG 3.47Å; S24-Q29 WeakPolarHBondContact O-CB 3.28Å; S24-Q29 PolarHBondContact O-N 3.37Å
25F73.5Confident71.7Confident120 Ų12047.6 Ų47.653%0.52625%0.254SS..Hα-helixtrans-66.6-40.6172.9-87.7-63.2000112.9L21 T34 V38L21-F25 HydrophobicContact CD1-CD2 3.63Å; L21-F25 HydrophobicContact CD1-CE2 3.39Å; L21-F25 HydrophobicContact CD1-CZ 4.44Å; L21-F25 HydrophobicContact CD2-CE2 4.41Å; L21-F25 HydrophobicContact CG-CD2 3.86Å; L21-F25 HydrophobicContact CG-CE2 3.86Å; L21-F25 VanDerWaalsContact O-CD2 3.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.39Å; L21-F25 PolarHBondContact O-N 2.99Å; F25-T34 HydrophobicContact CD1-CG2 3.91Å; F25-T34 HydrophobicContact CD2-CG2 4.27Å; F25-T34 HydrophobicContact CE1-CG2 3.5Å; F25-T34 HydrophobicContact CE2-CG2 3.92Å; F25-T34 HydrophobicContact CG-CG2 4.27Å; F25-T34 HydrophobicContact CZ-CG2 3.5Å; F25-V38 HydrophobicContact CE2-CG2 4.4Å
26L64.8Low71.6Confident59 Ų5948.6 Ų48.631%0.30925%0.254SS..Hα-helixtrans-75.1-24.5-178.4-77165.3000113.8I22 Q115 I118 I122I22-L26 HydrophobicContact CG2-CD1 3.54Å; I22-L26 HydrophobicContact CG2-CG 4.44Å; I22-L26 WeakPolarHBondContact O-CB 3.49Å; I22-L26 WeakPolarHBondContact O-CD1 3.33Å; I22-L26 VanDerWaalsContact O-CG 3.29Å; I22-L26 WeakPolarHBondContact O-CG 3.24Å; I22-L26 PolarHBondContact O-N 2.82Å; L26-Q115 CarbonylContact O-C 3.51Å; L26-I118 HydrophobicContact CD1-CG2 4.22Å; L26-I122 HydrophobicContact CD1-CD1 4Å
27A64.1Low71.3Confident4 Ų448.6 Ų48.63%0.03325%0.254CS..THydrogen-bonded Turntrans-98.914.9-179.500000113.4G23 Q29 W190G23-A27 VanDerWaalsContact O-CB 3.25Å; G23-A27 WeakPolarHBondContact O-CB 3.28Å; G23-A27 PolarHBondContact O-N 3.26Å; G23-A27 VanDerWaalsContact O-N 3.08Å; A27-Q29 HydrophobicContact CB-CG 3.94Å; A27-Q29 PolarHBondContact O-N 2.9Å; A27-Q29 VanDerWaalsContact O-N 3.07Å; A27-W190 HydrophobicContact CB-CH2 3.64Å; A27-W190 HydrophobicContact CB-CZ2 4.48Å; A27-W190 HydrophobicContact CB-CZ3 4.36Å
28D65.1Low71.1Confident139 Ų13951 Ų5174%0.74327%0.268SS*.THydrogen-bonded Turntrans41.846.8-178.1-78.7-40.8000112.8
29Q64.6Low71Confident12 Ų1256.2 Ų56.26%0.05628%0.283CS..  trans-70.8166-175.2-78.1-73.9-33.400112.3S24 A27 H186 H187 W190S24-Q29 WeakPolarHBondContact O-CB 3.28Å; S24-Q29 PolarHBondContact O-N 3.37Å; A27-Q29 HydrophobicContact CB-CG 3.94Å; A27-Q29 PolarHBondContact O-N 2.9Å; A27-Q29 VanDerWaalsContact O-N 3.07Å; Q29-H186 PolarHBondContact NE2-O 3.48Å; Q29-H187 VanDerWaalsContact CD-CE1 3.47Å; Q29-H187 PolarHBondContact NE2-CE1 3.35Å; Q29-H187 PolarHBondContact NE2-ND1 3.35Å; Q29-H187 PolarHBondContact OE1-CE1 3.01Å; Q29-H187 PolarHBondContact OE1-ND1 3.31Å; Q29-W190 HydrophobicContact CG-CE3 4.47Å; Q29-W190 HydrophobicContact CG-CH2 4.02Å; Q29-W190 HydrophobicContact CG-CZ2 4.3Å; Q29-W190 HydrophobicContact CG-CZ3 4.11Å; Q29-W190 VanDerWaalsContact NE2-CZ3 3.35Å
30L67.6Low71.1Confident30 Ų3058 Ų5816%0.15728%0.284CS..  trans-50.7140.5-178.7-75.3104.3000112.1L32 Q33 T34 K172 H187L30-L32 PolarHBondContact O-N 3.12Å; L30-L32 VanDerWaalsContact O-N 3.08Å; L30-Q33 WeakPolarHBondContact O-CB 3.27Å; L30-Q33 PolarHBondContact O-N 3.25Å; L30-T34 PolarHBondContact O-N 3.1Å; L30-K172 HydrophobicContact CD2-CD 3.43Å; L30-K172 VanDerWaalsContact CD2-CD 3.43Å; L30-K172 HydrophobicContact CG-CD 4.35Å; L30-H187 VanDerWaalsContact CD1-CE1 3.43Å; L30-H187 WeakPolarHBondContact CD1-CE1 3.33Å
31P66.7Low71.1Confident84 Ų8458.1 Ų58.155%0.54529%0.286SS..Hα-helixtrans-52.4-38.9179.9-28.734.2000113.8Q33 T34 Y35P31-Q33 VanDerWaalsContact C-N 3.29Å; P31-Q33 PolarHBondContact O-N 3.33Å; P31-T34 PolarHBondContact O-N 3.03Å; P31-Y35 HydrophobicContact CB-CD2 4.37Å; P31-Y35 HydrophobicContact CB-CE2 3.92Å; P31-Y35 WeakPolarHBondContact O-CD2 3.39Å; P31-Y35 VanDerWaalsContact O-CG 3.27Å; P31-Y35 PolarHBondContact O-N 3Å
32L66.8Low71Confident101 Ų10161 Ų6153%0.52930%0.301SS..Hα-helixtrans-60.8-37.1178.1-175.1133.2000112.7L30 T36L30-L32 PolarHBondContact O-N 3.12Å; L30-L32 VanDerWaalsContact O-N 3.08Å; L32-T36 WeakPolarHBondContact O-CB 3.25Å; L32-T36 PolarHBondContact O-N 3.34Å; L32-T36 PolarHBondContact O-OG1 3.3Å
33Q65.9Low71.1Confident10 Ų1058.5 Ų58.55%0.04729%0.293CS..Hα-helixtrans-72-42.6178.9-179.5173.1-25.600111.3L30 P31 T36 A37 Y165 W190L30-Q33 WeakPolarHBondContact O-CB 3.27Å; L30-Q33 PolarHBondContact O-N 3.25Å; P31-Q33 VanDerWaalsContact C-N 3.29Å; P31-Q33 PolarHBondContact O-N 3.33Å; Q33-T36 PolarHBondContact O-N 3.04Å; Q33-A37 WeakPolarHBondContact O-CB 3.38Å; Q33-A37 PolarHBondContact O-N 3.37Å; Q33-Y165 HydrophobicContact CB-CE2 4.24Å; Q33-Y165 VanDerWaalsContact CD-OH 3.32Å; Q33-Y165 HydrophobicContact CG-CE2 4.19Å; Q33-Y165 PolarHBondContact OE1-OH 2.87Å; Q33-W190 VanDerWaalsContact NE2-CD2 3.26Å
34T72.6Confident71.5Confident19 Ų1958.7 Ų58.712%0.11729%0.294CS..Hα-helixtrans-62.3-45.9175.8-52.40000110.8F25 L30 P31 T36 A37 V38F25-T34 HydrophobicContact CD1-CG2 3.91Å; F25-T34 HydrophobicContact CD2-CG2 4.27Å; F25-T34 HydrophobicContact CE1-CG2 3.5Å; F25-T34 HydrophobicContact CE2-CG2 3.92Å; F25-T34 HydrophobicContact CG-CG2 4.27Å; F25-T34 HydrophobicContact CZ-CG2 3.5Å; L30-T34 PolarHBondContact O-N 3.1Å; P31-T34 PolarHBondContact O-N 3.03Å; T34-T36 VanDerWaalsContact C-N 3.33Å; T34-T36 PolarHBondContact O-N 3.45Å; T34-A37 PolarHBondContact O-N 3.26Å; T34-V38 WeakPolarHBondContact O-CG2 3.31Å; T34-V38 PolarHBondContact O-N 3.32Å
35Y74Confident71.7Confident170 Ų17062.4 Ų62.467%0.66731%0.314SS*.Hα-helixtrans-60.9-41.1175.8-66.7-45.5000112.9P31 V38 Y39P31-Y35 HydrophobicContact CB-CD2 4.37Å; P31-Y35 HydrophobicContact CB-CE2 3.92Å; P31-Y35 WeakPolarHBondContact O-CD2 3.39Å; P31-Y35 VanDerWaalsContact O-CG 3.27Å; P31-Y35 PolarHBondContact O-N 3Å; Y35-V38 PolarHBondContact O-N 3.2Å; Y35-Y39 PolarHBondContact O-N 3.02Å
36T72.5Confident72Confident50 Ų5059.9 Ų59.931%0.30731%0.308SS..Hα-helixtrans-66-41.4177.8-55.80000111.4L32 Q33 T34 Y39 Y40L32-T36 WeakPolarHBondContact O-CB 3.25Å; L32-T36 PolarHBondContact O-N 3.34Å; L32-T36 PolarHBondContact O-OG1 3.3Å; Q33-T36 PolarHBondContact O-N 3.04Å; T34-T36 VanDerWaalsContact C-N 3.33Å; T34-T36 PolarHBondContact O-N 3.45Å; T36-Y39 WeakPolarHBondContact O-CB 3.34Å; T36-Y39 PolarHBondContact O-N 2.72Å; T36-Y40 HydrophobicContact CG2-CD2 4Å; T36-Y40 HydrophobicContact CG2-CE2 3.44Å; T36-Y40 VanDerWaalsContact CG2-CE2 3.44Å; T36-Y40 WeakPolarHBondContact O-CD2 3.34Å; T36-Y40 PolarHBondContact O-N 3.27Å
37A71.4Confident72.4Confident1 Ų160 Ų601%0.00831%0.308CS..Hα-helixtrans-64.7-40.1176.500000112.2L21 Q33 T34 Y39 Y40 V41L21-A37 HydrophobicContact CB-CB 4.13Å; L21-A37 HydrophobicContact CD1-CB 3.74Å; Q33-A37 WeakPolarHBondContact O-CB 3.38Å; Q33-A37 PolarHBondContact O-N 3.37Å; T34-A37 PolarHBondContact O-N 3.26Å; A37-Y39 VanDerWaalsContact C-N 3.34Å; A37-Y39 PolarHBondContact O-N 2.92Å; A37-Y40 PolarHBondContact O-N 3.29Å; A37-V41 WeakPolarHBondContact O-CG2 3.48Å; A37-V41 PolarHBondContact O-N 3.24Å; A37-V41 VanDerWaalsContact O-N 3.14Å
38V75.2Confident72.9Confident52 Ų5261.2 Ų61.232%0.31531%0.314SS..Hα-helixtrans-60.3-45.9173.3172.50000110.6L21 F25 T34 Y35 Y40 V41 L42L21-V38 HydrophobicContact CD1-CB 4.44Å; L21-V38 HydrophobicContact CD1-CG2 3.55Å; L21-V38 HydrophobicContact CD2-CG2 4.37Å; F25-V38 HydrophobicContact CE2-CG2 4.4Å; T34-V38 WeakPolarHBondContact O-CG2 3.31Å; T34-V38 PolarHBondContact O-N 3.32Å; Y35-V38 PolarHBondContact O-N 3.2Å; V38-Y40 VanDerWaalsContact C-N 3.33Å; V38-Y40 PolarHBondContact O-N 3.36Å; V38-V41 PolarHBondContact O-N 3.23Å; V38-L42 HydrophobicContact CG1-CD1 4.03Å; V38-L42 HydrophobicContact CG1-CG 4.46Å; V38-L42 WeakPolarHBondContact O-CG 3.41Å; V38-L42 PolarHBondContact O-N 3.46Å; V38-L42 VanDerWaalsContact O-N 3.07Å
39Y76.8Confident73.5Confident152 Ų15259 Ų5960%0.59631%0.305SS*.Hα-helixtrans-57.7-44.6177.9169.2-95.7000112.1Y35 T36 A37 L42 A43Y35-Y39 PolarHBondContact O-N 3.02Å; T36-Y39 WeakPolarHBondContact O-CB 3.34Å; T36-Y39 PolarHBondContact O-N 2.72Å; A37-Y39 VanDerWaalsContact C-N 3.34Å; A37-Y39 PolarHBondContact O-N 2.92Å; Y39-L42 PolarHBondContact O-N 2.9Å; Y39-A43 WeakPolarHBondContact O-CB 3.43Å; Y39-A43 PolarHBondContact O-N 3.49Å
40Y78.6Confident73.9Confident78 Ų7861.7 Ų61.731%0.30632%0.32SS..Hα-helixtrans-64-45.6179.8-70.1-36.8000112.8D17 T36 A37 V38 L42 A43 D44D17-Y40 WeakPolarHBondContact OD2-CB 3.24Å; T36-Y40 HydrophobicContact CG2-CD2 4Å; T36-Y40 HydrophobicContact CG2-CE2 3.44Å; T36-Y40 VanDerWaalsContact CG2-CE2 3.44Å; T36-Y40 WeakPolarHBondContact O-CD2 3.34Å; T36-Y40 PolarHBondContact O-N 3.27Å; A37-Y40 PolarHBondContact O-N 3.29Å; V38-Y40 VanDerWaalsContact C-N 3.33Å; V38-Y40 PolarHBondContact O-N 3.36Å; Y40-L42 VanDerWaalsContact C-N 3.3Å; Y40-L42 PolarHBondContact O-N 2.97Å; Y40-A43 PolarHBondContact O-N 2.91Å; Y40-A43 VanDerWaalsContact O-N 3.14Å; Y40-D44 PolarHBondContact O-N 3.47Å
41V77.4Confident74.1Confident22 Ų2263.3 Ų63.313%0.13332%0.324CS..Hα-helixtrans-58.3-41.9174.81730000111.8D17 L21 A37 V38 D44 L45D17-V41 HydrophobicContact CB-CG2 3.82Å; D17-V41 WeakPolarHBondContact O-CG2 3.3Å; L21-V41 HydrophobicContact CB-CG2 4.14Å; L21-V41 HydrophobicContact CD2-CB 4.42Å; L21-V41 HydrophobicContact CD2-CG2 3.91Å; A37-V41 WeakPolarHBondContact O-CG2 3.48Å; A37-V41 PolarHBondContact O-N 3.24Å; A37-V41 VanDerWaalsContact O-N 3.14Å; V38-V41 PolarHBondContact O-N 3.23Å; V41-D44 PolarHBondContact O-N 3.49Å; V41-L45 HydrophobicContact CG1-CD1 4.29Å; V41-L45 WeakPolarHBondContact O-CG 3.28Å; V41-L45 PolarHBondContact O-N 3.43Å
42L75.6Confident74.4Confident90 Ų9063.2 Ų63.247%0.47132%0.315SS..Hα-helixtrans-66.1-42.5177.1-69.7175.2000112.2V38 Y39 Y40 D44 L45 V46V38-L42 HydrophobicContact CG1-CD1 4.03Å; V38-L42 HydrophobicContact CG1-CG 4.46Å; V38-L42 WeakPolarHBondContact O-CG 3.41Å; V38-L42 PolarHBondContact O-N 3.46Å; V38-L42 VanDerWaalsContact O-N 3.07Å; Y39-L42 PolarHBondContact O-N 2.9Å; Y40-L42 VanDerWaalsContact C-N 3.3Å; Y40-L42 PolarHBondContact O-N 2.97Å; L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 3.35Å; L42-L45 PolarHBondContact O-N 2.95Å; L42-V46 WeakPolarHBondContact O-CG2 3.37Å; L42-V46 PolarHBondContact O-N 2.85Å
43A75.8Confident74.7Confident35 Ų3561.6 Ų61.629%0.28930%0.303SS..Hα-helixtrans-61-41.2176.900000111.5Y39 Y40 V46 M47Y39-A43 WeakPolarHBondContact O-CB 3.43Å; Y39-A43 PolarHBondContact O-N 3.49Å; Y40-A43 PolarHBondContact O-N 2.91Å; Y40-A43 VanDerWaalsContact O-N 3.14Å; A43-V46 PolarHBondContact O-N 3.38Å; A43-M47 WeakPolarHBondContact O-CB 3.45Å; A43-M47 PolarHBondContact O-N 3.42Å
44D78.7Confident74.8Confident4 Ų468.1 Ų68.12%0.02133%0.328CS..Hα-helixtrans-66-41176.6-87.37.1000112.7I14 D17 Y40 V41 L42 V46 M47 L48I14-D44 WeakPolarHBondContact CA-OD2 3.34Å; I14-D44 HydrophobicContact CB-CB 4.14Å; I14-D44 HydrophobicContact CD1-CB 4.31Å; I14-D44 HydrophobicContact CG1-CB 4.23Å; I14-D44 PolarHBondContact N-OD2 3.02Å; D17-D44 VanDerWaalsContact OD2-CG 3.27Å; Y40-D44 PolarHBondContact O-N 3.47Å; V41-D44 PolarHBondContact O-N 3.49Å; L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 3.35Å; D44-V46 VanDerWaalsContact C-N 3.35Å; D44-V46 PolarHBondContact O-N 2.86Å; D44-M47 PolarHBondContact O-N 3.49Å; D44-L48 VanDerWaalsContact O-CB 3.27Å; D44-L48 WeakPolarHBondContact O-CB 3.23Å; D44-L48 PolarHBondContact O-N 2.97Å
45L78.4Confident74.6Confident79 Ų7972.4 Ų72.441%0.41435%0.345SS..Hα-helixtrans-62.3-41.3174-73.5172.4000112.1I14 V41 L42 T49I14-L45 HydrophobicContact CD1-CD2 3.71Å; I14-L45 HydrophobicContact CD1-CG 4.15Å; V41-L45 HydrophobicContact CG1-CD1 4.29Å; V41-L45 WeakPolarHBondContact O-CG 3.28Å; V41-L45 PolarHBondContact O-N 3.43Å; L42-L45 PolarHBondContact O-N 2.95Å; L45-T49 VanDerWaalsContact O-CB 3.32Å; L45-T49 WeakPolarHBondContact O-CB 3.5Å; L45-T49 PolarHBondContact O-N 3.07Å; L45-T49 PolarHBondContact O-OG1 3.31Å
46V79.5Confident74.4Confident66 Ų6672 Ų7240%0.435%0.347SS..Hα-helixtrans-63.2-46.4174.4170.60000110.2L42 A43 D44 L48 T49 L50 L72L42-V46 WeakPolarHBondContact O-CG2 3.37Å; L42-V46 PolarHBondContact O-N 2.85Å; A43-V46 PolarHBondContact O-N 3.38Å; D44-V46 VanDerWaalsContact C-N 3.35Å; D44-V46 PolarHBondContact O-N 2.86Å; V46-L48 VanDerWaalsContact C-N 3.35Å; V46-L48 PolarHBondContact O-N 2.95Å; V46-T49 PolarHBondContact O-N 3.32Å; V46-L50 HydrophobicContact CG1-CD1 3.95Å; V46-L50 HydrophobicContact CG1-CG 4.41Å; V46-L50 WeakPolarHBondContact O-CB 3.48Å; V46-L50 WeakPolarHBondContact O-CG 3.31Å; V46-L50 PolarHBondContact O-N 3.45Å; V46-L72 HydrophobicContact CG1-CD1 4.14Å
47M74.1Confident73.8Confident62 Ų6276.3 Ų76.331%0.30536%0.357SS..Hα-helixtrans-62.8-41.3179.9-163.9-178.2-22.800112L5 L10 A43 D44 L50 Y51L5-M47 HydrophobicContact CD2-SD 4Å; L10-M47 HydrophobicContact CD1-CB 4.2Å; L10-M47 HydrophobicContact CD1-CE 4.2Å; L10-M47 HydrophobicContact CD1-CG 3.9Å; L10-M47 HydrophobicContact CD1-SD 3.5Å; L10-M47 VanDerWaalsContact CD1-SD 3.5Å; A43-M47 WeakPolarHBondContact O-CB 3.45Å; A43-M47 PolarHBondContact O-N 3.42Å; D44-M47 PolarHBondContact O-N 3.49Å; M47-L50 PolarHBondContact O-N 3.45Å; M47-Y51 WeakPolarHBondContact O-CB 3.2Å; M47-Y51 PolarHBondContact O-N 2.93Å
48L74.4Confident72.9Confident30 Ų3082.1 Ų82.116%0.15739%0.393CS..Hα-helixtrans-65.6-42175.4-170.269.1000111.7L10 I14 D44 V46 Y51 F52L10-L48 HydrophobicContact CD2-CB 4.32Å; L10-L48 HydrophobicContact CD2-CD1 3.65Å; L10-L48 HydrophobicContact CG-CD1 4.18Å; I14-L48 HydrophobicContact CD1-CD2 4.39Å; D44-L48 VanDerWaalsContact O-CB 3.27Å; D44-L48 WeakPolarHBondContact O-CB 3.23Å; D44-L48 PolarHBondContact O-N 2.97Å; V46-L48 VanDerWaalsContact C-N 3.35Å; V46-L48 PolarHBondContact O-N 2.95Å; L48-Y51 PolarHBondContact O-N 3.48Å; L48-F52 HydrophobicContact CD1-CD2 4.07Å; L48-F52 HydrophobicContact CD1-CE2 3.53Å; L48-F52 HydrophobicContact CD1-CZ 4.32Å; L48-F52 HydrophobicContact CD2-CE2 4.13Å; L48-F52 HydrophobicContact CG-CD2 3.83Å; L48-F52 HydrophobicContact CG-CE2 3.6Å; L48-F52 VanDerWaalsContact O-CD2 3.24Å; L48-F52 WeakPolarHBondContact O-CD2 3.46Å; L48-F52 PolarHBondContact O-N 2.92Å
49T76.3Confident71.6Confident93 Ų9390 Ų9057%0.57142%0.417SS*.Hα-helixtrans-62.7-45175.8-58.30000110.9L45 V46 F52 Y53L45-T49 VanDerWaalsContact O-CB 3.32Å; L45-T49 WeakPolarHBondContact O-CB 3.5Å; L45-T49 PolarHBondContact O-N 3.07Å; L45-T49 PolarHBondContact O-OG1 3.31Å; V46-T49 PolarHBondContact O-N 3.32Å; T49-F52 PolarHBondContact O-N 3.14Å; T49-Y53 WeakPolarHBondContact O-CB 3.41Å; T49-Y53 PolarHBondContact O-N 3.14Å
50L73.3Confident70.3Confident68 Ų6889 Ų8936%0.35643%0.429SS..Hα-helixtrans-62.3-44.8174.9-71.9170.5000111.1V46 M47 F52 Y53 Y54V46-L50 HydrophobicContact CG1-CD1 3.95Å; V46-L50 HydrophobicContact CG1-CG 4.41Å; V46-L50 WeakPolarHBondContact O-CB 3.48Å; V46-L50 WeakPolarHBondContact O-CG 3.31Å; V46-L50 PolarHBondContact O-N 3.45Å; M47-L50 PolarHBondContact O-N 3.45Å; L50-F52 PolarHBondContact O-N 2.67Å; L50-Y53 PolarHBondContact O-N 2.96Å; L50-Y54 HydrophobicContact CD2-CE2 4.28Å; L50-Y54 WeakPolarHBondContact O-CD2 3.15Å; L50-Y54 PolarHBondContact O-N 3.19Å
51Y71.3Confident68.9Low64 Ų6488 Ų8825%0.25143%0.434SS..Hα-helixtrans-57.2-51.5177.2175.7-92.4000111.6L7 L10 M47 L48 Y54 K55L7-Y51 HydrophobicContact CD1-CD1 4.15Å; L7-Y51 HydrophobicContact CD1-CE1 3.68Å; L10-Y51 HydrophobicContact CD2-CG 4.38Å; M47-Y51 WeakPolarHBondContact O-CB 3.2Å; M47-Y51 PolarHBondContact O-N 2.93Å; L48-Y51 PolarHBondContact O-N 3.48Å; Y51-Y54 PolarHBondContact O-N 3.03Å; Y51-K55 HydrophobicContact CD1-CD 4.47Å; Y51-K55 HydrophobicContact CE1-CD 3.56Å; Y51-K55 WeakPolarHBondContact O-CB 3.32Å; Y51-K55 PolarHBondContact O-N 3.35Å; Y51-K55 PolarHBondContact OH-NZ 2.82Å
52F74.9Confident67.8Low81 Ų8195.2 Ų95.236%0.35547%0.471SS..Hα-helixtrans-65.8-39.8178.2-76.6-58.2000112.1L48 T49 L50 Y54 K55 F56L48-F52 HydrophobicContact CD1-CD2 4.07Å; L48-F52 HydrophobicContact CD1-CE2 3.53Å; L48-F52 HydrophobicContact CD1-CZ 4.32Å; L48-F52 HydrophobicContact CD2-CE2 4.13Å; L48-F52 HydrophobicContact CG-CD2 3.83Å; L48-F52 HydrophobicContact CG-CE2 3.6Å; L48-F52 VanDerWaalsContact O-CD2 3.24Å; L48-F52 WeakPolarHBondContact O-CD2 3.46Å; L48-F52 PolarHBondContact O-N 2.92Å; T49-F52 PolarHBondContact O-N 3.14Å; L50-F52 PolarHBondContact O-N 2.67Å; F52-Y54 PolarHBondContact O-N 2.93Å; F52-K55 PolarHBondContact O-N 3.29Å; F52-F56 HydrophobicContact CB-CD2 4.14Å; F52-F56 HydrophobicContact CB-CE2 4.42Å; F52-F56 HydrophobicContact CD1-CD2 4.05Å; F52-F56 AromaticContact CD1-CE2 3.57Å; F52-F56 HydrophobicContact CD1-CE2 3.57Å; F52-F56 HydrophobicContact CE1-CE2 4.24Å; F52-F56 HydrophobicContact CG-CE2 4.37Å; F52-F56 WeakPolarHBondContact O-CB 3.32Å; F52-F56 VanDerWaalsContact O-CD2 3.26Å; F52-F56 WeakPolarHBondContact O-CD2 3.48Å; F52-F56 PolarHBondContact O-N 2.94Å
53Y71.3Confident66.7Low68 Ų6897.5 Ų97.527%0.26748%0.483SS..Hα-helixtrans-57.8-48.8176.2176.8-93.7000111.9T49 L50 R57T49-Y53 WeakPolarHBondContact O-CB 3.41Å; T49-Y53 PolarHBondContact O-N 3.14Å; L50-Y53 PolarHBondContact O-N 2.96Å; Y53-R57 WeakPolarHBondContact O-CA 3.44Å; Y53-R57 WeakPolarHBondContact O-CB 3.32Å; Y53-R57 PolarHBondContact O-N 3.27Å; Y53-R57 PolarHBondContact OH-NH1 3.05Å
54Y69.1Low65.6Low147 Ų14797.3 Ų97.358%0.57648%0.479SS*.Hα-helixtrans-72.1-31.9178-79.7-76.5000113L50 Y51 F52L50-Y54 HydrophobicContact CD2-CE2 4.28Å; L50-Y54 WeakPolarHBondContact O-CD2 3.15Å; L50-Y54 PolarHBondContact O-N 3.19Å; Y51-Y54 PolarHBondContact O-N 3.03Å; F52-Y54 PolarHBondContact O-N 2.93Å
55K68.8Low64.4Low108 Ų108100.3 Ų100.347%0.4751%0.505SS..Hα-helixtrans-71.3-38.5177.5-173.8171.3-173.9173.50112.8Y51 F52Y51-K55 HydrophobicContact CD1-CD 4.47Å; Y51-K55 HydrophobicContact CE1-CD 3.56Å; Y51-K55 WeakPolarHBondContact O-CB 3.32Å; Y51-K55 PolarHBondContact O-N 3.35Å; Y51-K55 PolarHBondContact OH-NZ 2.82Å; F52-K55 PolarHBondContact O-N 3.29Å
56F68.3Low63.2Low163 Ų163100 Ų10072%0.71551%0.507SS*.Hα-helixtrans-89.7-25.2-179.8-76.4-72.6000113.3F52 T58F52-F56 HydrophobicContact CB-CD2 4.14Å; F52-F56 HydrophobicContact CB-CE2 4.42Å; F52-F56 HydrophobicContact CD1-CD2 4.05Å; F52-F56 AromaticContact CD1-CE2 3.57Å; F52-F56 HydrophobicContact CD1-CE2 3.57Å; F52-F56 HydrophobicContact CE1-CE2 4.24Å; F52-F56 HydrophobicContact CG-CE2 4.37Å; F52-F56 WeakPolarHBondContact O-CB 3.32Å; F52-F56 VanDerWaalsContact O-CD2 3.26Å; F52-F56 WeakPolarHBondContact O-CD2 3.48Å; F52-F56 PolarHBondContact O-N 2.94Å; F56-T58 PolarHBondContact O-N 3.42Å
57R60.5Low62.1Low139 Ų139102.1 Ų102.153%0.52552%0.515SS..  trans-100.865.7-178.1-149.3177.1-166.4174.97.1111.8Y53 R59Y53-R57 WeakPolarHBondContact O-CA 3.44Å; Y53-R57 WeakPolarHBondContact O-CB 3.32Å; Y53-R57 PolarHBondContact O-N 3.27Å; Y53-R57 PolarHBondContact OH-NH1 3.05Å; R57-R59 PolarHBondContact O-N 2.44Å
58T53.8Low61.4Low124 Ų124101.9 Ų101.976%0.76152%0.515SS*.  trans-75.359.7169.5-29.10000111.7F56F56-T58 PolarHBondContact O-N 3.42Å
59R47.1Very low60.6Low216 Ų216104.2 Ų104.282%0.81553%0.534SS*.SBendtrans-147.7116.8162.8-70.2-73.6179144.8-2.7107.2R57 S61R57-R59 PolarHBondContact O-N 2.44Å; R59-S61 PolarHBondContact O-N 3.47Å
60P49.7Very low59.8Low131 Ų131103.8 Ų103.885%0.85153%0.531SS*.  trans-78.5118.6-175.531.6-30.3000109.3
61S49.5Very low59.2Low59 Ų59105.4 Ų105.441%0.41354%0.539SS..  trans-103.8109.9160.451.90000109.2R59 L63 S64R59-S61 PolarHBondContact O-N 3.47Å; S61-L63 PolarHBondContact O-N 2.9Å; S61-S64 PolarHBondContact O-N 3.39Å; S61-S64 PolarHBondContact OG-OG 3.18Å
62L53.4Low58.7Low173 Ų173107.5 Ų107.591%0.90655%0.554SS**THydrogen-bonded Turntrans-55.9-19.1-179.9-111.7121.5000114
63L53Low58Low138 Ų138110.6 Ų110.672%0.72357%0.568SS**THydrogen-bonded Turntrans-85.9-9.4179-85.9144.5000114.6S61 P66 I67S61-L63 PolarHBondContact O-N 2.9Å; L63-P66 WeakPolarHBondContact O-CD 3.34Å; L63-I67 WeakPolarHBondContact O-CD1 3.44Å
64S52.3Low57.4Low31 Ų31112.4 Ų112.422%0.21758%0.582CS.*Hα-helixtrans-86.2-18.4-176.4-58.50000114.4S61 N68S61-S64 PolarHBondContact O-N 3.39Å; S61-S64 PolarHBondContact OG-OG 3.18Å; S64-N68 PolarHBondContact O-N 2.67Å
65A54.2Low56.8Low67 Ų67111 Ų11155%0.55458%0.582SS**Hα-helixtrans-65.3-45.9178.700000114S69A65-S69 PolarHBondContact O-N 3.41Å
66P51.8Low56.2Low72 Ų72108.2 Ų108.247%0.46858%0.583SS.*Hα-helixtrans-74.2-33.4179.927.8-33.9000112.6L63 S69 V70L63-P66 WeakPolarHBondContact O-CD 3.34Å; P66-S69 PolarHBondContact O-N 3.24Å; P66-V70 VanDerWaalsContact O-CG2 3.28Å; P66-V70 WeakPolarHBondContact O-CG2 3.39Å; P66-V70 PolarHBondContact O-N 3.1Å
67I57.6Low55.6Low111 Ų111105.7 Ų105.757%0.56958%0.575SS**Hα-helixtrans-68.1-40.5-178.1-62172.2000111L63 L71L63-I67 WeakPolarHBondContact O-CD1 3.44Å; I67-L71 WeakPolarHBondContact O-CB 3.33Å; I67-L71 PolarHBondContact O-N 3.5Å
68N58.1Low55.2Low57 Ų57101.3 Ų101.331%0.30557%0.569SS.*Hα-helixtrans-72.3-32.8178.1-74.6-4.4000112.8S64 L72S64-N68 PolarHBondContact O-N 2.67Å; N68-L72 VanDerWaalsContact O-CB 3.28Å; N68-L72 WeakPolarHBondContact O-CB 3.49Å; N68-L72 PolarHBondContact O-N 3.05Å
69S59Low55.2Low78 Ų7899.9 Ų99.955%0.54556%0.563SS.*Hα-helixtrans-70.6-38.9175.9-178.60000111.9A65 P66 L72 F73A65-S69 PolarHBondContact O-N 3.41Å; P66-S69 PolarHBondContact O-N 3.24Å; S69-L72 PolarHBondContact O-N 3.39Å; S69-F73 VanDerWaalsContact O-CB 3.31Å; S69-F73 WeakPolarHBondContact O-CB 3.2Å; S69-F73 PolarHBondContact O-N 3.38Å
70V58.8Low55.2Low84 Ų8491.8 Ų91.851%0.50954%0.542SS..Hα-helixtrans-69.1-38.4174.8172.80000111.3P66 F73 L74P66-V70 VanDerWaalsContact O-CG2 3.28Å; P66-V70 WeakPolarHBondContact O-CG2 3.39Å; P66-V70 PolarHBondContact O-N 3.1Å; V70-F73 PolarHBondContact O-N 3.46Å; V70-L74 HydrophobicContact CG1-CD1 3.77Å; V70-L74 HydrophobicContact CG1-CG 4.29Å; V70-L74 WeakPolarHBondContact O-CB 3.49Å; V70-L74 VanDerWaalsContact O-CG 3.23Å; V70-L74 WeakPolarHBondContact O-CG 3.27Å; V70-L74 PolarHBondContact O-N 3.01Å
71L60.5Low55.5Low102 Ų10289.9 Ų89.953%0.53453%0.528SS..Hα-helixtrans-66.5-41174.6-167.575.2000112.1I67 F73 L74 M75I67-L71 WeakPolarHBondContact O-CB 3.33Å; I67-L71 PolarHBondContact O-N 3.5Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 2.89Å; L71-L74 PolarHBondContact O-N 3.43Å; L71-M75 VanDerWaalsContact O-CB 3.28Å; L71-M75 WeakPolarHBondContact O-CB 3.43Å; L71-M75 PolarHBondContact O-N 3.44Å
72L61Low55.6Low108 Ų10891.4 Ų91.457%0.56554%0.537SS*.Hα-helixtrans-65.2-36.6175.6-167.271.5000111.6V46 N68 S69 G76V46-L72 HydrophobicContact CG1-CD1 4.14Å; N68-L72 VanDerWaalsContact O-CB 3.28Å; N68-L72 WeakPolarHBondContact O-CB 3.49Å; N68-L72 PolarHBondContact O-N 3.05Å; S69-L72 PolarHBondContact O-N 3.39Å; L72-G76 PolarHBondContact O-N 3.28Å
73F60.4Low55.4Low147 Ų14790.8 Ų90.865%0.64553%0.534SS*.Hα-helixtrans-70.9-42.4175.4-170.3-99.5000112.4S69 V70 L71 G76 M77S69-F73 VanDerWaalsContact O-CB 3.31Å; S69-F73 WeakPolarHBondContact O-CB 3.2Å; S69-F73 PolarHBondContact O-N 3.38Å; V70-F73 PolarHBondContact O-N 3.46Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 2.89Å; F73-G76 PolarHBondContact O-N 3Å; F73-M77 HydrophobicContact CE1-CG 4.4Å; F73-M77 WeakPolarHBondContact O-CG 2.98Å; F73-M77 PolarHBondContact O-N 3.3Å
74L57.6Low55.1Low106 Ų10691.4 Ų91.456%0.55554%0.537SS*.Hα-helixtrans-68.3-36.6176.4-73170.2000112.2V70 L71 M77 A78V70-L74 HydrophobicContact CG1-CD1 3.77Å; V70-L74 HydrophobicContact CG1-CG 4.29Å; V70-L74 WeakPolarHBondContact O-CB 3.49Å; V70-L74 VanDerWaalsContact O-CG 3.23Å; V70-L74 WeakPolarHBondContact O-CG 3.27Å; V70-L74 PolarHBondContact O-N 3.01Å; L71-L74 PolarHBondContact O-N 3.43Å; L74-M77 PolarHBondContact O-N 3.3Å; L74-A78 WeakPolarHBondContact O-CB 3.45Å; L74-A78 PolarHBondContact O-N 3.25Å
75M56.5Low54.8Low118 Ų11894.8 Ų94.858%0.58156%0.561SS**Hα-helixtrans-74.8-33.7176.4-149.965.794.300111.9L71 M77 A78 C79L71-M75 VanDerWaalsContact O-CB 3.28Å; L71-M75 WeakPolarHBondContact O-CB 3.43Å; L71-M75 PolarHBondContact O-N 3.44Å; M75-M77 VanDerWaalsContact C-N 3.35Å; M75-A78 PolarHBondContact O-N 3.14Å; M75-C79 PolarHBondContact O-N 3.43Å
76G56.6Low54.5Low48 Ų4895.4 Ų95.450%0.49557%0.565SS.*Hα-helixtrans-62.9-38169.500000112.9L72 F73L72-G76 PolarHBondContact O-N 3.28Å; F73-G76 PolarHBondContact O-N 3Å
77M55.2Low54Low110 Ų11096.5 Ų96.554%0.54258%0.581SS.*Hα-helixtrans-75.3-33.4174.9-76.7-61.6-68.300113.1F73 L74 M75 C79 A80F73-M77 HydrophobicContact CE1-CG 4.4Å; F73-M77 WeakPolarHBondContact O-CG 2.98Å; F73-M77 PolarHBondContact O-N 3.3Å; L74-M77 PolarHBondContact O-N 3.3Å; M75-M77 VanDerWaalsContact C-N 3.35Å; M77-C79 VanDerWaalsContact C-N 3.32Å; M77-C79 PolarHBondContact O-N 2.97Å; M77-A80 PolarHBondContact O-N 3.14Å
78A53.4Low53.5Low48 Ų4893.2 Ų93.240%0.39757%0.574SS.*Hα-helixtrans-64.5-35.7175.200000112.2L74 M75 A80 T81L74-A78 WeakPolarHBondContact O-CB 3.45Å; L74-A78 PolarHBondContact O-N 3.25Å; M75-A78 PolarHBondContact O-N 3.14Å; A78-A80 VanDerWaalsContact C-N 3.33Å; A78-A80 PolarHBondContact O-N 2.97Å; A78-T81 PolarHBondContact O-N 3.29Å; A78-T81 PolarHBondContact O-OG1 3.19Å
79C53.8Low52.9Low94 Ų9497 Ų9764%0.63560%0.602SS**THydrogen-bonded Turntrans-75.8-14.1174.8-72.30000114.6M75 M77 P82M75-C79 PolarHBondContact O-N 3.43Å; M77-C79 VanDerWaalsContact C-N 3.32Å; M77-C79 PolarHBondContact O-N 2.97Å; C79-P82 VanDerWaalsContact O-CD 3.25Å; C79-P82 WeakPolarHBondContact O-CD 3.42Å
80A46.7Very low52.1Low46 Ų4699.4 Ų99.438%0.3861%0.613SS.*THydrogen-bonded Turntrans-83.4-12.8172.900000112.9M77 A78 P82 L83M77-A80 PolarHBondContact O-N 3.14Å; A78-A80 VanDerWaalsContact C-N 3.33Å; A78-A80 PolarHBondContact O-N 2.97Å; A80-P82 VanDerWaalsContact C-CD 3.46Å; A80-L83 WeakPolarHBondContact O-CB 3.41Å; A80-L83 PolarHBondContact O-N 3.09Å; A80-L83 VanDerWaalsContact O-N 3.12Å
81T55.6Low51.1Low90 Ų9099.8 Ų99.855%0.55263%0.625SS**Hα-helixtrans-66.8-28.1-177.161.50000115.9A78 L83 L84 S85A78-T81 PolarHBondContact O-N 3.29Å; A78-T81 PolarHBondContact O-OG1 3.19Å; T81-L83 PolarHBondContact O-N 3.43Å; T81-L84 PolarHBondContact O-N 2.92Å; T81-S85 PolarHBondContact O-N 3.46Å
82P52.3Low50Low92 Ų9298.8 Ų98.860%0.59763%0.631SS**Hα-helixtrans-70.2-20.4171.8-14.329.5000112.7C79 A80C79-P82 VanDerWaalsContact O-CD 3.25Å; C79-P82 WeakPolarHBondContact O-CD 3.42Å; A80-P82 VanDerWaalsContact C-CD 3.46Å
83L48.8Very low48.8Very low160 Ų16099.3 Ų99.384%0.83864%0.641SS**Hα-helixtrans-80.6-21.1-179.6-147.976.9000112.7A80 T81A80-L83 WeakPolarHBondContact O-CB 3.41Å; A80-L83 PolarHBondContact O-N 3.09Å; A80-L83 VanDerWaalsContact O-N 3.12Å; T81-L83 PolarHBondContact O-N 3.43Å
84L47.1Very low47.9Very low150 Ų150103.9 Ų103.979%0.78565%0.654SS**Hα-helixtrans-95.6-23.9173.6-120.284.8000113.3T81T81-L84 PolarHBondContact O-N 2.92Å
85S46Very low47.1Very low103 Ų103107.3 Ų107.372%0.7267%0.667SS**THydrogen-bonded Turntrans-87.71.2-178.8-1640000114.6T81 A87T81-S85 PolarHBondContact O-N 3.46Å; S85-A87 PolarHBondContact O-N 3.38Å
86A46.6Very low46Very low79 Ų79105.7 Ų105.765%0.65367%0.672SS**THydrogen-bonded Turntrans-80.65.3168.700000113.3G88A86-G88 PolarHBondContact O-N 3.47Å
87A42.9Very low45.3Very low96 Ų96113.3 Ų113.379%0.79369%0.692SS**  trans-82.229.7171.400000113.3S85S85-A87 PolarHBondContact O-N 3.38Å
88G45.6Very low44.6Very low41 Ų41118.6 Ų118.642%0.42371%0.706SS.*SBendtrans-79.4150.7162.600000109.9A86 V90A86-G88 PolarHBondContact O-N 3.47Å; G88-V90 VanDerWaalsContact C-N 3.27Å; G88-V90 PolarHBondContact O-N 2.98Å
89P47.2Very low43.8Very low138 Ų138118.8 Ų118.890%0.89671%0.713SS**  trans-71.886.317830.3-31.9000109.1A91P89-A91 PolarHBondContact O-N 3.41Å
90V40.6Very low44Very low128 Ų128126.2 Ų126.278%0.77673%0.727SS**  trans-74114166.2178.80000106.1G88 A92G88-V90 VanDerWaalsContact C-N 3.27Å; G88-V90 PolarHBondContact O-N 2.98Å; V90-A92 PolarHBondContact O-N 3.45Å
91A38.2Very low43.5Very low91 Ų91128.6 Ų128.675%0.75275%0.748SS**  trans-50.1115.5172.800000109.3P89 P93P89-A91 PolarHBondContact O-N 3.41Å; A91-P93 WeakPolarHBondContact O-CD 3.23Å
92A36.8Very low43.3Very low82 Ų82132 Ų13268%0.67876%0.761SS**  trans-60.6129.8175.700000109.8V90 R94V90-A92 PolarHBondContact O-N 3.45Å; A92-R94 PolarHBondContact O-N 3.01Å; A92-R94 VanDerWaalsContact O-N 3.13Å
93P36.6Very low43.1Very low119 Ų119135 Ų13577%0.77377%0.771SS**  trans-61.5113.5151.3-12.227.7000106.3A91 E95A91-P93 WeakPolarHBondContact O-CD 3.23Å; P93-E95 PolarHBondContact O-N 3.5Å
94R41.5Very low42.6Very low243 Ų243132.2 Ų132.292%0.91777%0.766SS**  trans-6986.3166.7-80.1179.7167.2158.5-3.4107.7A92A92-R94 PolarHBondContact O-N 3.01Å; A92-R94 VanDerWaalsContact O-N 3.13Å
95E41.6Very low42.5Very low178 Ų178131 Ų13183%0.83276%0.764SS**  trans-98.1114.4158.8-79.1-64157.600107.7P93 F97P93-E95 PolarHBondContact O-N 3.5Å; E95-F97 PolarHBondContact O-N 3.27Å
96A33.5Very low42.2Very low83 Ų83133.5 Ų133.569%0.68676%0.764SS**  trans-65.2132.1-173.200000109.6R98A96-R98 PolarHBondContact O-N 3.4Å
97F41.8Very low42Very low209 Ų209135.2 Ų135.292%0.91777%0.771SS**  trans-59.287.3159.6-176.3-99.1000108.5E95 G99E95-F97 PolarHBondContact O-N 3.27Å; F97-G99 PolarHBondContact O-N 3.41Å
98R39.3Very low41.7Very low221 Ų221133 Ų13383%0.83476%0.758SS**  trans-98.784.7175.1-158.5175.4-162.6-175.83.9107.9A96 R100A96-R98 PolarHBondContact O-N 3.4Å; R98-R100 PolarHBondContact O-N 3.41Å
99G37.9Very low41.5Very low52 Ų52136 Ų13654%0.53677%0.773SS.*  trans-52.8125168.200000110.1F97F97-G99 PolarHBondContact O-N 3.41Å
100R56.8Low41.8Very low249 Ų249137.5 Ų137.594%0.9477%0.765SS**  trans68.895.6164.8-54.9177.5171.7-173-4115.1R98R98-R100 PolarHBondContact O-N 3.41Å
101A35.9Very low42.6Very low97 Ų97136.8 Ų136.880%0.80276%0.763SS**  trans-131.3108.7150.900000108.6
102L53.3Low43.6Very low161 Ų161137.4 Ų137.484%0.84375%0.749SS**  trans-76144.3175.1-112.8161.9000109.9
103L46.3Very low45.2Very low154 Ų154137.1 Ų137.181%0.80674%0.739SS**  trans64.280.2163.1-64.5167000117.4
104S38.3Very low46.7Very low103 Ų103141.4 Ų141.472%0.7274%0.74SS**  trans-129.999.4139.8-1750000108.6E106S104-E106 VanDerWaalsContact C-N 3.32Å; S104-E106 PolarHBondContact O-N 2.97Å
105V45.9Very low47.9Very low123 Ų123135.8 Ų135.875%0.74572%0.723SS**  trans-79.190.4162.4171.50000105.8
106E40Very low49.2Very low156 Ų156129.2 Ų129.273%0.72969%0.693SS**  trans-90.797.4155.7-105.1178.3158.700107.1S104 G108S104-E106 VanDerWaalsContact C-N 3.32Å; S104-E106 PolarHBondContact O-N 2.97Å; E106-G108 PolarHBondContact O-N 3.03Å
107S41.5Very low51Low115 Ų115128.4 Ų128.480%0.80468%0.679SS**  trans-67.271.5165.7-82.10000109.4
108G38.2Very low52.5Low49 Ų49122.4 Ų122.451%0.50566%0.656SS.*  trans-98.574.9167.500000109.4E106 K110E106-G108 PolarHBondContact O-N 3.03Å; G108-K110 VanDerWaalsContact C-N 3.3Å; G108-K110 PolarHBondContact O-N 3.34Å
109S41.4Very low54.1Low105 Ų105111.9 Ų111.973%0.73462%0.616SS**  trans-61.994.3166.657.40000108.3P111S109-P111 WeakPolarHBondContact O-CD 3.49Å; S109-P111 VanDerWaalsContact O-N 3.12Å
110K52.9Low55.9Low170 Ų170112.6 Ų112.674%0.73961%0.605SS**  trans-59.3114.5166.5-74.4179.6179.7172.70106.6G108G108-K110 VanDerWaalsContact C-N 3.3Å; G108-K110 PolarHBondContact O-N 3.34Å
111P57.8Low56.8Low112 Ų112104.4 Ų104.473%0.72758%0.582SS**PPolyproline II helixtrans-66.4142.6-178.826.1-31.3000109.4S109 T113S109-P111 WeakPolarHBondContact O-CD 3.49Å; S109-P111 VanDerWaalsContact O-N 3.12Å; P111-T113 PolarHBondContact O-N 3.43Å
112F58.2Low58.6Low105 Ų105101.7 Ų101.746%0.46155%0.554SS.*PPolyproline II helixtrans-50.9122.7176-69.8-84.3000110.8V117 H186F112-V117 HydrophobicContact CB-CG2 3.7Å; F112-V117 HydrophobicContact CG-CG2 4.44Å; F112-H186 AromaticContact CD1-CE1 3.54Å; F112-H186 AromaticContact CD1-ND1 3.98Å; F112-H186 AromaticContact CE1-CE1 3.4Å; F112-H186 WeakPolarHBondContact CE1-CE1 3.42Å; F112-H186 AromaticContact CE1-ND1 3.34Å; F112-H186 VanDerWaalsContact CE1-ND1 3.34Å; F112-H186 WeakPolarHBondContact CE1-ND1 3.42Å
113T69.6Low59.7Low75 Ų7594 Ų9446%0.4651%0.513SS..PPolyproline II helixtrans-69.4143.2171.9-53.90000108.3P111 Q115 E116 V117P111-T113 PolarHBondContact O-N 3.43Å; T113-Q115 HydrophobicContact CG2-CB 4.43Å; T113-Q115 PolarHBondContact O-N 3.03Å; T113-E116 WeakPolarHBondContact CB-OE2 3.36Å; T113-E116 PolarHBondContact N-OE2 2.91Å; T113-E116 WeakPolarHBondContact O-CB 3.48Å; T113-E116 PolarHBondContact O-N 3.49Å; T113-E116 PolarHBondContact OG1-OE2 3.36Å; T113-V117 PolarHBondContact O-N 3.03Å; T113-V117 VanDerWaalsContact O-N 3.13Å
114R70Confident61.1Low210 Ų21088.3 Ų88.379%0.79249%0.487SS*.Hα-helixtrans-53.8-32.3-179.1-167.7-177.3-68.3-151.40.1112.6I118R114-I118 HydrophobicContact CG-CD1 4.42Å; R114-I118 WeakPolarHBondContact O-CD1 3.23Å; R114-I118 VanDerWaalsContact O-CG1 3.26Å; R114-I118 WeakPolarHBondContact O-CG1 3.3Å; R114-I118 PolarHBondContact O-N 2.95Å
115Q66.1Low63Low124 Ų12487.8 Ų87.858%0.57948%0.475SS*.Hα-helixtrans-68.4-42.4176-68.7175.7-16.900112.4L26 T113 V117 I118 G119L26-Q115 CarbonylContact O-C 3.51Å; T113-Q115 HydrophobicContact CG2-CB 4.43Å; T113-Q115 PolarHBondContact O-N 3.03Å; Q115-V117 VanDerWaalsContact C-N 3.34Å; Q115-V117 PolarHBondContact O-N 2.97Å; Q115-I118 PolarHBondContact O-N 3.37Å; Q115-G119 PolarHBondContact O-N 3.48Å
116E68.3Low64.5Low40 Ų4081.9 Ų81.919%0.18744%0.439CS..Hα-helixtrans-63.9-39.5176.7-61.7172.7124.500111.6T113 I118 G119 F120 H186T113-E116 WeakPolarHBondContact CB-OE2 3.36Å; T113-E116 PolarHBondContact N-OE2 2.91Å; T113-E116 WeakPolarHBondContact O-CB 3.48Å; T113-E116 PolarHBondContact O-N 3.49Å; T113-E116 PolarHBondContact OG1-OE2 3.36Å; E116-I118 VanDerWaalsContact C-N 3.32Å; E116-I118 PolarHBondContact O-N 3.4Å; E116-G119 PolarHBondContact O-N 3.37Å; E116-F120 VanDerWaalsContact O-CB 3.31Å; E116-F120 WeakPolarHBondContact O-CB 3.4Å; E116-F120 PolarHBondContact O-N 2.83Å; E116-H186 IonicContact OE1-CD2 3.9Å; E116-H186 IonicContact OE1-CE1 3.76Å; E116-H186 IonicContact OE1-NE2 2.88Å; E116-H186 PolarHBondContact OE1-NE2 3.35Å; E116-H186 IonicContact OE2-NE2 3.8Å
117V72.3Confident66.3Low67 Ų6774.9 Ų74.941%0.40641%0.407SS..Hα-helixtrans-62.5-41.4175.51800000111F112 T113 Q115 F120 V121F112-V117 HydrophobicContact CB-CG2 3.7Å; F112-V117 HydrophobicContact CG-CG2 4.44Å; T113-V117 PolarHBondContact O-N 3.03Å; T113-V117 VanDerWaalsContact O-N 3.13Å; Q115-V117 VanDerWaalsContact C-N 3.34Å; Q115-V117 PolarHBondContact O-N 2.97Å; V117-F120 PolarHBondContact O-N 2.92Å; V117-V121 VanDerWaalsContact O-CG2 3.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.44Å; V117-V121 PolarHBondContact O-N 2.93Å
118I72.9Confident68.1Low83 Ų8373.1 Ų73.143%0.42639%0.392SS..Hα-helixtrans-65.2-45.1176.6-66.2163.3000110.1L26 R114 Q115 E116 F120 V121 I122L26-I118 HydrophobicContact CD1-CG2 4.22Å; R114-I118 HydrophobicContact CG-CD1 4.42Å; R114-I118 WeakPolarHBondContact O-CD1 3.23Å; R114-I118 VanDerWaalsContact O-CG1 3.26Å; R114-I118 WeakPolarHBondContact O-CG1 3.3Å; R114-I118 PolarHBondContact O-N 2.95Å; Q115-I118 PolarHBondContact O-N 3.37Å; E116-I118 VanDerWaalsContact C-N 3.32Å; E116-I118 PolarHBondContact O-N 3.4Å; I118-F120 VanDerWaalsContact C-N 3.33Å; I118-F120 PolarHBondContact O-N 3.31Å; I118-V121 PolarHBondContact O-N 3.35Å; I118-I122 HydrophobicContact CG2-CD1 3.71Å; I118-I122 HydrophobicContact CG2-CG1 4.42Å; I118-I122 VanDerWaalsContact O-CG1 3.29Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; I118-I122 PolarHBondContact O-N 3.04Å
119G73.2Confident69.9Low0 Ų074.6 Ų74.60%039%0.387CS..Hα-helixtrans-59.6-41.6175.600000112.8Q115 E116 I122 G123Q115-G119 PolarHBondContact O-N 3.48Å; E116-G119 PolarHBondContact O-N 3.37Å; G119-I122 PolarHBondContact O-N 2.89Å; G119-G123 PolarHBondContact O-N 3.3Å
120F74.4Confident71.5Confident67 Ų6771.5 Ų71.529%0.29436%0.36SS..Hα-helixtrans-61.6-45.6175.8-177.1-79.5000112.3E116 V117 I118 S124 L185 L188 P189E116-F120 VanDerWaalsContact O-CB 3.31Å; E116-F120 WeakPolarHBondContact O-CB 3.4Å; E116-F120 PolarHBondContact O-N 2.83Å; V117-F120 PolarHBondContact O-N 2.92Å; I118-F120 VanDerWaalsContact C-N 3.33Å; I118-F120 PolarHBondContact O-N 3.31Å; F120-S124 WeakPolarHBondContact O-CB 3.39Å; F120-S124 PolarHBondContact O-N 3Å; F120-S124 PolarHBondContact O-OG 3.49Å; F120-L185 WeakPolarHBondContact CE2-O 3.5Å; F120-L188 HydrophobicContact CE2-CB 4.48Å; F120-P189 HydrophobicContact CD1-CG 3.99Å; F120-P189 HydrophobicContact CD2-CG 3.36Å; F120-P189 HydrophobicContact CE1-CG 3.85Å; F120-P189 HydrophobicContact CE2-CG 3.23Å; F120-P189 HydrophobicContact CG-CG 3.76Å; F120-P189 HydrophobicContact CZ-CG 3.47Å; F120-P189 VanDerWaalsContact CZ-CG 3.47Å
121V75.6Confident72.8Confident76 Ų7665.4 Ų65.446%0.46134%0.335SS..Hα-helixtrans-65.3-45.6179171.50000110.6V117 I118 S124 I125V117-V121 VanDerWaalsContact O-CG2 3.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.44Å; V117-V121 PolarHBondContact O-N 2.93Å; I118-V121 PolarHBondContact O-N 3.35Å; V121-S124 WeakPolarHBondContact O-CB 3.3Å; V121-S124 PolarHBondContact O-N 2.81Å; V121-I125 HydrophobicContact CG1-CD1 4.05Å; V121-I125 WeakPolarHBondContact O-CG1 3.36Å; V121-I125 PolarHBondContact O-N 3.28Å
122I75.3Confident73.7Confident40 Ų4064.6 Ų64.621%0.20532%0.324CS..Hα-helixtrans-64.2-44.1178.5-65.2171.1000110.8C19 I22 L26 I118 G119 S124 I125 S126C19-I122 HydrophobicContact CB-CG2 3.98Å; C19-I122 VanDerWaalsContact O-CG2 3.26Å; C19-I122 WeakPolarHBondContact O-CG2 3.41Å; I22-I122 HydrophobicContact CG2-CD1 4.13Å; L26-I122 HydrophobicContact CD1-CD1 4Å; I118-I122 HydrophobicContact CG2-CD1 3.71Å; I118-I122 HydrophobicContact CG2-CG1 4.42Å; I118-I122 VanDerWaalsContact O-CG1 3.29Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; I118-I122 PolarHBondContact O-N 3.04Å; G119-I122 PolarHBondContact O-N 2.89Å; I122-S124 VanDerWaalsContact C-N 3.33Å; I122-S124 PolarHBondContact O-N 3.15Å; I122-I125 PolarHBondContact O-N 2.99Å; I122-S126 PolarHBondContact O-N 2.96Å
123G75.3Confident74.6Confident0 Ų061.2 Ų61.20%031%0.314CS..Hα-helixtrans-60.7-40.6174.700000112.4G119 I125 S126 S127G119-G123 PolarHBondContact O-N 3.3Å; G123-I125 PolarHBondContact O-N 3.5Å; G123-S126 WeakPolarHBondContact O-CB 3.29Å; G123-S126 PolarHBondContact O-N 3Å; G123-S127 PolarHBondContact O-N 3.4Å; G123-S127 PolarHBondContact O-OG 3.43Å
124S76.3Confident74.8Confident35 Ų3558.8 Ų58.825%0.24530%0.296CS..Hα-helixtrans-62.3-43.7175.7-60.30000112.2F120 V121 I122 S126 S127 V128 P189F120-S124 WeakPolarHBondContact O-CB 3.39Å; F120-S124 PolarHBondContact O-N 3Å; F120-S124 PolarHBondContact O-OG 3.49Å; V121-S124 WeakPolarHBondContact O-CB 3.3Å; V121-S124 PolarHBondContact O-N 2.81Å; I122-S124 VanDerWaalsContact C-N 3.33Å; I122-S124 PolarHBondContact O-N 3.15Å; S124-S126 VanDerWaalsContact C-N 3.32Å; S124-S126 PolarHBondContact O-N 3.45Å; S124-S127 PolarHBondContact O-N 3.16Å; S124-V128 WeakPolarHBondContact O-CG2 3.38Å; S124-V128 PolarHBondContact O-N 3.47Å; S124-P189 WeakPolarHBondContact OG-CB 3.47Å; S124-P189 WeakPolarHBondContact OG-CG 3.46Å
125I77.3Confident75.2Confident91 Ų9152.9 Ų52.947%0.46728%0.28SS..Hα-helixtrans-60.8-44.3175.6-67.5164.9000110V121 I122 G123 S127 V128 L129V121-I125 HydrophobicContact CG1-CD1 4.05Å; V121-I125 WeakPolarHBondContact O-CG1 3.36Å; V121-I125 PolarHBondContact O-N 3.28Å; I122-I125 PolarHBondContact O-N 2.99Å; G123-I125 PolarHBondContact O-N 3.5Å; I125-S127 PolarHBondContact O-N 2.93Å; I125-V128 PolarHBondContact O-N 2.84Å; I125-L129 HydrophobicContact CG2-CD1 4.09Å; I125-L129 HydrophobicContact CG2-CG 4.45Å; I125-L129 WeakPolarHBondContact O-CG 3.28Å; I125-L129 PolarHBondContact O-N 3.45Å
126S77.8Confident75.5Confident0 Ų050.6 Ų50.60%028%0.276CS..Hα-helixtrans-59-47.2176.2-170.90000112.4G16 I122 G123 S124 V128 L129 Y130G16-S126 PolarHBondContact O-OG 3.32Å; I122-S126 PolarHBondContact O-N 2.96Å; G123-S126 WeakPolarHBondContact O-CB 3.29Å; G123-S126 PolarHBondContact O-N 3Å; S124-S126 VanDerWaalsContact C-N 3.32Å; S124-S126 PolarHBondContact O-N 3.45Å; S126-V128 VanDerWaalsContact C-N 3.31Å; S126-V128 PolarHBondContact O-N 3.28Å; S126-L129 PolarHBondContact O-N 3.49Å; S126-L129 VanDerWaalsContact O-N 3.16Å; S126-Y130 WeakPolarHBondContact O-CD2 3.33Å; S126-Y130 PolarHBondContact O-N 2.94Å; S126-Y130 WeakPolarHBondContact OG-CE2 3.26Å
127S77.3Confident75.5Confident8 Ų851.3 Ų51.36%0.05628%0.279CS..Hα-helixtrans-59.4-42178.5-69.80000112.2G123 S124 I125 Y130 L131 P189 G193G123-S127 PolarHBondContact O-N 3.4Å; G123-S127 PolarHBondContact O-OG 3.43Å; S124-S127 PolarHBondContact O-N 3.16Å; I125-S127 PolarHBondContact O-N 2.93Å; S127-Y130 PolarHBondContact O-N 3.3Å; S127-L131 WeakPolarHBondContact O-CG 3.46Å; S127-L131 PolarHBondContact O-N 3.24Å; S127-P189 WeakPolarHBondContact CB-O 3.46Å; S127-P189 PolarHBondContact OG-O 3.32Å; S127-G193 WeakPolarHBondContact OG-CA 3.19Å
128V79.2Confident75.8Confident79 Ų7949.4 Ų49.448%0.47927%0.266SS..Hα-helixtrans-64.1-43.5175.2172.30000111S124 I125 S126 Y130 L131 L132S124-V128 WeakPolarHBondContact O-CG2 3.38Å; S124-V128 PolarHBondContact O-N 3.47Å; I125-V128 PolarHBondContact O-N 2.84Å; S126-V128 VanDerWaalsContact C-N 3.31Å; S126-V128 PolarHBondContact O-N 3.28Å; V128-Y130 PolarHBondContact O-N 3.22Å; V128-L131 PolarHBondContact O-N 3.46Å; V128-L132 HydrophobicContact CG1-CD1 3.79Å; V128-L132 HydrophobicContact CG1-CG 4.17Å; V128-L132 WeakPolarHBondContact O-CB 3.5Å; V128-L132 VanDerWaalsContact O-CG 3.27Å; V128-L132 WeakPolarHBondContact O-CG 3.38Å; V128-L132 PolarHBondContact O-N 3.04Å
129L76.9Confident75.8Confident80 Ų8054 Ų5442%0.41928%0.278SS..Hα-helixtrans-61.6-41.9177.3-71.7174.1000112.1I125 S126 L132 S133I125-L129 HydrophobicContact CG2-CD1 4.09Å; I125-L129 HydrophobicContact CG2-CG 4.45Å; I125-L129 WeakPolarHBondContact O-CG 3.28Å; I125-L129 PolarHBondContact O-N 3.45Å; S126-L129 PolarHBondContact O-N 3.49Å; S126-L129 VanDerWaalsContact O-N 3.16Å; L129-L132 PolarHBondContact O-N 3.32Å; L129-S133 WeakPolarHBondContact O-CB 3.26Å; L129-S133 PolarHBondContact O-N 2.95Å
130Y75.8Confident75.8Confident39 Ų3956.5 Ų56.515%0.15329%0.293CS..Hα-helixtrans-62.6-45.3175-72.1-57.5000112.2D17 N20 S126 S127 V128 L132 S133 R134D17-Y130 VanDerWaalsContact CA-OH 3.32Å; D17-Y130 WeakPolarHBondContact CA-OH 3.48Å; D17-Y130 PolarHBondContact N-OH 3.47Å; D17-Y130 WeakPolarHBondContact OD1-CE1 3.44Å; D17-Y130 VanDerWaalsContact OD1-CZ 3.3Å; D17-Y130 PolarHBondContact OD1-OH 2.72Å; N20-Y130 HydrophobicContact CB-CE2 4.45Å; S126-Y130 WeakPolarHBondContact O-CD2 3.33Å; S126-Y130 PolarHBondContact O-N 2.94Å; S126-Y130 WeakPolarHBondContact OG-CE2 3.26Å; S127-Y130 PolarHBondContact O-N 3.3Å; V128-Y130 PolarHBondContact O-N 3.22Å; Y130-L132 PolarHBondContact O-N 3.48Å; Y130-S133 WeakPolarHBondContact O-CB 3.29Å; Y130-S133 PolarHBondContact O-N 3.46Å; Y130-S133 PolarHBondContact O-OG 2.88Å; Y130-R134 PolarHBondContact O-N 3.42Å
131L78.8Confident75.6Confident43 Ų4353.5 Ų53.523%0.22528%0.281CS..Hα-helixtrans-58.2-48.4176-79.3162.6000111.4S127 V128 S133 R134 G196 V197 L200S127-L131 WeakPolarHBondContact O-CG 3.46Å; S127-L131 PolarHBondContact O-N 3.24Å; V128-L131 PolarHBondContact O-N 3.46Å; L131-S133 VanDerWaalsContact C-N 3.28Å; L131-S133 PolarHBondContact O-N 3.04Å; L131-R134 PolarHBondContact O-N 3.37Å; L131-G196 VanDerWaalsContact CD2-C 3.47Å; L131-V197 HydrophobicContact CD2-CG2 4.5Å; L131-L200 HydrophobicContact CD2-CD1 3.66Å; L131-L200 HydrophobicContact CD2-CG 4.38Å; L131-L200 WeakPolarHBondContact O-CD1 3.37Å
132L77.5Confident75.7Confident95 Ų9555.3 Ų55.350%0.49728%0.282SS..Hα-helixtrans-65.3-31.7179.2-68.4177.8000112.1V128 L129 Y130 R134 L135 P136V128-L132 HydrophobicContact CG1-CD1 3.79Å; V128-L132 HydrophobicContact CG1-CG 4.17Å; V128-L132 WeakPolarHBondContact O-CB 3.5Å; V128-L132 VanDerWaalsContact O-CG 3.27Å; V128-L132 WeakPolarHBondContact O-CG 3.38Å; V128-L132 PolarHBondContact O-N 3.04Å; L129-L132 PolarHBondContact O-N 3.32Å; Y130-L132 PolarHBondContact O-N 3.48Å; L132-R134 PolarHBondContact O-N 2.88Å; L132-L135 HydrophobicContact CD2-CD1 4.03Å; L132-L135 PolarHBondContact O-N 3.21Å; L132-P136 WeakPolarHBondContact O-CD 3.32Å
133S76.4Confident75.6Confident34 Ų3459.2 Ų59.224%0.23830%0.303CS..Hα-helixtrans-64.2-27.1177.881.20000113.5L129 Y130 L131L129-S133 WeakPolarHBondContact O-CB 3.26Å; L129-S133 PolarHBondContact O-N 2.95Å; Y130-S133 WeakPolarHBondContact O-CB 3.29Å; Y130-S133 PolarHBondContact O-N 3.46Å; Y130-S133 PolarHBondContact O-OG 2.88Å; L131-S133 VanDerWaalsContact C-N 3.28Å; L131-S133 PolarHBondContact O-N 3.04Å
134R73.7Confident75.4Confident23 Ų2366.8 Ų66.89%0.08733%0.332CS..Hα-helixtrans-82.8-27.6-177.2-66.8-67.7-173.1-1013.7112.9Y130 L131 L132 Q137 I138 L200 D201Y130-R134 PolarHBondContact O-N 3.42Å; L131-R134 PolarHBondContact O-N 3.37Å; L132-R134 PolarHBondContact O-N 2.88Å; R134-Q137 WeakPolarHBondContact O-CB 3.14Å; R134-Q137 PolarHBondContact O-N 3.5Å; R134-I138 WeakPolarHBondContact O-CG1 3.18Å; R134-I138 PolarHBondContact O-N 2.92Å; R134-I138 VanDerWaalsContact O-N 3.14Å; R134-L200 HydrophobicContact CB-CB 4.14Å; R134-L200 HydrophobicContact CB-CD1 3.75Å; R134-L200 HydrophobicContact CG-CD1 4.46Å; R134-D201 WeakPolarHBondContact CD-OD1 3.46Å; R134-D201 IonicContact NE-OD1 3.04Å; R134-D201 PolarHBondContact NE-OD1 2.82Å
135L78.8Confident75.2Confident87 Ų8770.6 Ų70.646%0.45534%0.344SS..Hα-helixtrans-63.5-45.1-177.9-62.7175.6000114.2L132 Q137 I138 R139 L200L132-L135 HydrophobicContact CD2-CD1 4.03Å; L132-L135 PolarHBondContact O-N 3.21Å; L135-Q137 PolarHBondContact O-N 3.24Å; L135-I138 PolarHBondContact O-N 3.08Å; L135-R139 PolarHBondContact O-N 3.23Å; L135-L200 HydrophobicContact CD2-CD1 4.48Å; L135-L200 HydrophobicContact CD2-CD2 4.21Å
136P71.8Confident74.6Confident76 Ų7668.1 Ų68.149%0.49434%0.335SS..Hα-helixtrans-58.5-35.6174.8-25.333.5000112.7L132 R139 T140L132-P136 WeakPolarHBondContact O-CD 3.32Å; P136-R139 PolarHBondContact O-N 3.45Å; P136-T140 VanDerWaalsContact O-CB 3.31Å; P136-T140 WeakPolarHBondContact O-CB 3.47Å; P136-T140 PolarHBondContact O-N 3.31Å; P136-T140 PolarHBondContact O-OG1 3.3Å
137Q69.8Low73.9Confident55 Ų5569 Ų6926%0.25734%0.34SS..Hα-helixtrans-66.9-47.5179.3-161.865.945.600111R134 L135 R139 T140 N141 I150R134-Q137 WeakPolarHBondContact O-CB 3.14Å; R134-Q137 PolarHBondContact O-N 3.5Å; L135-Q137 PolarHBondContact O-N 3.24Å; Q137-R139 VanDerWaalsContact C-N 3.33Å; Q137-R139 PolarHBondContact O-N 3.23Å; Q137-T140 PolarHBondContact O-N 3.2Å; Q137-N141 WeakPolarHBondContact O-CB 3.39Å; Q137-N141 PolarHBondContact O-N 3.16Å; Q137-N141 PolarHBondContact O-OD1 2.95Å; Q137-I150 HydrophobicContact CG-CD1 4.32Å
138I77.2Confident73Confident26 Ų2676.1 Ų76.113%0.13337%0.372CS..Hα-helixtrans-58.2-46.4175.9-67.7169.2000110.8R134 L135 N141 F142 L200 I203 I204R134-I138 WeakPolarHBondContact O-CG1 3.18Å; R134-I138 PolarHBondContact O-N 2.92Å; R134-I138 VanDerWaalsContact O-N 3.14Å; L135-I138 PolarHBondContact O-N 3.08Å; I138-N141 PolarHBondContact O-N 3.03Å; I138-F142 WeakPolarHBondContact O-CB 3.39Å; I138-F142 PolarHBondContact O-N 3.47Å; I138-L200 HydrophobicContact CD1-CB 4.21Å; I138-L200 HydrophobicContact CD1-CD2 3.99Å; I138-I203 HydrophobicContact CD1-CG2 4.43Å; I138-I203 HydrophobicContact CG2-CG2 4.32Å; I138-I204 HydrophobicContact CD1-CD1 4.37Å; I138-I204 HydrophobicContact CD1-CG1 4.13Å; I138-I204 HydrophobicContact CG1-CD1 3.85Å; I138-I204 HydrophobicContact CG1-CG1 3.44Å; I138-I204 VanDerWaalsContact CG1-CG1 3.44Å
139R74.4Confident71.9Confident181 Ų18175.3 Ų75.368%0.68338%0.38SS*.Hα-helixtrans-62.9-44.8179-174.3179.9179.5-178.50.3111.4L135 P136 Q137 F142 L143L135-R139 PolarHBondContact O-N 3.23Å; P136-R139 PolarHBondContact O-N 3.45Å; Q137-R139 VanDerWaalsContact C-N 3.33Å; Q137-R139 PolarHBondContact O-N 3.23Å; R139-F142 PolarHBondContact O-N 3Å; R139-L143 HydrophobicContact CG-CD1 4Å; R139-L143 HydrophobicContact CG-CG 4.45Å; R139-L143 WeakPolarHBondContact O-CB 3.4Å; R139-L143 VanDerWaalsContact O-CG 3.3Å; R139-L143 WeakPolarHBondContact O-CG 3.43Å; R139-L143 PolarHBondContact O-N 3Å
140T71.9Confident71.2Confident51 Ų5173.6 Ų73.631%0.31337%0.371SS..Hα-helixtrans-65.4-43.1-178.9-57.60000111.2P136 Q137 F142 L143 R144P136-T140 VanDerWaalsContact O-CB 3.31Å; P136-T140 WeakPolarHBondContact O-CB 3.47Å; P136-T140 PolarHBondContact O-N 3.31Å; P136-T140 PolarHBondContact O-OG1 3.3Å; Q137-T140 PolarHBondContact O-N 3.2Å; T140-F142 VanDerWaalsContact C-N 3.33Å; T140-F142 PolarHBondContact O-N 3.32Å; T140-L143 PolarHBondContact O-N 3.05Å; T140-R144 HydrophobicContact CG2-CG 4.27Å; T140-R144 WeakPolarHBondContact O-CB 3.37Å; T140-R144 VanDerWaalsContact O-CG 3.31Å; T140-R144 WeakPolarHBondContact O-CG 3.38Å; T140-R144 PolarHBondContact O-N 2.65Å
141N71.8Confident70.9Confident5 Ų574.8 Ų74.83%0.02739%0.385CS..Hα-helixtrans-60.9-42.9174.6-70.6-2.1000111.3Q137 I138 R144 K145 Y211Q137-N141 WeakPolarHBondContact O-CB 3.39Å; Q137-N141 PolarHBondContact O-N 3.16Å; Q137-N141 PolarHBondContact O-OD1 2.95Å; I138-N141 PolarHBondContact O-N 3.03Å; N141-R144 PolarHBondContact O-N 3.12Å; N141-K145 PolarHBondContact O-N 3.3Å; N141-Y211 WeakPolarHBondContact O-CE2 3.43Å
142F76.6Confident70.4Confident113 Ų11377 Ų7750%0.49639%0.391SS..Hα-helixtrans-64.2-41.3177.9-174.9-95.4000113I138 R139 T140 K145I138-F142 WeakPolarHBondContact O-CB 3.39Å; I138-F142 PolarHBondContact O-N 3.47Å; R139-F142 PolarHBondContact O-N 3Å; T140-F142 VanDerWaalsContact C-N 3.33Å; T140-F142 PolarHBondContact O-N 3.32Å; F142-K145 WeakPolarHBondContact O-CD 3.46Å; F142-K145 WeakPolarHBondContact O-CE 3.42Å
143L74.3Confident70Confident122 Ų12276.2 Ų76.264%0.63939%0.393SS*.Hα-helixtrans-70.3-39.2178.2-71.6172.5000112.3R139 T140R139-L143 HydrophobicContact CG-CD1 4Å; R139-L143 HydrophobicContact CG-CG 4.45Å; R139-L143 WeakPolarHBondContact O-CB 3.4Å; R139-L143 VanDerWaalsContact O-CG 3.3Å; R139-L143 WeakPolarHBondContact O-CG 3.43Å; R139-L143 PolarHBondContact O-N 3Å; T140-L143 PolarHBondContact O-N 3.05Å
144R71.2Confident69.7Low160 Ų16080.1 Ų80.160%0.60441%0.411SS*.Hα-helixtrans-80.1-18.6-178.8-69.2-177.4-178.6-155.1-0.3113.6T140 N141 S146T140-R144 HydrophobicContact CG2-CG 4.27Å; T140-R144 WeakPolarHBondContact O-CB 3.37Å; T140-R144 VanDerWaalsContact O-CG 3.31Å; T140-R144 WeakPolarHBondContact O-CG 3.38Å; T140-R144 PolarHBondContact O-N 2.65Å; N141-R144 PolarHBondContact O-N 3.12Å; R144-S146 PolarHBondContact O-N 3.21Å
145K71.6Confident69.7Low114 Ų11480.4 Ų80.450%0.49641%0.413SS..THydrogen-bonded Turntrans51.225-172.8-59.2-68.2-176.3-176.90113.3N141 F142 Y211N141-K145 PolarHBondContact O-N 3.3Å; F142-K145 WeakPolarHBondContact O-CD 3.46Å; F142-K145 WeakPolarHBondContact O-CE 3.42Å; K145-Y211 HydrophobicContact CB-CE1 4.34Å; K145-Y211 HydrophobicContact CD-CE1 3.72Å
146S63.3Low69.4Low40 Ų4078.1 Ų78.128%0.2841%0.407SS..  trans-148.7141.5-175.7175.40000109R144 Q148R144-S146 PolarHBondContact O-N 3.21Å; S146-Q148 PolarHBondContact OG-N 3.4Å
147T64.1Low69.5Low17 Ų1780 Ų8010%0.10441%0.412CS..  trans-106.317.9175.755.50000112.8G149 I150 F208 Y211T147-G149 PolarHBondContact O-N 3.04Å; T147-I150 PolarHBondContact O-N 3.32Å; T147-F208 VanDerWaalsContact CB-CD2 3.43Å; T147-F208 HydrophobicContact CG2-CB 4.28Å; T147-F208 HydrophobicContact CG2-CD2 3.69Å; T147-F208 HydrophobicContact CG2-CE2 4.39Å; T147-F208 HydrophobicContact CG2-CG 4.28Å; T147-F208 WeakPolarHBondContact OG1-CD2 3.26Å; T147-F208 VanDerWaalsContact OG1-CE2 3.32Å; T147-F208 WeakPolarHBondContact OG1-CE2 3.29Å; T147-Y211 HydrophobicContact CG2-CD2 3.93Å
148Q58.2Low69.7Low158 Ų15879.2 Ų79.274%0.73841%0.411SS*.THydrogen-bonded Turntrans-63.4125.4177.2-74.1-156.8-14.500111.3S146S146-Q148 PolarHBondContact OG-N 3.4Å
149G56.7Low69.7Low63 Ų6379.6 Ų79.665%0.64941%0.413SS*.THydrogen-bonded Turntrans110.6-2.1-179.200000115.4T147T147-G149 PolarHBondContact O-N 3.04Å
150I61.1Low69.9Low44 Ų4475.7 Ų75.723%0.22640%0.404CS..  trans-122.8128.6-179.4-53.2169.9000110.3Q137 T147 Y152 F155Q137-I150 HydrophobicContact CG-CD1 4.32Å; T147-I150 PolarHBondContact O-N 3.32Å; I150-Y152 PolarHBondContact O-N 2.92Å; I150-F155 HydrophobicContact CG2-CD2 3.82Å; I150-F155 HydrophobicContact CG2-CE2 3.57Å
151S70.2Confident70Confident64 Ų6474.5 Ų74.545%0.44840%0.403SS..  trans-79.5116.1174.5178.60000110.9S153 L154S151-S153 VanDerWaalsContact C-N 3.27Å; S151-S153 PolarHBondContact O-N 3.26Å; S151-L154 PolarHBondContact O-N 3.17Å
152Y68Low70.5Confident89 Ų8975.6 Ų75.635%0.34941%0.408SS..Hα-helixtrans-61.8-33.3177.6-178.4-105.1000112.9I150 L154 F155 A156 F208I150-Y152 PolarHBondContact O-N 2.92Å; Y152-L154 VanDerWaalsContact C-N 3.27Å; Y152-L154 PolarHBondContact O-N 3.18Å; Y152-F155 PolarHBondContact O-N 2.72Å; Y152-F155 VanDerWaalsContact O-N 3.15Å; Y152-A156 HydrophobicContact CE1-CB 4.45Å; Y152-A156 PolarHBondContact O-N 2.9Å; Y152-F208 HydrophobicContact CD2-CB 4.15Å; Y152-F208 AromaticContact CD2-CD1 3.71Å; Y152-F208 HydrophobicContact CD2-CD1 3.71Å; Y152-F208 HydrophobicContact CD2-CD2 4.31Å; Y152-F208 HydrophobicContact CD2-CE1 4.21Å; Y152-F208 AromaticContact CD2-CG 3.79Å; Y152-F208 HydrophobicContact CD2-CG 3.79Å; Y152-F208 HydrophobicContact CE2-CB 4.42Å; Y152-F208 HydrophobicContact CE2-CD1 4.37Å; Y152-F208 HydrophobicContact CE2-CG 4.48Å; Y152-F208 HydrophobicContact CG-CD1 4.09Å; Y152-F208 HydrophobicContact CG-CE1 4.12Å; Y152-F208 HydrophobicContact CG-CG 4.49Å
153S69.6Low70.4Confident78 Ų7873.3 Ų73.355%0.54540%0.404SS..Hα-helixtrans-61.6-34.4-179.7-56.40000112.8S151 L157S151-S153 VanDerWaalsContact C-N 3.27Å; S151-S153 PolarHBondContact O-N 3.26Å; S153-L157 WeakPolarHBondContact O-CB 3.49Å; S153-L157 WeakPolarHBondContact O-CG 3.49Å; S153-L157 PolarHBondContact O-N 2.99Å
154L70.7Confident70.5Confident116 Ų11672.4 Ų72.461%0.60740%0.399SS*.Hα-helixtrans-66.1-44.2175.4-82.1167.9000111.4S151 Y152 L157 V158S151-L154 PolarHBondContact O-N 3.17Å; Y152-L154 VanDerWaalsContact C-N 3.27Å; Y152-L154 PolarHBondContact O-N 3.18Å; L154-L157 PolarHBondContact O-N 2.91Å; L154-V158 VanDerWaalsContact O-CG2 3.3Å; L154-V158 WeakPolarHBondContact O-CG2 3.4Å; L154-V158 PolarHBondContact O-N 3.23Å
155F72.1Confident70.7Confident29 Ų2966.5 Ų66.513%0.12738%0.377CS..Hα-helixtrans-63.2-44.3175.9-91.2-87.7000111.9I150 Y152 L157 V158 M159 D201 I204I150-F155 HydrophobicContact CG2-CD2 3.82Å; I150-F155 HydrophobicContact CG2-CE2 3.57Å; Y152-F155 PolarHBondContact O-N 2.72Å; Y152-F155 VanDerWaalsContact O-N 3.15Å; F155-L157 VanDerWaalsContact C-N 3.33Å; F155-L157 PolarHBondContact O-N 3.25Å; F155-V158 PolarHBondContact O-N 3.4Å; F155-M159 WeakPolarHBondContact O-CB 3.48Å; F155-M159 VanDerWaalsContact O-CG 3.28Å; F155-M159 WeakPolarHBondContact O-CG 3.4Å; F155-M159 PolarHBondContact O-N 3.27Å; F155-D201 HydrophobicContact CD1-CB 4.18Å; F155-D201 WeakPolarHBondContact CE1-OD1 3.34Å; F155-I204 HydrophobicContact CD1-CD1 4.5Å; F155-I204 HydrophobicContact CD1-CG2 4.21Å; F155-I204 HydrophobicContact CE1-CB 4.33Å; F155-I204 HydrophobicContact CE1-CD1 3.55Å; F155-I204 HydrophobicContact CE1-CG2 3.99Å; F155-I204 HydrophobicContact CZ-CD1 3.96Å; F155-I204 HydrophobicContact CZ-CG2 4.18Å
156A73Confident70.7Confident39 Ų3961.6 Ų61.632%0.32236%0.359SS..Hα-helixtrans-61.5-39.717800000112.7Y152 M159 L160Y152-A156 HydrophobicContact CE1-CB 4.45Å; Y152-A156 PolarHBondContact O-N 2.9Å; A156-M159 PolarHBondContact O-N 2.91Å; A156-L160 WeakPolarHBondContact O-CB 3.41Å; A156-L160 PolarHBondContact O-N 3.45Å
157L74.6Confident71.2Confident115 Ų11563.7 Ų63.760%0.60237%0.367SS*.Hα-helixtrans-66.7-41.4175.6-78.2165.8000112.3S153 L154 F155 L160 G161S153-L157 WeakPolarHBondContact O-CB 3.49Å; S153-L157 WeakPolarHBondContact O-CG 3.49Å; S153-L157 PolarHBondContact O-N 2.99Å; L154-L157 PolarHBondContact O-N 2.91Å; F155-L157 VanDerWaalsContact C-N 3.33Å; F155-L157 PolarHBondContact O-N 3.25Å; L157-L160 PolarHBondContact O-N 3.35Å; L157-G161 PolarHBondContact O-N 3.04Å
158V74Confident71.5Confident39 Ų3964.9 Ų64.924%0.23638%0.376CS..Hα-helixtrans-64.6-42.7175.91710000111L154 F155 L160 G161 N162L154-V158 VanDerWaalsContact O-CG2 3.3Å; L154-V158 WeakPolarHBondContact O-CG2 3.4Å; L154-V158 PolarHBondContact O-N 3.23Å; F155-V158 PolarHBondContact O-N 3.4Å; V158-L160 PolarHBondContact O-N 2.95Å; V158-G161 PolarHBondContact O-N 3.08Å; V158-N162 PolarHBondContact O-N 2.94Å; V158-N162 PolarHBondContact O-ND2 3.44Å
159M76.8Confident72Confident35 Ų3557.7 Ų57.717%0.17234%0.343CS..Hα-helixtrans-61-43.9174.5-71.6177.26900112F155 A156 N162 T163 L198 D201 T202 S205F155-M159 WeakPolarHBondContact O-CB 3.48Å; F155-M159 VanDerWaalsContact O-CG 3.28Å; F155-M159 WeakPolarHBondContact O-CG 3.4Å; F155-M159 PolarHBondContact O-N 3.27Å; A156-M159 PolarHBondContact O-N 2.91Å; M159-N162 PolarHBondContact O-N 3.33Å; M159-T163 WeakPolarHBondContact O-CB 3.35Å; M159-T163 PolarHBondContact O-N 3.48Å; M159-T163 PolarHBondContact O-OG1 3.24Å; M159-L198 HydrophobicContact CB-CD1 3.92Å; M159-L198 HydrophobicContact CE-CD1 4.28Å; M159-L198 HydrophobicContact CG-CD1 4.14Å; M159-D201 HydrophobicContact CG-CB 3.54Å; M159-D201 HydrophobicContact SD-CB 3.94Å; M159-T202 WeakPolarHBondContact CE-OG1 3.43Å; M159-S205 PolarHBondContact SD-OG 3.19Å
160L78.1Confident72.6Confident98 Ų9860.5 Ų60.551%0.51334%0.342SS..Hα-helixtrans-62.2-44.1176-178.764.6000111.1A156 L157 V158 T163 L164A156-L160 WeakPolarHBondContact O-CB 3.41Å; A156-L160 PolarHBondContact O-N 3.45Å; L157-L160 PolarHBondContact O-N 3.35Å; V158-L160 PolarHBondContact O-N 2.95Å; L160-T163 PolarHBondContact O-N 2.96Å; L160-L164 HydrophobicContact CD1-CD1 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.36Å; L160-L164 HydrophobicContact CG-CD1 4.06Å; L160-L164 WeakPolarHBondContact O-CB 3.25Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.46Å; L160-L164 PolarHBondContact O-N 3.02Å
161G74.7Confident72.8Confident27 Ų2764.3 Ų64.328%0.27836%0.362SS..Hα-helixtrans-59.5-48.6175.800000112.9L157 V158 T163 L164 Y165L157-G161 PolarHBondContact O-N 3.04Å; V158-G161 PolarHBondContact O-N 3.08Å; G161-T163 VanDerWaalsContact C-N 3.3Å; G161-T163 PolarHBondContact O-N 3.49Å; G161-L164 PolarHBondContact O-N 3.41Å; G161-Y165 WeakPolarHBondContact O-CB 3.49Å; G161-Y165 PolarHBondContact O-N 3.28Å
162N81Confident72.5Confident27 Ų2764.6 Ų64.614%0.14436%0.356CS..Hα-helixtrans-63.4-36.5177.2-74.2-31.6000112.2V158 M159 G166 S194 L198V158-N162 PolarHBondContact O-N 2.94Å; V158-N162 PolarHBondContact O-ND2 3.44Å; M159-N162 PolarHBondContact O-N 3.33Å; N162-G166 PolarHBondContact O-N 2.72Å; N162-S194 WeakPolarHBondContact CB-OG 3.45Å; N162-S194 PolarHBondContact O-OG 2.9Å; N162-S194 VanDerWaalsContact O-OG 3.07Å; N162-L198 HydrophobicContact CB-CB 4.44Å; N162-L198 HydrophobicContact CB-CD1 4.49Å
163T74.6Confident72Confident66 Ų6667 Ų6741%0.40538%0.375SS..Hα-helixtrans-66.5-46.5175.6-54.80000111.2M159 L160 G161 Y165 G166 L167M159-T163 WeakPolarHBondContact O-CB 3.35Å; M159-T163 PolarHBondContact O-N 3.48Å; M159-T163 PolarHBondContact O-OG1 3.24Å; L160-T163 PolarHBondContact O-N 2.96Å; G161-T163 VanDerWaalsContact C-N 3.3Å; G161-T163 PolarHBondContact O-N 3.49Å; T163-Y165 VanDerWaalsContact C-N 3.34Å; T163-Y165 PolarHBondContact O-N 3.46Å; T163-G166 PolarHBondContact O-N 3.27Å; T163-L167 VanDerWaalsContact O-CB 3.26Å; T163-L167 WeakPolarHBondContact O-CB 3.39Å; T163-L167 PolarHBondContact O-N 3.24Å
164L75.9Confident71.4Confident102 Ų10265.3 Ų65.353%0.53436%0.361SS..Hα-helixtrans-64.5-38.5177.4-71.1171.9000111.7L160 G161 S168L160-L164 HydrophobicContact CD1-CD1 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.36Å; L160-L164 HydrophobicContact CG-CD1 4.06Å; L160-L164 WeakPolarHBondContact O-CB 3.25Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.46Å; L160-L164 PolarHBondContact O-N 3.02Å; G161-L164 PolarHBondContact O-N 3.41Å; L164-S168 WeakPolarHBondContact O-CB 3.31Å; L164-S168 PolarHBondContact O-N 2.82Å
165Y76.3Confident70.5Confident36 Ų3666.1 Ų66.114%0.14136%0.362CS..Hα-helixtrans-64.2-51.2174.1175.1-103.9000111.6Q33 G161 T163 L167 S168 V169 W190Q33-Y165 HydrophobicContact CB-CE2 4.24Å; Q33-Y165 VanDerWaalsContact CD-OH 3.32Å; Q33-Y165 HydrophobicContact CG-CE2 4.19Å; Q33-Y165 PolarHBondContact OE1-OH 2.87Å; G161-Y165 WeakPolarHBondContact O-CB 3.49Å; G161-Y165 PolarHBondContact O-N 3.28Å; T163-Y165 VanDerWaalsContact C-N 3.34Å; T163-Y165 PolarHBondContact O-N 3.46Å; Y165-L167 VanDerWaalsContact C-N 3.26Å; Y165-L167 PolarHBondContact O-N 3.13Å; Y165-S168 WeakPolarHBondContact O-CB 3.32Å; Y165-S168 PolarHBondContact O-N 2.96Å; Y165-S168 PolarHBondContact O-OG 3.42Å; Y165-V169 HydrophobicContact CD2-CG2 4.48Å; Y165-V169 HydrophobicContact CE1-CG2 4.14Å; Y165-V169 HydrophobicContact CE2-CG2 3.99Å; Y165-V169 PolarHBondContact O-N 2.91Å; Y165-W190 HydrophobicContact CE1-CB 4.21Å; Y165-W190 WeakPolarHBondContact OH-CB 3.38Å
166G72.2Confident69.1Low12 Ų1274.8 Ų74.812%0.12440%0.403CS..Hα-helixtrans-57.5-41.617700000111.9N162 T163 V169 L170N162-G166 PolarHBondContact O-N 2.72Å; T163-G166 PolarHBondContact O-N 3.27Å; G166-V169 PolarHBondContact O-N 3.49Å; G166-L170 VanDerWaalsContact O-CG 3.29Å; G166-L170 WeakPolarHBondContact O-CG 3.44Å; G166-L170 PolarHBondContact O-N 3.38Å; G166-L170 VanDerWaalsContact O-N 3.08Å
167L72.7Confident68.1Low84 Ų8475.6 Ų75.644%0.4442%0.415SS..Hα-helixtrans-66.1-39.2175.1-172.162.8000112.1T163 Y165 V169 L170 L171T163-L167 VanDerWaalsContact O-CB 3.26Å; T163-L167 WeakPolarHBondContact O-CB 3.39Å; T163-L167 PolarHBondContact O-N 3.24Å; Y165-L167 VanDerWaalsContact C-N 3.26Å; Y165-L167 PolarHBondContact O-N 3.13Å; L167-V169 VanDerWaalsContact C-N 3.31Å; L167-V169 PolarHBondContact O-N 2.86Å; L167-L170 PolarHBondContact O-N 3.38Å; L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.83Å; L167-L171 HydrophobicContact CD2-CD1 4.13Å; L167-L171 HydrophobicContact CG-CD1 3.61Å; L167-L171 HydrophobicContact CG-CG 4Å; L167-L171 VanDerWaalsContact O-CB 3.29Å; L167-L171 WeakPolarHBondContact O-CB 3.25Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 2.66Å
168S70.8Confident67Low42 Ų4273.4 Ų73.429%0.29440%0.402SS..Hα-helixtrans-63.6-36177.3760000112.8L164 Y165 K172L164-S168 WeakPolarHBondContact O-CB 3.31Å; L164-S168 PolarHBondContact O-N 2.82Å; Y165-S168 WeakPolarHBondContact O-CB 3.32Å; Y165-S168 PolarHBondContact O-N 2.96Å; Y165-S168 PolarHBondContact O-OG 3.42Å; S168-K172 WeakPolarHBondContact O-CB 3.37Å; S168-K172 PolarHBondContact O-N 2.85Å
169V70Confident66.1Low6 Ų675.9 Ų75.94%0.03642%0.421CS..Hα-helixtrans-71.3-38.5176174.80000110.7Y165 G166 L167 H187 L191Y165-V169 HydrophobicContact CD2-CG2 4.48Å; Y165-V169 HydrophobicContact CE1-CG2 4.14Å; Y165-V169 HydrophobicContact CE2-CG2 3.99Å; Y165-V169 PolarHBondContact O-N 2.91Å; G166-V169 PolarHBondContact O-N 3.49Å; L167-V169 VanDerWaalsContact C-N 3.31Å; L167-V169 PolarHBondContact O-N 2.86Å; V169-H187 HydrophobicContact CG1-CB 4.22Å; V169-L191 HydrophobicContact CG1-CD1 4.42Å
170L68.6Low65.2Low123 Ų12381.2 Ų81.264%0.64445%0.445SS*.Hα-helixtrans-73.4-34.3178-71.1171.2000113.6G166 L167G166-L170 VanDerWaalsContact O-CG 3.29Å; G166-L170 WeakPolarHBondContact O-CG 3.44Å; G166-L170 PolarHBondContact O-N 3.38Å; G166-L170 VanDerWaalsContact O-N 3.08Å; L167-L170 PolarHBondContact O-N 3.38Å
171L64.8Low64.3Low123 Ų12378.3 Ų78.364%0.64444%0.439SS*.Hα-helixtrans-85-16.1-178.5-70.3179.8000113.3L167 N173L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.83Å; L167-L171 HydrophobicContact CD2-CD1 4.13Å; L167-L171 HydrophobicContact CG-CD1 3.61Å; L167-L171 HydrophobicContact CG-CG 4Å; L167-L171 VanDerWaalsContact O-CB 3.29Å; L167-L171 WeakPolarHBondContact O-CB 3.25Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 2.66Å; L171-N173 PolarHBondContact O-N 3.19Å
172K64.8Low63.6Low71 Ų7179 Ų7931%0.30944%0.439SS..SBendtrans-74.7113176.8-177.2166.3169.2-168.30109.4L30 S168 Y183L30-K172 HydrophobicContact CD2-CD 3.43Å; L30-K172 VanDerWaalsContact CD2-CD 3.43Å; L30-K172 HydrophobicContact CG-CD 4.35Å; S168-K172 WeakPolarHBondContact O-CB 3.37Å; S168-K172 PolarHBondContact O-N 2.85Å; K172-Y183 VanDerWaalsContact CD-OH 3.29Å; K172-Y183 WeakPolarHBondContact CD-OH 3.41Å
173N56.8Low62.9Low140 Ų14078.5 Ų78.575%0.74944%0.436SS*.PPolyproline II helixtrans-61.3136.9170.8-71.3-45.8000109.7L171L171-N173 PolarHBondContact O-N 3.19Å
174P58.1Low62.4Low41 Ų4178.9 Ų78.927%0.26644%0.435SS..PPolyproline II helixtrans-62.2143.4175.826.4-33.3000110.4E180P174-E180 HydrophobicContact CG-CG 4.2Å
175E50.2Low62Low133 Ų13378.3 Ų78.362%0.62143%0.432SS*.PPolyproline II helixtrans-64.3148.8177-68.8-178.1-175.300111G177 Q178E175-G177 PolarHBondContact O-N 3.41Å; E175-Q178 PolarHBondContact O-N 3.49Å; E175-Q178 VanDerWaalsContact O-N 3.16Å
176E43.5Very low61.5Low211 Ų21178.2 Ų78.299%0.98643%0.433SS*.THydrogen-bonded Turntrans-52.3108.5-176.8-62.1-165.5165.800110.9
177G51.6Low61.4Low56 Ų5678.2 Ų78.258%0.57743%0.43SS*.THydrogen-bonded Turntrans112.2-1.5176.800000116.8E175E175-G177 PolarHBondContact O-N 3.41Å
178Q51.6Low61.5Low70 Ų7076.9 Ų76.933%0.32742%0.423SS..  trans-102.9130.6171.3-72.1-175.3-15.400111.7E175E175-Q178 PolarHBondContact O-N 3.49Å; E175-Q178 VanDerWaalsContact O-N 3.16Å
179S55.8Low61.7Low91 Ų9175.2 Ų75.264%0.63641%0.411SS*.  trans-60.8135.8169.9176.80000109.8G181 S182 Y183S179-G181 PolarHBondContact O-N 2.76Å; S179-S182 PolarHBondContact O-N 2.97Å; S179-Y183 PolarHBondContact O-N 3.29Å
180E57.9Low61.8Low146 Ų14675.5 Ų75.568%0.68241%0.411SS*.Hα-helixtrans-48.4-36.2-177.9-56.4-168.7142.800112P174 L184P174-E180 HydrophobicContact CG-CG 4.2Å; E180-L184 PolarHBondContact O-N 3.31Å
181G58.1Low62.2Low37 Ų3770.9 Ų70.938%0.38139%0.387SS..Hα-helixtrans-67.8-40.4176.900000114S179 Y183 L184 L185S179-G181 PolarHBondContact O-N 2.76Å; G181-Y183 VanDerWaalsContact C-N 3.32Å; G181-Y183 PolarHBondContact O-N 3.43Å; G181-L184 PolarHBondContact O-N 2.89Å; G181-L185 WeakPolarHBondContact O-CB 3.4Å; G181-L185 WeakPolarHBondContact O-CG 3.31Å; G181-L185 PolarHBondContact O-N 3.36Å
182S61.5Low62.9Low41 Ų4169 Ų6929%0.28738%0.38SS..Hα-helixtrans-66.3-37.3-178.9-167.50000111.9S179 H186S179-S182 PolarHBondContact O-N 2.97Å; S182-H186 PolarHBondContact O-N 3.15Å; S182-H186 VanDerWaalsContact O-N 3.11Å
183Y64.3Low63.6Low18 Ų1865.9 Ų65.97%0.07137%0.368CS..Hα-helixtrans-65.2-48.1174.5174.9-99000111.1K172 S179 G181 L185 H186 H187K172-Y183 VanDerWaalsContact CD-OH 3.29Å; K172-Y183 WeakPolarHBondContact CD-OH 3.41Å; S179-Y183 PolarHBondContact O-N 3.29Å; G181-Y183 VanDerWaalsContact C-N 3.32Å; G181-Y183 PolarHBondContact O-N 3.43Å; Y183-L185 VanDerWaalsContact C-N 3.29Å; Y183-L185 PolarHBondContact O-N 3Å; Y183-H186 WeakPolarHBondContact O-CB 3.28Å; Y183-H186 PolarHBondContact O-N 3.44Å; Y183-H186 VanDerWaalsContact O-N 3.14Å; Y183-H187 AromaticContact CD2-CD2 3.9Å; Y183-H187 AromaticContact CD2-NE2 3.72Å; Y183-H187 AromaticContact CE1-CD2 3.79Å; Y183-H187 AromaticContact CE2-CD2 3.54Å; Y183-H187 AromaticContact CE2-NE2 3.13Å; Y183-H187 WeakPolarHBondContact CE2-NE2 3.29Å; Y183-H187 AromaticContact CZ-CD2 3.46Å; Y183-H187 VanDerWaalsContact CZ-CD2 3.46Å; Y183-H187 AromaticContact CZ-NE2 3.41Å; Y183-H187 PolarHBondContact O-CD2 3.08Å; Y183-H187 PolarHBondContact O-N 3.21Å
184L65.4Low64.8Low74 Ų7459.7 Ų59.739%0.38734%0.336SS..Hα-helixtrans-61.5-38.9177.7-131.1127.6000111.8E180 G181 H187 L188 L191E180-L184 PolarHBondContact O-N 3.31Å; G181-L184 PolarHBondContact O-N 2.89Å; L184-H187 CarbonylContact O-C 3.54Å; L184-H187 PolarHBondContact O-N 3.44Å; L184-L188 HydrophobicContact CD2-CD2 4.44Å; L184-L188 WeakPolarHBondContact O-CG 3.33Å; L184-L188 PolarHBondContact O-N 3.07Å; L184-L191 HydrophobicContact CD2-CD2 3.91Å
185L66.6Low65.9Low90 Ų9062.6 Ų62.647%0.47135%0.349SS..Hα-helixtrans-61.1-40.2174.7-72.7177.1000112.2F120 G181 Y183 H187 L188F120-L185 WeakPolarHBondContact CE2-O 3.5Å; G181-L185 WeakPolarHBondContact O-CB 3.4Å; G181-L185 WeakPolarHBondContact O-CG 3.31Å; G181-L185 PolarHBondContact O-N 3.36Å; Y183-L185 VanDerWaalsContact C-N 3.29Å; Y183-L185 PolarHBondContact O-N 3Å; L185-H187 PolarHBondContact O-N 3.34Å; L185-L188 HydrophobicContact CD2-CD1 3.39Å; L185-L188 HydrophobicContact CD2-CG 4.26Å; L185-L188 PolarHBondContact O-N 3.13Å
186H66.8Low67.5Low33 Ų3357 Ų5715%0.15333%0.326CS..Hα-helixtrans-62.6-30.9175.3-109.576.5000112.8Q29 F112 E116 S182 Y183 W190Q29-H186 PolarHBondContact NE2-O 3.48Å; F112-H186 AromaticContact CD1-CE1 3.54Å; F112-H186 AromaticContact CD1-ND1 3.98Å; F112-H186 AromaticContact CE1-CE1 3.4Å; F112-H186 WeakPolarHBondContact CE1-CE1 3.42Å; F112-H186 AromaticContact CE1-ND1 3.34Å; F112-H186 VanDerWaalsContact CE1-ND1 3.34Å; F112-H186 WeakPolarHBondContact CE1-ND1 3.42Å; E116-H186 IonicContact OE1-CD2 3.9Å; E116-H186 IonicContact OE1-CE1 3.76Å; E116-H186 IonicContact OE1-NE2 2.88Å; E116-H186 PolarHBondContact OE1-NE2 3.35Å; E116-H186 IonicContact OE2-NE2 3.8Å; S182-H186 PolarHBondContact O-N 3.15Å; S182-H186 VanDerWaalsContact O-N 3.11Å; Y183-H186 WeakPolarHBondContact O-CB 3.28Å; Y183-H186 PolarHBondContact O-N 3.44Å; Y183-H186 VanDerWaalsContact O-N 3.14Å; H186-W190 WeakPolarHBondContact O-CZ3 3.49Å
187H69.3Low69.4Low13 Ų1347.4 Ų47.46%0.0628%0.283CS..Hα-helixtrans-98.5-2.7-178.7-62.6-63.8000114.2Q29 L30 V169 Y183 L184 L185 W190 L191Q29-H187 VanDerWaalsContact CD-CE1 3.47Å; Q29-H187 PolarHBondContact NE2-CE1 3.35Å; Q29-H187 PolarHBondContact NE2-ND1 3.35Å; Q29-H187 PolarHBondContact OE1-CE1 3.01Å; Q29-H187 PolarHBondContact OE1-ND1 3.31Å; L30-H187 VanDerWaalsContact CD1-CE1 3.43Å; L30-H187 WeakPolarHBondContact CD1-CE1 3.33Å; V169-H187 HydrophobicContact CG1-CB 4.22Å; Y183-H187 AromaticContact CD2-CD2 3.9Å; Y183-H187 AromaticContact CD2-NE2 3.72Å; Y183-H187 AromaticContact CE1-CD2 3.79Å; Y183-H187 AromaticContact CE2-CD2 3.54Å; Y183-H187 AromaticContact CE2-NE2 3.13Å; Y183-H187 WeakPolarHBondContact CE2-NE2 3.29Å; Y183-H187 AromaticContact CZ-CD2 3.46Å; Y183-H187 VanDerWaalsContact CZ-CD2 3.46Å; Y183-H187 AromaticContact CZ-NE2 3.41Å; Y183-H187 PolarHBondContact O-CD2 3.08Å; Y183-H187 PolarHBondContact O-N 3.21Å; L184-H187 CarbonylContact O-C 3.54Å; L184-H187 PolarHBondContact O-N 3.44Å; L185-H187 PolarHBondContact O-N 3.34Å; H187-W190 PolarHBondContact O-N 2.88Å; H187-L191 PolarHBondContact O-N 2.93Å
188L75.1Confident71Confident56 Ų5646.6 Ų46.629%0.29327%0.265SS..Hα-helixtrans-53.1-47.3-171.9-95-173.5000115F120 L184 L185 W190 L191 V192F120-L188 HydrophobicContact CE2-CB 4.48Å; L184-L188 HydrophobicContact CD2-CD2 4.44Å; L184-L188 WeakPolarHBondContact O-CG 3.33Å; L184-L188 PolarHBondContact O-N 3.07Å; L185-L188 HydrophobicContact CD2-CD1 3.39Å; L185-L188 HydrophobicContact CD2-CG 4.26Å; L185-L188 PolarHBondContact O-N 3.13Å; L188-W190 VanDerWaalsContact C-N 3.26Å; L188-W190 PolarHBondContact O-N 2.62Å; L188-L191 PolarHBondContact O-N 3.37Å; L188-V192 HydrophobicContact CD2-CG2 4.43Å; L188-V192 WeakPolarHBondContact O-CB 3.5Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.39Å; L188-V192 PolarHBondContact O-N 2.89Å
189P74.9Confident72.6Confident7 Ų748.4 Ų48.45%0.04528%0.276CS..Hα-helixtrans-58.8-40.4-176.3-27.536.7000112.5F120 S124 S127 G193F120-P189 HydrophobicContact CD1-CG 3.99Å; F120-P189 HydrophobicContact CD2-CG 3.36Å; F120-P189 HydrophobicContact CE1-CG 3.85Å; F120-P189 HydrophobicContact CE2-CG 3.23Å; F120-P189 HydrophobicContact CG-CG 3.76Å; F120-P189 HydrophobicContact CZ-CG 3.47Å; F120-P189 VanDerWaalsContact CZ-CG 3.47Å; S124-P189 WeakPolarHBondContact OG-CB 3.47Å; S124-P189 WeakPolarHBondContact OG-CG 3.46Å; S127-P189 WeakPolarHBondContact CB-O 3.46Å; S127-P189 PolarHBondContact OG-O 3.32Å; P189-G193 PolarHBondContact O-N 2.73Å
190W71.9Confident73.9Confident11 Ų1145.3 Ų45.34%0.04225%0.252CS..Hα-helixtrans-78.7-34-179.7-62.5-82.8000112.1N20 A27 Q29 Q33 Y165 H186 H187 L188 G193 S194N20-W190 PolarHBondContact OD1-NE1 3.09Å; A27-W190 HydrophobicContact CB-CH2 3.64Å; A27-W190 HydrophobicContact CB-CZ2 4.48Å; A27-W190 HydrophobicContact CB-CZ3 4.36Å; Q29-W190 HydrophobicContact CG-CE3 4.47Å; Q29-W190 HydrophobicContact CG-CH2 4.02Å; Q29-W190 HydrophobicContact CG-CZ2 4.3Å; Q29-W190 HydrophobicContact CG-CZ3 4.11Å; Q29-W190 VanDerWaalsContact NE2-CZ3 3.35Å; Q33-W190 VanDerWaalsContact NE2-CD2 3.26Å; Y165-W190 HydrophobicContact CE1-CB 4.21Å; Y165-W190 WeakPolarHBondContact OH-CB 3.38Å; H186-W190 WeakPolarHBondContact O-CZ3 3.49Å; H187-W190 PolarHBondContact O-N 2.88Å; L188-W190 VanDerWaalsContact C-N 3.26Å; L188-W190 PolarHBondContact O-N 2.62Å; W190-G193 PolarHBondContact O-N 2.72Å; W190-S194 VanDerWaalsContact O-CB 3.28Å; W190-S194 WeakPolarHBondContact O-CB 3.47Å; W190-S194 PolarHBondContact O-N 2.9Å
191L77.9Confident75.2Confident27 Ų2738.3 Ų38.314%0.14122%0.22CC..Hα-helixtrans-65.7-46.3173-172.566.2000111.3V169 L184 H187 L188 S194 L195V169-L191 HydrophobicContact CG1-CD1 4.42Å; L184-L191 HydrophobicContact CD2-CD2 3.91Å; H187-L191 PolarHBondContact O-N 2.93Å; L188-L191 PolarHBondContact O-N 3.37Å; L191-S194 PolarHBondContact O-N 2.87Å; L191-L195 VanDerWaalsContact O-CB 3.24Å; L191-L195 WeakPolarHBondContact O-CB 3.42Å; L191-L195 PolarHBondContact O-N 3.3Å
192V79.8Confident76.4Confident82 Ų8239.2 Ų39.250%0.49722%0.218SC..Hα-helixtrans-62.7-43.2175.7171.40000110.6L188 G196L188-V192 HydrophobicContact CD2-CG2 4.43Å; L188-V192 WeakPolarHBondContact O-CB 3.5Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.39Å; L188-V192 PolarHBondContact O-N 2.89Å; V192-G196 WeakPolarHBondContact O-CA 3.38Å; V192-G196 PolarHBondContact O-N 3.2Å
193G79Confident77.5Confident6 Ų641 Ų416%0.06222%0.223CC..Hα-helixtrans-59.1-52.6174.400000112.3S127 P189 W190 V197S127-G193 WeakPolarHBondContact OG-CA 3.19Å; P189-G193 PolarHBondContact O-N 2.73Å; W190-G193 PolarHBondContact O-N 2.72Å; G193-V197 VanDerWaalsContact O-CB 3.31Å; G193-V197 WeakPolarHBondContact O-CB 2.97Å; G193-V197 WeakPolarHBondContact O-CG2 3.29Å; G193-V197 PolarHBondContact O-N 3.41Å
194S81.2Confident78.4Confident10 Ų1040.4 Ų40.47%0.0722%0.221CC..Hα-helixtrans-62-51.2-179.71780000112.5N162 W190 L191 G196 V197 L198N162-S194 WeakPolarHBondContact CB-OG 3.45Å; N162-S194 PolarHBondContact O-OG 2.9Å; N162-S194 VanDerWaalsContact O-OG 3.07Å; W190-S194 VanDerWaalsContact O-CB 3.28Å; W190-S194 WeakPolarHBondContact O-CB 3.47Å; W190-S194 PolarHBondContact O-N 2.9Å; L191-S194 PolarHBondContact O-N 2.87Å; S194-G196 PolarHBondContact O-N 3.49Å; S194-V197 PolarHBondContact O-N 3.41Å; S194-L198 VanDerWaalsContact O-CB 3.29Å; S194-L198 WeakPolarHBondContact O-CB 3.46Å; S194-L198 PolarHBondContact O-N 3.07Å
195L82.1Confident79.3Confident103 Ų10337.3 Ų37.354%0.53921%0.206SC..Hα-helixtrans-66.6-40.3-178.1-171.7118.1000111.6L191 L198 L199L191-L195 VanDerWaalsContact O-CB 3.24Å; L191-L195 WeakPolarHBondContact O-CB 3.42Å; L191-L195 PolarHBondContact O-N 3.3Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 2.7Å; L195-L199 HydrophobicContact CD2-CD1 4.31Å; L195-L199 WeakPolarHBondContact O-CG 3.17Å; L195-L199 PolarHBondContact O-N 3.19Å
196G83.1Confident80.1Confident14 Ų1437.8 Ų37.814%0.14421%0.208CC..Hα-helixtrans-66.5-42.917700000112.4L131 V192 S194 L199 L200L131-G196 VanDerWaalsContact CD2-C 3.47Å; V192-G196 WeakPolarHBondContact O-CA 3.38Å; V192-G196 PolarHBondContact O-N 3.2Å; S194-G196 PolarHBondContact O-N 3.49Å; G196-L199 PolarHBondContact O-N 3.34Å; G196-L200 WeakPolarHBondContact O-CG 3.42Å; G196-L200 PolarHBondContact O-N 2.88Å; G196-L200 VanDerWaalsContact O-N 3.13Å
197V83.9Confident80.8Confident11 Ų1137.2 Ų37.27%0.06721%0.205CC..Hα-helixtrans-64-41.1173.3171.60000110.8L131 G193 S194 L199 L200 D201L131-V197 HydrophobicContact CD2-CG2 4.5Å; G193-V197 VanDerWaalsContact O-CB 3.31Å; G193-V197 WeakPolarHBondContact O-CB 2.97Å; G193-V197 WeakPolarHBondContact O-CG2 3.29Å; G193-V197 PolarHBondContact O-N 3.41Å; S194-V197 PolarHBondContact O-N 3.41Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 3.3Å; V197-L200 PolarHBondContact O-N 2.92Å; V197-D201 WeakPolarHBondContact CG1-OD2 3.37Å; V197-D201 WeakPolarHBondContact O-CB 3.44Å; V197-D201 VanDerWaalsContact O-CG 3.28Å; V197-D201 PolarHBondContact O-N 3.22Å
198L84.6Confident81.3Confident39 Ų3938.2 Ų38.220%0.20421%0.21CC..Hα-helixtrans-58.7-41.6176.1-17766.4000112.4M159 N162 S194 L195 T202M159-L198 HydrophobicContact CB-CD1 3.92Å; M159-L198 HydrophobicContact CE-CD1 4.28Å; M159-L198 HydrophobicContact CG-CD1 4.14Å; N162-L198 HydrophobicContact CB-CB 4.44Å; N162-L198 HydrophobicContact CB-CD1 4.49Å; S194-L198 VanDerWaalsContact O-CB 3.29Å; S194-L198 WeakPolarHBondContact O-CB 3.46Å; S194-L198 PolarHBondContact O-N 3.07Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 2.7Å; L198-T202 WeakPolarHBondContact O-CB 3.36Å; L198-T202 PolarHBondContact O-N 2.88Å; L198-T202 PolarHBondContact O-OG1 2.84Å
199L86.3Confident81.6Confident107 Ų10740.4 Ų40.456%0.5622%0.221SC*.Hα-helixtrans-62.5-47174.6-77.4170.4000111.7L195 G196 V197 T202 I203L195-L199 HydrophobicContact CD2-CD1 4.31Å; L195-L199 WeakPolarHBondContact O-CG 3.17Å; L195-L199 PolarHBondContact O-N 3.19Å; G196-L199 PolarHBondContact O-N 3.34Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 3.3Å; L199-T202 WeakPolarHBondContact O-CB 3.41Å; L199-T202 PolarHBondContact O-N 3.21Å; L199-I203 WeakPolarHBondContact O-CG1 3.35Å; L199-I203 PolarHBondContact O-N 3.3Å; L199-I203 VanDerWaalsContact O-N 3.15Å
200L83.1Confident82Confident26 Ų2644 Ų4414%0.13624%0.243CC..Hα-helixtrans-65-41.1178.9-64.9-178.3000112.1L131 R134 L135 I138 G196 V197 T202 I203 I204L131-L200 HydrophobicContact CD2-CD1 3.66Å; L131-L200 HydrophobicContact CD2-CG 4.38Å; L131-L200 WeakPolarHBondContact O-CD1 3.37Å; R134-L200 HydrophobicContact CB-CB 4.14Å; R134-L200 HydrophobicContact CB-CD1 3.75Å; R134-L200 HydrophobicContact CG-CD1 4.46Å; L135-L200 HydrophobicContact CD2-CD1 4.48Å; L135-L200 HydrophobicContact CD2-CD2 4.21Å; I138-L200 HydrophobicContact CD1-CB 4.21Å; I138-L200 HydrophobicContact CD1-CD2 3.99Å; G196-L200 WeakPolarHBondContact O-CG 3.42Å; G196-L200 PolarHBondContact O-N 2.88Å; G196-L200 VanDerWaalsContact O-N 3.13Å; V197-L200 PolarHBondContact O-N 2.92Å; L200-T202 VanDerWaalsContact C-N 3.28Å; L200-T202 PolarHBondContact O-N 2.67Å; L200-I203 HydrophobicContact CD2-CD1 4.33Å; L200-I203 WeakPolarHBondContact O-CB 3.25Å; L200-I203 PolarHBondContact O-N 3.18Å; L200-I203 VanDerWaalsContact O-N 3.16Å; L200-I204 WeakPolarHBondContact O-CG1 3.43Å; L200-I204 PolarHBondContact O-N 3.36Å
201D84.3Confident82.3Confident0 Ų044.5 Ų44.50%025%0.245CC..Hα-helixtrans-67-31.1177.5-70.9-8.9000111.5R134 F155 M159 V197 I204 S205R134-D201 WeakPolarHBondContact CD-OD1 3.46Å; R134-D201 IonicContact NE-OD1 3.04Å; R134-D201 PolarHBondContact NE-OD1 2.82Å; F155-D201 HydrophobicContact CD1-CB 4.18Å; F155-D201 WeakPolarHBondContact CE1-OD1 3.34Å; M159-D201 HydrophobicContact CG-CB 3.54Å; M159-D201 HydrophobicContact SD-CB 3.94Å; V197-D201 WeakPolarHBondContact CG1-OD2 3.37Å; V197-D201 WeakPolarHBondContact O-CB 3.44Å; V197-D201 VanDerWaalsContact O-CG 3.28Å; V197-D201 PolarHBondContact O-N 3.22Å; D201-I204 PolarHBondContact O-N 2.98Å; D201-S205 WeakPolarHBondContact O-CB 3.4Å; D201-S205 PolarHBondContact O-N 2.81Å; D201-S205 PolarHBondContact O-OG 2.96Å
202T84.3Confident82.1Confident56 Ų5651.4 Ų51.434%0.34427%0.269SS..Hα-helixtrans-64.1-42.7170.6-57.20000111.4M159 L198 L199 L200 I204 S205 I206M159-T202 WeakPolarHBondContact CE-OG1 3.43Å; L198-T202 WeakPolarHBondContact O-CB 3.36Å; L198-T202 PolarHBondContact O-N 2.88Å; L198-T202 PolarHBondContact O-OG1 2.84Å; L199-T202 WeakPolarHBondContact O-CB 3.41Å; L199-T202 PolarHBondContact O-N 3.21Å; L200-T202 VanDerWaalsContact C-N 3.28Å; L200-T202 PolarHBondContact O-N 2.67Å; T202-I204 VanDerWaalsContact C-N 3.34Å; T202-I204 PolarHBondContact O-N 3.26Å; T202-S205 WeakPolarHBondContact O-CB 3.49Å; T202-S205 PolarHBondContact O-N 3.02Å; T202-I206 HydrophobicContact CG2-CD1 4.32Å; T202-I206 WeakPolarHBondContact O-CG1 3.13Å; T202-I206 PolarHBondContact O-N 3.04Å
203I84.7Confident81.7Confident78 Ų7857.2 Ų57.240%0.428%0.282SS..Hα-helixtrans-61.1-44.4175.2-64.7168000110.6I138 L199 L200 S205 I206 Q207I138-I203 HydrophobicContact CD1-CG2 4.43Å; I138-I203 HydrophobicContact CG2-CG2 4.32Å; L199-I203 WeakPolarHBondContact O-CG1 3.35Å; L199-I203 PolarHBondContact O-N 3.3Å; L199-I203 VanDerWaalsContact O-N 3.15Å; L200-I203 HydrophobicContact CD2-CD1 4.33Å; L200-I203 WeakPolarHBondContact O-CB 3.25Å; L200-I203 PolarHBondContact O-N 3.18Å; L200-I203 VanDerWaalsContact O-N 3.16Å; I203-S205 VanDerWaalsContact C-N 3.3Å; I203-S205 PolarHBondContact O-N 3.19Å; I203-I206 PolarHBondContact O-N 2.82Å; I203-Q207 WeakPolarHBondContact O-CG 3.42Å; I203-Q207 PolarHBondContact O-N 3.11Å
204I83Confident81.1Confident5 Ų560.6 Ų60.63%0.02630%0.304CS..Hα-helixtrans-61.8-40.9176.7-65.6168000110.7I138 F155 L200 D201 T202 I206 Q207 F208I138-I204 HydrophobicContact CD1-CD1 4.37Å; I138-I204 HydrophobicContact CD1-CG1 4.13Å; I138-I204 HydrophobicContact CG1-CD1 3.85Å; I138-I204 HydrophobicContact CG1-CG1 3.44Å; I138-I204 VanDerWaalsContact CG1-CG1 3.44Å; F155-I204 HydrophobicContact CD1-CD1 4.5Å; F155-I204 HydrophobicContact CD1-CG2 4.21Å; F155-I204 HydrophobicContact CE1-CB 4.33Å; F155-I204 HydrophobicContact CE1-CD1 3.55Å; F155-I204 HydrophobicContact CE1-CG2 3.99Å; F155-I204 HydrophobicContact CZ-CD1 3.96Å; F155-I204 HydrophobicContact CZ-CG2 4.18Å; L200-I204 WeakPolarHBondContact O-CG1 3.43Å; L200-I204 PolarHBondContact O-N 3.36Å; D201-I204 PolarHBondContact O-N 2.98Å; T202-I204 VanDerWaalsContact C-N 3.34Å; T202-I204 PolarHBondContact O-N 3.26Å; I204-I206 PolarHBondContact O-N 3.08Å; I204-Q207 WeakPolarHBondContact O-CB 3.24Å; I204-Q207 PolarHBondContact O-N 3.42Å; I204-F208 PolarHBondContact O-N 3.4Å
205S83Confident80.4Confident10 Ų1063.1 Ų63.17%0.0732%0.32CS..Hα-helixtrans-63.1-41.4177.2-63.20000112.2M159 D201 T202 I203 F208 L209M159-S205 PolarHBondContact SD-OG 3.19Å; D201-S205 WeakPolarHBondContact O-CB 3.4Å; D201-S205 PolarHBondContact O-N 2.81Å; D201-S205 PolarHBondContact O-OG 2.96Å; T202-S205 WeakPolarHBondContact O-CB 3.49Å; T202-S205 PolarHBondContact O-N 3.02Å; I203-S205 VanDerWaalsContact C-N 3.3Å; I203-S205 PolarHBondContact O-N 3.19Å; S205-F208 WeakPolarHBondContact O-CB 3.29Å; S205-F208 PolarHBondContact O-N 3.14Å; S205-L209 WeakPolarHBondContact O-CG 3.34Å; S205-L209 PolarHBondContact O-N 3.36Å; S205-L209 VanDerWaalsContact O-N 3.08Å
206I84Confident79.5Confident99 Ų9961 Ų6151%0.50832%0.317SS..Hα-helixtrans-61.3-46.8173.4-67.5166.1000110.5T202 I203 I204 F208 L209 V210T202-I206 HydrophobicContact CG2-CD1 4.32Å; T202-I206 WeakPolarHBondContact O-CG1 3.13Å; T202-I206 PolarHBondContact O-N 3.04Å; I203-I206 PolarHBondContact O-N 2.82Å; I204-I206 PolarHBondContact O-N 3.08Å; I206-F208 PolarHBondContact O-N 3.11Å; I206-L209 PolarHBondContact O-N 2.88Å; I206-V210 HydrophobicContact CG2-CG2 4.33Å; I206-V210 WeakPolarHBondContact O-CG2 3.22Å; I206-V210 PolarHBondContact O-N 3.19Å
207Q81.8Confident78.6Confident22 Ų2263.1 Ų63.110%0.10333%0.333CS..Hα-helixtrans-58.1-39176.3-71.3-177.7-3.100112I203 I204 V210 Y211I203-Q207 WeakPolarHBondContact O-CG 3.42Å; I203-Q207 PolarHBondContact O-N 3.11Å; I204-Q207 WeakPolarHBondContact O-CB 3.24Å; I204-Q207 PolarHBondContact O-N 3.42Å; Q207-V210 PolarHBondContact O-N 3.31Å; Q207-Y211 HydrophobicContact CB-CD2 4.3Å; Q207-Y211 HydrophobicContact CB-CE2 3.97Å; Q207-Y211 HydrophobicContact CG-CE2 4.37Å; Q207-Y211 WeakPolarHBondContact O-CB 3.46Å; Q207-Y211 VanDerWaalsContact O-CD2 3.23Å; Q207-Y211 WeakPolarHBondContact O-CD2 3.4Å; Q207-Y211 PolarHBondContact O-N 2.88Å
208F79.4Confident77.7Confident34 Ų3466.7 Ų66.715%0.14936%0.358CS..Hα-helixtrans-63-45.2177.9-160.7-84.7000112.2T147 Y152 I204 S205 I206 R212T147-F208 VanDerWaalsContact CB-CD2 3.43Å; T147-F208 HydrophobicContact CG2-CB 4.28Å; T147-F208 HydrophobicContact CG2-CD2 3.69Å; T147-F208 HydrophobicContact CG2-CE2 4.39Å; T147-F208 HydrophobicContact CG2-CG 4.28Å; T147-F208 WeakPolarHBondContact OG1-CD2 3.26Å; T147-F208 VanDerWaalsContact OG1-CE2 3.32Å; T147-F208 WeakPolarHBondContact OG1-CE2 3.29Å; Y152-F208 HydrophobicContact CD2-CB 4.15Å; Y152-F208 AromaticContact CD2-CD1 3.71Å; Y152-F208 HydrophobicContact CD2-CD1 3.71Å; Y152-F208 HydrophobicContact CD2-CD2 4.31Å; Y152-F208 HydrophobicContact CD2-CE1 4.21Å; Y152-F208 AromaticContact CD2-CG 3.79Å; Y152-F208 HydrophobicContact CD2-CG 3.79Å; Y152-F208 HydrophobicContact CE2-CB 4.42Å; Y152-F208 HydrophobicContact CE2-CD1 4.37Å; Y152-F208 HydrophobicContact CE2-CG 4.48Å; Y152-F208 HydrophobicContact CG-CD1 4.09Å; Y152-F208 HydrophobicContact CG-CE1 4.12Å; Y152-F208 HydrophobicContact CG-CG 4.49Å; I204-F208 PolarHBondContact O-N 3.4Å; S205-F208 WeakPolarHBondContact O-CB 3.29Å; S205-F208 PolarHBondContact O-N 3.14Å; I206-F208 PolarHBondContact O-N 3.11Å; F208-R212 WeakPolarHBondContact O-CB 3.15Å; F208-R212 PolarHBondContact O-N 3.04Å
209L81.3Confident76.7Confident101 Ų10172 Ų7253%0.52938%0.383SS..Hα-helixtrans-65.3-41.5177.4-66.6177.1000112.1S205 I206 R213S205-L209 WeakPolarHBondContact O-CG 3.34Å; S205-L209 PolarHBondContact O-N 3.36Å; S205-L209 VanDerWaalsContact O-N 3.08Å; I206-L209 PolarHBondContact O-N 2.88Å; L209-R213 WeakPolarHBondContact O-CB 3.26Å; L209-R213 PolarHBondContact O-N 2.85Å
210V83.4Confident75.5Confident84 Ų8474.3 Ų74.351%0.50939%0.394SS..Hα-helixtrans-66.1-48.81801720000111.3I206 Q207 R213 S214I206-V210 HydrophobicContact CG2-CG2 4.33Å; I206-V210 WeakPolarHBondContact O-CG2 3.22Å; I206-V210 PolarHBondContact O-N 3.19Å; Q207-V210 PolarHBondContact O-N 3.31Å; V210-R213 PolarHBondContact O-N 3.37Å; V210-S214 PolarHBondContact O-N 3.44Å; V210-S214 VanDerWaalsContact O-N 3.14Å
211Y79.2Confident74.7Confident20 Ų2081 Ų818%0.07843%0.425CS..Hα-helixtrans-72.2-34.2-177.4-60.6-33.9000112.8N141 K145 T147 Q207 R213 S214 T215N141-Y211 WeakPolarHBondContact O-CE2 3.43Å; K145-Y211 HydrophobicContact CB-CE1 4.34Å; K145-Y211 HydrophobicContact CD-CE1 3.72Å; T147-Y211 HydrophobicContact CG2-CD2 3.93Å; Q207-Y211 HydrophobicContact CB-CD2 4.3Å; Q207-Y211 HydrophobicContact CB-CE2 3.97Å; Q207-Y211 HydrophobicContact CG-CE2 4.37Å; Q207-Y211 WeakPolarHBondContact O-CB 3.46Å; Q207-Y211 VanDerWaalsContact O-CD2 3.23Å; Q207-Y211 WeakPolarHBondContact O-CD2 3.4Å; Q207-Y211 PolarHBondContact O-N 2.88Å; Y211-R213 VanDerWaalsContact C-N 3.3Å; Y211-R213 PolarHBondContact O-N 3.32Å; Y211-S214 PolarHBondContact O-N 2.79Å; Y211-T215 PolarHBondContact O-N 3.32Å; Y211-T215 VanDerWaalsContact O-N 3.1Å; Y211-T215 PolarHBondContact O-OG1 2.93Å
212R72.4Confident73.7Confident172 Ų17285.6 Ų85.665%0.64946%0.455SS*.Hα-helixtrans-60.5-39.8171.7-179.9176163.2-179.1-4.5112.2F208 A216F208-R212 WeakPolarHBondContact O-CB 3.15Å; F208-R212 PolarHBondContact O-N 3.04Å; R212-A216 PolarHBondContact O-N 3.23Å
213R70.8Confident72.6Confident204 Ų20491.1 Ų91.177%0.7748%0.481SS*.Hα-helixtrans-67.6-37.4177.4-167.1177.2-177.8179.80.4112L209 V210 Y211 A216 A217L209-R213 WeakPolarHBondContact O-CB 3.26Å; L209-R213 PolarHBondContact O-N 2.85Å; V210-R213 PolarHBondContact O-N 3.37Å; Y211-R213 VanDerWaalsContact C-N 3.3Å; Y211-R213 PolarHBondContact O-N 3.32Å; R213-A216 PolarHBondContact O-N 3.16Å; R213-A217 WeakPolarHBondContact O-CB 3.37Å; R213-A217 PolarHBondContact O-N 2.98Å
214S66.9Low71.5Confident77 Ų7795.4 Ų95.454%0.53850%0.504SS..Hα-helixtrans-65.4-41.4177-166.10000112.5V210 Y211 A217 S218V210-S214 PolarHBondContact O-N 3.44Å; V210-S214 VanDerWaalsContact O-N 3.14Å; Y211-S214 PolarHBondContact O-N 2.79Å; S214-A217 PolarHBondContact O-N 2.81Å; S214-S218 PolarHBondContact O-N 3.49Å; S214-S218 VanDerWaalsContact O-N 3.09Å
215T66.8Low70.6Confident64 Ų64100.9 Ų100.939%0.39354%0.54SS..Hα-helixtrans-64.4-46.5176-52.20000111.2Y211 A217 S218 E219Y211-T215 PolarHBondContact O-N 3.32Å; Y211-T215 VanDerWaalsContact O-N 3.1Å; Y211-T215 PolarHBondContact O-OG1 2.93Å; T215-A217 VanDerWaalsContact C-N 3.3Å; T215-A217 PolarHBondContact O-N 2.84Å; T215-S218 PolarHBondContact O-N 2.99Å; T215-E219 PolarHBondContact O-N 3.13Å
216A63.7Low69.7Low57 Ų57109.4 Ų109.447%0.47160%0.6SS.*Hα-helixtrans-62.8-34.6178.300000113.2R212 R213 L220R212-A216 PolarHBondContact O-N 3.23Å; R213-A216 PolarHBondContact O-N 3.16Å; A216-L220 PolarHBondContact O-N 2.75Å
217A63.7Low68.9Low60 Ų60109.9 Ų109.950%0.49660%0.604SS.*Hα-helixtrans-69.7-41175.400000112.3R213 S214 T215 L220R213-A217 WeakPolarHBondContact O-CB 3.37Å; R213-A217 PolarHBondContact O-N 2.98Å; S214-A217 PolarHBondContact O-N 2.81Å; T215-A217 VanDerWaalsContact C-N 3.3Å; T215-A217 PolarHBondContact O-N 2.84Å; A217-L220 WeakPolarHBondContact O-CB 3.29Å; A217-L220 PolarHBondContact O-N 3.23Å
218S64.9Low68.3Low85 Ų85114.5 Ų114.559%0.59463%0.631SS**Hα-helixtrans-68.7-33178-175.90000113.1S214 T215 L220 E221S214-S218 PolarHBondContact O-N 3.49Å; S214-S218 VanDerWaalsContact O-N 3.09Å; T215-S218 PolarHBondContact O-N 2.99Å; S218-L220 VanDerWaalsContact C-N 3.28Å; S218-E221 PolarHBondContact O-N 3.48Å
219E63.1Low67.7Low152 Ų152119 Ų11971%0.7166%0.657SS**Hα-helixtrans-71.3-23.8174.7-73.1-178171.400112.6T215 E221T215-E219 PolarHBondContact O-N 3.13Å; E219-E221 VanDerWaalsContact C-N 3.3Å
220L62.5Low66.9Low155 Ų155120.1 Ų120.181%0.81267%0.665SS**THydrogen-bonded Turntrans-78.6-13.9177.4-148.986.5000112.8A216 A217 S218A216-L220 PolarHBondContact O-N 2.75Å; A217-L220 WeakPolarHBondContact O-CB 3.29Å; A217-L220 PolarHBondContact O-N 3.23Å; S218-L220 VanDerWaalsContact C-N 3.28Å
221E65.8Low65.8Low165 Ų165122.3 Ų122.377%0.77168%0.675SS**SBendtrans-105.550.3-171.8-157.5-167.4159.600113.2S218 E219S218-E221 PolarHBondContact O-N 3.48Å; E219-E221 VanDerWaalsContact C-N 3.3Å
222P62.5Low64.9Low98 Ų98129.1 Ų129.164%0.63671%0.714SS**  -155.5107.413032.3-11000114.7
223L61.9Low64.4Low171 Ų171126.1 Ų126.190%0.89572%0.719SS**  trans-151.820152.6-81.8-171.6000113.3P225L223-P225 WeakPolarHBondContact O-CD 3.5Å
224L62.3Low63.9Low168 Ų168120.1 Ų120.188%0.8872%0.715SS**  trans-97.8109.3167.1-73.3173.9000108.3S226L224-S226 PolarHBondContact O-N 3.23Å
225P64.3Low63.7Low121 Ų121123.7 Ų123.779%0.78673%0.73SS**  trans-65.3133.9169.624.2-23.3000108.6L223L223-P225 WeakPolarHBondContact O-CD 3.5Å
226S62.5Low63.4Low188 Ų188129.1 Ų129.1100%1.31576%0.761SS**  trans-58.90172540000113L224L224-S226 PolarHBondContact O-N 3.23Å

Retrieved 226 of 226 residues in 201.9 ms (Link to these results)