A0A087YN80_POEFO Loading...

Cyclosome subunit 8

AlphaFold DB , UniProt , Accession A0A087YN80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 575 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.4Very low44.6Very low230 Ų230108 Ų108100%1.13362%0.616SS**  0-28.50-87-176.5171.600115.5
2K30.3Very low47.9Very low199 Ų199106.2 Ų106.287%0.86560%0.603SS**  trans-77.7-15.1-179.8-83.8-177.6176178.70116.8
3M34.1Very low51Low128 Ų128102.7 Ų102.763%0.63158%0.581SS**SBendtrans-90.2-15.9178-83.6-152.2148.900115.2
4A34.6Very low53.6Low69 Ų6997.9 Ų97.957%0.5756%0.56SS**G310 helixtrans-78.3-21.5-175.900000113.6
5A34.9Very low56Low86 Ų8695.7 Ų95.771%0.71154%0.543SS*.G310 helixtrans-90.6-1.2-173.400000114.9
6L43.3Very low58.2Low113 Ų11390.1 Ų90.159%0.59251%0.511SS*.G310 helixtrans-110.89-175.7-97.4143000113.6
7C48Very low60.2Low5 Ų586.1 Ų86.13%0.03449%0.487CS..  trans-112.43.3-168.6-78.80000115C211 W212C7-C211 HydrophobicContact CB-CB 3.75Å; C7-C211 CarbonylContact O-C 3.54Å; C7-C211 VanDerWaalsContact O-CA 3.32Å; C7-C211 WeakPolarHBondContact O-CA 3.41Å; C7-W212 PolarHBondContact O-N 3.39Å
8S48.8Very low61.9Low75 Ų7584.3 Ų84.352%0.52447%0.473SS..SBendtrans-82.6-16.3-162.8570000115.9
9E56.3Low63.4Low158 Ų15880.9 Ų80.974%0.73845%0.453SS*.  trans-139.5147.7-179.7-67.9-176.1173.200112.5G11E9-G11 PolarHBondContact O-N 3.23Å
10F64.9Low64.9Low53 Ų5377.1 Ų77.123%0.23243%0.431CS..THydrogen-bonded Turntrans-65.711171.7-73.2-81.7000113.9D12 I16 W212 D215 F216 L238 A241 F243F10-D12 VanDerWaalsContact C-N 3.26Å; F10-D12 PolarHBondContact O-N 3.49Å; F10-D12 VanDerWaalsContact O-N 3.13Å; F10-I16 HydrophobicContact CD1-CD1 3.95Å; F10-W212 HydrophobicContact CD1-CB 4.43Å; F10-W212 HydrophobicContact CE1-CB 4.05Å; F10-W212 HydrophobicContact CE1-CE3 4.42Å; F10-W212 HydrophobicContact CE2-CB 4.41Å; F10-W212 HydrophobicContact CZ-CB 4.02Å; F10-D215 HydrophobicContact CE2-CB 4.25Å; F10-D215 WeakPolarHBondContact CE2-OD2 3.49Å; F10-D215 HydrophobicContact CZ-CB 4.16Å; F10-F216 HydrophobicContact CE1-CE2 4.36Å; F10-L238 HydrophobicContact CE1-CD2 3.87Å; F10-L238 HydrophobicContact CE2-CD2 4.26Å; F10-L238 HydrophobicContact CZ-CD2 3.4Å; F10-A241 HydrophobicContact CB-CB 4.37Å; F10-A241 HydrophobicContact CD1-CB 4.05Å; F10-A241 HydrophobicContact CG-CB 4.13Å; F10-F243 HydrophobicContact CD1-CE2 4.1Å; F10-F243 AromaticContact CE1-CE2 3.84Å; F10-F243 HydrophobicContact CE1-CE2 3.84Å
11G63.1Low66.2Low72 Ų7275.9 Ų75.974%0.74242%0.423SS*.THydrogen-bonded Turntrans-64.6-19.5-166.100000115.9E9E9-G11 PolarHBondContact O-N 3.23Å
12D84.6Confident68.9Low86 Ų8666.4 Ų66.446%0.4638%0.38SS..  trans-136.697.7175-173.3-2.5000112.3F10 A14 Q15 I16F10-D12 VanDerWaalsContact C-N 3.26Å; F10-D12 PolarHBondContact O-N 3.49Å; F10-D12 VanDerWaalsContact O-N 3.13Å; D12-A14 PolarHBondContact O-N 3.17Å; D12-A14 WeakPolarHBondContact OD1-CA 3.48Å; D12-A14 VanDerWaalsContact OD1-CB 3.27Å; D12-A14 WeakPolarHBondContact OD1-CB 3.29Å; D12-A14 PolarHBondContact OD1-N 3.13Å; D12-Q15 HydrophobicContact CB-CB 3.93Å; D12-Q15 PolarHBondContact O-N 2.81Å; D12-Q15 VanDerWaalsContact O-N 3.16Å; D12-Q15 PolarHBondContact OD1-N 2.85Å; D12-I16 PolarHBondContact O-N 2.63Å
13L87.6Confident71.9Confident61 Ų6157.2 Ų57.232%0.31934%0.34SS..Hα-helixtrans-61-30.1176.1-65.9176.4000112.9I16 K17 L46 A241 F243L13-I16 HydrophobicContact CD2-CD1 4.41Å; L13-I16 PolarHBondContact O-N 3.39Å; L13-K17 WeakPolarHBondContact O-CB 3.22Å; L13-K17 PolarHBondContact O-N 3.14Å; L13-L46 HydrophobicContact CD2-CD2 4.02Å; L13-A241 WeakPolarHBondContact CD1-O 3.46Å; L13-A241 WeakPolarHBondContact CD2-O 3.5Å; L13-F243 HydrophobicContact CD2-CE2 4.44Å
14A87.9Confident74.7Confident35 Ų3552 Ų5229%0.28932%0.315SS..Hα-helixtrans-68.1-41.1177.200000110.3D12 K17 K18 L49D12-A14 PolarHBondContact O-N 3.17Å; D12-A14 WeakPolarHBondContact OD1-CA 3.48Å; D12-A14 VanDerWaalsContact OD1-CB 3.27Å; D12-A14 WeakPolarHBondContact OD1-CB 3.29Å; D12-A14 PolarHBondContact OD1-N 3.13Å; A14-K17 PolarHBondContact O-N 3.04Å; A14-K18 WeakPolarHBondContact O-CG 3.39Å; A14-K18 PolarHBondContact O-N 2.86Å; A14-L49 HydrophobicContact CB-CD2 3.72Å
15Q89.2Confident77.4Confident65 Ų6550.5 Ų50.530%0.30430%0.3SS..Hα-helixtrans-65.9-41.6175.1-173.465.2-1.400112.1D12 K17 K18 Q19D12-Q15 HydrophobicContact CB-CB 3.93Å; D12-Q15 PolarHBondContact O-N 2.81Å; D12-Q15 VanDerWaalsContact O-N 3.16Å; D12-Q15 PolarHBondContact OD1-N 2.85Å; Q15-K17 VanDerWaalsContact C-N 3.29Å; Q15-K17 PolarHBondContact O-N 2.61Å; Q15-K18 PolarHBondContact O-N 2.93Å; Q15-Q19 WeakPolarHBondContact O-CG 3.39Å; Q15-Q19 PolarHBondContact O-N 3.5Å
16I90.5Very high80.1Confident6 Ų648.6 Ų48.63%0.03128%0.278CS..Hα-helixtrans-59.3-43173.9-68.2173.6000110.6F10 D12 L13 K18 Q19 L20 L46 W212 F243F10-I16 HydrophobicContact CD1-CD1 3.95Å; D12-I16 PolarHBondContact O-N 2.63Å; L13-I16 HydrophobicContact CD2-CD1 4.41Å; L13-I16 PolarHBondContact O-N 3.39Å; I16-K18 PolarHBondContact O-N 3.25Å; I16-Q19 WeakPolarHBondContact O-CB 3.48Å; I16-Q19 PolarHBondContact O-N 3.1Å; I16-L20 HydrophobicContact CG2-CD1 4.09Å; I16-L20 WeakPolarHBondContact O-CG 3.27Å; I16-L20 PolarHBondContact O-N 2.76Å; I16-L46 HydrophobicContact CG2-CD1 4.2Å; I16-W212 HydrophobicContact CD1-CD2 4.46Å; I16-W212 HydrophobicContact CD1-CG 4.38Å; I16-W212 HydrophobicContact CG2-CD2 4.28Å; I16-W212 HydrophobicContact CG2-CE3 4.4Å; I16-W212 HydrophobicContact CG2-CH2 3.85Å; I16-W212 HydrophobicContact CG2-CZ2 3.69Å; I16-W212 HydrophobicContact CG2-CZ3 4.19Å; I16-F243 HydrophobicContact CG2-CZ 4.13Å
17K92.1Very high82.5Confident23 Ų2343.3 Ų43.310%0.125%0.25CC..Hα-helixtrans-62.9-40.5176.2-173.1161.2-178.4156.70112.6L13 A14 Q15 L20 I21 A43 L46 D47 L49L13-K17 WeakPolarHBondContact O-CB 3.22Å; L13-K17 PolarHBondContact O-N 3.14Å; A14-K17 PolarHBondContact O-N 3.04Å; Q15-K17 VanDerWaalsContact C-N 3.29Å; Q15-K17 PolarHBondContact O-N 2.61Å; K17-L20 PolarHBondContact O-N 3.06Å; K17-I21 HydrophobicContact CG-CD1 4.02Å; K17-I21 VanDerWaalsContact O-CG1 3.26Å; K17-I21 WeakPolarHBondContact O-CG1 3.41Å; K17-I21 PolarHBondContact O-N 3.4Å; K17-A43 VanDerWaalsContact CE-O 3.3Å; K17-A43 WeakPolarHBondContact CE-O 3.43Å; K17-A43 PolarHBondContact NZ-O 3.31Å; K17-L46 HydrophobicContact CB-CD1 3.93Å; K17-L46 HydrophobicContact CD-CB 3.92Å; K17-L46 PolarHBondContact NZ-O 3.38Å; K17-D47 WeakPolarHBondContact CD-O 3.49Å; K17-D47 WeakPolarHBondContact CE-O 3.26Å; K17-D47 VanDerWaalsContact NZ-C 3.25Å; K17-D47 PolarHBondContact NZ-O 2.93Å; K17-L49 HydrophobicContact CB-CD1 4.13Å; K17-L49 HydrophobicContact CB-CG 4.41Å; K17-L49 HydrophobicContact CD-CD1 4.3Å; K17-L49 HydrophobicContact CD-CG 3.94Å; K17-L49 HydrophobicContact CG-CD1 3.9Å; K17-L49 HydrophobicContact CG-CG 4.1Å
18K91Very high84.5Confident54 Ų5448.8 Ų48.824%0.23527%0.273CS..Hα-helixtrans-61.6-43.7173.8-66.5-178.9-159.2-164.10111.7A14 Q15 I16 I21 S22 L49 N53A14-K18 WeakPolarHBondContact O-CG 3.39Å; A14-K18 PolarHBondContact O-N 2.86Å; Q15-K18 PolarHBondContact O-N 2.93Å; I16-K18 PolarHBondContact O-N 3.25Å; K18-I21 PolarHBondContact O-N 2.82Å; K18-S22 PolarHBondContact O-N 3.31Å; K18-L49 HydrophobicContact CG-CD1 3.61Å; K18-N53 WeakPolarHBondContact CD-O 3.48Å; K18-N53 WeakPolarHBondContact CE-O 3.4Å; K18-N53 PolarHBondContact NZ-O 3.13Å
19Q91.2Very high86.5Confident19 Ų1948.6 Ų48.69%0.08926%0.264CS..Hα-helixtrans-60.1-47.4175.9-71.8177.3-1.500111.2Q15 I16 I21 S22 V23 L185Q15-Q19 WeakPolarHBondContact O-CG 3.39Å; Q15-Q19 PolarHBondContact O-N 3.5Å; I16-Q19 WeakPolarHBondContact O-CB 3.48Å; I16-Q19 PolarHBondContact O-N 3.1Å; Q19-I21 PolarHBondContact O-N 2.85Å; Q19-S22 PolarHBondContact O-N 2.89Å; Q19-S22 PolarHBondContact O-OG 3.22Å; Q19-V23 VanDerWaalsContact O-CG2 3.26Å; Q19-V23 WeakPolarHBondContact O-CG2 3.3Å; Q19-V23 PolarHBondContact O-N 3.32Å; Q19-V23 VanDerWaalsContact O-N 3.08Å; Q19-L185 HydrophobicContact CB-CD1 4.04Å; Q19-L185 HydrophobicContact CB-CD2 4.45Å; Q19-L185 HydrophobicContact CG-CD1 4.44Å
20L92.5Very high88.2Confident5 Ų542 Ų423%0.02623%0.232CC..Hα-helixtrans-58.4-47.2176-78.1168.8000112I16 K17 S22 V23 I24 A39 L42 A43 L46 W212I16-L20 HydrophobicContact CG2-CD1 4.09Å; I16-L20 WeakPolarHBondContact O-CG 3.27Å; I16-L20 PolarHBondContact O-N 2.76Å; K17-L20 PolarHBondContact O-N 3.06Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 3.35Å; L20-V23 PolarHBondContact O-N 3.44Å; L20-V23 VanDerWaalsContact O-N 3.15Å; L20-I24 WeakPolarHBondContact O-CD1 3.35Å; L20-I24 WeakPolarHBondContact O-CG1 3.17Å; L20-I24 PolarHBondContact O-N 2.9Å; L20-A39 HydrophobicContact CD2-CB 4.09Å; L20-L42 HydrophobicContact CD1-CB 4.08Å; L20-L42 HydrophobicContact CD2-CB 4.45Å; L20-A43 HydrophobicContact CB-CB 3.99Å; L20-A43 HydrophobicContact CD1-CB 4.21Å; L20-L46 HydrophobicContact CD1-CD1 4.21Å; L20-W212 HydrophobicContact CD1-CH2 4.24Å; L20-W212 HydrophobicContact CD2-CH2 3.83Å; L20-W212 HydrophobicContact CD2-CZ2 4.46Å; L20-W212 HydrophobicContact CG-CH2 3.94Å; L20-W212 HydrophobicContact CG-CZ2 4.32Å
21I92.1Very high89.5Confident52 Ų5239.5 Ų39.527%0.26722%0.222SC..Hα-helixtrans-58.6-43.9177.6-67.7164.8000111.3K17 K18 Q19 V23 I24 S25 L49 L54 P55K17-I21 HydrophobicContact CG-CD1 4.02Å; K17-I21 VanDerWaalsContact O-CG1 3.26Å; K17-I21 WeakPolarHBondContact O-CG1 3.41Å; K17-I21 PolarHBondContact O-N 3.4Å; K18-I21 PolarHBondContact O-N 2.82Å; Q19-I21 PolarHBondContact O-N 2.85Å; I21-V23 VanDerWaalsContact C-N 3.29Å; I21-V23 PolarHBondContact O-N 3.48Å; I21-I24 PolarHBondContact O-N 3.43Å; I21-S25 PolarHBondContact O-N 2.87Å; I21-S25 VanDerWaalsContact O-N 3.16Å; I21-L49 HydrophobicContact CD1-CD1 4.04Å; I21-L54 HydrophobicContact CD1-CD2 4.15Å; I21-P55 HydrophobicContact CB-CG 3.98Å; I21-P55 HydrophobicContact CG2-CG 3.63Å
22S91Very high91Very high31 Ų3136.3 Ų36.322%0.21719%0.188CC..Hα-helixtrans-62.9-35.617874.20000112.8K18 Q19 L20 S25 L26K18-S22 PolarHBondContact O-N 3.31Å; Q19-S22 PolarHBondContact O-N 2.89Å; Q19-S22 PolarHBondContact O-OG 3.22Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 3.35Å; S22-S25 PolarHBondContact O-OG 3.17Å; S22-L26 VanDerWaalsContact O-CG 3.25Å; S22-L26 WeakPolarHBondContact O-CG 3.4Å; S22-L26 PolarHBondContact O-N 2.84Å
23V91.8Very high91.4Very high5 Ų537.8 Ų37.83%0.0320%0.195CC..Hα-helixtrans-77.9-34-179.7175.20000110.8Q19 L20 I21 S25 L26 C27 L185Q19-V23 VanDerWaalsContact O-CG2 3.26Å; Q19-V23 WeakPolarHBondContact O-CG2 3.3Å; Q19-V23 PolarHBondContact O-N 3.32Å; Q19-V23 VanDerWaalsContact O-N 3.08Å; L20-V23 PolarHBondContact O-N 3.44Å; L20-V23 VanDerWaalsContact O-N 3.15Å; I21-V23 VanDerWaalsContact C-N 3.29Å; I21-V23 PolarHBondContact O-N 3.48Å; V23-S25 VanDerWaalsContact C-N 3.33Å; V23-S25 PolarHBondContact O-N 3.18Å; V23-L26 PolarHBondContact O-N 3.32Å; V23-C27 WeakPolarHBondContact O-CB 3.28Å; V23-C27 PolarHBondContact O-N 3.3Å; V23-C27 PolarHBondContact O-SG 3.36Å; V23-C27 VanDerWaalsContact O-SG 3.41Å; V23-L185 HydrophobicContact CB-CB 4.37Å; V23-L185 HydrophobicContact CG1-CB 4.31Å; V23-L185 HydrophobicContact CG2-CB 3.32Å; V23-L185 HydrophobicContact CG2-CD1 3.48Å; V23-L185 VanDerWaalsContact CG2-CD1 3.48Å; V23-L185 HydrophobicContact CG2-CG 4.02Å
24I93.6Very high91.6Very high19 Ų1942.2 Ų42.210%0.09721%0.214CC..Hα-helixtrans-58.5-45.9173.1-68.4160.6000110.2L20 I21 K28 A39 A43L20-I24 WeakPolarHBondContact O-CD1 3.35Å; L20-I24 WeakPolarHBondContact O-CG1 3.17Å; L20-I24 PolarHBondContact O-N 2.9Å; I21-I24 PolarHBondContact O-N 3.43Å; I24-K28 HydrophobicContact CG2-CD 3.95Å; I24-K28 HydrophobicContact CG2-CG 4.43Å; I24-K28 WeakPolarHBondContact O-CB 3.13Å; I24-K28 VanDerWaalsContact O-CG 3.26Å; I24-K28 WeakPolarHBondContact O-CG 3.35Å; I24-K28 PolarHBondContact O-N 3.28Å; I24-A39 HydrophobicContact CD1-CB 4.3Å; I24-A39 HydrophobicContact CG1-CB 3.61Å; I24-A43 HydrophobicContact CD1-CB 3.94Å
25S91.1Very high91.9Very high37 Ų3741 Ų4126%0.25920%0.204SC..Hα-helixtrans-64-48.2177.566.70000111.3I21 S22 V23 C27 K28 E29I21-S25 PolarHBondContact O-N 2.87Å; I21-S25 VanDerWaalsContact O-N 3.16Å; S22-S25 PolarHBondContact O-OG 3.17Å; V23-S25 VanDerWaalsContact C-N 3.33Å; V23-S25 PolarHBondContact O-N 3.18Å; S25-C27 VanDerWaalsContact C-N 3.33Å; S25-C27 PolarHBondContact O-N 3.32Å; S25-K28 PolarHBondContact O-N 3.45Å; S25-K28 VanDerWaalsContact O-N 3.14Å; S25-E29 WeakPolarHBondContact O-CG 3.49Å; S25-E29 PolarHBondContact O-N 3.26Å
26L91.4Very high92.2Very high47 Ų4738.2 Ų38.225%0.24619%0.191CC..Hα-helixtrans-58.8-40.6178.9-69.2170.6000113.1S22 V23 R30 F154S22-L26 VanDerWaalsContact O-CG 3.25Å; S22-L26 WeakPolarHBondContact O-CG 3.4Å; S22-L26 PolarHBondContact O-N 2.84Å; V23-L26 PolarHBondContact O-N 3.32Å; L26-R30 WeakPolarHBondContact O-CB 3.27Å; L26-R30 WeakPolarHBondContact O-CG 3.29Å; L26-R30 PolarHBondContact O-N 3.24Å; L26-F154 HydrophobicContact CB-CE2 4.27Å; L26-F154 HydrophobicContact CB-CZ 3.97Å
27C93Very high92.4Very high1 Ų141.4 Ų41.41%0.00721%0.205CC..Hα-helixtrans-70.7-39.6176.3-74.30000112.2V23 S25 R30 G31 L32 A36V23-C27 WeakPolarHBondContact O-CB 3.28Å; V23-C27 PolarHBondContact O-N 3.3Å; V23-C27 PolarHBondContact O-SG 3.36Å; V23-C27 VanDerWaalsContact O-SG 3.41Å; S25-C27 VanDerWaalsContact C-N 3.33Å; S25-C27 PolarHBondContact O-N 3.32Å; C27-R30 CarbonylContact O-C 3.56Å; C27-R30 PolarHBondContact O-N 3.13Å; C27-G31 PolarHBondContact O-N 3.04Å; C27-L32 HydrophobicContact CB-CB 4.15Å; C27-L32 PolarHBondContact O-N 3.16Å; C27-A36 HydrophobicContact CB-CB 3.93Å
28K91.4Very high92.6Very high120 Ų12040.9 Ų40.952%0.52220%0.202SC..Hα-helixtrans-65.9-43.8178.4-78.8179.2177.4-1790112.2I24 S25 R30 G31 A36 K75I24-K28 HydrophobicContact CG2-CD 3.95Å; I24-K28 HydrophobicContact CG2-CG 4.43Å; I24-K28 WeakPolarHBondContact O-CB 3.13Å; I24-K28 VanDerWaalsContact O-CG 3.26Å; I24-K28 WeakPolarHBondContact O-CG 3.35Å; I24-K28 PolarHBondContact O-N 3.28Å; S25-K28 PolarHBondContact O-N 3.45Å; S25-K28 VanDerWaalsContact O-N 3.14Å; K28-R30 PolarHBondContact O-N 3.44Å; K28-G31 PolarHBondContact O-N 3.16Å; K28-G31 VanDerWaalsContact O-N 3.1Å; K28-A36 HydrophobicContact CG-CB 3.94Å; K28-K75 VanDerWaalsContact O-CE 3.25Å; K28-K75 WeakPolarHBondContact O-CE 3.06Å
29E90.1Very high92.8Very high71 Ų7138.5 Ų38.533%0.33219%0.192SC..Hα-helixtrans-57.5-38.4174.9-75176.6-162.800111.6S25 K75 K97S25-E29 WeakPolarHBondContact O-CG 3.49Å; S25-E29 PolarHBondContact O-N 3.26Å; E29-K75 VanDerWaalsContact O-CE 3.28Å; E29-K75 WeakPolarHBondContact O-CE 3.46Å; E29-K97 WeakPolarHBondContact OE2-CD 3.29Å; E29-K97 IonicContact OE2-NZ 2.85Å
30R91.9Very high93Very high19 Ų1939.7 Ų39.77%0.07220%0.203CC..THydrogen-bonded Turntrans-85.5-2.8179.6-73.7175.1173.281.8-8.6114.4L26 C27 K28 L32 F100 D152 F154L26-R30 WeakPolarHBondContact O-CB 3.27Å; L26-R30 WeakPolarHBondContact O-CG 3.29Å; L26-R30 PolarHBondContact O-N 3.24Å; C27-R30 CarbonylContact O-C 3.56Å; C27-R30 PolarHBondContact O-N 3.13Å; K28-R30 PolarHBondContact O-N 3.44Å; R30-L32 VanDerWaalsContact C-N 3.35Å; R30-L32 PolarHBondContact O-N 3.4Å; R30-F100 HydrophobicContact CB-CD1 3.68Å; R30-F100 HydrophobicContact CB-CE1 3.64Å; R30-F100 HydrophobicContact CG-CD1 3.76Å; R30-F100 HydrophobicContact CG-CE1 4.22Å; R30-F100 HydrophobicContact CG-CG 4.48Å; R30-F100 WeakPolarHBondContact O-CE1 3.46Å; R30-D152 IonicContact NE-OD2 3.21Å; R30-D152 IonicContact NH2-OD2 2.69Å; R30-D152 PolarHBondContact NH2-OD2 3.4Å; R30-F154 VanDerWaalsContact CD-CG 3.49Å; R30-F154 VanDerWaalsContact CZ-CD2 3.48Å
31G91.8Very high93.1Very high2 Ų241.2 Ų41.22%0.02121%0.21CC..THydrogen-bonded Turntrans76.215.2179.300000115.3C27 K28 L33C27-G31 PolarHBondContact O-N 3.04Å; K28-G31 PolarHBondContact O-N 3.16Å; K28-G31 VanDerWaalsContact O-N 3.1Å; G31-L33 VanDerWaalsContact C-N 3.35Å; G31-L33 PolarHBondContact O-N 3.37Å
32L94.4Very high93.2Very high4 Ų438.7 Ų38.72%0.02120%0.197CC..  trans-82.975.6177.5-68.8172.7000111.2C27 R30 H34 A36 F100 Y104 F154 Y157C27-L32 HydrophobicContact CB-CB 4.15Å; C27-L32 PolarHBondContact O-N 3.16Å; R30-L32 VanDerWaalsContact C-N 3.35Å; R30-L32 PolarHBondContact O-N 3.4Å; L32-H34 PolarHBondContact O-N 2.84Å; L32-A36 WeakPolarHBondContact O-CB 3.17Å; L32-A36 PolarHBondContact O-N 3.28Å; L32-A36 VanDerWaalsContact O-N 3.09Å; L32-F100 HydrophobicContact CD1-CE1 4.38Å; L32-F100 HydrophobicContact CD1-CZ 3.94Å; L32-F100 HydrophobicContact CD2-CZ 4Å; L32-F100 HydrophobicContact CG-CE1 4.25Å; L32-F100 HydrophobicContact CG-CZ 4.01Å; L32-Y104 HydrophobicContact CD2-CE1 4.05Å; L32-Y104 HydrophobicContact CD2-CE2 4.47Å; L32-F154 HydrophobicContact CD1-CD1 3.51Å; L32-F154 HydrophobicContact CD1-CE1 3.89Å; L32-Y157 HydrophobicContact CD2-CE1 3.89Å
33L93.4Very high93.3Very high117 Ų11737.6 Ų37.661%0.61319%0.19SC*.Hα-helixtrans-61.5-45.8-170-60.5176.6000114G31 A36 K37G31-L33 VanDerWaalsContact C-N 3.35Å; G31-L33 PolarHBondContact O-N 3.37Å; L33-A36 PolarHBondContact O-N 3.23Å; L33-K37 WeakPolarHBondContact O-CB 3.23Å; L33-K37 PolarHBondContact O-N 3.1Å
34H92.2Very high93.4Very high154 Ų15445.9 Ų45.971%0.71323%0.226SC*.Hα-helixtrans-69.1-38.7-176.1-68-64.8000113.1L32 K37 W38L32-H34 PolarHBondContact O-N 2.84Å; H34-K37 WeakPolarHBondContact O-CB 3.41Å; H34-K37 PolarHBondContact O-N 3.37Å; H34-W38 PolarHBondContact O-N 3.06Å
35S94.4Very high93.4Very high11 Ų1145.3 Ų45.38%0.07722%0.223CC..Hα-helixtrans-69.4-37.9175.4-54.20000111.6A39 H186 G188S35-A39 WeakPolarHBondContact O-CB 3.36Å; S35-A39 PolarHBondContact O-N 3.26Å; S35-H186 PolarHBondContact OG-CE1 3.15Å; S35-G188 PolarHBondContact OG-N 3.2Å
36A95.4Very high93.5Very high5 Ų544 Ų444%0.04121%0.213CC..Hα-helixtrans-63.4-41.2172.300000111.7C27 K28 L32 L33 S40C27-A36 HydrophobicContact CB-CB 3.93Å; K28-A36 HydrophobicContact CG-CB 3.94Å; L32-A36 WeakPolarHBondContact O-CB 3.17Å; L32-A36 PolarHBondContact O-N 3.28Å; L32-A36 VanDerWaalsContact O-N 3.09Å; L33-A36 PolarHBondContact O-N 3.23Å; A36-S40 VanDerWaalsContact O-CB 3.28Å; A36-S40 WeakPolarHBondContact O-CB 3.45Å; A36-S40 PolarHBondContact O-N 2.97Å; A36-S40 PolarHBondContact O-OG 2.96Å; A36-S40 VanDerWaalsContact O-OG 3.13Å
37K95.6Very high93.4Very high73 Ų7347.2 Ų47.232%0.31723%0.231SC..Hα-helixtrans-57.3-55.8175.1-171-16976.2152.50110.7L33 H34 A39 S40 E41 D282L33-K37 WeakPolarHBondContact O-CB 3.23Å; L33-K37 PolarHBondContact O-N 3.1Å; H34-K37 WeakPolarHBondContact O-CB 3.41Å; H34-K37 PolarHBondContact O-N 3.37Å; K37-A39 PolarHBondContact O-N 3.16Å; K37-S40 WeakPolarHBondContact CA-OG 3.43Å; K37-S40 PolarHBondContact O-N 3.25Å; K37-S40 VanDerWaalsContact O-N 3.09Å; K37-S40 PolarHBondContact O-OG 3.43Å; K37-E41 WeakPolarHBondContact CD-OE1 3.39Å; K37-E41 VanDerWaalsContact CE-OE1 3.3Å; K37-E41 WeakPolarHBondContact CE-OE1 3.25Å; K37-E41 WeakPolarHBondContact CG-OE1 3.4Å; K37-E41 IonicContact NZ-OE1 3.64Å; K37-E41 WeakPolarHBondContact O-CG 3.26Å; K37-E41 PolarHBondContact O-N 3.49Å; K37-D282 IonicContact NZ-OD1 2.61Å; K37-D282 IonicContact NZ-OD2 2.76Å; K37-D282 PolarHBondContact NZ-OD2 3.44Å
38W95.2Very high93.3Very high13 Ų1352.6 Ų52.65%0.04927%0.266CS..Hα-helixtrans-58.1-46.8-179.7-179.987.4000112.4H34 S40 E41 L42 W187 F216 Y248H34-W38 PolarHBondContact O-N 3.06Å; W38-S40 VanDerWaalsContact C-N 3.28Å; W38-S40 PolarHBondContact O-N 3.4Å; W38-E41 PolarHBondContact O-N 3.36Å; W38-L42 HydrophobicContact CD2-CD1 3.98Å; W38-L42 HydrophobicContact CE3-CD1 3.87Å; W38-L42 HydrophobicContact CH2-CD1 3.24Å; W38-L42 HydrophobicContact CZ2-CD1 3.34Å; W38-L42 HydrophobicContact CZ2-CG 4.4Å; W38-L42 HydrophobicContact CZ3-CD1 3.5Å; W38-L42 PolarHBondContact O-N 2.9Å; W38-L42 VanDerWaalsContact O-N 3.11Å; W38-W187 AromaticContact CD1-CD1 3.83Å; W38-W187 AromaticContact CD1-NE1 3.74Å; W38-W187 HydrophobicContact CD2-CB 3.81Å; W38-W187 AromaticContact CD2-CD1 3.53Å; W38-W187 AromaticContact CD2-CD2 3.94Å; W38-W187 HydrophobicContact CD2-CD2 3.94Å; W38-W187 AromaticContact CD2-CG 3.47Å; W38-W187 HydrophobicContact CD2-CG 3.47Å; W38-W187 VanDerWaalsContact CD2-CG 3.47Å; W38-W187 AromaticContact CE2-CD1 3.82Å; W38-W187 AromaticContact CE2-CD2 3.62Å; W38-W187 AromaticContact CE2-CE2 3.76Å; W38-W187 AromaticContact CE2-CG 3.7Å; W38-W187 AromaticContact CE2-NE1 3.85Å; W38-W187 HydrophobicContact CE3-CB 3.37Å; W38-W187 HydrophobicContact CE3-CD2 4.21Å; W38-W187 AromaticContact CE3-CG 3.58Å; W38-W187 HydrophobicContact CE3-CG 3.58Å; W38-W187 HydrophobicContact CG-CB 4.49Å; W38-W187 AromaticContact CG-CD1 3.5Å; W38-W187 VanDerWaalsContact CG-CD1 3.5Å; W38-W187 AromaticContact CG-CG 3.97Å; W38-W187 HydrophobicContact CG-CG 3.97Å; W38-W187 AromaticContact CG-NE1 3.9Å; W38-W187 HydrophobicContact CH2-CB 4.15Å; W38-W187 AromaticContact CH2-CD2 3.83Å; W38-W187 HydrophobicContact CH2-CD2 3.83Å; W38-W187 AromaticContact CH2-CE3 3.64Å; W38-W187 HydrophobicContact CH2-CE3 3.64Å; W38-W187 HydrophobicContact CH2-CG 4.06Å; W38-W187 HydrophobicContact CH2-CZ3 4.35Å; W38-W187 AromaticContact CZ2-CD2 3.54Å; W38-W187 HydrophobicContact CZ2-CD2 3.54Å; W38-W187 AromaticContact CZ2-CE2 3.96Å; W38-W187 AromaticContact CZ2-CE3 3.56Å; W38-W187 HydrophobicContact CZ2-CE3 3.56Å; W38-W187 AromaticContact CZ2-CG 3.97Å; W38-W187 HydrophobicContact CZ2-CG 3.97Å; W38-W187 HydrophobicContact CZ2-CH2 4.42Å; W38-W187 HydrophobicContact CZ2-CZ2 4.39Å; W38-W187 HydrophobicContact CZ2-CZ3 4.02Å; W38-W187 HydrophobicContact CZ3-CB 3.57Å; W38-W187 HydrophobicContact CZ3-CD2 4.18Å; W38-W187 HydrophobicContact CZ3-CE3 4.27Å; W38-W187 AromaticContact CZ3-CG 3.89Å; W38-W187 HydrophobicContact CZ3-CG 3.89Å; W38-W187 AromaticContact NE1-CE2 3.84Å; W38-W187 AromaticContact NE1-NE1 3.7Å; W38-F216 HydrophobicContact CZ2-CB 4.43Å; W38-F216 HydrophobicContact CZ2-CD1 4.17Å; W38-F216 HydrophobicContact CZ2-CG 4.39Å; W38-Y248 AromaticContact CD1-CD2 3.82Å; W38-Y248 AromaticContact CD1-CE2 3.91Å; W38-Y248 HydrophobicContact CZ2-CE1 4.5Å; W38-Y248 AromaticContact NE1-CD1 3.63Å; W38-Y248 AromaticContact NE1-CD2 3.72Å; W38-Y248 AromaticContact NE1-CE1 3.49Å; W38-Y248 AromaticContact NE1-CE2 3.58Å; W38-Y248 AromaticContact NE1-CG 3.75Å; W38-Y248 AromaticContact NE1-CZ 3.47Å
39A95.3Very high93.3Very high3 Ų348.2 Ų48.23%0.02525%0.248CC..Hα-helixtrans-63.6-35.6177.900000111.8L20 I24 S35 K37 A43L20-A39 HydrophobicContact CD2-CB 4.09Å; I24-A39 HydrophobicContact CD1-CB 4.3Å; I24-A39 HydrophobicContact CG1-CB 3.61Å; S35-A39 WeakPolarHBondContact O-CB 3.36Å; S35-A39 PolarHBondContact O-N 3.26Å; K37-A39 PolarHBondContact O-N 3.16Å; A39-A43 WeakPolarHBondContact O-CB 3.28Å; A39-A43 PolarHBondContact O-N 3.1Å
40S95.1Very high93.2Very high44 Ų4448.4 Ų48.431%0.30826%0.255SS..Hα-helixtrans-70.5-38.3176.168.80000113.5A36 K37 W38 L42 A43 F44A36-S40 VanDerWaalsContact O-CB 3.28Å; A36-S40 WeakPolarHBondContact O-CB 3.45Å; A36-S40 PolarHBondContact O-N 2.97Å; A36-S40 PolarHBondContact O-OG 2.96Å; A36-S40 VanDerWaalsContact O-OG 3.13Å; K37-S40 WeakPolarHBondContact CA-OG 3.43Å; K37-S40 PolarHBondContact O-N 3.25Å; K37-S40 VanDerWaalsContact O-N 3.09Å; K37-S40 PolarHBondContact O-OG 3.43Å; W38-S40 VanDerWaalsContact C-N 3.28Å; W38-S40 PolarHBondContact O-N 3.4Å; S40-L42 VanDerWaalsContact C-N 3.31Å; S40-L42 PolarHBondContact O-N 3.14Å; S40-A43 PolarHBondContact O-N 3.06Å; S40-F44 VanDerWaalsContact O-CB 3.27Å; S40-F44 WeakPolarHBondContact O-CB 2.9Å; S40-F44 PolarHBondContact O-N 3.27Å
41E94.6Very high92.9Very high37 Ų3755.9 Ų55.917%0.17329%0.288CS..Hα-helixtrans-60.3-42.4173.7-72.8173.6-165.900110.5K37 W38 A45 R280K37-E41 WeakPolarHBondContact CD-OE1 3.39Å; K37-E41 VanDerWaalsContact CE-OE1 3.3Å; K37-E41 WeakPolarHBondContact CE-OE1 3.25Å; K37-E41 WeakPolarHBondContact CG-OE1 3.4Å; K37-E41 IonicContact NZ-OE1 3.64Å; K37-E41 WeakPolarHBondContact O-CG 3.26Å; K37-E41 PolarHBondContact O-N 3.49Å; W38-E41 PolarHBondContact O-N 3.36Å; E41-A45 PolarHBondContact O-N 2.89Å; E41-R280 IonicContact OE2-NH1 3.87Å
42L94.3Very high92.5Very high0 Ų063 Ų630%033%0.326CS..Hα-helixtrans-69.1-42.9175.1-70.3-177.9000113.3L20 W38 S40 F44 A45 F216 F243 S246L20-L42 HydrophobicContact CD1-CB 4.08Å; L20-L42 HydrophobicContact CD2-CB 4.45Å; W38-L42 HydrophobicContact CD2-CD1 3.98Å; W38-L42 HydrophobicContact CE3-CD1 3.87Å; W38-L42 HydrophobicContact CH2-CD1 3.24Å; W38-L42 HydrophobicContact CZ2-CD1 3.34Å; W38-L42 HydrophobicContact CZ2-CG 4.4Å; W38-L42 HydrophobicContact CZ3-CD1 3.5Å; W38-L42 PolarHBondContact O-N 2.9Å; W38-L42 VanDerWaalsContact O-N 3.11Å; S40-L42 VanDerWaalsContact C-N 3.31Å; S40-L42 PolarHBondContact O-N 3.14Å; L42-F44 PolarHBondContact O-N 3.04Å; L42-A45 WeakPolarHBondContact O-CB 3.01Å; L42-A45 PolarHBondContact O-N 2.72Å; L42-F216 HydrophobicContact CD1-CD1 4.47Å; L42-F216 HydrophobicContact CD1-CE1 4.05Å; L42-F216 HydrophobicContact CD1-CZ 4.24Å; L42-F216 HydrophobicContact CD2-CE1 3.76Å; L42-F216 HydrophobicContact CD2-CZ 4.16Å; L42-F243 HydrophobicContact CD2-CD1 4.27Å; L42-S246 WeakPolarHBondContact CD2-OG 3.38Å
43A93.8Very high92Very high7 Ų766.4 Ų66.46%0.05834%0.344CS..Hα-helixtrans-64.6-32178.700000112.3K17 L20 I24 A39 S40K17-A43 VanDerWaalsContact CE-O 3.3Å; K17-A43 WeakPolarHBondContact CE-O 3.43Å; K17-A43 PolarHBondContact NZ-O 3.31Å; L20-A43 HydrophobicContact CB-CB 3.99Å; L20-A43 HydrophobicContact CD1-CB 4.21Å; I24-A43 HydrophobicContact CD1-CB 3.94Å; A39-A43 WeakPolarHBondContact O-CB 3.28Å; A39-A43 PolarHBondContact O-N 3.1Å; S40-A43 PolarHBondContact O-N 3.06Å
44F94.3Very high91.5Very high180 Ų18064.8 Ų64.879%0.78934%0.336SS*.Hα-helixtrans-70.9-33175.9-178.3-102.7000112.6S40 L42 L46S40-F44 VanDerWaalsContact O-CB 3.27Å; S40-F44 WeakPolarHBondContact O-CB 2.9Å; S40-F44 PolarHBondContact O-N 3.27Å; L42-F44 PolarHBondContact O-N 3.04Å; F44-L46 PolarHBondContact O-N 3.31Å
45A92.5Very high91Very high6 Ų659.3 Ų59.35%0.0531%0.314CS..Hα-helixtrans-65.1-24.7176.600000113.2E41 L42 K245E41-A45 PolarHBondContact O-N 2.89Å; L42-A45 WeakPolarHBondContact O-CB 3.01Å; L42-A45 PolarHBondContact O-N 2.72Å; A45-K245 HydrophobicContact CB-CB 4.38Å
46L92.6Very high90.2Very high9 Ų964.5 Ų64.55%0.04735%0.347CS..SBendtrans-87.1154.7178.3-63.3178.4000112.3L13 I16 K17 L20 F44 F243L13-L46 HydrophobicContact CD2-CD2 4.02Å; I16-L46 HydrophobicContact CG2-CD1 4.2Å; K17-L46 HydrophobicContact CB-CD1 3.93Å; K17-L46 HydrophobicContact CD-CB 3.92Å; K17-L46 PolarHBondContact NZ-O 3.38Å; L20-L46 HydrophobicContact CD1-CD1 4.21Å; F44-L46 PolarHBondContact O-N 3.31Å; L46-F243 HydrophobicContact CD1-CE1 3.85Å; L46-F243 HydrophobicContact CD1-CZ 4.16Å; L46-F243 HydrophobicContact CD2-CD1 3.91Å; L46-F243 HydrophobicContact CD2-CE1 3.71Å; L46-F243 HydrophobicContact CD2-CG 4.43Å; L46-F243 HydrophobicContact CD2-CZ 4.06Å; L46-F243 HydrophobicContact CG-CD1 4.23Å; L46-F243 HydrophobicContact CG-CE1 3.8Å; L46-F243 HydrophobicContact CG-CZ 4.42Å
47D90.9Very high89.2Confident116 Ų11672.7 Ų72.762%0.6239%0.385SS*.PPolyproline II helixtrans-61.9146.4-179.6-70.1-30.1000113.2K17 K245K17-D47 WeakPolarHBondContact CD-O 3.49Å; K17-D47 WeakPolarHBondContact CE-O 3.26Å; K17-D47 VanDerWaalsContact NZ-C 3.25Å; K17-D47 PolarHBondContact NZ-O 2.93Å; D47-K245 IonicContact OD1-NZ 3.57Å
48P90.6Very high88.1Confident114 Ų11472 Ų7274%0.7439%0.388SS*.PPolyproline II helixtrans-63.4143-176.326.5-34.3000112.3
49L90.1Very high86.9Confident28 Ų2875.7 Ų75.715%0.14742%0.421CS..PPolyproline II helixtrans-88141.1173.4-64.5175.4000110.2A14 K17 K18 I21 L54A14-L49 HydrophobicContact CB-CD2 3.72Å; K17-L49 HydrophobicContact CB-CD1 4.13Å; K17-L49 HydrophobicContact CB-CG 4.41Å; K17-L49 HydrophobicContact CD-CD1 4.3Å; K17-L49 HydrophobicContact CD-CG 3.94Å; K17-L49 HydrophobicContact CG-CD1 3.9Å; K17-L49 HydrophobicContact CG-CG 4.1Å; K18-L49 HydrophobicContact CG-CD1 3.61Å; I21-L49 HydrophobicContact CD1-CD1 4.04Å; L49-L54 HydrophobicContact CB-CD2 4.13Å; L49-L54 HydrophobicContact CD1-CD2 4.49Å
50P89.2Confident85.8Confident74 Ų7482 Ų8248%0.48145%0.448SS..PPolyproline II helixtrans-66153.4169.428.2-32.4000110.3D52 N53P50-D52 VanDerWaalsContact C-N 3.25Å; P50-D52 PolarHBondContact O-N 3.03Å; P50-D52 VanDerWaalsContact O-N 3.15Å; P50-N53 HydrophobicContact CG-CB 3.96Å; P50-N53 WeakPolarHBondContact CG-ND2 3.39Å; P50-N53 PolarHBondContact O-N 3.43Å
51K85Confident85.2Confident176 Ų17683.1 Ų83.177%0.76545%0.453SS*.G310 helixtrans-50.8-43.3-173.8-175.3-178.7176.7-176.30113.1N53 L54K51-N53 PolarHBondContact O-N 3.43Å; K51-L54 WeakPolarHBondContact O-CB 3.47Å; K51-L54 PolarHBondContact O-N 3.39Å
52D83Confident84.6Confident152 Ų15289.2 Ų89.281%0.81348%0.482SS*.G310 helixtrans-70-17.5-176-53.8-32.4000113.1P50P50-D52 VanDerWaalsContact C-N 3.25Å; P50-D52 PolarHBondContact O-N 3.03Å; P50-D52 VanDerWaalsContact O-N 3.15Å
53N84.4Confident84Confident75 Ų7593.8 Ų93.840%0.40150%0.503SS..G310 helixtrans-98-0.1178.7-75.4-19.8000113.3K18 P50 K51K18-N53 WeakPolarHBondContact CD-O 3.48Å; K18-N53 WeakPolarHBondContact CE-O 3.4Å; K18-N53 PolarHBondContact NZ-O 3.13Å; P50-N53 HydrophobicContact CG-CB 3.96Å; P50-N53 WeakPolarHBondContact CG-ND2 3.39Å; P50-N53 PolarHBondContact O-N 3.43Å; K51-N53 PolarHBondContact O-N 3.43Å
54L83.8Confident83.4Confident84 Ų8494 Ų9444%0.4450%0.503SS..SBendtrans-67.4141.6175.7-68.6171.6000110.3I21 L49 K51I21-L54 HydrophobicContact CD1-CD2 4.15Å; L49-L54 HydrophobicContact CB-CD2 4.13Å; L49-L54 HydrophobicContact CD1-CD2 4.49Å; K51-L54 WeakPolarHBondContact O-CB 3.47Å; K51-L54 PolarHBondContact O-N 3.39Å
55P81.8Confident83Confident39 Ų3988.3 Ų88.325%0.25349%0.489SS..PPolyproline II helixtrans-62.1136.3174.527-32.2000109.2I21I21-P55 HydrophobicContact CB-CG 3.98Å; I21-P55 HydrophobicContact CG2-CG 3.63Å
56P77.2Confident82.9Confident120 Ų12094.9 Ų94.978%0.77952%0.519SS*.PPolyproline II helixtrans-62.4152.5173.328-34000109.8
57E74.8Confident82.8Confident176 Ų17695.5 Ų95.582%0.82252%0.522SS*.PPolyproline II helixtrans-57140.3171.4-70.6-174.3171.300109.9A59E57-A59 PolarHBondContact O-N 3.48Å
58P72.2Confident82.7Confident59 Ų5993 Ų9338%0.38351%0.509SS..PPolyproline II helixtrans-59.3127.3179.224.4-32000109.4F60P58-F60 PolarHBondContact O-N 3.12Å
59A69.8Low82.8Confident90 Ų9094.1 Ų94.174%0.74451%0.508SS*.PPolyproline II helixtrans-61.7134.717800000110.2E57 T61E57-A59 PolarHBondContact O-N 3.48Å; A59-T61 PolarHBondContact O-N 2.63Å
60F72.5Confident83Confident136 Ų13694 Ų9460%0.59651%0.512SS*.PPolyproline II helixtrans-60.6129172.3-75.2-84.5000109.7P58 D64 L68P58-F60 PolarHBondContact O-N 3.12Å; F60-D64 HydrophobicContact CD1-CB 4Å; F60-L68 HydrophobicContact CD1-CD1 4.4Å; F60-L68 HydrophobicContact CE1-CD1 3.73Å; F60-L68 HydrophobicContact CZ-CD1 4.39Å
61T81.8Confident83.1Confident68 Ų6891.7 Ų91.742%0.41750%0.495SS..PPolyproline II helixtrans-76.4162.2167.7670000109.7A59 E63 D64 A65A59-T61 PolarHBondContact O-N 2.63Å; T61-E63 PolarHBondContact O-N 3.35Å; T61-D64 PolarHBondContact N-OD2 2.84Å; T61-D64 WeakPolarHBondContact O-CB 3.42Å; T61-D64 PolarHBondContact O-N 3.17Å; T61-D64 VanDerWaalsContact O-N 3.12Å; T61-D64 WeakPolarHBondContact OG1-CB 3.46Å; T61-D64 PolarHBondContact OG1-N 3.32Å; T61-D64 VanDerWaalsContact OG1-N 3.12Å; T61-D64 PolarHBondContact OG1-OD1 3.21Å; T61-D64 PolarHBondContact OG1-OD2 2.73Å; T61-D64 VanDerWaalsContact OG1-OD2 3.13Å; T61-A65 PolarHBondContact O-N 2.88Å
62E82.2Confident83.4Confident164 Ų16487 Ų8777%0.76648%0.482SS*.Hα-helixtrans-62-33.8176.9-161.2166.1-165.100111.6A65 Q66E62-A65 PolarHBondContact O-N 3.47Å; E62-Q66 WeakPolarHBondContact O-CG 3.43Å; E62-Q66 PolarHBondContact O-N 3.12Å; E62-Q66 VanDerWaalsContact O-N 3.17Å
63E82Confident84Confident97 Ų9782.9 Ų82.945%0.45346%0.459SS..Hα-helixtrans-66.3-40.7172.7-61.3178.1176.700112.1T61 A65 Q66 D67T61-E63 PolarHBondContact O-N 3.35Å; E63-A65 VanDerWaalsContact C-N 3.28Å; E63-A65 PolarHBondContact O-N 3.37Å; E63-Q66 PolarHBondContact O-N 3.42Å; E63-D67 PolarHBondContact O-N 2.85Å
64D82.1Confident84.5Confident10 Ų1079.3 Ų79.35%0.05344%0.44CS..Hα-helixtrans-66.1-33.4176.9-66.3-27.5000112F60 T61 L68 S95 K97F60-D64 HydrophobicContact CD1-CB 4Å; T61-D64 PolarHBondContact N-OD2 2.84Å; T61-D64 WeakPolarHBondContact O-CB 3.42Å; T61-D64 PolarHBondContact O-N 3.17Å; T61-D64 VanDerWaalsContact O-N 3.12Å; T61-D64 WeakPolarHBondContact OG1-CB 3.46Å; T61-D64 PolarHBondContact OG1-N 3.32Å; T61-D64 VanDerWaalsContact OG1-N 3.12Å; T61-D64 PolarHBondContact OG1-OD1 3.21Å; T61-D64 PolarHBondContact OG1-OD2 2.73Å; T61-D64 VanDerWaalsContact OG1-OD2 3.13Å; D64-L68 WeakPolarHBondContact O-CA 3.23Å; D64-L68 WeakPolarHBondContact O-CB 3.44Å; D64-L68 PolarHBondContact O-N 3.16Å; D64-S95 PolarHBondContact OD1-OG 2.82Å; D64-K97 VanDerWaalsContact CG-NZ 3.31Å; D64-K97 WeakPolarHBondContact OD1-CE 3.42Å; D64-K97 IonicContact OD1-NZ 3.88Å; D64-K97 WeakPolarHBondContact OD2-CE 3.18Å; D64-K97 IonicContact OD2-NZ 3.72Å; D64-K97 PolarHBondContact OD2-NZ 3.36Å
65A85.8Confident85Confident61 Ų6177.1 Ų77.150%0.50443%0.427SS..Hα-helixtrans-69.6-36.7176.800000112T61 E62 E63T61-A65 PolarHBondContact O-N 2.88Å; E62-A65 PolarHBondContact O-N 3.47Å; E63-A65 VanDerWaalsContact C-N 3.28Å; E63-A65 PolarHBondContact O-N 3.37Å
66Q89.3Confident85.7Confident144 Ų14477.8 Ų77.867%0.67343%0.433SS*.Hα-helixtrans-66.7-40.2176.2-71.9174.110.100112.3E62 E63E62-Q66 WeakPolarHBondContact O-CG 3.43Å; E62-Q66 PolarHBondContact O-N 3.12Å; E62-Q66 VanDerWaalsContact O-N 3.17Å; E63-Q66 PolarHBondContact O-N 3.42Å
67D90.8Very high86.6Confident22 Ų2273.8 Ų73.812%0.11840%0.402CS..THydrogen-bonded Turntrans-93.15.6-178-73.2-38.2000113.6E63 D69 A70 L71 C93 C94 S95 A98E63-D67 PolarHBondContact O-N 2.85Å; D67-D69 PolarHBondContact O-N 3.27Å; D67-A70 PolarHBondContact O-N 3.35Å; D67-L71 VanDerWaalsContact O-CB 3.28Å; D67-L71 WeakPolarHBondContact O-CB 3.34Å; D67-L71 PolarHBondContact O-N 2.9Å; D67-C93 HydrophobicContact CB-CB 4.35Å; D67-C93 WeakPolarHBondContact OD1-CA 3.48Å; D67-C93 WeakPolarHBondContact OD1-CB 3.46Å; D67-C93 PolarHBondContact OD1-SG 3.38Å; D67-C93 WeakPolarHBondContact OD2-CB 3.46Å; D67-C94 PolarHBondContact OD2-N 2.88Å; D67-S95 WeakPolarHBondContact OD2-CB 3.28Å; D67-S95 PolarHBondContact OD2-N 3.3Å; D67-A98 HydrophobicContact CB-CB 4.3Å
68L89.2Confident87.6Confident63 Ų6365.9 Ų65.933%0.3337%0.365SS..Hα-helixtrans-58.5-45.5-168.4-173.564000113.3F60 D64 L71 T72F60-L68 HydrophobicContact CD1-CD1 4.4Å; F60-L68 HydrophobicContact CE1-CD1 3.73Å; F60-L68 HydrophobicContact CZ-CD1 4.39Å; D64-L68 WeakPolarHBondContact O-CA 3.23Å; D64-L68 WeakPolarHBondContact O-CB 3.44Å; D64-L68 PolarHBondContact O-N 3.16Å; L68-L71 PolarHBondContact O-N 3.5Å; L68-T72 HydrophobicContact CD1-CG2 4.11Å; L68-T72 HydrophobicContact CG-CG2 4.36Å; L68-T72 WeakPolarHBondContact O-CB 3.45Å; L68-T72 VanDerWaalsContact O-CG2 3.26Å; L68-T72 WeakPolarHBondContact O-CG2 3.49Å; L68-T72 PolarHBondContact O-N 3.02Å; L68-T72 PolarHBondContact O-OG1 3.12Å
69D91.8Very high88.7Confident138 Ų13867.4 Ų67.474%0.73837%0.37SS*.Hα-helixtrans-64.6-43.2-178.7-65.3-18.8000111.1D67 T72 L73D67-D69 PolarHBondContact O-N 3.27Å; D69-T72 PolarHBondContact O-OG1 3.41Å; D69-T72 VanDerWaalsContact O-OG1 3.04Å; D69-L73 VanDerWaalsContact O-CB 3.29Å; D69-L73 WeakPolarHBondContact O-CB 3.46Å; D69-L73 PolarHBondContact O-N 3.46Å; D69-L73 VanDerWaalsContact O-N 3.13Å
70A93.9Very high90Very high26 Ų2669 Ų6922%0.21537%0.365CS..Hα-helixtrans-67.2-41.7176.900000111.5D67 A74D67-A70 PolarHBondContact O-N 3.35Å; A70-A74 WeakPolarHBondContact O-CB 3.46Å; A70-A74 PolarHBondContact O-N 3.47Å
71L91.1Very high91.1Very high25 Ų2568.9 Ų68.913%0.13137%0.365CS..Hα-helixtrans-66.8-46.9-178.6-156.5167.9000111.1D67 L68 A74 K75 K97 A98D67-L71 VanDerWaalsContact O-CB 3.28Å; D67-L71 WeakPolarHBondContact O-CB 3.34Å; D67-L71 PolarHBondContact O-N 2.9Å; L68-L71 PolarHBondContact O-N 3.5Å; L71-A74 PolarHBondContact O-N 3.36Å; L71-K75 WeakPolarHBondContact O-CB 3.41Å; L71-K75 PolarHBondContact O-N 3.21Å; L71-K97 HydrophobicContact CD1-CB 3.9Å; L71-A98 HydrophobicContact CD1-CB 4.31Å
72T92.4Very high91.7Very high79 Ų7969.3 Ų69.349%0.48536%0.362SS..Hα-helixtrans-62.7-46.4177.852.60000111.8L68 D69 K75 S76L68-T72 HydrophobicContact CD1-CG2 4.11Å; L68-T72 HydrophobicContact CG-CG2 4.36Å; L68-T72 WeakPolarHBondContact O-CB 3.45Å; L68-T72 VanDerWaalsContact O-CG2 3.26Å; L68-T72 WeakPolarHBondContact O-CG2 3.49Å; L68-T72 PolarHBondContact O-N 3.02Å; L68-T72 PolarHBondContact O-OG1 3.12Å; D69-T72 PolarHBondContact O-OG1 3.41Å; D69-T72 VanDerWaalsContact O-OG1 3.04Å; T72-K75 PolarHBondContact O-N 2.93Å; T72-S76 PolarHBondContact O-N 3.44Å; T72-S76 VanDerWaalsContact O-N 3.1Å
73L95.3Very high92.4Very high64 Ų6463.2 Ų63.234%0.33533%0.332SS..Hα-helixtrans-62.5-50176.8-178.562.8000111.5D69 K75 S76 Y77 F89D69-L73 VanDerWaalsContact O-CB 3.29Å; D69-L73 WeakPolarHBondContact O-CB 3.46Å; D69-L73 PolarHBondContact O-N 3.46Å; D69-L73 VanDerWaalsContact O-N 3.13Å; L73-K75 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 2.84Å; L73-S76 WeakPolarHBondContact O-CB 3.29Å; L73-S76 PolarHBondContact O-N 2.79Å; L73-S76 PolarHBondContact O-OG 3.33Å; L73-Y77 HydrophobicContact CD1-CD2 4.41Å; L73-Y77 HydrophobicContact CD1-CE2 3.62Å; L73-Y77 HydrophobicContact CD2-CE2 4.02Å; L73-Y77 HydrophobicContact CG-CD2 4.15Å; L73-Y77 HydrophobicContact CG-CE2 3.53Å; L73-Y77 WeakPolarHBondContact O-CD2 3.32Å; L73-Y77 PolarHBondContact O-N 3.22Å; L73-Y77 VanDerWaalsContact O-N 3.14Å; L73-F89 HydrophobicContact CD2-CD1 4.02Å; L73-F89 HydrophobicContact CD2-CD2 4.32Å; L73-F89 HydrophobicContact CD2-CE1 4.17Å; L73-F89 HydrophobicContact CD2-CE2 4.49Å; L73-F89 HydrophobicContact CD2-CG 4.1Å; L73-F89 HydrophobicContact CD2-CZ 4.41Å
74A95.4Very high93.1Very high0 Ų062.5 Ų62.50%033%0.332CS..Hα-helixtrans-65-35.2-179.300000112.4A70 L71 S76 Y77 F78 A86 L90A70-A74 WeakPolarHBondContact O-CB 3.46Å; A70-A74 PolarHBondContact O-N 3.47Å; L71-A74 PolarHBondContact O-N 3.36Å; A74-S76 VanDerWaalsContact C-N 3.32Å; A74-S76 PolarHBondContact O-N 3.15Å; A74-Y77 PolarHBondContact O-N 3.04Å; A74-F78 VanDerWaalsContact O-CB 3.3Å; A74-F78 WeakPolarHBondContact O-CB 3.2Å; A74-F78 PolarHBondContact O-N 3.24Å; A74-A86 HydrophobicContact CB-CB 4.25Å; A74-A86 WeakPolarHBondContact O-CB 3.33Å; A74-L90 HydrophobicContact CB-CD1 3.59Å; A74-L90 HydrophobicContact CB-CD2 3.67Å; A74-L90 HydrophobicContact CB-CG 3.36Å
75K94.6Very high93.8Very high38 Ų3867.2 Ų67.217%0.16535%0.349CS..Hα-helixtrans-64.2-38.3174.6-173.661.3172.468.40111.7K28 E29 L71 T72 L73 F78 D79 L101K28-K75 VanDerWaalsContact O-CE 3.25Å; K28-K75 WeakPolarHBondContact O-CE 3.06Å; E29-K75 VanDerWaalsContact O-CE 3.28Å; E29-K75 WeakPolarHBondContact O-CE 3.46Å; L71-K75 WeakPolarHBondContact O-CB 3.41Å; L71-K75 PolarHBondContact O-N 3.21Å; T72-K75 PolarHBondContact O-N 2.93Å; L73-K75 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 2.84Å; K75-F78 WeakPolarHBondContact O-CB 3.44Å; K75-F78 PolarHBondContact O-N 3.3Å; K75-D79 IonicContact NZ-OD1 3.5Å; K75-D79 PolarHBondContact NZ-OD1 3.27Å; K75-D79 IonicContact NZ-OD2 2.69Å; K75-D79 PolarHBondContact NZ-OD2 2.92Å; K75-D79 VanDerWaalsContact O-CG 3.28Å; K75-D79 PolarHBondContact O-N 3.07Å; K75-L101 HydrophobicContact CB-CD2 4.25Å; K75-L101 HydrophobicContact CD-CD2 4.15Å
76S95.8Very high94.3Very high54 Ų5464.3 Ų64.338%0.37833%0.325SS..Hα-helixtrans-63-43.4174.177.40000112.3T72 L73 A74 F78 D79 L80T72-S76 PolarHBondContact O-N 3.44Å; T72-S76 VanDerWaalsContact O-N 3.1Å; L73-S76 WeakPolarHBondContact O-CB 3.29Å; L73-S76 PolarHBondContact O-N 2.79Å; L73-S76 PolarHBondContact O-OG 3.33Å; A74-S76 VanDerWaalsContact C-N 3.32Å; A74-S76 PolarHBondContact O-N 3.15Å; S76-F78 VanDerWaalsContact C-N 3.33Å; S76-F78 PolarHBondContact O-N 3.35Å; S76-D79 PolarHBondContact O-N 3.15Å; S76-L80 WeakPolarHBondContact O-CG 3.42Å; S76-L80 PolarHBondContact O-N 2.93Å
77Y96.9Very high94.6Very high36 Ų3657.9 Ų57.914%0.14130%0.296CS..Hα-helixtrans-65-38.1173.3-67-43000112.3L73 A74 L80 K81 E82 R85 F89L73-Y77 HydrophobicContact CD1-CD2 4.41Å; L73-Y77 HydrophobicContact CD1-CE2 3.62Å; L73-Y77 HydrophobicContact CD2-CE2 4.02Å; L73-Y77 HydrophobicContact CG-CD2 4.15Å; L73-Y77 HydrophobicContact CG-CE2 3.53Å; L73-Y77 WeakPolarHBondContact O-CD2 3.32Å; L73-Y77 PolarHBondContact O-N 3.22Å; L73-Y77 VanDerWaalsContact O-N 3.14Å; A74-Y77 PolarHBondContact O-N 3.04Å; Y77-L80 CarbonylContact O-C 3.6Å; Y77-L80 PolarHBondContact O-N 3.02Å; Y77-K81 PolarHBondContact O-N 3.33Å; Y77-E82 WeakPolarHBondContact CD1-OE2 3.34Å; Y77-E82 PolarHBondContact O-N 2.93Å; Y77-R85 HydrophobicContact CD2-CB 4.07Å; Y77-R85 HydrophobicContact CG-CB 4.12Å; Y77-R85 VanDerWaalsContact CZ-CZ 3.42Å; Y77-R85 PolarHBondContact OH-NH2 2.95Å; Y77-F89 AromaticContact CD2-CD2 3.91Å; Y77-F89 HydrophobicContact CD2-CD2 3.91Å; Y77-F89 HydrophobicContact CD2-CE2 4.22Å; Y77-F89 AromaticContact CE2-CD2 3.55Å; Y77-F89 HydrophobicContact CE2-CD2 3.55Å; Y77-F89 AromaticContact CE2-CE2 3.49Å; Y77-F89 HydrophobicContact CE2-CE2 3.49Å; Y77-F89 VanDerWaalsContact CE2-CE2 3.49Å; Y77-F89 HydrophobicContact CE2-CZ 4.45Å
78F96.1Very high94.9Very high9 Ų964.8 Ų64.84%0.03932%0.321CS..Hα-helixtrans-61.1-44.5177-174.6-83.5000111.6A74 K75 S76 L80 K81 Y83 A86 L101 Y104 L108A74-F78 VanDerWaalsContact O-CB 3.3Å; A74-F78 WeakPolarHBondContact O-CB 3.2Å; A74-F78 PolarHBondContact O-N 3.24Å; K75-F78 WeakPolarHBondContact O-CB 3.44Å; K75-F78 PolarHBondContact O-N 3.3Å; S76-F78 VanDerWaalsContact C-N 3.33Å; S76-F78 PolarHBondContact O-N 3.35Å; F78-L80 VanDerWaalsContact C-N 3.28Å; F78-L80 PolarHBondContact O-N 2.91Å; F78-K81 WeakPolarHBondContact O-CA 3.42Å; F78-K81 PolarHBondContact O-N 2.71Å; F78-Y83 AromaticContact CD2-CD1 3.86Å; F78-Y83 HydrophobicContact CD2-CD1 3.86Å; F78-Y83 HydrophobicContact CD2-CE1 4.12Å; F78-Y83 AromaticContact CE2-CD1 3.97Å; F78-Y83 HydrophobicContact CE2-CD1 3.97Å; F78-Y83 AromaticContact CE2-CE1 4Å; F78-Y83 HydrophobicContact CE2-CE1 4Å; F78-Y83 HydrophobicContact CG-CD1 4.44Å; F78-Y83 HydrophobicContact CG-CE1 4.45Å; F78-Y83 HydrophobicContact CZ-CE1 4.19Å; F78-A86 HydrophobicContact CB-CB 4.24Å; F78-L101 HydrophobicContact CD1-CD1 4.46Å; F78-L101 HydrophobicContact CD2-CD1 3.7Å; F78-L101 HydrophobicContact CE2-CD1 3.92Å; F78-L101 HydrophobicContact CG-CD1 4Å; F78-L101 HydrophobicContact CZ-CD1 4.42Å; F78-Y104 AromaticContact CE2-CD1 3.81Å; F78-Y104 HydrophobicContact CE2-CD1 3.81Å; F78-Y104 HydrophobicContact CE2-CE1 4.2Å; F78-Y104 AromaticContact CZ-CD1 3.64Å; F78-Y104 HydrophobicContact CZ-CD1 3.64Å; F78-Y104 AromaticContact CZ-CE1 3.59Å; F78-Y104 HydrophobicContact CZ-CE1 3.59Å; F78-L108 HydrophobicContact CE2-CD1 3.67Å; F78-L108 HydrophobicContact CZ-CD1 3.5Å
79D94.8Very high95.2Very high91 Ų9165.5 Ų65.549%0.48732%0.322SS..Hα-helixtrans-67-30.4179.8-69.5-24.1000112.5K75 S76 K81K75-D79 IonicContact NZ-OD1 3.5Å; K75-D79 PolarHBondContact NZ-OD1 3.27Å; K75-D79 IonicContact NZ-OD2 2.69Å; K75-D79 PolarHBondContact NZ-OD2 2.92Å; K75-D79 VanDerWaalsContact O-CG 3.28Å; K75-D79 PolarHBondContact O-N 3.07Å; S76-D79 PolarHBondContact O-N 3.15Å; D79-K81 PolarHBondContact O-N 2.76Å
80L95.8Very high95.3Very high123 Ų12359 Ų5964%0.64429%0.288SS*.THydrogen-bonded Turntrans-78.92.4170.6-64.6174.5000113.6S76 Y77 F78 E82S76-L80 WeakPolarHBondContact O-CG 3.42Å; S76-L80 PolarHBondContact O-N 2.93Å; Y77-L80 CarbonylContact O-C 3.6Å; Y77-L80 PolarHBondContact O-N 3.02Å; F78-L80 VanDerWaalsContact C-N 3.28Å; F78-L80 PolarHBondContact O-N 2.91Å; L80-E82 HydrophobicContact CB-CG 4.32Å; L80-E82 PolarHBondContact O-N 3.29Å
81K95.4Very high95.2Very high134 Ų13465.1 Ų65.158%0.58331%0.309SS*.THydrogen-bonded Turntrans62.226.4-177.4-50.5179179.3177.90113.9Y77 F78 D79 Y83 K112Y77-K81 PolarHBondContact O-N 3.33Å; F78-K81 WeakPolarHBondContact O-CA 3.42Å; F78-K81 PolarHBondContact O-N 2.71Å; D79-K81 PolarHBondContact O-N 2.76Å; K81-Y83 VanDerWaalsContact C-N 3.31Å; K81-Y83 HydrophobicContact CB-CE1 4.37Å; K81-Y83 HydrophobicContact CB-CE2 4.23Å; K81-Y83 PolarHBondContact O-N 3.49Å; K81-K112 PolarHBondContact O-NZ 3.46Å
82E96.2Very high95.1Very high77 Ų7767.3 Ų67.336%0.3634%0.338SS..  trans-9159.9172.4-62.7-174.1176.800110.5Y77 L80 D84 R85 A86Y77-E82 WeakPolarHBondContact CD1-OE2 3.34Å; Y77-E82 PolarHBondContact O-N 2.93Å; L80-E82 HydrophobicContact CB-CG 4.32Å; L80-E82 PolarHBondContact O-N 3.29Å; E82-D84 PolarHBondContact O-N 3.28Å; E82-R85 HydrophobicContact CB-CB 4.46Å; E82-R85 PolarHBondContact O-N 2.88Å; E82-R85 VanDerWaalsContact O-N 3.13Å; E82-R85 VanDerWaalsContact OE2-CD 3.27Å; E82-R85 WeakPolarHBondContact OE2-CD 3.3Å; E82-R85 IonicContact OE2-CZ 2.87Å; E82-R85 IonicContact OE2-NE 3.91Å; E82-R85 IonicContact OE2-NH1 2.81Å; E82-R85 PolarHBondContact OE2-NH1 3.5Å; E82-A86 PolarHBondContact O-N 2.68Å
83Y96.8Very high95Very high37 Ų3764.4 Ų64.415%0.14532%0.321CS..Hα-helixtrans-61.1-36.5-168.1-54.7-53.2000114.6F78 K81 R85 A86 A87 S105 L108 K112F78-Y83 AromaticContact CD2-CD1 3.86Å; F78-Y83 HydrophobicContact CD2-CD1 3.86Å; F78-Y83 HydrophobicContact CD2-CE1 4.12Å; F78-Y83 AromaticContact CE2-CD1 3.97Å; F78-Y83 HydrophobicContact CE2-CD1 3.97Å; F78-Y83 AromaticContact CE2-CE1 4Å; F78-Y83 HydrophobicContact CE2-CE1 4Å; F78-Y83 HydrophobicContact CG-CD1 4.44Å; F78-Y83 HydrophobicContact CG-CE1 4.45Å; F78-Y83 HydrophobicContact CZ-CE1 4.19Å; K81-Y83 VanDerWaalsContact C-N 3.31Å; K81-Y83 HydrophobicContact CB-CE1 4.37Å; K81-Y83 HydrophobicContact CB-CE2 4.23Å; K81-Y83 PolarHBondContact O-N 3.49Å; Y83-R85 VanDerWaalsContact C-N 3.3Å; Y83-R85 PolarHBondContact O-N 3.35Å; Y83-A86 PolarHBondContact O-N 3.13Å; Y83-A87 WeakPolarHBondContact O-CB 3.34Å; Y83-A87 PolarHBondContact O-N 2.98Å; Y83-S105 WeakPolarHBondContact CB-O 2.95Å; Y83-L108 HydrophobicContact CD1-CB 4.16Å; Y83-L108 HydrophobicContact CD1-CD1 4.24Å; Y83-L108 HydrophobicContact CD2-CB 3.83Å; Y83-L108 HydrophobicContact CE1-CB 4.24Å; Y83-L108 HydrophobicContact CE1-CD1 3.77Å; Y83-L108 HydrophobicContact CE2-CB 3.9Å; Y83-L108 HydrophobicContact CG-CB 3.97Å; Y83-K112 HydrophobicContact CD2-CD 4.27Å; Y83-K112 HydrophobicContact CE2-CD 4.36Å
84D96.2Very high94.4Very high82 Ų8266 Ų6644%0.43934%0.336SS..Hα-helixtrans-64.6-34.9178.6-75.4-32.6000111.9E82 Y88 S109 K113E82-D84 PolarHBondContact O-N 3.28Å; D84-Y88 PolarHBondContact O-N 3.42Å; D84-S109 WeakPolarHBondContact OD1-CB 3.47Å; D84-S109 PolarHBondContact OD1-OG 3.49Å; D84-K113 IonicContact OD1-NZ 3.84Å; D84-K113 PolarHBondContact OD1-NZ 3.26Å; D84-K113 VanDerWaalsContact OD2-CE 3.27Å; D84-K113 WeakPolarHBondContact OD2-CE 3.32Å; D84-K113 IonicContact OD2-NZ 3.91Å; D84-K113 PolarHBondContact OD2-NZ 3.45Å
85R96.5Very high94.2Very high109 Ų10966 Ų6641%0.41134%0.336SS..Hα-helixtrans-71.4-43.8175.4-67.2-176.572.3-164.95.4111.2Y77 E82 Y83 A87 Y88 F89Y77-R85 HydrophobicContact CD2-CB 4.07Å; Y77-R85 HydrophobicContact CG-CB 4.12Å; Y77-R85 VanDerWaalsContact CZ-CZ 3.42Å; Y77-R85 PolarHBondContact OH-NH2 2.95Å; E82-R85 HydrophobicContact CB-CB 4.46Å; E82-R85 PolarHBondContact O-N 2.88Å; E82-R85 VanDerWaalsContact O-N 3.13Å; E82-R85 VanDerWaalsContact OE2-CD 3.27Å; E82-R85 WeakPolarHBondContact OE2-CD 3.3Å; E82-R85 IonicContact OE2-CZ 2.87Å; E82-R85 IonicContact OE2-NE 3.91Å; E82-R85 IonicContact OE2-NH1 2.81Å; E82-R85 PolarHBondContact OE2-NH1 3.5Å; Y83-R85 VanDerWaalsContact C-N 3.3Å; Y83-R85 PolarHBondContact O-N 3.35Å; R85-A87 VanDerWaalsContact C-N 3.29Å; R85-A87 PolarHBondContact O-N 3.16Å; R85-Y88 WeakPolarHBondContact O-CB 3.26Å; R85-Y88 PolarHBondContact O-N 3.32Å; R85-Y88 VanDerWaalsContact O-N 3.16Å; R85-F89 VanDerWaalsContact O-CD2 3.22Å; R85-F89 WeakPolarHBondContact O-CD2 3.29Å; R85-F89 PolarHBondContact O-N 3.2Å; R85-F89 VanDerWaalsContact O-N 3.16Å
86A96.3Very high93.9Very high0 Ų069.1 Ų69.10%035%0.351CS..Hα-helixtrans-56.3-45.9174.700000111.2A74 F78 E82 Y83 Y88 F89 L90A74-A86 HydrophobicContact CB-CB 4.25Å; A74-A86 WeakPolarHBondContact O-CB 3.33Å; F78-A86 HydrophobicContact CB-CB 4.24Å; E82-A86 PolarHBondContact O-N 2.68Å; Y83-A86 PolarHBondContact O-N 3.13Å; A86-Y88 VanDerWaalsContact C-N 3.34Å; A86-Y88 PolarHBondContact O-N 2.88Å; A86-F89 PolarHBondContact O-N 3.09Å; A86-L90 WeakPolarHBondContact O-CG 3.27Å; A86-L90 PolarHBondContact O-N 3.4Å
87A96Very high93.6Very high9 Ų967.9 Ų67.97%0.07434%0.339CS..Hα-helixtrans-62.4-38.8176.600000112.8Y83 R85 K91 Y102 S105 R106Y83-A87 WeakPolarHBondContact O-CB 3.34Å; Y83-A87 PolarHBondContact O-N 2.98Å; R85-A87 VanDerWaalsContact C-N 3.29Å; R85-A87 PolarHBondContact O-N 3.16Å; A87-K91 PolarHBondContact O-N 2.91Å; A87-Y102 HydrophobicContact CB-CD2 4.35Å; A87-Y102 HydrophobicContact CB-CE2 4.45Å; A87-Y102 WeakPolarHBondContact O-CD2 3.33Å; A87-Y102 VanDerWaalsContact O-CE2 3.29Å; A87-Y102 WeakPolarHBondContact O-CE2 3.46Å; A87-S105 WeakPolarHBondContact CA-OG 3.49Å; A87-S105 WeakPolarHBondContact CB-OG 3.25Å; A87-S105 PolarHBondContact N-OG 3.46Å; A87-R106 HydrophobicContact CB-CG 3.79Å
88Y96.6Very high93.4Very high166 Ų16666.2 Ų66.265%0.65133%0.332SS*.Hα-helixtrans-62.5-46.3179.1179.3-96.7000112.5D84 R85 A86 K91D84-Y88 PolarHBondContact O-N 3.42Å; R85-Y88 WeakPolarHBondContact O-CB 3.26Å; R85-Y88 PolarHBondContact O-N 3.32Å; R85-Y88 VanDerWaalsContact O-N 3.16Å; A86-Y88 VanDerWaalsContact C-N 3.34Å; A86-Y88 PolarHBondContact O-N 2.88Å; Y88-K91 VanDerWaalsContact O-CB 3.29Å; Y88-K91 WeakPolarHBondContact O-CB 3.46Å; Y88-K91 PolarHBondContact O-N 2.89Å
89F95.1Very high93.3Very high79 Ų7967.9 Ų67.935%0.34634%0.339SS..Hα-helixtrans-76-21.6-177-74.1-72.5000114.1L73 Y77 R85 A86 K91L73-F89 HydrophobicContact CD2-CD1 4.02Å; L73-F89 HydrophobicContact CD2-CD2 4.32Å; L73-F89 HydrophobicContact CD2-CE1 4.17Å; L73-F89 HydrophobicContact CD2-CE2 4.49Å; L73-F89 HydrophobicContact CD2-CG 4.1Å; L73-F89 HydrophobicContact CD2-CZ 4.41Å; Y77-F89 AromaticContact CD2-CD2 3.91Å; Y77-F89 HydrophobicContact CD2-CD2 3.91Å; Y77-F89 HydrophobicContact CD2-CE2 4.22Å; Y77-F89 AromaticContact CE2-CD2 3.55Å; Y77-F89 HydrophobicContact CE2-CD2 3.55Å; Y77-F89 AromaticContact CE2-CE2 3.49Å; Y77-F89 HydrophobicContact CE2-CE2 3.49Å; Y77-F89 VanDerWaalsContact CE2-CE2 3.49Å; Y77-F89 HydrophobicContact CE2-CZ 4.45Å; R85-F89 VanDerWaalsContact O-CD2 3.22Å; R85-F89 WeakPolarHBondContact O-CD2 3.29Å; R85-F89 PolarHBondContact O-N 3.2Å; R85-F89 VanDerWaalsContact O-N 3.16Å; A86-F89 PolarHBondContact O-N 3.09Å; F89-K91 VanDerWaalsContact C-N 3.3Å
90L94.7Very high93.3Very high2 Ų263.5 Ų63.51%0.0132%0.315CS..THydrogen-bonded Turntrans-87.60.3175.1-64.6167.9000113.3A74 A86 G92 C93 A98 L101 Y102A74-L90 HydrophobicContact CB-CD1 3.59Å; A74-L90 HydrophobicContact CB-CD2 3.67Å; A74-L90 HydrophobicContact CB-CG 3.36Å; A86-L90 WeakPolarHBondContact O-CG 3.27Å; A86-L90 PolarHBondContact O-N 3.4Å; L90-G92 PolarHBondContact O-N 3.26Å; L90-G92 VanDerWaalsContact O-N 3.15Å; L90-C93 PolarHBondContact O-N 3.39Å; L90-A98 HydrophobicContact CD2-CB 4.04Å; L90-L101 HydrophobicContact CD1-CB 3.79Å; L90-L101 HydrophobicContact CD1-CD2 3.91Å; L90-L101 HydrophobicContact CD1-CG 3.74Å; L90-Y102 HydrophobicContact CB-CD2 4.14Å; L90-Y102 HydrophobicContact CB-CG 4.36Å
91K92.4Very high93.3Very high154 Ų15457.7 Ų57.767%0.6729%0.285SS*.THydrogen-bonded Turntrans-68.2113.9-178.4-172.2-179.7-179179.70110A87 Y88 F89 Y102A87-K91 PolarHBondContact O-N 2.91Å; Y88-K91 VanDerWaalsContact O-CB 3.29Å; Y88-K91 WeakPolarHBondContact O-CB 3.46Å; Y88-K91 PolarHBondContact O-N 2.89Å; F89-K91 VanDerWaalsContact C-N 3.3Å; K91-Y102 HydrophobicContact CB-CE2 4.32Å
92G87.2Confident93.3Very high71 Ų7153.2 Ų53.273%0.73227%0.265SS*.THydrogen-bonded Turntrans97.4-0.7178.300000114.8L90L90-G92 PolarHBondContact O-N 3.26Å; L90-G92 VanDerWaalsContact O-N 3.15Å
93C90.2Very high93.3Very high18 Ų1849.6 Ų49.612%0.12225%0.248CC..  trans-65.3146.9169.4-680000111.4D67 L90 A98D67-C93 HydrophobicContact CB-CB 4.35Å; D67-C93 WeakPolarHBondContact OD1-CA 3.48Å; D67-C93 WeakPolarHBondContact OD1-CB 3.46Å; D67-C93 PolarHBondContact OD1-SG 3.38Å; D67-C93 WeakPolarHBondContact OD2-CB 3.46Å; L90-C93 PolarHBondContact O-N 3.39Å; C93-A98 HydrophobicContact CB-CB 3.5Å
94C83.8Confident93.3Very high97 Ų9749.6 Ų49.666%0.65525%0.248SC*.  trans-107.1-25.4-173.8-68.30000112.8D67D67-C94 PolarHBondContact OD2-N 2.88Å
95S90.3Very high93.3Very high1 Ų145.7 Ų45.71%0.00723%0.227CC..SBendtrans-57.7138.8177.11630000111.2D64 D67 K97 A98 Y99D64-S95 PolarHBondContact OD1-OG 2.82Å; D67-S95 WeakPolarHBondContact OD2-CB 3.28Å; D67-S95 PolarHBondContact OD2-N 3.3Å; S95-K97 PolarHBondContact O-N 2.95Å; S95-K97 PolarHBondContact OG-N 3.36Å; S95-A98 PolarHBondContact O-N 2.85Å; S95-A98 VanDerWaalsContact O-N 3.16Å; S95-Y99 WeakPolarHBondContact O-CB 3.46Å; S95-Y99 PolarHBondContact O-N 3.16Å
96Q88.8Confident93.3Very high103 Ų10342 Ų4248%0.48121%0.213SC..Hα-helixtrans-57-36.2175.9-64.4-174-7.600112.5F100Q96-F100 WeakPolarHBondContact O-CB 3.25Å; Q96-F100 PolarHBondContact O-N 3.04Å
97K90.4Very high93.3Very high28 Ų2843 Ų4312%0.12222%0.217CC..Hα-helixtrans-67.6-46.8177.1-79.4-176.7-74.7-176.30111.4E29 D64 L71 S95 F100 L101E29-K97 WeakPolarHBondContact OE2-CD 3.29Å; E29-K97 IonicContact OE2-NZ 2.85Å; D64-K97 VanDerWaalsContact CG-NZ 3.31Å; D64-K97 WeakPolarHBondContact OD1-CE 3.42Å; D64-K97 IonicContact OD1-NZ 3.88Å; D64-K97 WeakPolarHBondContact OD2-CE 3.18Å; D64-K97 IonicContact OD2-NZ 3.72Å; D64-K97 PolarHBondContact OD2-NZ 3.36Å; L71-K97 HydrophobicContact CD1-CB 3.9Å; S95-K97 PolarHBondContact O-N 2.95Å; S95-K97 PolarHBondContact OG-N 3.36Å; K97-F100 PolarHBondContact O-N 2.69Å; K97-L101 WeakPolarHBondContact O-CB 3.24Å; K97-L101 PolarHBondContact O-N 3.38Å
98A92.4Very high93.2Very high0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-64-43.7178.700000111.2D67 L71 L90 C93 S95 L101 Y102D67-A98 HydrophobicContact CB-CB 4.3Å; L71-A98 HydrophobicContact CD1-CB 4.31Å; L90-A98 HydrophobicContact CD2-CB 4.04Å; C93-A98 HydrophobicContact CB-CB 3.5Å; S95-A98 PolarHBondContact O-N 2.85Å; S95-A98 VanDerWaalsContact O-N 3.16Å; A98-L101 PolarHBondContact O-N 3.09Å; A98-Y102 WeakPolarHBondContact O-CB 3.39Å; A98-Y102 PolarHBondContact O-N 3.14Å
99Y93.7Very high93.2Very high44 Ų4436.5 Ų36.517%0.17319%0.193CC..Hα-helixtrans-63-43.1176.9-178.6-100000112.6S95 Y102 M103 L142 K145 L151 T155S95-Y99 WeakPolarHBondContact O-CB 3.46Å; S95-Y99 PolarHBondContact O-N 3.16Å; Y99-Y102 WeakPolarHBondContact O-CB 3.35Å; Y99-Y102 PolarHBondContact O-N 3.41Å; Y99-M103 HydrophobicContact CE1-CG 4.12Å; Y99-M103 HydrophobicContact CE2-CE 3.49Å; Y99-M103 VanDerWaalsContact CE2-CE 3.49Å; Y99-M103 HydrophobicContact CE2-CG 4.28Å; Y99-M103 VanDerWaalsContact CZ-CE 3.48Å; Y99-M103 PolarHBondContact O-N 3.47Å; Y99-M103 WeakPolarHBondContact OH-CE 3.41Å; Y99-L142 HydrophobicContact CE1-CD2 4.44Å; Y99-K145 WeakPolarHBondContact OH-CG 3.38Å; Y99-L151 HydrophobicContact CE1-CD2 4.21Å; Y99-T155 HydrophobicContact CD1-CG2 3.9Å; Y99-T155 HydrophobicContact CE1-CG2 4.14Å
100F94.9Very high93.1Very high0 Ų033.1 Ų33.10%018%0.18CC..Hα-helixtrans-58.9-50.7173.1174.6-92.7000111.3R30 L32 Q96 K97 Y102 M103 Y104 F154 T155 L158R30-F100 HydrophobicContact CB-CD1 3.68Å; R30-F100 HydrophobicContact CB-CE1 3.64Å; R30-F100 HydrophobicContact CG-CD1 3.76Å; R30-F100 HydrophobicContact CG-CE1 4.22Å; R30-F100 HydrophobicContact CG-CG 4.48Å; R30-F100 WeakPolarHBondContact O-CE1 3.46Å; L32-F100 HydrophobicContact CD1-CE1 4.38Å; L32-F100 HydrophobicContact CD1-CZ 3.94Å; L32-F100 HydrophobicContact CD2-CZ 4Å; L32-F100 HydrophobicContact CG-CE1 4.25Å; L32-F100 HydrophobicContact CG-CZ 4.01Å; Q96-F100 WeakPolarHBondContact O-CB 3.25Å; Q96-F100 PolarHBondContact O-N 3.04Å; K97-F100 PolarHBondContact O-N 2.69Å; F100-Y102 VanDerWaalsContact C-N 3.28Å; F100-Y102 PolarHBondContact O-N 2.86Å; F100-M103 PolarHBondContact O-N 3.32Å; F100-Y104 AromaticContact CE1-CD1 3.99Å; F100-Y104 HydrophobicContact CE1-CD1 3.99Å; F100-Y104 HydrophobicContact CE1-CG 4.09Å; F100-Y104 HydrophobicContact CZ-CD1 4.23Å; F100-Y104 HydrophobicContact CZ-CD2 4.5Å; F100-Y104 HydrophobicContact CZ-CG 4.03Å; F100-Y104 VanDerWaalsContact O-CB 3.26Å; F100-Y104 WeakPolarHBondContact O-CB 3.35Å; F100-Y104 PolarHBondContact O-N 2.93Å; F100-F154 HydrophobicContact CD2-CB 3.65Å; F100-F154 HydrophobicContact CE2-CB 3.76Å; F100-F154 VanDerWaalsContact CE2-O 3.24Å; F100-F154 WeakPolarHBondContact CE2-O 3.41Å; F100-F154 HydrophobicContact CG-CB 4.22Å; F100-F154 HydrophobicContact CZ-CB 4.42Å; F100-T155 HydrophobicContact CB-CG2 3.82Å; F100-T155 HydrophobicContact CD2-CG2 3.8Å; F100-T155 HydrophobicContact CG-CG2 4.32Å; F100-L158 HydrophobicContact CE2-CB 4.03Å; F100-L158 HydrophobicContact CE2-CD2 4.39Å
101L95.1Very high92.9Very high1 Ų134 Ų341%0.00518%0.184CC..Hα-helixtrans-65.4-33-177.3-169.365.2000111.8K75 F78 L90 K97 A98 S105K75-L101 HydrophobicContact CB-CD2 4.25Å; K75-L101 HydrophobicContact CD-CD2 4.15Å; F78-L101 HydrophobicContact CD1-CD1 4.46Å; F78-L101 HydrophobicContact CD2-CD1 3.7Å; F78-L101 HydrophobicContact CE2-CD1 3.92Å; F78-L101 HydrophobicContact CG-CD1 4Å; F78-L101 HydrophobicContact CZ-CD1 4.42Å; L90-L101 HydrophobicContact CD1-CB 3.79Å; L90-L101 HydrophobicContact CD1-CD2 3.91Å; L90-L101 HydrophobicContact CD1-CG 3.74Å; K97-L101 WeakPolarHBondContact O-CB 3.24Å; K97-L101 PolarHBondContact O-N 3.38Å; A98-L101 PolarHBondContact O-N 3.09Å; L101-S105 VanDerWaalsContact O-CB 3.23Å; L101-S105 WeakPolarHBondContact O-CB 3.46Å; L101-S105 PolarHBondContact O-N 2.97Å; L101-S105 PolarHBondContact O-OG 3.27Å
102Y95.8Very high92.9Very high39 Ų3931.2 Ų31.215%0.15317%0.172CC..Hα-helixtrans-61.2-52.2171.5169.9-111.5000111.8A87 L90 K91 A98 Y99 F100 Y104 S105 R106A87-Y102 HydrophobicContact CB-CD2 4.35Å; A87-Y102 HydrophobicContact CB-CE2 4.45Å; A87-Y102 WeakPolarHBondContact O-CD2 3.33Å; A87-Y102 VanDerWaalsContact O-CE2 3.29Å; A87-Y102 WeakPolarHBondContact O-CE2 3.46Å; L90-Y102 HydrophobicContact CB-CD2 4.14Å; L90-Y102 HydrophobicContact CB-CG 4.36Å; K91-Y102 HydrophobicContact CB-CE2 4.32Å; A98-Y102 WeakPolarHBondContact O-CB 3.39Å; A98-Y102 PolarHBondContact O-N 3.14Å; Y99-Y102 WeakPolarHBondContact O-CB 3.35Å; Y99-Y102 PolarHBondContact O-N 3.41Å; F100-Y102 VanDerWaalsContact C-N 3.28Å; F100-Y102 PolarHBondContact O-N 2.86Å; Y102-Y104 VanDerWaalsContact C-N 3.34Å; Y102-Y104 PolarHBondContact O-N 2.94Å; Y102-S105 PolarHBondContact O-OG 3.45Å; Y102-R106 HydrophobicContact CE2-CG 4.34Å; Y102-R106 VanDerWaalsContact CZ-CD 3.46Å; Y102-R106 PolarHBondContact O-N 3.48Å; Y102-R106 VanDerWaalsContact O-N 3.13Å; Y102-R106 PolarHBondContact OH-NH1 3.36Å
103M95.6Very high93Very high2 Ų232.9 Ų32.91%0.0116%0.159CC..Hα-helixtrans-67.2-38.4179.7-69.4-57-177.200111.8Y99 F100 R106 Y107 L138 E141 L142 L158Y99-M103 HydrophobicContact CE1-CG 4.12Å; Y99-M103 HydrophobicContact CE2-CE 3.49Å; Y99-M103 VanDerWaalsContact CE2-CE 3.49Å; Y99-M103 HydrophobicContact CE2-CG 4.28Å; Y99-M103 VanDerWaalsContact CZ-CE 3.48Å; Y99-M103 PolarHBondContact O-N 3.47Å; Y99-M103 WeakPolarHBondContact OH-CE 3.41Å; F100-M103 PolarHBondContact O-N 3.32Å; M103-R106 PolarHBondContact O-N 3.43Å; M103-Y107 WeakPolarHBondContact O-CB 3.26Å; M103-Y107 PolarHBondContact O-N 2.99Å; M103-L138 HydrophobicContact SD-CD2 3.71Å; M103-E141 HydrophobicContact CE-CB 4.14Å; M103-E141 VanDerWaalsContact CE-OE2 3.26Å; M103-E141 WeakPolarHBondContact CE-OE2 3.43Å; M103-L142 HydrophobicContact CG-CD2 4.19Å; M103-L158 HydrophobicContact CB-CD2 3.54Å
104Y96.4Very high92.9Very high36 Ų3633.8 Ų33.814%0.14116%0.161CC..Hα-helixtrans-69.7-38.8-179.6-170.1-135000112.2L32 F78 F100 Y102 Y107 L108 L158L32-Y104 HydrophobicContact CD2-CE1 4.05Å; L32-Y104 HydrophobicContact CD2-CE2 4.47Å; F78-Y104 AromaticContact CE2-CD1 3.81Å; F78-Y104 HydrophobicContact CE2-CD1 3.81Å; F78-Y104 HydrophobicContact CE2-CE1 4.2Å; F78-Y104 AromaticContact CZ-CD1 3.64Å; F78-Y104 HydrophobicContact CZ-CD1 3.64Å; F78-Y104 AromaticContact CZ-CE1 3.59Å; F78-Y104 HydrophobicContact CZ-CE1 3.59Å; F100-Y104 AromaticContact CE1-CD1 3.99Å; F100-Y104 HydrophobicContact CE1-CD1 3.99Å; F100-Y104 HydrophobicContact CE1-CG 4.09Å; F100-Y104 HydrophobicContact CZ-CD1 4.23Å; F100-Y104 HydrophobicContact CZ-CD2 4.5Å; F100-Y104 HydrophobicContact CZ-CG 4.03Å; F100-Y104 VanDerWaalsContact O-CB 3.26Å; F100-Y104 WeakPolarHBondContact O-CB 3.35Å; F100-Y104 PolarHBondContact O-N 2.93Å; Y102-Y104 VanDerWaalsContact C-N 3.34Å; Y102-Y104 PolarHBondContact O-N 2.94Å; Y104-Y107 AromaticContact CD2-CD1 3.93Å; Y104-Y107 HydrophobicContact CD2-CD1 3.93Å; Y104-Y107 AromaticContact CE2-CD1 3.9Å; Y104-Y107 HydrophobicContact CE2-CD1 3.9Å; Y104-Y107 HydrophobicContact CE2-CE1 4.24Å; Y104-Y107 WeakPolarHBondContact O-CB 3.42Å; Y104-Y107 PolarHBondContact O-N 2.97Å; Y104-L108 HydrophobicContact CD1-CD1 4.13Å; Y104-L108 HydrophobicContact CD2-CD1 4.5Å; Y104-L108 HydrophobicContact CD2-CG 4.28Å; Y104-L108 HydrophobicContact CE1-CD1 3.73Å; Y104-L108 HydrophobicContact CE1-CG 4.46Å; Y104-L108 HydrophobicContact CE2-CD1 4.12Å; Y104-L108 HydrophobicContact CE2-CD2 4.17Å; Y104-L108 HydrophobicContact CE2-CG 3.96Å; Y104-L108 HydrophobicContact CG-CD1 4.49Å; Y104-L108 WeakPolarHBondContact O-CB 2.96Å; Y104-L108 WeakPolarHBondContact O-CG 3.44Å; Y104-L108 PolarHBondContact O-N 3.29Å; Y104-L158 HydrophobicContact CD2-CD1 3.85Å
105S96.5Very high93Very high0 Ų033 Ų330%015%0.151CC..Hα-helixtrans-65.1-41.8174.153.70000112.2Y83 A87 L101 Y102 Y107 L108 S109Y83-S105 WeakPolarHBondContact CB-O 2.95Å; A87-S105 WeakPolarHBondContact CA-OG 3.49Å; A87-S105 WeakPolarHBondContact CB-OG 3.25Å; A87-S105 PolarHBondContact N-OG 3.46Å; L101-S105 VanDerWaalsContact O-CB 3.23Å; L101-S105 WeakPolarHBondContact O-CB 3.46Å; L101-S105 PolarHBondContact O-N 2.97Å; L101-S105 PolarHBondContact O-OG 3.27Å; Y102-S105 PolarHBondContact O-OG 3.45Å; S105-Y107 VanDerWaalsContact C-N 3.35Å; S105-Y107 PolarHBondContact O-N 2.99Å; S105-L108 PolarHBondContact O-N 3.47Å; S105-S109 WeakPolarHBondContact O-CB 3.28Å; S105-S109 PolarHBondContact O-N 3.05Å
106R96.2Very high92.7Very high33 Ų3337.1 Ų37.113%0.12517%0.172CC..Hα-helixtrans-60.2-42.5171.2-74.5177.865.9-164.38.9112.6A87 Y102 M103 S109 G110 E137 L138 E141A87-R106 HydrophobicContact CB-CG 3.79Å; Y102-R106 HydrophobicContact CE2-CG 4.34Å; Y102-R106 VanDerWaalsContact CZ-CD 3.46Å; Y102-R106 PolarHBondContact O-N 3.48Å; Y102-R106 VanDerWaalsContact O-N 3.13Å; Y102-R106 PolarHBondContact OH-NH1 3.36Å; M103-R106 PolarHBondContact O-N 3.43Å; R106-S109 PolarHBondContact O-OG 3.33Å; R106-G110 PolarHBondContact O-N 3.37Å; R106-G110 VanDerWaalsContact O-N 3.13Å; R106-E137 IonicContact NH2-OE2 3.18Å; R106-E137 PolarHBondContact NH2-OE2 3.26Å; R106-L138 HydrophobicContact CB-CD2 3.96Å; R106-E141 IonicContact CZ-OE1 3.28Å; R106-E141 IonicContact CZ-OE2 3.98Å; R106-E141 IonicContact NH1-OE1 2.75Å; R106-E141 PolarHBondContact NH1-OE1 2.79Å; R106-E141 IonicContact NH1-OE2 3.26Å; R106-E141 PolarHBondContact NH1-OE2 3.18Å; R106-E141 IonicContact NH2-OE1 3.06Å; R106-E141 PolarHBondContact NH2-OE1 2.92Å
107Y96.2Very high92.6Very high19 Ų1936.9 Ų36.98%0.07517%0.171CC..Hα-helixtrans-60.7-49.8176166.3-102.9000111.5M103 Y104 S105 G110 E111 N132 L135 L158 V161 V162 K165M103-Y107 WeakPolarHBondContact O-CB 3.26Å; M103-Y107 PolarHBondContact O-N 2.99Å; Y104-Y107 AromaticContact CD2-CD1 3.93Å; Y104-Y107 HydrophobicContact CD2-CD1 3.93Å; Y104-Y107 AromaticContact CE2-CD1 3.9Å; Y104-Y107 HydrophobicContact CE2-CD1 3.9Å; Y104-Y107 HydrophobicContact CE2-CE1 4.24Å; Y104-Y107 WeakPolarHBondContact O-CB 3.42Å; Y104-Y107 PolarHBondContact O-N 2.97Å; S105-Y107 VanDerWaalsContact C-N 3.35Å; S105-Y107 PolarHBondContact O-N 2.99Å; Y107-G110 PolarHBondContact O-N 3.45Å; Y107-E111 HydrophobicContact CD2-CG 4.44Å; Y107-E111 HydrophobicContact CE1-CG 4.11Å; Y107-E111 HydrophobicContact CE2-CG 3.84Å; Y107-E111 PolarHBondContact O-N 2.92Å; Y107-N132 PolarHBondContact O-ND2 3.48Å; Y107-L135 HydrophobicContact CD2-CD2 3.95Å; Y107-L135 HydrophobicContact CE2-CD2 3.94Å; Y107-L158 HydrophobicContact CD1-CD1 4.17Å; Y107-L158 HydrophobicContact CG-CD1 4.12Å; Y107-V161 HydrophobicContact CE1-CG1 4.46Å; Y107-V161 HydrophobicContact CE2-CG1 4.29Å; Y107-V162 HydrophobicContact CD2-CG2 4.29Å; Y107-K165 WeakPolarHBondContact OH-CE 3.47Å
108L95.2Very high92.1Very high29 Ų2936.7 Ų36.715%0.15217%0.173CC..Hα-helixtrans-68.4-33.7-179.2-72.6179.8000113F78 Y83 Y104 S105 G110 E111 K112F78-L108 HydrophobicContact CE2-CD1 3.67Å; F78-L108 HydrophobicContact CZ-CD1 3.5Å; Y83-L108 HydrophobicContact CD1-CB 4.16Å; Y83-L108 HydrophobicContact CD1-CD1 4.24Å; Y83-L108 HydrophobicContact CD2-CB 3.83Å; Y83-L108 HydrophobicContact CE1-CB 4.24Å; Y83-L108 HydrophobicContact CE1-CD1 3.77Å; Y83-L108 HydrophobicContact CE2-CB 3.9Å; Y83-L108 HydrophobicContact CG-CB 3.97Å; Y104-L108 HydrophobicContact CD1-CD1 4.13Å; Y104-L108 HydrophobicContact CD2-CD1 4.5Å; Y104-L108 HydrophobicContact CD2-CG 4.28Å; Y104-L108 HydrophobicContact CE1-CD1 3.73Å; Y104-L108 HydrophobicContact CE1-CG 4.46Å; Y104-L108 HydrophobicContact CE2-CD1 4.12Å; Y104-L108 HydrophobicContact CE2-CD2 4.17Å; Y104-L108 HydrophobicContact CE2-CG 3.96Å; Y104-L108 HydrophobicContact CG-CD1 4.49Å; Y104-L108 WeakPolarHBondContact O-CB 2.96Å; Y104-L108 WeakPolarHBondContact O-CG 3.44Å; Y104-L108 PolarHBondContact O-N 3.29Å; S105-L108 PolarHBondContact O-N 3.47Å; L108-G110 VanDerWaalsContact C-N 3.32Å; L108-E111 PolarHBondContact O-N 3.27Å; L108-K112 VanDerWaalsContact O-CB 3.32Å; L108-K112 WeakPolarHBondContact O-CB 3.45Å; L108-K112 PolarHBondContact O-N 3.3Å
109S95.4Very high91.4Very high11 Ų1141.9 Ų41.98%0.07720%0.204CC..Hα-helixtrans-66-38.7174.683.70000111.4D84 S105 R106 K112 K113D84-S109 WeakPolarHBondContact OD1-CB 3.47Å; D84-S109 PolarHBondContact OD1-OG 3.49Å; S105-S109 WeakPolarHBondContact O-CB 3.28Å; S105-S109 PolarHBondContact O-N 3.05Å; R106-S109 PolarHBondContact O-OG 3.33Å; S109-K112 PolarHBondContact O-N 2.89Å; S109-K113 WeakPolarHBondContact O-CG 3.34Å; S109-K113 PolarHBondContact O-N 3.24Å
110G93.9Very high90.6Very high7 Ų746 Ų467%0.07223%0.229CC..Hα-helixtrans-65-42.2171.400000113.6R106 Y107 L108 K113 K114 N132R106-G110 PolarHBondContact O-N 3.37Å; R106-G110 VanDerWaalsContact O-N 3.13Å; Y107-G110 PolarHBondContact O-N 3.45Å; L108-G110 VanDerWaalsContact C-N 3.32Å; G110-K113 PolarHBondContact O-N 2.98Å; G110-K114 WeakPolarHBondContact O-CB 3.36Å; G110-K114 PolarHBondContact O-N 2.84Å; G110-N132 VanDerWaalsContact C-ND2 3.33Å; G110-N132 VanDerWaalsContact CA-OD1 3.23Å; G110-N132 WeakPolarHBondContact CA-OD1 3.4Å
111E91Very high89.6Confident20 Ų2047 Ų479%0.09324%0.236CC..Hα-helixtrans-64.8-40.7175.1-75.1-64.4119.600111.5Y107 L108 K114 D115 N132 K165Y107-E111 HydrophobicContact CD2-CG 4.44Å; Y107-E111 HydrophobicContact CE1-CG 4.11Å; Y107-E111 HydrophobicContact CE2-CG 3.84Å; Y107-E111 PolarHBondContact O-N 2.92Å; L108-E111 PolarHBondContact O-N 3.27Å; E111-K114 PolarHBondContact O-N 3.2Å; E111-K114 IonicContact OE2-NZ 3.4Å; E111-K114 PolarHBondContact OE2-NZ 3.43Å; E111-D115 VanDerWaalsContact O-CG 3.25Å; E111-D115 PolarHBondContact O-N 3.24Å; E111-N132 PolarHBondContact N-ND2 3.02Å; E111-N132 WeakPolarHBondContact OE1-CB 3.39Å; E111-N132 PolarHBondContact OE1-ND2 2.88Å; E111-K165 IonicContact OE2-NZ 3.45Å; E111-K165 PolarHBondContact OE2-NZ 2.86Å; E111-K165 VanDerWaalsContact OE2-NZ 3.15Å
112K91.2Very high87.7Confident96 Ų9654.5 Ų54.542%0.41728%0.275SS..Hα-helixtrans-60.6-48.7176.7-175.3-177.3178.5-176.40111.6K81 Y83 L108 S109 K114 D115 D116K81-K112 PolarHBondContact O-NZ 3.46Å; Y83-K112 HydrophobicContact CD2-CD 4.27Å; Y83-K112 HydrophobicContact CE2-CD 4.36Å; L108-K112 VanDerWaalsContact O-CB 3.32Å; L108-K112 WeakPolarHBondContact O-CB 3.45Å; L108-K112 PolarHBondContact O-N 3.3Å; S109-K112 PolarHBondContact O-N 2.89Å; K112-K114 VanDerWaalsContact C-N 3.31Å; K112-K114 PolarHBondContact O-N 3.02Å; K112-D115 PolarHBondContact O-N 3.44Å; K112-D115 VanDerWaalsContact O-N 3.12Å; K112-D116 VanDerWaalsContact O-CG 3.27Å; K112-D116 PolarHBondContact O-N 2.89Å
113K90.7Very high85.9Confident106 Ų10654 Ų5446%0.46128%0.282SS..Hα-helixtrans-60.2-41.6177-72.7168.3-174.6164.30112.1D84 S109 G110 D115 D116 E117D84-K113 IonicContact OD1-NZ 3.84Å; D84-K113 PolarHBondContact OD1-NZ 3.26Å; D84-K113 VanDerWaalsContact OD2-CE 3.27Å; D84-K113 WeakPolarHBondContact OD2-CE 3.32Å; D84-K113 IonicContact OD2-NZ 3.91Å; D84-K113 PolarHBondContact OD2-NZ 3.45Å; S109-K113 WeakPolarHBondContact O-CG 3.34Å; S109-K113 PolarHBondContact O-N 3.24Å; G110-K113 PolarHBondContact O-N 2.98Å; K113-D115 VanDerWaalsContact C-N 3.35Å; K113-D116 PolarHBondContact O-N 3.18Å; K113-E117 WeakPolarHBondContact O-CB 3.5Å; K113-E117 PolarHBondContact O-N 3.44Å
114K88.1Confident84Confident37 Ų3758.2 Ų58.216%0.16131%0.309CS..Hα-helixtrans-62.5-41.4174.8176.7-134.667.9-1730111.2G110 E111 K112 T118 V130 N132G110-K114 WeakPolarHBondContact O-CB 3.36Å; G110-K114 PolarHBondContact O-N 2.84Å; E111-K114 PolarHBondContact O-N 3.2Å; E111-K114 IonicContact OE2-NZ 3.4Å; E111-K114 PolarHBondContact OE2-NZ 3.43Å; K112-K114 VanDerWaalsContact C-N 3.31Å; K112-K114 PolarHBondContact O-N 3.02Å; K114-T118 WeakPolarHBondContact O-CB 3.42Å; K114-T118 PolarHBondContact O-N 2.99Å; K114-T118 PolarHBondContact O-OG1 3.36Å; K114-V130 HydrophobicContact CB-CG1 4.33Å; K114-V130 HydrophobicContact CG-CG1 3.77Å; K114-N132 HydrophobicContact CB-CB 4.39Å; K114-N132 HydrophobicContact CD-CB 4.5Å
115D84.1Confident81.7Confident82 Ų8263.3 Ų63.344%0.43934%0.338SS..Hα-helixtrans-66.1-42.4176.5-66.8-20.9000111.3E111 K112 K113 T118 V119E111-D115 VanDerWaalsContact O-CG 3.25Å; E111-D115 PolarHBondContact O-N 3.24Å; K112-D115 PolarHBondContact O-N 3.44Å; K112-D115 VanDerWaalsContact O-N 3.12Å; K113-D115 VanDerWaalsContact C-N 3.35Å; D115-T118 WeakPolarHBondContact O-CB 3.43Å; D115-T118 PolarHBondContact O-N 3Å; D115-V119 WeakPolarHBondContact O-CG2 3.49Å; D115-V119 PolarHBondContact O-N 3.06Å; D115-V119 VanDerWaalsContact O-N 3.15Å
116D85.5Confident79.6Confident87 Ų8768 Ų6847%0.46536%0.36SS..Hα-helixtrans-60.5-48.9176.2-64.4-27000111.2K112 K113 T118 V119 D120K112-D116 VanDerWaalsContact O-CG 3.27Å; K112-D116 PolarHBondContact O-N 2.89Å; K113-D116 PolarHBondContact O-N 3.18Å; D116-T118 VanDerWaalsContact C-N 3.28Å; D116-T118 PolarHBondContact O-N 3.47Å; D116-V119 WeakPolarHBondContact O-CB 3.49Å; D116-V119 PolarHBondContact O-N 3.09Å; D116-D120 PolarHBondContact O-N 3.38Å; D116-D120 VanDerWaalsContact O-N 3.15Å
117E85.6Confident77.7Confident98 Ų9870.1 Ų70.146%0.45837%0.37SS..Hα-helixtrans-64.9-30.8176.7-173.6-179.7-177.700112.5K113 V119 D120 S121 V130K113-E117 WeakPolarHBondContact O-CB 3.5Å; K113-E117 PolarHBondContact O-N 3.44Å; E117-V119 VanDerWaalsContact C-N 3.27Å; E117-V119 PolarHBondContact O-N 3.13Å; E117-D120 PolarHBondContact O-N 3.36Å; E117-S121 WeakPolarHBondContact O-CB 3.47Å; E117-S121 PolarHBondContact O-N 2.96Å; E117-S121 PolarHBondContact O-OG 3.13Å; E117-V130 HydrophobicContact CB-CG1 3.92Å; E117-V130 HydrophobicContact CG-CG1 3.92Å; E117-V130 HydrophobicContact CG-CG2 4Å; E117-V130 WeakPolarHBondContact OE2-CG1 3.26Å
118T79.6Confident75.9Confident24 Ų2472.1 Ų72.115%0.14740%0.397CS..Hα-helixtrans-67.8-28.2174.3-58.10000111.9K114 D115 D116 S121 K127K114-T118 WeakPolarHBondContact O-CB 3.42Å; K114-T118 PolarHBondContact O-N 2.99Å; K114-T118 PolarHBondContact O-OG1 3.36Å; D115-T118 WeakPolarHBondContact O-CB 3.43Å; D115-T118 PolarHBondContact O-N 3Å; D116-T118 VanDerWaalsContact C-N 3.28Å; D116-T118 PolarHBondContact O-N 3.47Å; T118-S121 WeakPolarHBondContact CA-OG 3.44Å; T118-S121 PolarHBondContact O-OG 3.14Å; T118-K127 HydrophobicContact CG2-CB 4.3Å; T118-K127 HydrophobicContact CG2-CD 4.35Å; T118-K127 HydrophobicContact CG2-CG 4.09Å; T118-K127 VanDerWaalsContact O-CE 3.29Å; T118-K127 WeakPolarHBondContact O-CE 3.23Å; T118-K127 PolarHBondContact O-NZ 2.82Å
119V77.8Confident74.4Confident109 Ų10977.4 Ų77.466%0.66142%0.421SS*.Hα-helixtrans-75.4-41.6174.3176.80000110.5D115 D116 E117D115-V119 WeakPolarHBondContact O-CG2 3.49Å; D115-V119 PolarHBondContact O-N 3.06Å; D115-V119 VanDerWaalsContact O-N 3.15Å; D116-V119 WeakPolarHBondContact O-CB 3.49Å; D116-V119 PolarHBondContact O-N 3.09Å; E117-V119 VanDerWaalsContact C-N 3.27Å; E117-V119 PolarHBondContact O-N 3.13Å
120D77.4Confident73.4Confident131 Ų13177.9 Ų77.970%0.70142%0.423SS*.Hα-helixtrans-76.5-26.6-176.5-68.3-21.5000114D116 E117D116-D120 PolarHBondContact O-N 3.38Å; D116-D120 VanDerWaalsContact O-N 3.15Å; E117-D120 PolarHBondContact O-N 3.36Å
121S73.8Confident72.8Confident20 Ų2085 Ų8514%0.1445%0.448CS..SBendtrans-65.4134.5-179.240.40000113.9E117 T118 G123 K127E117-S121 WeakPolarHBondContact O-CB 3.47Å; E117-S121 PolarHBondContact O-N 2.96Å; E117-S121 PolarHBondContact O-OG 3.13Å; T118-S121 WeakPolarHBondContact CA-OG 3.44Å; T118-S121 PolarHBondContact O-OG 3.14Å; S121-G123 PolarHBondContact O-N 3.23Å; S121-K127 WeakPolarHBondContact O-CE 3.48Å; S121-K127 WeakPolarHBondContact OG-CG 3.26Å
122L55.5Low72.4Confident159 Ų15984.4 Ų84.483%0.83245%0.445SS*.  trans-92.380.6-172.8-87.8155.4000110.7E126L122-E126 PolarHBondContact N-OE2 2.91Å; L122-E126 VanDerWaalsContact N-OE2 3.17Å
123G58.1Low72.2Confident28 Ų2888 Ų8829%0.28946%0.463SS..SBendtrans121.9167.7164.600000114.8S121 L125 K127S121-G123 PolarHBondContact O-N 3.23Å; G123-L125 PolarHBondContact O-N 3.31Å; G123-K127 WeakPolarHBondContact O-CG 3.44Å; G123-K127 PolarHBondContact O-N 2.9Å
124P56.3Low72.2Confident91 Ų9183.9 Ų83.959%0.59145%0.449SS*.Hα-helixtrans-70.8-25.7-170.225.4-32.5000114.2
125L47.3Very low72.4Confident143 Ų14382.6 Ų82.675%0.74944%0.444SS*.Hα-helixtrans-75.5-34.6-178.6-145.684.1000112.4G123G123-L125 PolarHBondContact O-N 3.31Å
126E52.4Low72.7Confident98 Ų9887.4 Ų87.446%0.45846%0.456SS..Hα-helixtrans-75.8-37.5178.8-66.2176.2174.900111.1L122 G128 Q129 V130L122-E126 PolarHBondContact N-OE2 2.91Å; L122-E126 VanDerWaalsContact N-OE2 3.17Å; E126-G128 PolarHBondContact O-N 3.48Å; E126-Q129 WeakPolarHBondContact O-CB 3.11Å; E126-Q129 PolarHBondContact O-N 3.23Å; E126-V130 PolarHBondContact O-N 3.04Å
127K56.9Low73.1Confident78 Ų7889 Ų8934%0.33946%0.461SS..Hα-helixtrans-60.9-27179-71.7178.8-171.2-124.80114.6T118 S121 G123 Q129T118-K127 HydrophobicContact CG2-CB 4.3Å; T118-K127 HydrophobicContact CG2-CD 4.35Å; T118-K127 HydrophobicContact CG2-CG 4.09Å; T118-K127 VanDerWaalsContact O-CE 3.29Å; T118-K127 WeakPolarHBondContact O-CE 3.23Å; T118-K127 PolarHBondContact O-NZ 2.82Å; S121-K127 WeakPolarHBondContact O-CE 3.48Å; S121-K127 WeakPolarHBondContact OG-CG 3.26Å; G123-K127 WeakPolarHBondContact O-CG 3.44Å; G123-K127 PolarHBondContact O-N 2.9Å; K127-Q129 VanDerWaalsContact C-N 3.34Å
128G58Low73.6Confident61 Ų6184.3 Ų84.363%0.62944%0.439SS*.THydrogen-bonded Turntrans-78.9-15.4175.200000114.3E126E126-G128 PolarHBondContact O-N 3.48Å
129Q63.6Low74.3Confident140 Ų14087.5 Ų87.565%0.65445%0.448SS*.THydrogen-bonded Turntrans-94.9-25.5-177.2-62.7-180700112.7E126 K127 R131E126-Q129 WeakPolarHBondContact O-CB 3.11Å; E126-Q129 PolarHBondContact O-N 3.23Å; K127-Q129 VanDerWaalsContact C-N 3.34Å; Q129-R131 PolarHBondContact O-N 3.24Å; Q129-R131 VanDerWaalsContact O-N 3.14Å
130V74.6Confident75.2Confident21 Ų2185.3 Ų85.313%0.12744%0.435CS..  trans-61.8115.5175.7-176.40000109.1K114 E117 E126K114-V130 HydrophobicContact CB-CG1 4.33Å; K114-V130 HydrophobicContact CG-CG1 3.77Å; E117-V130 HydrophobicContact CB-CG1 3.92Å; E117-V130 HydrophobicContact CG-CG1 3.92Å; E117-V130 HydrophobicContact CG-CG2 4Å; E117-V130 WeakPolarHBondContact OE2-CG1 3.26Å; E126-V130 PolarHBondContact O-N 3.04Å
131R80.3Confident76Confident156 Ų15682.1 Ų82.159%0.58942%0.416SS*.  trans-127.5151.7179.6-70.3-179-178.4-150.3-2.9108.8Q129 E133Q129-R131 PolarHBondContact O-N 3.24Å; Q129-R131 VanDerWaalsContact O-N 3.14Å; R131-E133 PolarHBondContact O-N 3.15Å
132N84.6Confident77Confident8 Ų881.1 Ų81.14%0.04341%0.409CS..  trans-67.1107172.6177.9-6.1000109.6Y107 G110 E111 K114 A134 L135Y107-N132 PolarHBondContact O-ND2 3.48Å; G110-N132 VanDerWaalsContact C-ND2 3.33Å; G110-N132 VanDerWaalsContact CA-OD1 3.23Å; G110-N132 WeakPolarHBondContact CA-OD1 3.4Å; E111-N132 PolarHBondContact N-ND2 3.02Å; E111-N132 WeakPolarHBondContact OE1-CB 3.39Å; E111-N132 PolarHBondContact OE1-ND2 2.88Å; K114-N132 HydrophobicContact CB-CB 4.39Å; K114-N132 HydrophobicContact CD-CB 4.5Å; N132-A134 PolarHBondContact O-N 3.33Å; N132-A134 WeakPolarHBondContact OD1-CB 3.29Å; N132-A134 PolarHBondContact OD1-N 3.36Å; N132-A134 VanDerWaalsContact OD1-N 3.1Å; N132-L135 HydrophobicContact CB-CD1 3.81Å; N132-L135 HydrophobicContact CB-CG 3.77Å; N132-L135 WeakPolarHBondContact O-CB 3.17Å; N132-L135 WeakPolarHBondContact O-CG 3.33Å; N132-L135 PolarHBondContact O-N 2.88Å
133E85.6Confident78.8Confident170 Ų17075.2 Ų75.279%0.79438%0.381SS*.THydrogen-bonded Turntrans-62.2-31.8-177.6-59.2-172.9149.600112.3R131 L135R131-E133 PolarHBondContact O-N 3.15Å; E133-L135 PolarHBondContact O-N 3.21Å
134A90.3Very high80.6Confident21 Ų2180.5 Ų80.517%0.17440%0.396CS..Hα-helixtrans-68.6-17.6-17900000113.2N132 R136 E137 L138N132-A134 PolarHBondContact O-N 3.33Å; N132-A134 WeakPolarHBondContact OD1-CB 3.29Å; N132-A134 PolarHBondContact OD1-N 3.36Å; N132-A134 VanDerWaalsContact OD1-N 3.1Å; A134-R136 VanDerWaalsContact C-N 3.28Å; A134-R136 PolarHBondContact O-N 3.13Å; A134-E137 PolarHBondContact O-N 3.33Å; A134-L138 HydrophobicContact CB-CD1 4.29Å; A134-L138 WeakPolarHBondContact O-CB 3.34Å; A134-L138 VanDerWaalsContact O-CG 3.26Å; A134-L138 WeakPolarHBondContact O-CG 3.36Å; A134-L138 PolarHBondContact O-N 2.95Å
135L92.2Very high82.3Confident9 Ų979.9 Ų79.95%0.04738%0.384CS..Hα-helixtrans-59.4-37.3-177.9-71.2173.3000112.9Y107 N132 E133 R139 V162 K165 L166Y107-L135 HydrophobicContact CD2-CD2 3.95Å; Y107-L135 HydrophobicContact CE2-CD2 3.94Å; N132-L135 HydrophobicContact CB-CD1 3.81Å; N132-L135 HydrophobicContact CB-CG 3.77Å; N132-L135 WeakPolarHBondContact O-CB 3.17Å; N132-L135 WeakPolarHBondContact O-CG 3.33Å; N132-L135 PolarHBondContact O-N 2.88Å; E133-L135 PolarHBondContact O-N 3.21Å; L135-R139 WeakPolarHBondContact O-CB 3.44Å; L135-R139 PolarHBondContact O-N 3.3Å; L135-V162 HydrophobicContact CD2-CB 4.46Å; L135-V162 HydrophobicContact CD2-CG1 4.11Å; L135-V162 HydrophobicContact CD2-CG2 4.26Å; L135-K165 HydrophobicContact CD1-CB 3.89Å; L135-K165 HydrophobicContact CD2-CB 4.17Å; L135-L166 HydrophobicContact CB-CD1 4.27Å; L135-L166 HydrophobicContact CB-CD2 3.76Å; L135-L166 HydrophobicContact CB-CG 4.02Å; L135-L166 HydrophobicContact CD1-CD2 4.16Å; L135-L166 HydrophobicContact CD1-CG 4.42Å
136R92.1Very high84.6Confident184 Ų18475.3 Ų75.369%0.69436%0.359SS*.Hα-helixtrans-68.1-43.3-178.2-70.1-176.1-178.41762.9111.6A134 V140A134-R136 VanDerWaalsContact C-N 3.28Å; A134-R136 PolarHBondContact O-N 3.13Å; R136-V140 WeakPolarHBondContact O-CG2 3.39Å; R136-V140 PolarHBondContact O-N 3.42Å
137E93.9Very high86.5Confident119 Ų11976.2 Ų76.256%0.55637%0.371SS*.Hα-helixtrans-65.6-48.5176.8-63.6-175.5170.500111R106 A134 R139 V140 E141R106-E137 IonicContact NH2-OE2 3.18Å; R106-E137 PolarHBondContact NH2-OE2 3.26Å; A134-E137 PolarHBondContact O-N 3.33Å; E137-R139 VanDerWaalsContact C-N 3.29Å; E137-R139 PolarHBondContact O-N 2.97Å; E137-V140 PolarHBondContact O-N 3.46Å; E137-V140 VanDerWaalsContact O-N 3.09Å; E137-E141 PolarHBondContact O-N 3.21Å
138L94.4Very high88.3Confident1 Ų175 Ų751%0.00538%0.376CS..Hα-helixtrans-57.4-42.2177.5-71.8170.6000111.8M103 R106 A134 V140 E141 L142 V162M103-L138 HydrophobicContact SD-CD2 3.71Å; R106-L138 HydrophobicContact CB-CD2 3.96Å; A134-L138 HydrophobicContact CB-CD1 4.29Å; A134-L138 WeakPolarHBondContact O-CB 3.34Å; A134-L138 VanDerWaalsContact O-CG 3.26Å; A134-L138 WeakPolarHBondContact O-CG 3.36Å; A134-L138 PolarHBondContact O-N 2.95Å; L138-V140 PolarHBondContact O-N 3.13Å; L138-E141 PolarHBondContact O-N 3.38Å; L138-L142 VanDerWaalsContact O-CB 3.28Å; L138-L142 WeakPolarHBondContact O-CB 3.35Å; L138-L142 VanDerWaalsContact O-CG 3.28Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 3.04Å; L138-V162 HydrophobicContact CB-CG1 4.39Å; L138-V162 HydrophobicContact CB-CG2 4.38Å
139R95.6Very high89.9Confident91 Ų9183.2 Ų83.234%0.34339%0.388SS..Hα-helixtrans-58.6-47.5175.7-174.4-168.564.1169.53.3111.3L135 E137 S143 Y159 V162 L163 L166L135-R139 WeakPolarHBondContact O-CB 3.44Å; L135-R139 PolarHBondContact O-N 3.3Å; E137-R139 VanDerWaalsContact C-N 3.29Å; E137-R139 PolarHBondContact O-N 2.97Å; R139-S143 WeakPolarHBondContact O-CB 3.39Å; R139-S143 PolarHBondContact O-N 3.1Å; R139-S143 PolarHBondContact O-OG 2.77Å; R139-Y159 HydrophobicContact CG-CE2 4.31Å; R139-V162 HydrophobicContact CB-CG1 3.96Å; R139-L163 HydrophobicContact CG-CD2 3.99Å; R139-L166 HydrophobicContact CB-CD1 3.84Å; R139-L166 HydrophobicContact CG-CD1 4.14Å
140V95.7Very high91.1Very high62 Ų6281.7 Ų81.738%0.37638%0.38SS..Hα-helixtrans-67.3-39.1-176.7172.50000111.7R136 E137 L138 S143 K144R136-V140 WeakPolarHBondContact O-CG2 3.39Å; R136-V140 PolarHBondContact O-N 3.42Å; E137-V140 PolarHBondContact O-N 3.46Å; E137-V140 VanDerWaalsContact O-N 3.09Å; L138-V140 PolarHBondContact O-N 3.13Å; V140-S143 PolarHBondContact O-OG 2.99Å; V140-K144 WeakPolarHBondContact O-CG 3.41Å; V140-K144 PolarHBondContact O-N 3.47Å
141E94.4Very high91.8Very high64 Ų6481.8 Ų81.830%0.29938%0.38SS..Hα-helixtrans-69.2-46.5177.6-70.5179.4-135.300111.7M103 R106 E137 L138 K144 K145M103-E141 HydrophobicContact CE-CB 4.14Å; M103-E141 VanDerWaalsContact CE-OE2 3.26Å; M103-E141 WeakPolarHBondContact CE-OE2 3.43Å; R106-E141 IonicContact CZ-OE1 3.28Å; R106-E141 IonicContact CZ-OE2 3.98Å; R106-E141 IonicContact NH1-OE1 2.75Å; R106-E141 PolarHBondContact NH1-OE1 2.79Å; R106-E141 IonicContact NH1-OE2 3.26Å; R106-E141 PolarHBondContact NH1-OE2 3.18Å; R106-E141 IonicContact NH2-OE1 3.06Å; R106-E141 PolarHBondContact NH2-OE1 2.92Å; E137-E141 PolarHBondContact O-N 3.21Å; L138-E141 PolarHBondContact O-N 3.38Å; E141-K144 PolarHBondContact O-N 2.63Å; E141-K145 PolarHBondContact O-N 2.96Å
142L94.4Very high92.3Very high0 Ų075.2 Ų75.20%036%0.357CS..Hα-helixtrans-66.6-37.6177.9-70.1170.9000111.8Y99 M103 L138 K144 K145 H146 L151 L158 Y159 V162Y99-L142 HydrophobicContact CE1-CD2 4.44Å; M103-L142 HydrophobicContact CG-CD2 4.19Å; L138-L142 VanDerWaalsContact O-CB 3.28Å; L138-L142 WeakPolarHBondContact O-CB 3.35Å; L138-L142 VanDerWaalsContact O-CG 3.28Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 3.04Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 2.78Å; L142-K145 PolarHBondContact O-N 3.01Å; L142-H146 WeakPolarHBondContact O-CB 3.11Å; L142-H146 PolarHBondContact O-N 3.17Å; L142-L151 HydrophobicContact CD2-CD2 4.27Å; L142-L158 HydrophobicContact CD1-CG 4.43Å; L142-Y159 HydrophobicContact CB-CD2 3.48Å; L142-Y159 VanDerWaalsContact CB-CD2 3.48Å; L142-Y159 HydrophobicContact CB-CE2 4.07Å; L142-Y159 HydrophobicContact CB-CG 4.02Å; L142-Y159 HydrophobicContact CD1-CD2 4.15Å; L142-Y159 HydrophobicContact CG-CD2 4.45Å; L142-V162 HydrophobicContact CD1-CG2 4.31Å
143S95Very high92.7Very high35 Ų3575.4 Ų75.425%0.24536%0.36CS..Hα-helixtrans-63.5-38177.270.20000111.9R139 V140 H146 T147 Y159R139-S143 WeakPolarHBondContact O-CB 3.39Å; R139-S143 PolarHBondContact O-N 3.1Å; R139-S143 PolarHBondContact O-OG 2.77Å; V140-S143 PolarHBondContact O-OG 2.99Å; S143-H146 PolarHBondContact O-N 2.97Å; S143-T147 WeakPolarHBondContact O-CG2 3.47Å; S143-T147 PolarHBondContact O-N 3.33Å; S143-T147 PolarHBondContact O-OG1 2.86Å; S143-Y159 WeakPolarHBondContact CB-OH 3.27Å
144K94.7Very high93.1Very high139 Ų13967.6 Ų67.660%0.60432%0.324SS*.Hα-helixtrans-62.4-46.1175.5-74173-177.2-179.60111.4V140 E141 L142 H146 T147 A148V140-K144 WeakPolarHBondContact O-CG 3.41Å; V140-K144 PolarHBondContact O-N 3.47Å; E141-K144 PolarHBondContact O-N 2.63Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 2.78Å; K144-H146 VanDerWaalsContact C-N 3.34Å; K144-T147 PolarHBondContact O-N 3.23Å; K144-T147 PolarHBondContact O-OG1 3.17Å; K144-A148 PolarHBondContact O-N 3.29Å; K144-A148 VanDerWaalsContact O-N 3.16Å
145K93Very high93.3Very high78 Ų7866.7 Ų66.734%0.33932%0.316SS..Hα-helixtrans-68.6-32.9177.6-71.6-67.9-163.4176.60112.8Y99 E141 L142 A148 R149 E150 L151Y99-K145 WeakPolarHBondContact OH-CG 3.38Å; E141-K145 PolarHBondContact O-N 2.96Å; L142-K145 PolarHBondContact O-N 3.01Å; K145-A148 CarbonylContact O-C 3.52Å; K145-A148 PolarHBondContact O-N 3.32Å; K145-R149 PolarHBondContact O-N 2.99Å; K145-R149 VanDerWaalsContact O-N 3.15Å; K145-E150 HydrophobicContact CD-CB 4.28Å; K145-E150 WeakPolarHBondContact CD-OE2 3.48Å; K145-E150 WeakPolarHBondContact CE-OE2 3.35Å; K145-E150 IonicContact NZ-OE2 3.51Å; K145-E150 PolarHBondContact NZ-OE2 3.48Å; K145-E150 PolarHBondContact O-N 3.4Å; K145-E150 VanDerWaalsContact O-N 3.11Å; K145-L151 HydrophobicContact CB-CD2 3.56Å; K145-L151 HydrophobicContact CB-CG 4.06Å
146H94.6Very high93.5Very high47 Ų4766.9 Ų66.922%0.21832%0.317CS..Hα-helixtrans-62.5-47.2172.2-177.1-109.9000111.4L142 S143 K144 A148 R149 L151 Y159 E178L142-H146 WeakPolarHBondContact O-CB 3.11Å; L142-H146 PolarHBondContact O-N 3.17Å; S143-H146 PolarHBondContact O-N 2.97Å; K144-H146 VanDerWaalsContact C-N 3.34Å; H146-A148 PolarHBondContact O-N 3.5Å; H146-R149 WeakPolarHBondContact O-CA 3.27Å; H146-R149 PolarHBondContact O-N 3.12Å; H146-L151 HydrophobicContact CB-CD1 3.61Å; H146-L151 HydrophobicContact CB-CG 4.46Å; H146-Y159 HydrophobicContact CB-CD1 4.37Å; H146-Y159 HydrophobicContact CB-CE1 4.06Å; H146-Y159 AromaticContact CG-CE1 3.9Å; H146-E178 IonicContact CD2-OE2 3.52Å; H146-E178 IonicContact CE1-OE2 3.58Å; H146-E178 IonicContact NE2-OE2 2.86Å; H146-E178 PolarHBondContact NE2-OE2 3.26Å
147T93.6Very high93.7Very high116 Ų11659.5 Ų59.571%0.71229%0.289SS*.Hα-helixtrans-62.5-29.7176.455.60000113.1S143 K144 R149S143-T147 WeakPolarHBondContact O-CG2 3.47Å; S143-T147 PolarHBondContact O-N 3.33Å; S143-T147 PolarHBondContact O-OG1 2.86Å; K144-T147 PolarHBondContact O-N 3.23Å; K144-T147 PolarHBondContact O-OG1 3.17Å; T147-R149 VanDerWaalsContact C-N 3.29Å
148A93.4Very high93.8Very high53 Ų5353.9 Ų53.944%0.43826%0.263SS..THydrogen-bonded Turntrans-79.6-7173.700000113.7K144 K145 H146 E150K144-A148 PolarHBondContact O-N 3.29Å; K144-A148 VanDerWaalsContact O-N 3.16Å; K145-A148 CarbonylContact O-C 3.52Å; K145-A148 PolarHBondContact O-N 3.32Å; H146-A148 PolarHBondContact O-N 3.5Å; A148-E150 VanDerWaalsContact C-N 3.25Å; A148-E150 HydrophobicContact CB-CG 3.85Å; A148-E150 PolarHBondContact O-N 3.09Å
149R91.7Very high93.9Very high234 Ų23454.7 Ų54.788%0.88327%0.266SS*.THydrogen-bonded Turntrans56.834.2-174.5-60.4-175.9173-178.3-2.4114.1K145 H146 T147K145-R149 PolarHBondContact O-N 2.99Å; K145-R149 VanDerWaalsContact O-N 3.15Å; H146-R149 WeakPolarHBondContact O-CA 3.27Å; H146-R149 PolarHBondContact O-N 3.12Å; T147-R149 VanDerWaalsContact C-N 3.29Å
150E89.9Confident93.9Very high107 Ų10750.4 Ų50.450%0.525%0.25SS..  trans-95-2.8-179.4-66.1176-165.300113.1K145 A148K145-E150 HydrophobicContact CD-CB 4.28Å; K145-E150 WeakPolarHBondContact CD-OE2 3.48Å; K145-E150 WeakPolarHBondContact CE-OE2 3.35Å; K145-E150 IonicContact NZ-OE2 3.51Å; K145-E150 PolarHBondContact NZ-OE2 3.48Å; K145-E150 PolarHBondContact O-N 3.4Å; K145-E150 VanDerWaalsContact O-N 3.11Å; A148-E150 VanDerWaalsContact C-N 3.25Å; A148-E150 HydrophobicContact CB-CG 3.85Å; A148-E150 PolarHBondContact O-N 3.09Å
151L89.3Confident93.9Very high23 Ų2347.7 Ų47.712%0.1223%0.234CC..  trans-81.4132.3-176.2-63.2-176.4000112.2Y99 L142 K145 H146 T155 L156Y99-L151 HydrophobicContact CE1-CD2 4.21Å; L142-L151 HydrophobicContact CD2-CD2 4.27Å; K145-L151 HydrophobicContact CB-CD2 3.56Å; K145-L151 HydrophobicContact CB-CG 4.06Å; H146-L151 HydrophobicContact CB-CD1 3.61Å; H146-L151 HydrophobicContact CB-CG 4.46Å; L151-T155 WeakPolarHBondContact CA-OG1 3.3Å; L151-T155 WeakPolarHBondContact CB-OG1 3.48Å; L151-L156 HydrophobicContact CB-CD2 3.88Å; L151-L156 HydrophobicContact CB-CG 3.88Å; L151-L156 HydrophobicContact CD1-CD2 3.91Å
152D90.4Very high94Very high19 Ų1944.7 Ų44.710%0.10222%0.22CC..  trans-78.8168.8168.578.9-18.1000111.7R30 F154 T155 L156R30-D152 IonicContact NE-OD2 3.21Å; R30-D152 IonicContact NH2-OD2 2.69Å; R30-D152 PolarHBondContact NH2-OD2 3.4Å; D152-F154 PolarHBondContact O-N 3.3Å; D152-F154 VanDerWaalsContact O-N 3.16Å; D152-F154 PolarHBondContact OD1-N 2.86Å; D152-T155 PolarHBondContact N-OG1 2.92Å; D152-T155 PolarHBondContact O-N 3.21Å; D152-T155 PolarHBondContact O-OG1 2.95Å; D152-T155 WeakPolarHBondContact OD1-CB 3.08Å; D152-T155 WeakPolarHBondContact OD1-CG2 3.39Å; D152-T155 PolarHBondContact OD1-N 3.36Å; D152-T155 PolarHBondContact OD1-OG1 3.36Å; D152-L156 WeakPolarHBondContact O-CG 3.38Å; D152-L156 PolarHBondContact O-N 3.42Å
153G92Very high94Very high11 Ų1144.7 Ų44.711%0.11322%0.22CC..Hα-helixtrans-58-31.4-178.300000114.2Y157G153-Y157 PolarHBondContact O-N 2.96Å; G153-Y157 VanDerWaalsContact O-N 3.1Å
154F94.4Very high93.9Very high6 Ų645.3 Ų45.33%0.02622%0.217CC..Hα-helixtrans-76.8-40.4178.2-66.4-72.7000112.4L26 R30 L32 F100 D152 Y157 L158 L183 H186L26-F154 HydrophobicContact CB-CE2 4.27Å; L26-F154 HydrophobicContact CB-CZ 3.97Å; R30-F154 VanDerWaalsContact CD-CG 3.49Å; R30-F154 VanDerWaalsContact CZ-CD2 3.48Å; L32-F154 HydrophobicContact CD1-CD1 3.51Å; L32-F154 HydrophobicContact CD1-CE1 3.89Å; F100-F154 HydrophobicContact CD2-CB 3.65Å; F100-F154 HydrophobicContact CE2-CB 3.76Å; F100-F154 VanDerWaalsContact CE2-O 3.24Å; F100-F154 WeakPolarHBondContact CE2-O 3.41Å; F100-F154 HydrophobicContact CG-CB 4.22Å; F100-F154 HydrophobicContact CZ-CB 4.42Å; D152-F154 PolarHBondContact O-N 3.3Å; D152-F154 VanDerWaalsContact O-N 3.16Å; D152-F154 PolarHBondContact OD1-N 2.86Å; F154-Y157 WeakPolarHBondContact O-CB 3.45Å; F154-Y157 PolarHBondContact O-N 3.25Å; F154-L158 PolarHBondContact O-N 3.24Å; F154-L183 HydrophobicContact CD1-CD2 3.89Å; F154-L183 HydrophobicContact CD2-CD2 3.87Å; F154-L183 HydrophobicContact CE1-CD2 3.49Å; F154-L183 VanDerWaalsContact CE1-CD2 3.49Å; F154-L183 HydrophobicContact CE2-CD2 3.5Å; F154-L183 VanDerWaalsContact CE2-CD2 3.5Å; F154-L183 HydrophobicContact CG-CD2 4.08Å; F154-L183 HydrophobicContact CZ-CD2 3.31Å; F154-H186 HydrophobicContact CE1-CB 4.42Å
155T94.5Very high93.7Very high3 Ų340.4 Ų40.42%0.01820%0.196CC..Hα-helixtrans-70.4-33.3175.252.60000111.9Y99 F100 L151 D152 L158 Y159Y99-T155 HydrophobicContact CD1-CG2 3.9Å; Y99-T155 HydrophobicContact CE1-CG2 4.14Å; F100-T155 HydrophobicContact CB-CG2 3.82Å; F100-T155 HydrophobicContact CD2-CG2 3.8Å; F100-T155 HydrophobicContact CG-CG2 4.32Å; L151-T155 WeakPolarHBondContact CA-OG1 3.3Å; L151-T155 WeakPolarHBondContact CB-OG1 3.48Å; D152-T155 PolarHBondContact N-OG1 2.92Å; D152-T155 PolarHBondContact O-N 3.21Å; D152-T155 PolarHBondContact O-OG1 2.95Å; D152-T155 WeakPolarHBondContact OD1-CB 3.08Å; D152-T155 WeakPolarHBondContact OD1-CG2 3.39Å; D152-T155 PolarHBondContact OD1-N 3.36Å; D152-T155 PolarHBondContact OD1-OG1 3.36Å; T155-L158 PolarHBondContact O-N 3.2Å; T155-Y159 WeakPolarHBondContact O-CB 3.37Å; T155-Y159 PolarHBondContact O-N 2.97Å
156L96.1Very high93.6Very high13 Ų1338.4 Ų38.47%0.06819%0.188CC..Hα-helixtrans-60.1-44.9167.4-72170.9000111.2L151 D152 L158 Y159 G160 V175 E178 A179 A182L151-L156 HydrophobicContact CB-CD2 3.88Å; L151-L156 HydrophobicContact CB-CG 3.88Å; L151-L156 HydrophobicContact CD1-CD2 3.91Å; D152-L156 WeakPolarHBondContact O-CG 3.38Å; D152-L156 PolarHBondContact O-N 3.42Å; L156-L158 PolarHBondContact O-N 3.47Å; L156-Y159 PolarHBondContact O-N 3.14Å; L156-G160 PolarHBondContact O-N 3.34Å; L156-V175 HydrophobicContact CD2-CG1 4.47Å; L156-V175 VanDerWaalsContact O-CG1 3.25Å; L156-V175 WeakPolarHBondContact O-CG1 3.45Å; L156-E178 HydrophobicContact CD1-CB 4.49Å; L156-A179 HydrophobicContact CB-CB 3.64Å; L156-A182 HydrophobicContact CD1-CB 4.23Å
157Y96.4Very high93.4Very high28 Ų2841.2 Ų41.211%0.1121%0.205CC..Hα-helixtrans-57.3-47.7172.9161.4-102.3000112L32 G153 F154 Y159 G160 V161 F176 H186 G188 A189 E192L32-Y157 HydrophobicContact CD2-CE1 3.89Å; G153-Y157 PolarHBondContact O-N 2.96Å; G153-Y157 VanDerWaalsContact O-N 3.1Å; F154-Y157 WeakPolarHBondContact O-CB 3.45Å; F154-Y157 PolarHBondContact O-N 3.25Å; Y157-Y159 VanDerWaalsContact C-N 3.32Å; Y157-Y159 PolarHBondContact O-N 3.25Å; Y157-G160 PolarHBondContact O-N 3.01Å; Y157-V161 HydrophobicContact CD2-CG2 4.21Å; Y157-V161 HydrophobicContact CE1-CG2 4.24Å; Y157-V161 HydrophobicContact CE2-CG2 3.72Å; Y157-V161 WeakPolarHBondContact O-CG2 3.26Å; Y157-V161 PolarHBondContact O-N 3.36Å; Y157-F176 HydrophobicContact CD2-CD1 4.41Å; Y157-F176 AromaticContact CD2-CE1 3.85Å; Y157-F176 HydrophobicContact CD2-CE1 3.85Å; Y157-F176 HydrophobicContact CE2-CE1 4.34Å; Y157-F176 WeakPolarHBondContact O-CE1 3.39Å; Y157-H186 AromaticContact CD1-NE2 3.5Å; Y157-H186 AromaticContact CD2-NE2 3.69Å; Y157-H186 AromaticContact CE1-NE2 3.78Å; Y157-H186 AromaticContact CE2-NE2 3.95Å; Y157-H186 AromaticContact CG-CD2 3.94Å; Y157-H186 AromaticContact CG-NE2 3.44Å; Y157-H186 AromaticContact CZ-NE2 3.98Å; Y157-G188 WeakPolarHBondContact CE2-O 3.46Å; Y157-A189 HydrophobicContact CD2-CB 4.09Å; Y157-E192 HydrophobicContact CE2-CG 4.01Å
158L96.3Very high93.4Very high2 Ų238.1 Ų38.11%0.0118%0.184CC..Hα-helixtrans-61.9-40.3177.2-179.160.4000112F100 M103 Y104 Y107 L142 F154 T155 L156 V161 V162F100-L158 HydrophobicContact CE2-CB 4.03Å; F100-L158 HydrophobicContact CE2-CD2 4.39Å; M103-L158 HydrophobicContact CB-CD2 3.54Å; Y104-L158 HydrophobicContact CD2-CD1 3.85Å; Y107-L158 HydrophobicContact CD1-CD1 4.17Å; Y107-L158 HydrophobicContact CG-CD1 4.12Å; L142-L158 HydrophobicContact CD1-CG 4.43Å; F154-L158 PolarHBondContact O-N 3.24Å; T155-L158 PolarHBondContact O-N 3.2Å; L156-L158 PolarHBondContact O-N 3.47Å; L158-V161 PolarHBondContact O-N 3.36Å; L158-V162 WeakPolarHBondContact O-CG2 3.36Å; L158-V162 PolarHBondContact O-N 3.15Å
159Y96.8Very high93.3Very high18 Ų1839.8 Ų39.87%0.07119%0.185CC..Hα-helixtrans-61.4-45.3176.1-178.2-136.2000111.4R139 L142 S143 H146 T155 L156 Y157 V161 V162 L163 V175R139-Y159 HydrophobicContact CG-CE2 4.31Å; L142-Y159 HydrophobicContact CB-CD2 3.48Å; L142-Y159 VanDerWaalsContact CB-CD2 3.48Å; L142-Y159 HydrophobicContact CB-CE2 4.07Å; L142-Y159 HydrophobicContact CB-CG 4.02Å; L142-Y159 HydrophobicContact CD1-CD2 4.15Å; L142-Y159 HydrophobicContact CG-CD2 4.45Å; S143-Y159 WeakPolarHBondContact CB-OH 3.27Å; H146-Y159 HydrophobicContact CB-CD1 4.37Å; H146-Y159 HydrophobicContact CB-CE1 4.06Å; H146-Y159 AromaticContact CG-CE1 3.9Å; T155-Y159 WeakPolarHBondContact O-CB 3.37Å; T155-Y159 PolarHBondContact O-N 2.97Å; L156-Y159 PolarHBondContact O-N 3.14Å; Y157-Y159 VanDerWaalsContact C-N 3.32Å; Y157-Y159 PolarHBondContact O-N 3.25Å; Y159-V161 VanDerWaalsContact C-N 3.32Å; Y159-V161 PolarHBondContact O-N 2.9Å; Y159-V162 PolarHBondContact O-N 3.08Å; Y159-L163 HydrophobicContact CD1-CD1 4.2Å; Y159-L163 HydrophobicContact CD2-CD1 4.31Å; Y159-L163 HydrophobicContact CD2-CG 4.16Å; Y159-L163 HydrophobicContact CE1-CD1 3.84Å; Y159-L163 HydrophobicContact CE2-CD1 3.98Å; Y159-L163 HydrophobicContact CE2-CD2 3.96Å; Y159-L163 HydrophobicContact CE2-CG 3.87Å; Y159-L163 HydrophobicContact CG-CD1 4.4Å; Y159-L163 WeakPolarHBondContact O-CG 3.43Å; Y159-L163 PolarHBondContact O-N 3.45Å; Y159-V175 HydrophobicContact CD1-CB 4.31Å; Y159-V175 HydrophobicContact CD1-CG1 3.59Å; Y159-V175 HydrophobicContact CD1-CG2 3.73Å; Y159-V175 HydrophobicContact CE1-CG1 4.37Å; Y159-V175 HydrophobicContact CE1-CG2 3.63Å; Y159-V175 HydrophobicContact CG-CG1 4.26Å
160G96.2Very high93.3Very high0 Ų037.1 Ų37.10%018%0.18CC..Hα-helixtrans-59-40.6172.900000112.8L156 Y157 L163 R164 F176L156-G160 PolarHBondContact O-N 3.34Å; Y157-G160 PolarHBondContact O-N 3.01Å; G160-L163 PolarHBondContact O-N 3.11Å; G160-R164 WeakPolarHBondContact O-CB 3.39Å; G160-R164 PolarHBondContact O-N 3.29Å; G160-F176 WeakPolarHBondContact O-CZ 3.24Å
161V95.4Very high93.5Very high6 Ų636.6 Ų36.64%0.03618%0.177CC..Hα-helixtrans-63.3-44.1175.91720000111.4Y107 Y157 L158 Y159 R164 K165 F176 E192Y107-V161 HydrophobicContact CE1-CG1 4.46Å; Y107-V161 HydrophobicContact CE2-CG1 4.29Å; Y157-V161 HydrophobicContact CD2-CG2 4.21Å; Y157-V161 HydrophobicContact CE1-CG2 4.24Å; Y157-V161 HydrophobicContact CE2-CG2 3.72Å; Y157-V161 WeakPolarHBondContact O-CG2 3.26Å; Y157-V161 PolarHBondContact O-N 3.36Å; L158-V161 PolarHBondContact O-N 3.36Å; Y159-V161 VanDerWaalsContact C-N 3.32Å; Y159-V161 PolarHBondContact O-N 2.9Å; V161-R164 PolarHBondContact O-N 3.01Å; V161-K165 HydrophobicContact CG1-CG 4.45Å; V161-K165 WeakPolarHBondContact O-CB 3.49Å; V161-K165 VanDerWaalsContact O-CG 3.26Å; V161-K165 WeakPolarHBondContact O-CG 3.49Å; V161-K165 PolarHBondContact O-N 3.47Å; V161-F176 HydrophobicContact CG2-CE1 4.26Å; V161-F176 HydrophobicContact CG2-CZ 4.11Å; V161-E192 HydrophobicContact CG2-CG 4.34Å
162V95.6Very high93.8Very high0 Ų035.5 Ų35.50%017%0.171CC..Hα-helixtrans-62.5-45.9176.7171.30000110.9Y107 L135 L138 R139 L142 L158 Y159 R164 K165 L166Y107-V162 HydrophobicContact CD2-CG2 4.29Å; L135-V162 HydrophobicContact CD2-CB 4.46Å; L135-V162 HydrophobicContact CD2-CG1 4.11Å; L135-V162 HydrophobicContact CD2-CG2 4.26Å; L138-V162 HydrophobicContact CB-CG1 4.39Å; L138-V162 HydrophobicContact CB-CG2 4.38Å; R139-V162 HydrophobicContact CB-CG1 3.96Å; L142-V162 HydrophobicContact CD1-CG2 4.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.36Å; L158-V162 PolarHBondContact O-N 3.15Å; Y159-V162 PolarHBondContact O-N 3.08Å; V162-R164 PolarHBondContact O-N 2.67Å; V162-K165 PolarHBondContact O-N 3.32Å; V162-L166 HydrophobicContact CG1-CD1 4.13Å; V162-L166 WeakPolarHBondContact O-CG 3.43Å; V162-L166 PolarHBondContact O-N 3.49Å; V162-L166 VanDerWaalsContact O-N 3.11Å
163L95.4Very high94Very high0 Ų035 Ų350%017%0.169CC..Hα-helixtrans-60.6-44.8176.7-70.4174000111.9R139 Y159 G160 K165 L166 D167 L168 E171 A172 V175R139-L163 HydrophobicContact CG-CD2 3.99Å; Y159-L163 HydrophobicContact CD1-CD1 4.2Å; Y159-L163 HydrophobicContact CD2-CD1 4.31Å; Y159-L163 HydrophobicContact CD2-CG 4.16Å; Y159-L163 HydrophobicContact CE1-CD1 3.84Å; Y159-L163 HydrophobicContact CE2-CD1 3.98Å; Y159-L163 HydrophobicContact CE2-CD2 3.96Å; Y159-L163 HydrophobicContact CE2-CG 3.87Å; Y159-L163 HydrophobicContact CG-CD1 4.4Å; Y159-L163 WeakPolarHBondContact O-CG 3.43Å; Y159-L163 PolarHBondContact O-N 3.45Å; G160-L163 PolarHBondContact O-N 3.11Å; L163-K165 PolarHBondContact O-N 3.47Å; L163-L166 CarbonylContact O-C 3.54Å; L163-L166 PolarHBondContact O-N 3.25Å; L163-L166 VanDerWaalsContact O-N 3.15Å; L163-D167 PolarHBondContact O-N 3.45Å; L163-L168 HydrophobicContact CB-CB 4.38Å; L163-L168 HydrophobicContact CD2-CB 4.29Å; L163-L168 HydrophobicContact CD2-CD1 3.81Å; L163-L168 PolarHBondContact O-N 3Å; L163-E171 HydrophobicContact CD1-CB 4.03Å; L163-A172 HydrophobicContact CB-CB 3.86Å; L163-V175 HydrophobicContact CD1-CB 4.37Å; L163-V175 HydrophobicContact CD1-CG2 3.83Å
164R92.7Very high94.1Very high48 Ų4840.6 Ų40.618%0.18119%0.192CC..Hα-helixtrans-60.1-44.6176.6-178.6-175.876.9125.2-6112G160 V161 V162 L166 D167 A172 E192 L196G160-R164 WeakPolarHBondContact O-CB 3.39Å; G160-R164 PolarHBondContact O-N 3.29Å; V161-R164 PolarHBondContact O-N 3.01Å; V162-R164 PolarHBondContact O-N 2.67Å; R164-L166 PolarHBondContact O-N 3.25Å; R164-D167 PolarHBondContact O-N 2.63Å; R164-A172 HydrophobicContact CB-CB 4.32Å; R164-E192 IonicContact CZ-OE1 3.66Å; R164-E192 VanDerWaalsContact CZ-OE1 3.22Å; R164-E192 IonicContact CZ-OE2 3.93Å; R164-E192 IonicContact NE-OE1 3.78Å; R164-E192 IonicContact NE-OE2 2.86Å; R164-E192 PolarHBondContact NE-OE2 3.19Å; R164-E192 IonicContact NH1-OE1 2.61Å; R164-E192 IonicContact NH1-OE2 3.27Å; R164-E192 PolarHBondContact NH1-OE2 2.93Å; R164-E192 VanDerWaalsContact NH2-CD 3.26Å; R164-E192 IonicContact NH2-OE1 2.61Å; R164-E192 PolarHBondContact NH2-OE1 2.76Å; R164-E192 IonicContact NH2-OE2 3.55Å; R164-E192 PolarHBondContact NH2-OE2 3.46Å; R164-E192 VanDerWaalsContact NH2-OE2 3.14Å; R164-L196 HydrophobicContact CG-CD2 4.06Å
165K89.9Confident94.2Very high37 Ų3740.7 Ų40.716%0.16119%0.193CC..Hα-helixtrans-67.1-21.7178.6-71-80.2-171.6149.90112.8Y107 E111 L135 V161 V162 L163 D167Y107-K165 WeakPolarHBondContact OH-CE 3.47Å; E111-K165 IonicContact OE2-NZ 3.45Å; E111-K165 PolarHBondContact OE2-NZ 2.86Å; E111-K165 VanDerWaalsContact OE2-NZ 3.15Å; L135-K165 HydrophobicContact CD1-CB 3.89Å; L135-K165 HydrophobicContact CD2-CB 4.17Å; V161-K165 HydrophobicContact CG1-CG 4.45Å; V161-K165 WeakPolarHBondContact O-CB 3.49Å; V161-K165 VanDerWaalsContact O-CG 3.26Å; V161-K165 WeakPolarHBondContact O-CG 3.49Å; V161-K165 PolarHBondContact O-N 3.47Å; V162-K165 PolarHBondContact O-N 3.32Å; L163-K165 PolarHBondContact O-N 3.47Å; K165-D167 VanDerWaalsContact C-N 3.33Å
166L91.3Very high94.2Very high36 Ų3640.5 Ų40.519%0.18819%0.192CC..THydrogen-bonded Turntrans-90.39.4172.4-70.3173.9000113.5L135 R139 V162 L163 R164 L168L135-L166 HydrophobicContact CB-CD1 4.27Å; L135-L166 HydrophobicContact CB-CD2 3.76Å; L135-L166 HydrophobicContact CB-CG 4.02Å; L135-L166 HydrophobicContact CD1-CD2 4.16Å; L135-L166 HydrophobicContact CD1-CG 4.42Å; R139-L166 HydrophobicContact CB-CD1 3.84Å; R139-L166 HydrophobicContact CG-CD1 4.14Å; V162-L166 HydrophobicContact CG1-CD1 4.13Å; V162-L166 WeakPolarHBondContact O-CG 3.43Å; V162-L166 PolarHBondContact O-N 3.49Å; V162-L166 VanDerWaalsContact O-N 3.11Å; L163-L166 CarbonylContact O-C 3.54Å; L163-L166 PolarHBondContact O-N 3.25Å; L163-L166 VanDerWaalsContact O-N 3.15Å; R164-L166 PolarHBondContact O-N 3.25Å; L166-L168 HydrophobicContact CB-CD1 4.27Å; L166-L168 HydrophobicContact CB-CG 4.3Å; L166-L168 PolarHBondContact O-N 3.26Å
167D89.7Confident94.2Very high106 Ų10640.4 Ų40.457%0.56719%0.192SC*.THydrogen-bonded Turntrans62.120-178.2-55.3-45.5000114.6L163 R164 K165 L169L163-D167 PolarHBondContact O-N 3.45Å; R164-D167 PolarHBondContact O-N 2.63Å; K165-D167 VanDerWaalsContact C-N 3.33Å; D167-L169 VanDerWaalsContact C-N 3.29Å; D167-L169 PolarHBondContact O-N 3.18Å; D167-L169 VanDerWaalsContact O-N 3.11Å
168L93.5Very high94.1Very high50 Ų5042.9 Ų42.926%0.26221%0.205SC..  trans-8865175.9-60.3172.8000110.5L163 L166 K170 A172L163-L168 HydrophobicContact CB-CB 4.38Å; L163-L168 HydrophobicContact CD2-CB 4.29Å; L163-L168 HydrophobicContact CD2-CD1 3.81Å; L163-L168 PolarHBondContact O-N 3Å; L166-L168 HydrophobicContact CB-CD1 4.27Å; L166-L168 HydrophobicContact CB-CG 4.3Å; L166-L168 PolarHBondContact O-N 3.26Å; L168-K170 PolarHBondContact O-N 3.26Å; L168-A172 WeakPolarHBondContact O-CB 3.5Å; L168-A172 PolarHBondContact O-N 3.24Å; L168-A172 VanDerWaalsContact O-N 3.08Å
169L91.8Very high94Very high89 Ų8942.9 Ų42.947%0.46621%0.205SC..Hα-helixtrans-65.5-36.6-165.5-53.3-178.8000114D167 A172 V173 L196D167-L169 VanDerWaalsContact C-N 3.29Å; D167-L169 PolarHBondContact O-N 3.18Å; D167-L169 VanDerWaalsContact O-N 3.11Å; L169-A172 PolarHBondContact O-N 3.14Å; L169-V173 WeakPolarHBondContact O-CG2 3.23Å; L169-V173 PolarHBondContact O-N 3.46Å; L169-V173 VanDerWaalsContact O-N 3.12Å; L169-L196 HydrophobicContact CB-CD2 4.45Å; L169-L196 HydrophobicContact CD2-CD2 3.71Å
170K91.9Very high93.9Very high177 Ų17742 Ų4277%0.7720%0.201SC*.Hα-helixtrans-67.1-50.9-177.6-66.3-175.6179.7-177.80111.8L168 A172 V173 E174L168-K170 PolarHBondContact O-N 3.26Å; K170-A172 VanDerWaalsContact C-N 3.29Å; K170-A172 PolarHBondContact O-N 3.4Å; K170-V173 PolarHBondContact O-N 3.4Å; K170-E174 PolarHBondContact O-N 3.46Å
171E93.9Very high93.7Very high96 Ų9646.7 Ų46.745%0.44922%0.223SC..Hα-helixtrans-61.5-39.5176.3-63.9172.4-168.500110.9L163 V173 E174 V175L163-E171 HydrophobicContact CD1-CB 4.03Å; E171-V173 VanDerWaalsContact C-N 3.33Å; E171-V173 PolarHBondContact O-N 3.31Å; E171-E174 PolarHBondContact O-N 2.95Å; E171-V175 WeakPolarHBondContact O-CG2 3.38Å; E171-V175 PolarHBondContact O-N 2.94Å
172A95.8Very high93.5Very high0 Ų049.4 Ų49.40%025%0.246CC..Hα-helixtrans-59.8-41.5176.900000112.3L163 R164 L168 L169 K170 V175 F176 L196L163-A172 HydrophobicContact CB-CB 3.86Å; R164-A172 HydrophobicContact CB-CB 4.32Å; L168-A172 WeakPolarHBondContact O-CB 3.5Å; L168-A172 PolarHBondContact O-N 3.24Å; L168-A172 VanDerWaalsContact O-N 3.08Å; L169-A172 PolarHBondContact O-N 3.14Å; K170-A172 VanDerWaalsContact C-N 3.29Å; K170-A172 PolarHBondContact O-N 3.4Å; A172-V175 PolarHBondContact O-N 2.9Å; A172-F176 HydrophobicContact CB-CD2 4.42Å; A172-F176 HydrophobicContact CB-CE2 4.21Å; A172-F176 WeakPolarHBondContact O-CB 3.33Å; A172-F176 WeakPolarHBondContact O-CD2 3.32Å; A172-F176 WeakPolarHBondContact O-CG 3.19Å; A172-F176 PolarHBondContact O-N 2.85Å; A172-L196 HydrophobicContact CB-CD1 4.02Å
173V94.8Very high93.4Very high9 Ų950.8 Ų50.86%0.05525%0.253CS..Hα-helixtrans-61.6-47.1177.2169.10000111.2L169 K170 E171 V175 F176 V177 L193 L196 M202 L206L169-V173 WeakPolarHBondContact O-CG2 3.23Å; L169-V173 PolarHBondContact O-N 3.46Å; L169-V173 VanDerWaalsContact O-N 3.12Å; K170-V173 PolarHBondContact O-N 3.4Å; E171-V173 VanDerWaalsContact C-N 3.33Å; E171-V173 PolarHBondContact O-N 3.31Å; V173-V175 PolarHBondContact O-N 2.93Å; V173-F176 PolarHBondContact O-N 2.69Å; V173-V177 WeakPolarHBondContact O-CG2 3.34Å; V173-V177 PolarHBondContact O-N 3.48Å; V173-L193 HydrophobicContact CB-CD1 4.45Å; V173-L193 HydrophobicContact CG1-CD1 3.98Å; V173-L193 HydrophobicContact CG2-CD1 4.35Å; V173-L196 HydrophobicContact CG2-CB 3.82Å; V173-L196 HydrophobicContact CG2-CD1 3.83Å; V173-L196 HydrophobicContact CG2-CG 4.43Å; V173-M202 HydrophobicContact CB-CE 4.35Å; V173-M202 HydrophobicContact CG1-CE 4.01Å; V173-M202 HydrophobicContact CG2-CE 3.75Å; V173-L206 HydrophobicContact CG1-CD2 3.73Å
174E93.7Very high93.1Very high129 Ų12951.5 Ų51.560%0.60326%0.258SS*.Hα-helixtrans-59.6-47.9178.7-67.3173.3-173.100111K170 E171 F176 V177 E178K170-E174 PolarHBondContact O-N 3.46Å; E171-E174 PolarHBondContact O-N 2.95Å; E174-F176 PolarHBondContact O-N 3.2Å; E174-V177 PolarHBondContact O-N 3.14Å; E174-E178 WeakPolarHBondContact O-CG 3.45Å; E174-E178 PolarHBondContact O-N 3.42Å
175V95.9Very high93Very high7 Ų749.8 Ų49.84%0.04225%0.253CS..Hα-helixtrans-63.6-38.3178.31720000112.2L156 Y159 L163 E171 A172 V173 E178 A179L156-V175 HydrophobicContact CD2-CG1 4.47Å; L156-V175 VanDerWaalsContact O-CG1 3.25Å; L156-V175 WeakPolarHBondContact O-CG1 3.45Å; Y159-V175 HydrophobicContact CD1-CB 4.31Å; Y159-V175 HydrophobicContact CD1-CG1 3.59Å; Y159-V175 HydrophobicContact CD1-CG2 3.73Å; Y159-V175 HydrophobicContact CE1-CG1 4.37Å; Y159-V175 HydrophobicContact CE1-CG2 3.63Å; Y159-V175 HydrophobicContact CG-CG1 4.26Å; L163-V175 HydrophobicContact CD1-CB 4.37Å; L163-V175 HydrophobicContact CD1-CG2 3.83Å; E171-V175 WeakPolarHBondContact O-CG2 3.38Å; E171-V175 PolarHBondContact O-N 2.94Å; A172-V175 PolarHBondContact O-N 2.9Å; V173-V175 PolarHBondContact O-N 2.93Å; V175-E178 PolarHBondContact O-N 3.18Å; V175-A179 WeakPolarHBondContact O-CB 3.42Å; V175-A179 PolarHBondContact O-N 3.08Å
176F96.2Very high93.2Very high0 Ų048.1 Ų48.10%025%0.245CC..Hα-helixtrans-67.5-37175.9-75.6-52000112.3Y157 G160 V161 A172 V173 E174 E178 A179 I180 A189 E192 L193 L196Y157-F176 HydrophobicContact CD2-CD1 4.41Å; Y157-F176 AromaticContact CD2-CE1 3.85Å; Y157-F176 HydrophobicContact CD2-CE1 3.85Å; Y157-F176 HydrophobicContact CE2-CE1 4.34Å; Y157-F176 WeakPolarHBondContact O-CE1 3.39Å; G160-F176 WeakPolarHBondContact O-CZ 3.24Å; V161-F176 HydrophobicContact CG2-CE1 4.26Å; V161-F176 HydrophobicContact CG2-CZ 4.11Å; A172-F176 HydrophobicContact CB-CD2 4.42Å; A172-F176 HydrophobicContact CB-CE2 4.21Å; A172-F176 WeakPolarHBondContact O-CB 3.33Å; A172-F176 WeakPolarHBondContact O-CD2 3.32Å; A172-F176 WeakPolarHBondContact O-CG 3.19Å; A172-F176 PolarHBondContact O-N 2.85Å; V173-F176 PolarHBondContact O-N 2.69Å; E174-F176 PolarHBondContact O-N 3.2Å; F176-E178 VanDerWaalsContact C-N 3.35Å; F176-A179 WeakPolarHBondContact O-CB 3.38Å; F176-A179 PolarHBondContact O-N 3.44Å; F176-I180 WeakPolarHBondContact O-CB 3.44Å; F176-I180 WeakPolarHBondContact O-CD1 3.18Å; F176-I180 WeakPolarHBondContact O-CG1 3.13Å; F176-I180 PolarHBondContact O-N 2.93Å; F176-A189 HydrophobicContact CD1-CB 4.43Å; F176-E192 HydrophobicContact CE1-CB 3.94Å; F176-E192 HydrophobicContact CE2-CB 3.91Å; F176-E192 HydrophobicContact CZ-CB 3.55Å; F176-E192 HydrophobicContact CZ-CG 4.27Å; F176-L193 HydrophobicContact CB-CB 4.33Å; F176-L193 HydrophobicContact CB-CD1 4.32Å; F176-L196 HydrophobicContact CD2-CD1 3.7Å; F176-L196 HydrophobicContact CE2-CD1 3.69Å
177V94.9Very high93.3Very high11 Ų1146.9 Ų46.97%0.06724%0.238CC..Hα-helixtrans-63-43.7173.21730000110.5V173 E174 A179 I180 Q181 L193 L206 L208V173-V177 WeakPolarHBondContact O-CG2 3.34Å; V173-V177 PolarHBondContact O-N 3.48Å; E174-V177 PolarHBondContact O-N 3.14Å; V177-A179 PolarHBondContact O-N 3.5Å; V177-I180 PolarHBondContact O-N 3.25Å; V177-Q181 VanDerWaalsContact O-CG 3.31Å; V177-Q181 WeakPolarHBondContact O-CG 3.39Å; V177-Q181 PolarHBondContact O-N 3.28Å; V177-L193 HydrophobicContact CG2-CD2 4.41Å; V177-L206 HydrophobicContact CG2-CD2 4Å; V177-L208 HydrophobicContact CG2-CD2 4.4Å
178E94.3Very high93.5Very high80 Ų8042 Ų4237%0.37421%0.213SC..Hα-helixtrans-60.7-43.4173.7-69.7-178.9177.600112H146 L156 E174 V175 F176 I180 Q181 A182H146-E178 IonicContact CD2-OE2 3.52Å; H146-E178 IonicContact CE1-OE2 3.58Å; H146-E178 IonicContact NE2-OE2 2.86Å; H146-E178 PolarHBondContact NE2-OE2 3.26Å; L156-E178 HydrophobicContact CD1-CB 4.49Å; E174-E178 WeakPolarHBondContact O-CG 3.45Å; E174-E178 PolarHBondContact O-N 3.42Å; V175-E178 PolarHBondContact O-N 3.18Å; F176-E178 VanDerWaalsContact C-N 3.35Å; E178-I180 VanDerWaalsContact C-N 3.31Å; E178-I180 PolarHBondContact O-N 2.83Å; E178-Q181 PolarHBondContact O-N 2.88Å; E178-A182 WeakPolarHBondContact O-CB 3.36Å; E178-A182 PolarHBondContact O-N 2.94Å
179A94.6Very high93.5Very high1 Ų139.6 Ų39.61%0.00820%0.201CC..Hα-helixtrans-59.8-42.5176.700000111.7L156 V175 F176 V177 A182 L183 A189L156-A179 HydrophobicContact CB-CB 3.64Å; V175-A179 WeakPolarHBondContact O-CB 3.42Å; V175-A179 PolarHBondContact O-N 3.08Å; F176-A179 WeakPolarHBondContact O-CB 3.38Å; F176-A179 PolarHBondContact O-N 3.44Å; V177-A179 PolarHBondContact O-N 3.5Å; A179-A182 PolarHBondContact O-N 3.07Å; A179-L183 PolarHBondContact O-N 3.2Å; A179-A189 HydrophobicContact CB-CB 4.38Å
180I94.3Very high93.7Very high0 Ų035.4 Ų35.40%018%0.178CC..Hα-helixtrans-67.7-39.4178.1-74.6163.9000111.3F176 V177 E178 A182 L183 P184 A189 W190 L193 P209F176-I180 WeakPolarHBondContact O-CB 3.44Å; F176-I180 WeakPolarHBondContact O-CD1 3.18Å; F176-I180 WeakPolarHBondContact O-CG1 3.13Å; F176-I180 PolarHBondContact O-N 2.93Å; V177-I180 PolarHBondContact O-N 3.25Å; E178-I180 VanDerWaalsContact C-N 3.31Å; E178-I180 PolarHBondContact O-N 2.83Å; I180-A182 VanDerWaalsContact C-N 3.32Å; I180-L183 CarbonylContact O-C 3.27Å; I180-P184 WeakPolarHBondContact O-CA 3.33Å; I180-P184 VanDerWaalsContact O-N 3.09Å; I180-A189 HydrophobicContact CD1-CB 4.35Å; I180-A189 HydrophobicContact CG1-CB 3.73Å; I180-W190 HydrophobicContact CB-CZ2 4.4Å; I180-W190 HydrophobicContact CD1-CD2 3.79Å; I180-W190 HydrophobicContact CD1-CE3 3.78Å; I180-W190 HydrophobicContact CD1-CG 4.21Å; I180-W190 HydrophobicContact CD1-CZ3 4.28Å; I180-W190 HydrophobicContact CG1-CD2 4Å; I180-W190 HydrophobicContact CG1-CE3 4.41Å; I180-W190 HydrophobicContact CG1-CG 4.31Å; I180-W190 HydrophobicContact CG1-CZ2 4.46Å; I180-W190 HydrophobicContact CG2-CD2 4.17Å; I180-W190 HydrophobicContact CG2-CE3 4.28Å; I180-W190 HydrophobicContact CG2-CH2 3.38Å; I180-W190 HydrophobicContact CG2-CZ2 3.18Å; I180-W190 HydrophobicContact CG2-CZ3 3.93Å; I180-L193 HydrophobicContact CD1-CB 4.38Å; I180-L193 HydrophobicContact CD1-CD2 3.57Å; I180-P209 VanDerWaalsContact CG2-CD 3.49Å; I180-P209 HydrophobicContact CG2-CG 3.47Å; I180-P209 VanDerWaalsContact CG2-CG 3.47Å
181Q92.8Very high93.8Very high99 Ų9930 Ų3046%0.46316%0.157SC..Hα-helixtrans-66.1-35.4174.9-72.3173.90.800111.9V177 E178 S207V177-Q181 VanDerWaalsContact O-CG 3.31Å; V177-Q181 WeakPolarHBondContact O-CG 3.39Å; V177-Q181 PolarHBondContact O-N 3.28Å; E178-Q181 PolarHBondContact O-N 2.88Å; Q181-S207 PolarHBondContact NE2-O 3.36Å; Q181-S207 VanDerWaalsContact NE2-O 3.08Å
182A91.8Very high93.7Very high63 Ų6326.6 Ų26.652%0.52114%0.142SC..Hα-helixtrans-74.2-43.4176.100000112.6L156 E178 A179 I180L156-A182 HydrophobicContact CD1-CB 4.23Å; E178-A182 WeakPolarHBondContact O-CB 3.36Å; E178-A182 PolarHBondContact O-N 2.94Å; A179-A182 PolarHBondContact O-N 3.07Å; I180-A182 VanDerWaalsContact C-N 3.32Å
183L91.8Very high93.6Very high28 Ų2826.6 Ų26.615%0.14714%0.142CC..  trans-138.282.1-176.3-171.771.1000111.2F154 A179 I180 L185 H186F154-L183 HydrophobicContact CD1-CD2 3.89Å; F154-L183 HydrophobicContact CD2-CD2 3.87Å; F154-L183 HydrophobicContact CE1-CD2 3.49Å; F154-L183 VanDerWaalsContact CE1-CD2 3.49Å; F154-L183 HydrophobicContact CE2-CD2 3.5Å; F154-L183 VanDerWaalsContact CE2-CD2 3.5Å; F154-L183 HydrophobicContact CG-CD2 4.08Å; F154-L183 HydrophobicContact CZ-CD2 3.31Å; A179-L183 PolarHBondContact O-N 3.2Å; I180-L183 CarbonylContact O-C 3.27Å; L183-L185 PolarHBondContact O-N 2.76Å; L183-H186 HydrophobicContact CD2-CB 3.63Å; L183-H186 HydrophobicContact CG-CB 4.01Å; L183-H186 PolarHBondContact O-N 3.25Å
184P89.8Confident93.4Very high15 Ų1526.2 Ų26.210%0.09714%0.14CC..THydrogen-bonded Turntrans-68.3-21.8-17425.9-34.6000112.9I180 H186 W190 P209 C211I180-P184 WeakPolarHBondContact O-CA 3.33Å; I180-P184 VanDerWaalsContact O-N 3.09Å; P184-H186 VanDerWaalsContact C-N 3.3Å; P184-H186 PolarHBondContact O-N 2.93Å; P184-W190 PolarHBondContact O-NE1 3.12Å; P184-P209 HydrophobicContact CB-CG 4.45Å; P184-C211 HydrophobicContact CB-CB 4.36Å
185L90.1Very high93.1Very high13 Ų1324 Ų247%0.06813%0.132CC..THydrogen-bonded Turntrans-78.9-11.6-174.8-57.1170.8000114.8Q19 V23 L183 W187 W212 I213Q19-L185 HydrophobicContact CB-CD1 4.04Å; Q19-L185 HydrophobicContact CB-CD2 4.45Å; Q19-L185 HydrophobicContact CG-CD1 4.44Å; V23-L185 HydrophobicContact CB-CB 4.37Å; V23-L185 HydrophobicContact CG1-CB 4.31Å; V23-L185 HydrophobicContact CG2-CB 3.32Å; V23-L185 HydrophobicContact CG2-CD1 3.48Å; V23-L185 VanDerWaalsContact CG2-CD1 3.48Å; V23-L185 HydrophobicContact CG2-CG 4.02Å; L183-L185 PolarHBondContact O-N 2.76Å; L185-W187 PolarHBondContact O-N 3.48Å; L185-W212 HydrophobicContact CD2-CZ2 3.92Å; L185-I213 VanDerWaalsContact CA-CD1 3.41Å; L185-I213 HydrophobicContact CB-CD1 4.09Å; L185-I213 HydrophobicContact CD2-CD1 3.57Å; L185-I213 HydrophobicContact CG-CD1 4.39Å
186H93.8Very high92.8Very high2 Ų224.7 Ų24.71%0.00914%0.135CC..  trans-85.9104.1-176.5175.744.6000112.2S35 F154 Y157 L183 P184 G188 A189 W190S35-H186 PolarHBondContact OG-CE1 3.15Å; F154-H186 HydrophobicContact CE1-CB 4.42Å; Y157-H186 AromaticContact CD1-NE2 3.5Å; Y157-H186 AromaticContact CD2-NE2 3.69Å; Y157-H186 AromaticContact CE1-NE2 3.78Å; Y157-H186 AromaticContact CE2-NE2 3.95Å; Y157-H186 AromaticContact CG-CD2 3.94Å; Y157-H186 AromaticContact CG-NE2 3.44Å; Y157-H186 AromaticContact CZ-NE2 3.98Å; L183-H186 HydrophobicContact CD2-CB 3.63Å; L183-H186 HydrophobicContact CG-CB 4.01Å; L183-H186 PolarHBondContact O-N 3.25Å; P184-H186 VanDerWaalsContact C-N 3.3Å; P184-H186 PolarHBondContact O-N 2.93Å; H186-G188 VanDerWaalsContact C-N 3.25Å; H186-G188 PolarHBondContact CE1-N 3.16Å; H186-G188 PolarHBondContact O-N 3.33Å; H186-A189 PolarHBondContact O-N 2.86Å; H186-W190 VanDerWaalsContact O-CD1 3.25Å
187W94.1Very high92.4Very high9 Ų924.7 Ų24.73%0.03414%0.135CC..Hα-helixtrans-57.8-30.2-179.4-177.5-119.4000115.2W38 L185 A189 W190 L191 I213 F216 F217 H220 Y248W38-W187 AromaticContact CD1-CD1 3.83Å; W38-W187 AromaticContact CD1-NE1 3.74Å; W38-W187 HydrophobicContact CD2-CB 3.81Å; W38-W187 AromaticContact CD2-CD1 3.53Å; W38-W187 AromaticContact CD2-CD2 3.94Å; W38-W187 HydrophobicContact CD2-CD2 3.94Å; W38-W187 AromaticContact CD2-CG 3.47Å; W38-W187 HydrophobicContact CD2-CG 3.47Å; W38-W187 VanDerWaalsContact CD2-CG 3.47Å; W38-W187 AromaticContact CE2-CD1 3.82Å; W38-W187 AromaticContact CE2-CD2 3.62Å; W38-W187 AromaticContact CE2-CE2 3.76Å; W38-W187 AromaticContact CE2-CG 3.7Å; W38-W187 AromaticContact CE2-NE1 3.85Å; W38-W187 HydrophobicContact CE3-CB 3.37Å; W38-W187 HydrophobicContact CE3-CD2 4.21Å; W38-W187 AromaticContact CE3-CG 3.58Å; W38-W187 HydrophobicContact CE3-CG 3.58Å; W38-W187 HydrophobicContact CG-CB 4.49Å; W38-W187 AromaticContact CG-CD1 3.5Å; W38-W187 VanDerWaalsContact CG-CD1 3.5Å; W38-W187 AromaticContact CG-CG 3.97Å; W38-W187 HydrophobicContact CG-CG 3.97Å; W38-W187 AromaticContact CG-NE1 3.9Å; W38-W187 HydrophobicContact CH2-CB 4.15Å; W38-W187 AromaticContact CH2-CD2 3.83Å; W38-W187 HydrophobicContact CH2-CD2 3.83Å; W38-W187 AromaticContact CH2-CE3 3.64Å; W38-W187 HydrophobicContact CH2-CE3 3.64Å; W38-W187 HydrophobicContact CH2-CG 4.06Å; W38-W187 HydrophobicContact CH2-CZ3 4.35Å; W38-W187 AromaticContact CZ2-CD2 3.54Å; W38-W187 HydrophobicContact CZ2-CD2 3.54Å; W38-W187 AromaticContact CZ2-CE2 3.96Å; W38-W187 AromaticContact CZ2-CE3 3.56Å; W38-W187 HydrophobicContact CZ2-CE3 3.56Å; W38-W187 AromaticContact CZ2-CG 3.97Å; W38-W187 HydrophobicContact CZ2-CG 3.97Å; W38-W187 HydrophobicContact CZ2-CH2 4.42Å; W38-W187 HydrophobicContact CZ2-CZ2 4.39Å; W38-W187 HydrophobicContact CZ2-CZ3 4.02Å; W38-W187 HydrophobicContact CZ3-CB 3.57Å; W38-W187 HydrophobicContact CZ3-CD2 4.18Å; W38-W187 HydrophobicContact CZ3-CE3 4.27Å; W38-W187 AromaticContact CZ3-CG 3.89Å; W38-W187 HydrophobicContact CZ3-CG 3.89Å; W38-W187 AromaticContact NE1-CE2 3.84Å; W38-W187 AromaticContact NE1-NE1 3.7Å; L185-W187 PolarHBondContact O-N 3.48Å; W187-A189 VanDerWaalsContact C-N 3.28Å; W187-A189 PolarHBondContact O-N 2.59Å; W187-W190 HydrophobicContact CE3-CB 3.83Å; W187-W190 HydrophobicContact CE3-CG 4.36Å; W187-W190 HydrophobicContact CZ3-CB 3.91Å; W187-W190 PolarHBondContact O-N 2.98Å; W187-W190 VanDerWaalsContact O-N 3.16Å; W187-L191 HydrophobicContact CZ2-CB 4.47Å; W187-L191 HydrophobicContact CZ2-CD1 4.24Å; W187-L191 WeakPolarHBondContact O-CB 3.46Å; W187-L191 PolarHBondContact O-N 2.92Å; W187-I213 HydrophobicContact CE3-CG2 4.29Å; W187-F216 HydrophobicContact CZ3-CB 4.19Å; W187-F217 HydrophobicContact CZ3-CB 4.34Å; W187-H220 HydrophobicContact CH2-CB 4.35Å; W187-Y248 WeakPolarHBondContact CZ2-OH 3.39Å
188G94.1Very high91.8Very high3 Ų327.2 Ų27.23%0.03115%0.151CC..Hα-helixtrans-57.1-41.2-177.800000112.9S35 Y157 H186 L191 E192S35-G188 PolarHBondContact OG-N 3.2Å; Y157-G188 WeakPolarHBondContact CE2-O 3.46Å; H186-G188 VanDerWaalsContact C-N 3.25Å; H186-G188 PolarHBondContact CE1-N 3.16Å; H186-G188 PolarHBondContact O-N 3.33Å; G188-L191 PolarHBondContact O-N 2.87Å; G188-E192 WeakPolarHBondContact O-CG 3.42Å; G188-E192 PolarHBondContact O-N 2.93Å
189A94.5Very high91.3Very high1 Ų128 Ų281%0.00816%0.157CC..Hα-helixtrans-66.8-41.2178.400000112.4Y157 F176 A179 I180 H186 W187 L193Y157-A189 HydrophobicContact CD2-CB 4.09Å; F176-A189 HydrophobicContact CD1-CB 4.43Å; A179-A189 HydrophobicContact CB-CB 4.38Å; I180-A189 HydrophobicContact CD1-CB 4.35Å; I180-A189 HydrophobicContact CG1-CB 3.73Å; H186-A189 PolarHBondContact O-N 2.86Å; W187-A189 VanDerWaalsContact C-N 3.28Å; W187-A189 PolarHBondContact O-N 2.59Å; A189-L193 VanDerWaalsContact O-CB 3.25Å; A189-L193 WeakPolarHBondContact O-CB 3.39Å; A189-L193 PolarHBondContact O-N 3.41Å
190W95.1Very high90.9Very high0 Ų031 Ų310%017%0.172CC..Hα-helixtrans-65.7-42.3176.2-6298.9000112.5I180 P184 H186 W187 L193 S194 L208 P209 I213 K214 F217I180-W190 HydrophobicContact CB-CZ2 4.4Å; I180-W190 HydrophobicContact CD1-CD2 3.79Å; I180-W190 HydrophobicContact CD1-CE3 3.78Å; I180-W190 HydrophobicContact CD1-CG 4.21Å; I180-W190 HydrophobicContact CD1-CZ3 4.28Å; I180-W190 HydrophobicContact CG1-CD2 4Å; I180-W190 HydrophobicContact CG1-CE3 4.41Å; I180-W190 HydrophobicContact CG1-CG 4.31Å; I180-W190 HydrophobicContact CG1-CZ2 4.46Å; I180-W190 HydrophobicContact CG2-CD2 4.17Å; I180-W190 HydrophobicContact CG2-CE3 4.28Å; I180-W190 HydrophobicContact CG2-CH2 3.38Å; I180-W190 HydrophobicContact CG2-CZ2 3.18Å; I180-W190 HydrophobicContact CG2-CZ3 3.93Å; P184-W190 PolarHBondContact O-NE1 3.12Å; H186-W190 VanDerWaalsContact O-CD1 3.25Å; W187-W190 HydrophobicContact CE3-CB 3.83Å; W187-W190 HydrophobicContact CE3-CG 4.36Å; W187-W190 HydrophobicContact CZ3-CB 3.91Å; W187-W190 PolarHBondContact O-N 2.98Å; W187-W190 VanDerWaalsContact O-N 3.16Å; W190-L193 PolarHBondContact O-N 2.95Å; W190-S194 PolarHBondContact O-N 3.29Å; W190-L208 HydrophobicContact CZ3-CB 4.45Å; W190-L208 HydrophobicContact CZ3-CD1 4.25Å; W190-L208 HydrophobicContact CZ3-CD2 4.04Å; W190-L208 HydrophobicContact CZ3-CG 4.48Å; W190-P209 HydrophobicContact CH2-CG 4.17Å; W190-P209 HydrophobicContact CZ2-CG 4.31Å; W190-I213 HydrophobicContact CD2-CG2 4.35Å; W190-I213 HydrophobicContact CG-CG2 4.26Å; W190-I213 HydrophobicContact CZ2-CG2 4.41Å; W190-K214 HydrophobicContact CH2-CB 4.21Å; W190-F217 HydrophobicContact CB-CB 4.47Å; W190-F217 HydrophobicContact CB-CD2 3.93Å; W190-F217 HydrophobicContact CD2-CB 4.19Å; W190-F217 HydrophobicContact CD2-CD2 4.44Å; W190-F217 HydrophobicContact CD2-CG 4.31Å; W190-F217 HydrophobicContact CE3-CB 3.62Å; W190-F217 AromaticContact CE3-CD1 3.75Å; W190-F217 HydrophobicContact CE3-CD1 3.75Å; W190-F217 AromaticContact CE3-CD2 3.71Å; W190-F217 HydrophobicContact CE3-CD2 3.71Å; W190-F217 HydrophobicContact CE3-CE1 4.29Å; W190-F217 HydrophobicContact CE3-CE2 4.24Å; W190-F217 AromaticContact CE3-CG 3.4Å; W190-F217 HydrophobicContact CE3-CG 3.4Å; W190-F217 HydrophobicContact CE3-CZ 4.49Å; W190-F217 HydrophobicContact CZ3-CB 4.13Å; W190-F217 AromaticContact CZ3-CD1 3.84Å; W190-F217 HydrophobicContact CZ3-CD1 3.84Å; W190-F217 HydrophobicContact CZ3-CE1 4.37Å; W190-F217 AromaticContact CZ3-CG 3.95Å; W190-F217 HydrophobicContact CZ3-CG 3.95Å; W190-F217 WeakPolarHBondContact O-CE2 3.05Å
191L93.8Very high90.5Very high63 Ų6338.4 Ų38.433%0.3321%0.207SC..Hα-helixtrans-68.1-36.5179.3-176.164.9000112.2W187 G188 S194 N195W187-L191 HydrophobicContact CZ2-CB 4.47Å; W187-L191 HydrophobicContact CZ2-CD1 4.24Å; W187-L191 WeakPolarHBondContact O-CB 3.46Å; W187-L191 PolarHBondContact O-N 2.92Å; G188-L191 PolarHBondContact O-N 2.87Å; L191-S194 PolarHBondContact O-N 2.99Å; L191-S194 PolarHBondContact O-OG 3.18Å; L191-N195 PolarHBondContact O-N 3.1Å; L191-N195 PolarHBondContact O-ND2 3.15Å
192E92.9Very high90.3Very high25 Ų2536.3 Ų36.312%0.11720%0.198CC..Hα-helixtrans-75-34.8175.2-68.5-69.9-157.800112.1Y157 V161 R164 F176 G188 S194 N195 L196Y157-E192 HydrophobicContact CE2-CG 4.01Å; V161-E192 HydrophobicContact CG2-CG 4.34Å; R164-E192 IonicContact CZ-OE1 3.66Å; R164-E192 VanDerWaalsContact CZ-OE1 3.22Å; R164-E192 IonicContact CZ-OE2 3.93Å; R164-E192 IonicContact NE-OE1 3.78Å; R164-E192 IonicContact NE-OE2 2.86Å; R164-E192 PolarHBondContact NE-OE2 3.19Å; R164-E192 IonicContact NH1-OE1 2.61Å; R164-E192 IonicContact NH1-OE2 3.27Å; R164-E192 PolarHBondContact NH1-OE2 2.93Å; R164-E192 VanDerWaalsContact NH2-CD 3.26Å; R164-E192 IonicContact NH2-OE1 2.61Å; R164-E192 PolarHBondContact NH2-OE1 2.76Å; R164-E192 IonicContact NH2-OE2 3.55Å; R164-E192 PolarHBondContact NH2-OE2 3.46Å; R164-E192 VanDerWaalsContact NH2-OE2 3.14Å; F176-E192 HydrophobicContact CE1-CB 3.94Å; F176-E192 HydrophobicContact CE2-CB 3.91Å; F176-E192 HydrophobicContact CZ-CB 3.55Å; F176-E192 HydrophobicContact CZ-CG 4.27Å; G188-E192 WeakPolarHBondContact O-CG 3.42Å; G188-E192 PolarHBondContact O-N 2.93Å; E192-S194 VanDerWaalsContact C-N 3.29Å; E192-S194 PolarHBondContact O-N 3.36Å; E192-N195 PolarHBondContact O-N 3.03Å; E192-N195 PolarHBondContact OE2-ND2 3.45Å; E192-L196 WeakPolarHBondContact O-CG 3.49Å; E192-L196 PolarHBondContact O-N 2.6Å
193L93.3Very high90.1Very high0 Ų033.9 Ų33.90%018%0.176CC..Hα-helixtrans-62-38171.1-177.563.6000111.4V173 F176 V177 I180 A189 W190 N195 L196 I197 L206 L208 F217V173-L193 HydrophobicContact CB-CD1 4.45Å; V173-L193 HydrophobicContact CG1-CD1 3.98Å; V173-L193 HydrophobicContact CG2-CD1 4.35Å; F176-L193 HydrophobicContact CB-CB 4.33Å; F176-L193 HydrophobicContact CB-CD1 4.32Å; V177-L193 HydrophobicContact CG2-CD2 4.41Å; I180-L193 HydrophobicContact CD1-CB 4.38Å; I180-L193 HydrophobicContact CD1-CD2 3.57Å; A189-L193 VanDerWaalsContact O-CB 3.25Å; A189-L193 WeakPolarHBondContact O-CB 3.39Å; A189-L193 PolarHBondContact O-N 3.41Å; W190-L193 PolarHBondContact O-N 2.95Å; L193-N195 VanDerWaalsContact C-N 3.32Å; L193-N195 PolarHBondContact O-N 3.14Å; L193-L196 PolarHBondContact O-N 3.24Å; L193-L196 VanDerWaalsContact O-N 3.09Å; L193-I197 HydrophobicContact CD1-CD1 4.23Å; L193-I197 HydrophobicContact CD1-CG1 4.25Å; L193-I197 HydrophobicContact CD2-CD1 4.38Å; L193-I197 HydrophobicContact CG-CD1 3.89Å; L193-I197 HydrophobicContact CG-CG1 4.34Å; L193-I197 WeakPolarHBondContact O-CG1 3.49Å; L193-I197 PolarHBondContact O-N 3.27Å; L193-I197 VanDerWaalsContact O-N 3.15Å; L193-L206 HydrophobicContact CD1-CD1 4.46Å; L193-L208 HydrophobicContact CD2-CD2 3.99Å; L193-F217 HydrophobicContact CB-CE2 4.42Å; L193-F217 HydrophobicContact CD2-CE2 4.28Å; L193-F217 HydrophobicContact CD2-CZ 3.94Å; L193-F217 HydrophobicContact CG-CE2 4.35Å; L193-F217 HydrophobicContact CG-CZ 4.22Å
194S91.1Very high90Very high2 Ų240.9 Ų40.91%0.01421%0.206CC..Hα-helixtrans-62.8-39.6-179.169.50000112.9W190 L191 E192 L196 H220 M221W190-S194 PolarHBondContact O-N 3.29Å; L191-S194 PolarHBondContact O-N 2.99Å; L191-S194 PolarHBondContact O-OG 3.18Å; E192-S194 VanDerWaalsContact C-N 3.29Å; E192-S194 PolarHBondContact O-N 3.36Å; S194-L196 PolarHBondContact O-N 3.32Å; S194-H220 PolarHBondContact OG-CD2 3.28Å; S194-H220 PolarHBondContact OG-NE2 3.06Å; S194-M221 WeakPolarHBondContact CA-SD 3.4Å; S194-M221 WeakPolarHBondContact CB-SD 3.26Å
195N87.1Confident90Very high83 Ų8344.4 Ų44.444%0.44423%0.231SC..Hα-helixtrans-64.4-26.8176.5-65.7-38.1000113.1L191 E192 L193L191-N195 PolarHBondContact O-N 3.1Å; L191-N195 PolarHBondContact O-ND2 3.15Å; E192-N195 PolarHBondContact O-N 3.03Å; E192-N195 PolarHBondContact OE2-ND2 3.45Å; L193-N195 VanDerWaalsContact C-N 3.32Å; L193-N195 PolarHBondContact O-N 3.14Å
196L88.9Confident90Very high20 Ų2045.5 Ų45.511%0.10524%0.236CC..Hα-helixtrans-86.9-32.5-177.3-68.2178.1000113.6R164 L169 A172 V173 F176 E192 L193 S194 T198R164-L196 HydrophobicContact CG-CD2 4.06Å; L169-L196 HydrophobicContact CB-CD2 4.45Å; L169-L196 HydrophobicContact CD2-CD2 3.71Å; A172-L196 HydrophobicContact CB-CD1 4.02Å; V173-L196 HydrophobicContact CG2-CB 3.82Å; V173-L196 HydrophobicContact CG2-CD1 3.83Å; V173-L196 HydrophobicContact CG2-CG 4.43Å; F176-L196 HydrophobicContact CD2-CD1 3.7Å; F176-L196 HydrophobicContact CE2-CD1 3.69Å; E192-L196 WeakPolarHBondContact O-CG 3.49Å; E192-L196 PolarHBondContact O-N 2.6Å; L193-L196 PolarHBondContact O-N 3.24Å; L193-L196 VanDerWaalsContact O-N 3.09Å; S194-L196 PolarHBondContact O-N 3.32Å; L196-T198 PolarHBondContact O-N 3.23Å
197I88.1Confident89.8Confident0 Ų049.4 Ų49.40%026%0.264CS..  trans-69.5120-176.2-68.4170.2000109.8L193 M202 L203 L206 F217 M221 R381L193-I197 HydrophobicContact CD1-CD1 4.23Å; L193-I197 HydrophobicContact CD1-CG1 4.25Å; L193-I197 HydrophobicContact CD2-CD1 4.38Å; L193-I197 HydrophobicContact CG-CD1 3.89Å; L193-I197 HydrophobicContact CG-CG1 4.34Å; L193-I197 WeakPolarHBondContact O-CG1 3.49Å; L193-I197 PolarHBondContact O-N 3.27Å; L193-I197 VanDerWaalsContact O-N 3.15Å; I197-M202 HydrophobicContact CG2-CB 4.4Å; I197-L203 HydrophobicContact CD1-CD1 3.88Å; I197-L203 HydrophobicContact CG2-CB 4.09Å; I197-L206 HydrophobicContact CD1-CD1 3.54Å; I197-L206 HydrophobicContact CG1-CD1 3.95Å; I197-F217 HydrophobicContact CD1-CZ 3.71Å; I197-M221 HydrophobicContact CB-CE 3.63Å; I197-M221 HydrophobicContact CD1-CE 4.21Å; I197-M221 HydrophobicContact CD1-SD 4.31Å; I197-M221 HydrophobicContact CG2-CE 3.62Å; I197-R381 VanDerWaalsContact O-CZ 3.27Å; I197-R381 PolarHBondContact O-NH1 3.46Å; I197-R381 PolarHBondContact O-NH2 2.93Å
198T82.3Confident89.6Confident65 Ų6550.1 Ų50.140%0.39927%0.268SS..  trans-88.6-40.2-17551.30000114.8L196 R381L196-T198 PolarHBondContact O-N 3.23Å; T198-R381 VanDerWaalsContact CA-CZ 3.44Å; T198-R381 PolarHBondContact O-NH2 3.34Å
199N83.9Confident89.3Confident95 Ų9551.5 Ų51.551%0.50828%0.277SS..SBendtrans-137158.7-166.8-62.2-25.1000110.8E201 M202 L203N199-E201 VanDerWaalsContact C-N 3.27Å; N199-E201 PolarHBondContact O-N 3.09Å; N199-M202 WeakPolarHBondContact O-CB 3.26Å; N199-M202 PolarHBondContact O-N 2.97Å; N199-L203 PolarHBondContact O-N 3.41Å; N199-L203 VanDerWaalsContact O-N 3.14Å
200I85.2Confident89Confident64 Ų6456.8 Ų56.833%0.32831%0.305SS..Hα-helixtrans-62.5-35.2176.3-60.4161.8000111.4M202 L203 K204 L225 M227I200-M202 VanDerWaalsContact C-N 3.33Å; I200-M202 PolarHBondContact O-N 2.99Å; I200-L203 WeakPolarHBondContact O-CB 3.28Å; I200-L203 PolarHBondContact O-N 3.41Å; I200-K204 HydrophobicContact CG2-CD 4.31Å; I200-K204 HydrophobicContact CG2-CG 4.47Å; I200-K204 WeakPolarHBondContact O-CG 3.28Å; I200-K204 PolarHBondContact O-N 3.35Å; I200-L225 HydrophobicContact CG1-CB 4.48Å; I200-L225 HydrophobicContact CG1-CD1 4.02Å; I200-M227 HydrophobicContact CD1-CG 4.09Å; I200-M227 HydrophobicContact CD1-SD 3.44Å; I200-M227 WeakPolarHBondContact CD1-SD 3.48Å; I200-M227 HydrophobicContact CG1-SD 3.84Å
201E87Confident88.6Confident157 Ų15757.1 Ų57.173%0.73431%0.307SS*.Hα-helixtrans-62.6-41.4177-66.1175.7179.700111.9N199 K204 S205N199-E201 VanDerWaalsContact C-N 3.27Å; N199-E201 PolarHBondContact O-N 3.09Å; E201-K204 PolarHBondContact O-N 3.22Å; E201-S205 PolarHBondContact O-N 3.17Å
202M87.5Confident88.4Confident54 Ų5454.3 Ų54.327%0.26629%0.292SS..Hα-helixtrans-62.1-46.9174.4-171.4176.4-172.300109.9V173 I197 N199 I200 K204 S205 L206V173-M202 HydrophobicContact CB-CE 4.35Å; V173-M202 HydrophobicContact CG1-CE 4.01Å; V173-M202 HydrophobicContact CG2-CE 3.75Å; I197-M202 HydrophobicContact CG2-CB 4.4Å; N199-M202 WeakPolarHBondContact O-CB 3.26Å; N199-M202 PolarHBondContact O-N 2.97Å; I200-M202 VanDerWaalsContact C-N 3.33Å; I200-M202 PolarHBondContact O-N 2.99Å; M202-K204 VanDerWaalsContact C-N 3.28Å; M202-K204 PolarHBondContact O-N 3.45Å; M202-S205 PolarHBondContact O-N 2.91Å; M202-S205 VanDerWaalsContact O-N 3.1Å; M202-S205 PolarHBondContact O-OG 3.33Å; M202-L206 WeakPolarHBondContact O-CG 3.41Å; M202-L206 PolarHBondContact O-N 3.31Å
203L88.9Confident88.3Confident12 Ų1253.1 Ų53.16%0.06329%0.286CS..Hα-helixtrans-55.7-41.8175.4-176.563.7000112.6I197 N199 I200 S205 L206 L208 F217 M218 M221 Y222 L225I197-L203 HydrophobicContact CD1-CD1 3.88Å; I197-L203 HydrophobicContact CG2-CB 4.09Å; N199-L203 PolarHBondContact O-N 3.41Å; N199-L203 VanDerWaalsContact O-N 3.14Å; I200-L203 WeakPolarHBondContact O-CB 3.28Å; I200-L203 PolarHBondContact O-N 3.41Å; L203-S205 VanDerWaalsContact C-N 3.34Å; L203-S205 PolarHBondContact O-N 3.39Å; L203-L206 PolarHBondContact O-N 2.96Å; L203-L208 HydrophobicContact CD1-CD1 4.5Å; L203-F217 HydrophobicContact CD1-CE1 3.75Å; L203-F217 HydrophobicContact CD1-CZ 4.18Å; L203-M218 HydrophobicContact CD1-SD 4.18Å; L203-M218 HydrophobicContact CD2-CE 3.86Å; L203-M218 HydrophobicContact CD2-SD 4.24Å; L203-M218 HydrophobicContact CG-CE 4.43Å; L203-M218 HydrophobicContact CG-SD 4.48Å; L203-M221 HydrophobicContact CD1-CG 4.32Å; L203-M221 HydrophobicContact CD2-CB 4.31Å; L203-Y222 HydrophobicContact CD2-CE1 4.23Å; L203-L225 HydrophobicContact CD2-CD1 3.99Å
204K88.8Confident88.2Confident175 Ų17555.8 Ų55.876%0.76130%0.298SS*.Hα-helixtrans-69.7-28178.7-73.1178.2178.8179.40113.7I200 E201 M202 L206I200-K204 HydrophobicContact CG2-CD 4.31Å; I200-K204 HydrophobicContact CG2-CG 4.47Å; I200-K204 WeakPolarHBondContact O-CG 3.28Å; I200-K204 PolarHBondContact O-N 3.35Å; E201-K204 PolarHBondContact O-N 3.22Å; M202-K204 VanDerWaalsContact C-N 3.28Å; M202-K204 PolarHBondContact O-N 3.45Å; K204-L206 VanDerWaalsContact C-N 3.32Å
205S90.9Very high88.3Confident90 Ų9057.8 Ų57.863%0.62931%0.309SS*.Hα-helixtrans-75.3-18.9178.969.20000114E201 M202 L203E201-S205 PolarHBondContact O-N 3.17Å; M202-S205 PolarHBondContact O-N 2.91Å; M202-S205 VanDerWaalsContact O-N 3.1Å; M202-S205 PolarHBondContact O-OG 3.33Å; L203-S205 VanDerWaalsContact C-N 3.34Å; L203-S205 PolarHBondContact O-N 3.39Å
206L89.4Confident88.6Confident35 Ų3553.9 Ų53.918%0.18329%0.288CS..SBendtrans-82.1131.6-174.9-61.5169.6000111.7V173 V177 L193 I197 M202 L203 K204 L208V173-L206 HydrophobicContact CG1-CD2 3.73Å; V177-L206 HydrophobicContact CG2-CD2 4Å; L193-L206 HydrophobicContact CD1-CD1 4.46Å; I197-L206 HydrophobicContact CD1-CD1 3.54Å; I197-L206 HydrophobicContact CG1-CD1 3.95Å; M202-L206 WeakPolarHBondContact O-CG 3.41Å; M202-L206 PolarHBondContact O-N 3.31Å; L203-L206 PolarHBondContact O-N 2.96Å; K204-L206 VanDerWaalsContact C-N 3.32Å; L206-L208 HydrophobicContact CB-CD2 4.41Å; L206-L208 HydrophobicContact CB-CG 4.19Å; L206-L208 PolarHBondContact O-N 2.93Å
207S89.1Confident88.9Confident84 Ų8453 Ų5359%0.58728%0.283SS*.  trans-86.480.9174.350.10000111.2Q181Q181-S207 PolarHBondContact NE2-O 3.36Å; Q181-S207 VanDerWaalsContact NE2-O 3.08Å
208L89.1Confident89.1Confident24 Ų2454.2 Ų54.213%0.12629%0.289CS..  trans-84.2138.9179.9-60.8172.4000111.8V177 W190 L193 L203 L206 K214 F217V177-L208 HydrophobicContact CG2-CD2 4.4Å; W190-L208 HydrophobicContact CZ3-CB 4.45Å; W190-L208 HydrophobicContact CZ3-CD1 4.25Å; W190-L208 HydrophobicContact CZ3-CD2 4.04Å; W190-L208 HydrophobicContact CZ3-CG 4.48Å; L193-L208 HydrophobicContact CD2-CD2 3.99Å; L203-L208 HydrophobicContact CD1-CD1 4.5Å; L206-L208 HydrophobicContact CB-CD2 4.41Å; L206-L208 HydrophobicContact CB-CG 4.19Å; L206-L208 PolarHBondContact O-N 2.93Å; L208-K214 HydrophobicContact CB-CD 4.44Å; L208-F217 HydrophobicContact CD1-CD1 4.09Å; L208-F217 HydrophobicContact CD1-CE1 3.55Å; L208-F217 HydrophobicContact CD1-CZ 4.45Å
209P89.6Confident89.7Confident32 Ų3251.1 Ų51.121%0.20827%0.27CS..  trans-64.6145.1178.829.5-35.5000111I180 P184 W190 C211 K214I180-P209 VanDerWaalsContact CG2-CD 3.49Å; I180-P209 HydrophobicContact CG2-CG 3.47Å; I180-P209 VanDerWaalsContact CG2-CG 3.47Å; P184-P209 HydrophobicContact CB-CG 4.45Å; W190-P209 HydrophobicContact CH2-CG 4.17Å; W190-P209 HydrophobicContact CZ2-CG 4.31Å; P209-C211 PolarHBondContact O-N 3.45Å; P209-K214 WeakPolarHBondContact O-CD 3.33Å
210D86.5Confident90.1Very high113 Ų11347.2 Ų47.260%0.60425%0.249SC*.  trans-80.8102.8179.6-149.637.1000110.2K214D210-K214 IonicContact OD1-NZ 3.89Å
211C87.3Confident90.4Very high6 Ų644.2 Ų44.24%0.04123%0.233CC..  trans-150152.8-177.761.30000110.4C7 P184 P209 I213 K214C7-C211 HydrophobicContact CB-CB 3.75Å; C7-C211 CarbonylContact O-C 3.54Å; C7-C211 VanDerWaalsContact O-CA 3.32Å; C7-C211 WeakPolarHBondContact O-CA 3.41Å; P184-C211 HydrophobicContact CB-CB 4.36Å; P209-C211 PolarHBondContact O-N 3.45Å; C211-I213 PolarHBondContact O-N 3.16Å; C211-I213 VanDerWaalsContact O-N 3.13Å; C211-K214 WeakPolarHBondContact O-CA 3.45Å; C211-K214 WeakPolarHBondContact O-CB 3.34Å; C211-K214 PolarHBondContact O-N 3.25Å
212W89.1Confident90.7Very high4 Ų439 Ų392%0.01521%0.207CC..Hα-helixtrans-58.7-26.3179.763.6-95.4000114.3C7 F10 I16 L20 L185 K214 D215 F216C7-W212 PolarHBondContact O-N 3.39Å; F10-W212 HydrophobicContact CD1-CB 4.43Å; F10-W212 HydrophobicContact CE1-CB 4.05Å; F10-W212 HydrophobicContact CE1-CE3 4.42Å; F10-W212 HydrophobicContact CE2-CB 4.41Å; F10-W212 HydrophobicContact CZ-CB 4.02Å; I16-W212 HydrophobicContact CD1-CD2 4.46Å; I16-W212 HydrophobicContact CD1-CG 4.38Å; I16-W212 HydrophobicContact CG2-CD2 4.28Å; I16-W212 HydrophobicContact CG2-CE3 4.4Å; I16-W212 HydrophobicContact CG2-CH2 3.85Å; I16-W212 HydrophobicContact CG2-CZ2 3.69Å; I16-W212 HydrophobicContact CG2-CZ3 4.19Å; L20-W212 HydrophobicContact CD1-CH2 4.24Å; L20-W212 HydrophobicContact CD2-CH2 3.83Å; L20-W212 HydrophobicContact CD2-CZ2 4.46Å; L20-W212 HydrophobicContact CG-CH2 3.94Å; L20-W212 HydrophobicContact CG-CZ2 4.32Å; L185-W212 HydrophobicContact CD2-CZ2 3.92Å; W212-K214 PolarHBondContact O-N 2.96Å; W212-D215 PolarHBondContact O-N 3.28Å; W212-F216 HydrophobicContact CE3-CD2 4.01Å; W212-F216 AromaticContact CE3-CE2 3.72Å; W212-F216 HydrophobicContact CE3-CE2 3.72Å; W212-F216 HydrophobicContact CZ3-CD2 4.04Å; W212-F216 AromaticContact CZ3-CE2 3.66Å; W212-F216 HydrophobicContact CZ3-CE2 3.66Å; W212-F216 HydrophobicContact CZ3-CZ 4.5Å
213I91.4Very high90.8Very high0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-69.1-25.2174.4-70.4167.3000112.1L185 W187 W190 C211 D215 F216 F217L185-I213 VanDerWaalsContact CA-CD1 3.41Å; L185-I213 HydrophobicContact CB-CD1 4.09Å; L185-I213 HydrophobicContact CD2-CD1 3.57Å; L185-I213 HydrophobicContact CG-CD1 4.39Å; W187-I213 HydrophobicContact CE3-CG2 4.29Å; W190-I213 HydrophobicContact CD2-CG2 4.35Å; W190-I213 HydrophobicContact CG-CG2 4.26Å; W190-I213 HydrophobicContact CZ2-CG2 4.41Å; C211-I213 PolarHBondContact O-N 3.16Å; C211-I213 VanDerWaalsContact O-N 3.13Å; I213-D215 PolarHBondContact O-N 3.05Å; I213-F216 WeakPolarHBondContact O-CB 3.34Å; I213-F216 PolarHBondContact O-N 3.13Å; I213-F216 VanDerWaalsContact O-N 3.09Å; I213-F217 PolarHBondContact O-N 3.35Å
214K92.1Very high90.6Very high56 Ų5640.1 Ų40.124%0.24321%0.212CC..Hα-helixtrans-56.5-36.5172-173.7177.7167.8-175.90110.5W190 L208 P209 D210 C211 W212 F217 M218W190-K214 HydrophobicContact CH2-CB 4.21Å; L208-K214 HydrophobicContact CB-CD 4.44Å; P209-K214 WeakPolarHBondContact O-CD 3.33Å; D210-K214 IonicContact OD1-NZ 3.89Å; C211-K214 WeakPolarHBondContact O-CA 3.45Å; C211-K214 WeakPolarHBondContact O-CB 3.34Å; C211-K214 PolarHBondContact O-N 3.25Å; W212-K214 PolarHBondContact O-N 2.96Å; K214-F217 WeakPolarHBondContact O-CB 3.39Å; K214-F217 PolarHBondContact O-N 3.49Å; K214-M218 HydrophobicContact CG-CG 4.16Å; K214-M218 WeakPolarHBondContact O-CB 3.42Å; K214-M218 WeakPolarHBondContact O-CG 3.42Å; K214-M218 PolarHBondContact O-N 3.32Å
215D91.8Very high90.5Very high45 Ų4533 Ų3324%0.24118%0.181CC..Hα-helixtrans-65.6-38.9176.9-75.2-56000112.8F10 W212 I213 M218 A219 K234 L238F10-D215 HydrophobicContact CE2-CB 4.25Å; F10-D215 WeakPolarHBondContact CE2-OD2 3.49Å; F10-D215 HydrophobicContact CZ-CB 4.16Å; W212-D215 PolarHBondContact O-N 3.28Å; I213-D215 PolarHBondContact O-N 3.05Å; D215-M218 PolarHBondContact O-N 2.99Å; D215-A219 WeakPolarHBondContact O-CB 3.4Å; D215-A219 PolarHBondContact O-N 3.37Å; D215-K234 IonicContact OD1-NZ 3.12Å; D215-K234 PolarHBondContact OD1-NZ 3.48Å; D215-L238 HydrophobicContact CB-CD2 4.3Å
216F93.8Very high90.2Very high1 Ų131.8 Ų31.80%0.00417%0.166CC..Hα-helixtrans-62.4-43.5171.8-75.5-93.5000111.7F10 W38 L42 W187 W212 I213 H220 L238 F243 Y248 I249F10-F216 HydrophobicContact CE1-CE2 4.36Å; W38-F216 HydrophobicContact CZ2-CB 4.43Å; W38-F216 HydrophobicContact CZ2-CD1 4.17Å; W38-F216 HydrophobicContact CZ2-CG 4.39Å; L42-F216 HydrophobicContact CD1-CD1 4.47Å; L42-F216 HydrophobicContact CD1-CE1 4.05Å; L42-F216 HydrophobicContact CD1-CZ 4.24Å; L42-F216 HydrophobicContact CD2-CE1 3.76Å; L42-F216 HydrophobicContact CD2-CZ 4.16Å; W187-F216 HydrophobicContact CZ3-CB 4.19Å; W212-F216 HydrophobicContact CE3-CD2 4.01Å; W212-F216 AromaticContact CE3-CE2 3.72Å; W212-F216 HydrophobicContact CE3-CE2 3.72Å; W212-F216 HydrophobicContact CZ3-CD2 4.04Å; W212-F216 AromaticContact CZ3-CE2 3.66Å; W212-F216 HydrophobicContact CZ3-CE2 3.66Å; W212-F216 HydrophobicContact CZ3-CZ 4.5Å; I213-F216 WeakPolarHBondContact O-CB 3.34Å; I213-F216 PolarHBondContact O-N 3.13Å; I213-F216 VanDerWaalsContact O-N 3.09Å; F216-H220 WeakPolarHBondContact O-CB 3.48Å; F216-H220 PolarHBondContact O-N 3.41Å; F216-H220 VanDerWaalsContact O-N 3.08Å; F216-L238 HydrophobicContact CD1-CD1 3.93Å; F216-L238 HydrophobicContact CD2-CD1 4.42Å; F216-L238 HydrophobicContact CD2-CD2 4.06Å; F216-L238 HydrophobicContact CE1-CD1 4.01Å; F216-L238 HydrophobicContact CE2-CD1 4.48Å; F216-L238 HydrophobicContact CE2-CD2 3.71Å; F216-L238 HydrophobicContact CG-CD1 4.15Å; F216-L238 HydrophobicContact CZ-CD1 4.29Å; F216-L238 HydrophobicContact CZ-CD2 3.96Å; F216-F243 HydrophobicContact CE2-CE2 4.29Å; F216-F243 HydrophobicContact CE2-CZ 4.38Å; F216-F243 HydrophobicContact CZ-CD1 4.23Å; F216-F243 HydrophobicContact CZ-CD2 4.07Å; F216-F243 HydrophobicContact CZ-CE1 4.21Å; F216-F243 HydrophobicContact CZ-CE2 4.06Å; F216-F243 HydrophobicContact CZ-CG 4.15Å; F216-F243 HydrophobicContact CZ-CZ 4.12Å; F216-Y248 HydrophobicContact CD1-CE1 4.39Å; F216-I249 HydrophobicContact CE1-CD1 3.88Å; F216-I249 HydrophobicContact CE1-CG1 4.17Å; F216-I249 HydrophobicContact CZ-CD1 4.39Å
217F94.8Very high90.1Very high0 Ų032.1 Ų32.10%017%0.167CC..Hα-helixtrans-63-46.3176170.4-103.5000111.7W187 W190 L193 I197 L203 L208 I213 K214 A219 H220 M221W187-F217 HydrophobicContact CZ3-CB 4.34Å; W190-F217 HydrophobicContact CB-CB 4.47Å; W190-F217 HydrophobicContact CB-CD2 3.93Å; W190-F217 HydrophobicContact CD2-CB 4.19Å; W190-F217 HydrophobicContact CD2-CD2 4.44Å; W190-F217 HydrophobicContact CD2-CG 4.31Å; W190-F217 HydrophobicContact CE3-CB 3.62Å; W190-F217 AromaticContact CE3-CD1 3.75Å; W190-F217 HydrophobicContact CE3-CD1 3.75Å; W190-F217 AromaticContact CE3-CD2 3.71Å; W190-F217 HydrophobicContact CE3-CD2 3.71Å; W190-F217 HydrophobicContact CE3-CE1 4.29Å; W190-F217 HydrophobicContact CE3-CE2 4.24Å; W190-F217 AromaticContact CE3-CG 3.4Å; W190-F217 HydrophobicContact CE3-CG 3.4Å; W190-F217 HydrophobicContact CE3-CZ 4.49Å; W190-F217 HydrophobicContact CZ3-CB 4.13Å; W190-F217 AromaticContact CZ3-CD1 3.84Å; W190-F217 HydrophobicContact CZ3-CD1 3.84Å; W190-F217 HydrophobicContact CZ3-CE1 4.37Å; W190-F217 AromaticContact CZ3-CG 3.95Å; W190-F217 HydrophobicContact CZ3-CG 3.95Å; W190-F217 WeakPolarHBondContact O-CE2 3.05Å; L193-F217 HydrophobicContact CB-CE2 4.42Å; L193-F217 HydrophobicContact CD2-CE2 4.28Å; L193-F217 HydrophobicContact CD2-CZ 3.94Å; L193-F217 HydrophobicContact CG-CE2 4.35Å; L193-F217 HydrophobicContact CG-CZ 4.22Å; I197-F217 HydrophobicContact CD1-CZ 3.71Å; L203-F217 HydrophobicContact CD1-CE1 3.75Å; L203-F217 HydrophobicContact CD1-CZ 4.18Å; L208-F217 HydrophobicContact CD1-CD1 4.09Å; L208-F217 HydrophobicContact CD1-CE1 3.55Å; L208-F217 HydrophobicContact CD1-CZ 4.45Å; I213-F217 PolarHBondContact O-N 3.35Å; K214-F217 WeakPolarHBondContact O-CB 3.39Å; K214-F217 PolarHBondContact O-N 3.49Å; F217-A219 PolarHBondContact O-N 3.06Å; F217-H220 PolarHBondContact O-N 3.09Å; F217-M221 HydrophobicContact CD1-CG 4.09Å; F217-M221 HydrophobicContact CD2-CG 3.97Å; F217-M221 HydrophobicContact CE1-CG 3.68Å; F217-M221 HydrophobicContact CE2-CG 3.57Å; F217-M221 HydrophobicContact CE2-SD 3.78Å; F217-M221 HydrophobicContact CG-CG 4.24Å; F217-M221 HydrophobicContact CZ-CG 3.43Å; F217-M221 VanDerWaalsContact CZ-CG 3.43Å; F217-M221 HydrophobicContact CZ-SD 3.88Å; F217-M221 WeakPolarHBondContact O-CB 3.25Å; F217-M221 VanDerWaalsContact O-CG 3.28Å; F217-M221 WeakPolarHBondContact O-CG 3.44Å; F217-M221 PolarHBondContact O-N 2.88Å
218M93.3Very high90.1Very high27 Ų2728.6 Ų28.613%0.13314%0.141CC..Hα-helixtrans-63.2-40.9179.3-68.2-58.8-6700111.5L203 K214 D215 M221 Y222L203-M218 HydrophobicContact CD1-SD 4.18Å; L203-M218 HydrophobicContact CD2-CE 3.86Å; L203-M218 HydrophobicContact CD2-SD 4.24Å; L203-M218 HydrophobicContact CG-CE 4.43Å; L203-M218 HydrophobicContact CG-SD 4.48Å; K214-M218 HydrophobicContact CG-CG 4.16Å; K214-M218 WeakPolarHBondContact O-CB 3.42Å; K214-M218 WeakPolarHBondContact O-CG 3.42Å; K214-M218 PolarHBondContact O-N 3.32Å; D215-M218 PolarHBondContact O-N 2.99Å; M218-M221 PolarHBondContact O-N 3.26Å; M218-Y222 HydrophobicContact CB-CE2 4.41Å; M218-Y222 HydrophobicContact CE-CE1 3.71Å; M218-Y222 HydrophobicContact CE-CE2 4.27Å; M218-Y222 VanDerWaalsContact CE-CZ 3.47Å; M218-Y222 WeakPolarHBondContact CE-OH 3.2Å; M218-Y222 WeakPolarHBondContact O-CB 3.38Å; M218-Y222 WeakPolarHBondContact O-CD2 3.4Å; M218-Y222 PolarHBondContact O-N 3.06Å
219A94.4Very high90.1Very high0 Ų035.6 Ų35.60%017%0.171CC..Hα-helixtrans-62-44.3175.800000112D215 F217 T223 K234 Y235D215-A219 WeakPolarHBondContact O-CB 3.4Å; D215-A219 PolarHBondContact O-N 3.37Å; F217-A219 PolarHBondContact O-N 3.06Å; A219-T223 PolarHBondContact O-N 3.33Å; A219-T223 VanDerWaalsContact O-N 3.17Å; A219-T223 PolarHBondContact O-OG1 3.32Å; A219-K234 HydrophobicContact CB-CB 3.86Å; A219-Y235 HydrophobicContact CB-CD1 3.84Å; A219-Y235 HydrophobicContact CB-CD2 4.42Å; A219-Y235 HydrophobicContact CB-CE1 3.48Å; A219-Y235 VanDerWaalsContact CB-CE1 3.48Å; A219-Y235 HydrophobicContact CB-CE2 4.12Å; A219-Y235 HydrophobicContact CB-CG 4.28Å; A219-Y235 PolarHBondContact O-OH 3.34Å
220H93.6Very high90.3Very high13 Ų1337.8 Ų37.86%0.0618%0.179CC..Hα-helixtrans-64.6-44.9175.4-178.568.5000111.6W187 S194 F216 F217 Y222 T223 E224 Y235 Q252W187-H220 HydrophobicContact CH2-CB 4.35Å; S194-H220 PolarHBondContact OG-CD2 3.28Å; S194-H220 PolarHBondContact OG-NE2 3.06Å; F216-H220 WeakPolarHBondContact O-CB 3.48Å; F216-H220 PolarHBondContact O-N 3.41Å; F216-H220 VanDerWaalsContact O-N 3.08Å; F217-H220 PolarHBondContact O-N 3.09Å; H220-Y222 PolarHBondContact O-N 3.48Å; H220-T223 WeakPolarHBondContact O-CB 3.15Å; H220-T223 PolarHBondContact O-N 3.44Å; H220-T223 VanDerWaalsContact O-N 3.15Å; H220-E224 PolarHBondContact O-N 3.16Å; H220-Y235 WeakPolarHBondContact CA-OH 3.44Å; H220-Y235 PolarHBondContact N-OH 3.41Å; H220-Q252 PolarHBondContact ND1-OE1 3.06Å
221M91.1Very high90.6Very high0 Ų032.4 Ų32.40%015%0.15CC..Hα-helixtrans-61-43.5176.9-76.8-50.5-50.600113.2S194 I197 L203 F217 M218 T223 E224 L225S194-M221 WeakPolarHBondContact CA-SD 3.4Å; S194-M221 WeakPolarHBondContact CB-SD 3.26Å; I197-M221 HydrophobicContact CB-CE 3.63Å; I197-M221 HydrophobicContact CD1-CE 4.21Å; I197-M221 HydrophobicContact CD1-SD 4.31Å; I197-M221 HydrophobicContact CG2-CE 3.62Å; L203-M221 HydrophobicContact CD1-CG 4.32Å; L203-M221 HydrophobicContact CD2-CB 4.31Å; F217-M221 HydrophobicContact CD1-CG 4.09Å; F217-M221 HydrophobicContact CD2-CG 3.97Å; F217-M221 HydrophobicContact CE1-CG 3.68Å; F217-M221 HydrophobicContact CE2-CG 3.57Å; F217-M221 HydrophobicContact CE2-SD 3.78Å; F217-M221 HydrophobicContact CG-CG 4.24Å; F217-M221 HydrophobicContact CZ-CG 3.43Å; F217-M221 VanDerWaalsContact CZ-CG 3.43Å; F217-M221 HydrophobicContact CZ-SD 3.88Å; F217-M221 WeakPolarHBondContact O-CB 3.25Å; F217-M221 VanDerWaalsContact O-CG 3.28Å; F217-M221 WeakPolarHBondContact O-CG 3.44Å; F217-M221 PolarHBondContact O-N 2.88Å; M218-M221 PolarHBondContact O-N 3.26Å; M221-T223 PolarHBondContact O-N 2.99Å; M221-E224 PolarHBondContact O-N 3.13Å; M221-L225 HydrophobicContact CE-CD1 3.86Å; M221-L225 HydrophobicContact CE-CD2 4.43Å; M221-L225 HydrophobicContact CE-CG 3.94Å; M221-L225 VanDerWaalsContact O-CB 3.27Å; M221-L225 WeakPolarHBondContact O-CB 3.49Å; M221-L225 VanDerWaalsContact O-CG 3.27Å; M221-L225 WeakPolarHBondContact O-CG 3.46Å; M221-L225 PolarHBondContact O-N 3Å
222Y91.8Very high90.9Very high49 Ų4933.4 Ų33.419%0.19216%0.155CC..Hα-helixtrans-64.1-33.1177.2-69.1-23.8000111.9L203 M218 H220 Q226 M227 E230 K234L203-Y222 HydrophobicContact CD2-CE1 4.23Å; M218-Y222 HydrophobicContact CB-CE2 4.41Å; M218-Y222 HydrophobicContact CE-CE1 3.71Å; M218-Y222 HydrophobicContact CE-CE2 4.27Å; M218-Y222 VanDerWaalsContact CE-CZ 3.47Å; M218-Y222 WeakPolarHBondContact CE-OH 3.2Å; M218-Y222 WeakPolarHBondContact O-CB 3.38Å; M218-Y222 WeakPolarHBondContact O-CD2 3.4Å; M218-Y222 PolarHBondContact O-N 3.06Å; H220-Y222 PolarHBondContact O-N 3.48Å; Y222-Q226 PolarHBondContact O-N 2.94Å; Y222-Q226 VanDerWaalsContact O-N 3.16Å; Y222-M227 HydrophobicContact CD1-CB 4.31Å; Y222-M227 HydrophobicContact CD1-SD 4.02Å; Y222-M227 HydrophobicContact CE1-SD 4.2Å; Y222-M227 HydrophobicContact CG-CB 4.36Å; Y222-M227 CarbonylContact O-C 3.46Å; Y222-M227 PolarHBondContact O-N 3.34Å; Y222-E230 HydrophobicContact CD2-CB 3.98Å; Y222-E230 HydrophobicContact CE2-CB 4.27Å; Y222-E230 HydrophobicContact CG-CB 4.47Å; Y222-K234 HydrophobicContact CD2-CG 4.35Å; Y222-K234 HydrophobicContact CE2-CG 4.3Å
223T90.1Very high91.2Very high0 Ų039.4 Ų39.40%018%0.183CC..Hα-helixtrans-64.2-47.6173.5-50.70000111.1A219 H220 M221 Q226 I228 A256A219-T223 PolarHBondContact O-N 3.33Å; A219-T223 VanDerWaalsContact O-N 3.17Å; A219-T223 PolarHBondContact O-OG1 3.32Å; H220-T223 WeakPolarHBondContact O-CB 3.15Å; H220-T223 PolarHBondContact O-N 3.44Å; H220-T223 VanDerWaalsContact O-N 3.15Å; M221-T223 PolarHBondContact O-N 2.99Å; T223-Q226 PolarHBondContact O-N 3.04Å; T223-Q226 PolarHBondContact O-NE2 2.74Å; T223-I228 HydrophobicContact CG2-CD1 4.48Å; T223-I228 WeakPolarHBondContact O-CD1 3.33Å; T223-A256 HydrophobicContact CG2-CB 4.32Å
224E85.4Confident91.4Very high89 Ų8942.3 Ų42.342%0.41620%0.195SC..Hα-helixtrans-68-40.7179.1-68.8-58.4142.900112.9H220 M221 Q226H220-E224 PolarHBondContact O-N 3.16Å; M221-E224 PolarHBondContact O-N 3.13Å; E224-Q226 PolarHBondContact O-N 3.24Å; E224-Q226 PolarHBondContact O-NE2 3.27Å; E224-Q226 VanDerWaalsContact O-NE2 3.15Å
225L86.3Confident91.5Very high24 Ų2439.7 Ų39.713%0.12618%0.184CC..THydrogen-bonded Turntrans-78.34.3178.1-65.4175.1000113.7I200 L203 M221 M227I200-L225 HydrophobicContact CG1-CB 4.48Å; I200-L225 HydrophobicContact CG1-CD1 4.02Å; L203-L225 HydrophobicContact CD2-CD1 3.99Å; M221-L225 HydrophobicContact CE-CD1 3.86Å; M221-L225 HydrophobicContact CE-CD2 4.43Å; M221-L225 HydrophobicContact CE-CG 3.94Å; M221-L225 VanDerWaalsContact O-CB 3.27Å; M221-L225 WeakPolarHBondContact O-CB 3.49Å; M221-L225 VanDerWaalsContact O-CG 3.27Å; M221-L225 WeakPolarHBondContact O-CG 3.46Å; M221-L225 PolarHBondContact O-N 3Å; L225-M227 VanDerWaalsContact C-N 3.28Å; L225-M227 PolarHBondContact O-N 2.96Å
226Q84.4Confident91.6Very high66 Ų6641.9 Ų41.931%0.30819%0.193SC..THydrogen-bonded Turntrans66.922.6175.9-50.7-52.1-32.700115.7Y222 T223 E224 I228 R413Y222-Q226 PolarHBondContact O-N 2.94Å; Y222-Q226 VanDerWaalsContact O-N 3.16Å; T223-Q226 PolarHBondContact O-N 3.04Å; T223-Q226 PolarHBondContact O-NE2 2.74Å; E224-Q226 PolarHBondContact O-N 3.24Å; E224-Q226 PolarHBondContact O-NE2 3.27Å; E224-Q226 VanDerWaalsContact O-NE2 3.15Å; Q226-I228 VanDerWaalsContact C-N 3.29Å; Q226-I228 PolarHBondContact O-N 3Å; Q226-R413 VanDerWaalsContact CD-NH1 3.34Å; Q226-R413 VanDerWaalsContact CG-CZ 3.5Å
227M87.5Confident91.6Very high41 Ų4145.4 Ų45.420%0.20221%0.212CC..  trans-90.463.5169.1-65.7-175.668.100109.6I200 Y222 L225 K229 E230 A231I200-M227 HydrophobicContact CD1-CG 4.09Å; I200-M227 HydrophobicContact CD1-SD 3.44Å; I200-M227 WeakPolarHBondContact CD1-SD 3.48Å; I200-M227 HydrophobicContact CG1-SD 3.84Å; Y222-M227 HydrophobicContact CD1-CB 4.31Å; Y222-M227 HydrophobicContact CD1-SD 4.02Å; Y222-M227 HydrophobicContact CE1-SD 4.2Å; Y222-M227 HydrophobicContact CG-CB 4.36Å; Y222-M227 CarbonylContact O-C 3.46Å; Y222-M227 PolarHBondContact O-N 3.34Å; L225-M227 VanDerWaalsContact C-N 3.28Å; L225-M227 PolarHBondContact O-N 2.96Å; M227-K229 PolarHBondContact O-N 3.05Å; M227-E230 VanDerWaalsContact C-OE2 3.22Å; M227-E230 WeakPolarHBondContact CA-OE2 3.42Å; M227-E230 HydrophobicContact CB-CB 4.5Å; M227-E230 WeakPolarHBondContact CB-OE2 3.41Å; M227-E230 HydrophobicContact CE-CG 4.03Å; M227-E230 VanDerWaalsContact CE-OE1 3.24Å; M227-E230 WeakPolarHBondContact CE-OE1 3.27Å; M227-E230 PolarHBondContact O-N 3.4Å; M227-A231 WeakPolarHBondContact O-CB 3.46Å; M227-A231 PolarHBondContact O-N 2.92Å
228I88.2Confident91.5Very high10 Ų1045.6 Ų45.65%0.05121%0.213CC..Hα-helixtrans-71.9-33.2-163.5-47-61.2000112.7T223 Q226 E230 A231 L232 A256 N259 I260T223-I228 HydrophobicContact CG2-CD1 4.48Å; T223-I228 WeakPolarHBondContact O-CD1 3.33Å; Q226-I228 VanDerWaalsContact C-N 3.29Å; Q226-I228 PolarHBondContact O-N 3Å; I228-E230 VanDerWaalsContact C-N 3.35Å; I228-E230 PolarHBondContact O-N 3.39Å; I228-A231 WeakPolarHBondContact O-CB 3.33Å; I228-A231 PolarHBondContact O-N 3.45Å; I228-L232 HydrophobicContact CG2-CD1 4.22Å; I228-L232 HydrophobicContact CG2-CG 4.2Å; I228-L232 WeakPolarHBondContact O-CB 3.43Å; I228-L232 WeakPolarHBondContact O-CG 3.43Å; I228-L232 PolarHBondContact O-N 2.99Å; I228-A256 HydrophobicContact CG2-CB 3.74Å; I228-A256 WeakPolarHBondContact CG2-O 3.25Å; I228-N259 HydrophobicContact CD1-CB 3.86Å; I228-N259 HydrophobicContact CG1-CB 4.26Å; I228-I260 HydrophobicContact CB-CD1 3.68Å; I228-I260 HydrophobicContact CB-CG1 3.64Å; I228-I260 HydrophobicContact CG1-CG1 4.03Å; I228-I260 HydrophobicContact CG2-CD1 3.29Å; I228-I260 HydrophobicContact CG2-CG1 3.52Å
229K90.1Very high91.5Very high172 Ų17246.4 Ų46.475%0.74822%0.217SC*.Hα-helixtrans-64.3-43.5179.2-66.4-175.8-179.8-178.50110.9M227 L232 Q233M227-K229 PolarHBondContact O-N 3.05Å; K229-L232 PolarHBondContact O-N 3.4Å; K229-Q233 PolarHBondContact O-N 3.01Å
230E92.7Very high91.3Very high78 Ų7852.9 Ų52.936%0.36425%0.247SC..Hα-helixtrans-67.1-37.7176-58.191.5152.400111.5Y222 M227 I228 Q233 K234Y222-E230 HydrophobicContact CD2-CB 3.98Å; Y222-E230 HydrophobicContact CE2-CB 4.27Å; Y222-E230 HydrophobicContact CG-CB 4.47Å; M227-E230 VanDerWaalsContact C-OE2 3.22Å; M227-E230 WeakPolarHBondContact CA-OE2 3.42Å; M227-E230 HydrophobicContact CB-CB 4.5Å; M227-E230 WeakPolarHBondContact CB-OE2 3.41Å; M227-E230 HydrophobicContact CE-CG 4.03Å; M227-E230 VanDerWaalsContact CE-OE1 3.24Å; M227-E230 WeakPolarHBondContact CE-OE1 3.27Å; M227-E230 PolarHBondContact O-N 3.4Å; I228-E230 VanDerWaalsContact C-N 3.35Å; I228-E230 PolarHBondContact O-N 3.39Å; E230-Q233 PolarHBondContact O-N 3.22Å; E230-K234 WeakPolarHBondContact O-CG 3.34Å; E230-K234 PolarHBondContact O-N 3.49Å
231A94.4Very high91.1Very high0 Ų053.7 Ų53.70%026%0.256CS..Hα-helixtrans-61.6-49174.100000111.9M227 I228 Q233 K234 Y235M227-A231 WeakPolarHBondContact O-CB 3.46Å; M227-A231 PolarHBondContact O-N 2.92Å; I228-A231 WeakPolarHBondContact O-CB 3.33Å; I228-A231 PolarHBondContact O-N 3.45Å; A231-Q233 VanDerWaalsContact C-N 3.34Å; A231-Q233 PolarHBondContact O-N 3.3Å; A231-K234 PolarHBondContact O-N 3.26Å; A231-K234 VanDerWaalsContact O-N 3.16Å; A231-Y235 HydrophobicContact CB-CE2 4.37Å; A231-Y235 WeakPolarHBondContact O-CD2 3.37Å; A231-Y235 PolarHBondContact O-N 2.71Å
232L94.1Very high91Very high27 Ų2754.9 Ų54.914%0.14127%0.269CS..Hα-helixtrans-61.1-42.1178.2-73173.8000111.6I228 K229 K234 Y235 Q236 I253 A256 Y257 I260I228-L232 HydrophobicContact CG2-CD1 4.22Å; I228-L232 HydrophobicContact CG2-CG 4.2Å; I228-L232 WeakPolarHBondContact O-CB 3.43Å; I228-L232 WeakPolarHBondContact O-CG 3.43Å; I228-L232 PolarHBondContact O-N 2.99Å; K229-L232 PolarHBondContact O-N 3.4Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 3.08Å; L232-Y235 PolarHBondContact O-N 3.1Å; L232-Q236 WeakPolarHBondContact O-CB 3.49Å; L232-Q236 PolarHBondContact O-N 3.31Å; L232-I253 HydrophobicContact CD2-CG2 3.81Å; L232-A256 HydrophobicContact CD2-CB 3.79Å; L232-A256 HydrophobicContact CG-CB 4.25Å; L232-Y257 HydrophobicContact CD1-CD1 4.3Å; L232-Y257 HydrophobicContact CD1-CE1 3.82Å; L232-Y257 HydrophobicContact CD1-CE2 4.49Å; L232-Y257 HydrophobicContact CD2-CD2 4.14Å; L232-Y257 HydrophobicContact CD2-CE2 3.78Å; L232-I260 HydrophobicContact CD1-CD1 3.72Å
233Q95.1Very high91Very high129 Ų12952.6 Ų52.660%0.60326%0.26SS*.Hα-helixtrans-60.9-42.4174.5-172.8178.111.800111.7K229 E230 A231 Q236 N237K229-Q233 PolarHBondContact O-N 3.01Å; E230-Q233 PolarHBondContact O-N 3.22Å; A231-Q233 VanDerWaalsContact C-N 3.34Å; A231-Q233 PolarHBondContact O-N 3.3Å; Q233-Q236 PolarHBondContact O-N 3.42Å; Q233-N237 PolarHBondContact O-N 2.79Å; Q233-N237 PolarHBondContact O-OD1 3.01Å
234K94.5Very high91Very high62 Ų6255.6 Ų55.627%0.2728%0.281SS..Hα-helixtrans-64.7-41.8175.9-77.9-70.6-170.41720112.3D215 A219 Y222 E230 A231 L232 Q236 N237 L238D215-K234 IonicContact OD1-NZ 3.12Å; D215-K234 PolarHBondContact OD1-NZ 3.48Å; A219-K234 HydrophobicContact CB-CB 3.86Å; Y222-K234 HydrophobicContact CD2-CG 4.35Å; Y222-K234 HydrophobicContact CE2-CG 4.3Å; E230-K234 WeakPolarHBondContact O-CG 3.34Å; E230-K234 PolarHBondContact O-N 3.49Å; A231-K234 PolarHBondContact O-N 3.26Å; A231-K234 VanDerWaalsContact O-N 3.16Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 3.08Å; K234-Q236 VanDerWaalsContact C-N 3.34Å; K234-N237 PolarHBondContact O-N 3.3Å; K234-L238 WeakPolarHBondContact O-CG 3.49Å; K234-L238 PolarHBondContact O-N 3.18Å
235Y95.4Very high91.2Very high1 Ų158 Ų580%0.00429%0.29CS..Hα-helixtrans-65.3-38.3175.1-71.5-55.5000112.6A219 H220 A231 L232 N237 L238 I239 I249 Q252 I253A219-Y235 HydrophobicContact CB-CD1 3.84Å; A219-Y235 HydrophobicContact CB-CD2 4.42Å; A219-Y235 HydrophobicContact CB-CE1 3.48Å; A219-Y235 VanDerWaalsContact CB-CE1 3.48Å; A219-Y235 HydrophobicContact CB-CE2 4.12Å; A219-Y235 HydrophobicContact CB-CG 4.28Å; A219-Y235 PolarHBondContact O-OH 3.34Å; H220-Y235 WeakPolarHBondContact CA-OH 3.44Å; H220-Y235 PolarHBondContact N-OH 3.41Å; A231-Y235 HydrophobicContact CB-CE2 4.37Å; A231-Y235 WeakPolarHBondContact O-CD2 3.37Å; A231-Y235 PolarHBondContact O-N 2.71Å; L232-Y235 PolarHBondContact O-N 3.1Å; Y235-N237 VanDerWaalsContact C-N 3.34Å; Y235-N237 PolarHBondContact O-N 3.47Å; Y235-L238 HydrophobicContact CD1-CD1 4.18Å; Y235-L238 WeakPolarHBondContact O-CB 3.43Å; Y235-L238 PolarHBondContact O-N 3.19Å; Y235-L238 VanDerWaalsContact O-N 3.13Å; Y235-I239 WeakPolarHBondContact O-CG1 3.24Å; Y235-I239 PolarHBondContact O-N 3.28Å; Y235-I249 HydrophobicContact CD1-CG2 3.97Å; Y235-I249 HydrophobicContact CG-CG2 4.47Å; Y235-Q252 HydrophobicContact CE1-CB 3.86Å; Y235-Q252 HydrophobicContact CE1-CG 4.4Å; Y235-Q252 HydrophobicContact CE2-CB 4.01Å; Y235-Q252 VanDerWaalsContact CZ-CB 3.49Å; Y235-Q252 WeakPolarHBondContact OH-CB 3.49Å; Y235-I253 HydrophobicContact CD2-CG1 3.95Å; Y235-I253 HydrophobicContact CG-CD1 4.49Å; Y235-I253 HydrophobicContact CG-CG1 3.8Å
236Q93.9Very high91.6Very high90 Ų9057 Ų5742%0.42128%0.284SS..Hα-helixtrans-60.4-44.9174.2-175.66123.400111.2L232 Q233 K234 L238 I239 E240L232-Q236 WeakPolarHBondContact O-CB 3.49Å; L232-Q236 PolarHBondContact O-N 3.31Å; Q233-Q236 PolarHBondContact O-N 3.42Å; K234-Q236 VanDerWaalsContact C-N 3.34Å; Q236-L238 VanDerWaalsContact C-N 3.28Å; Q236-L238 PolarHBondContact O-N 3.19Å; Q236-I239 WeakPolarHBondContact O-CB 3.07Å; Q236-I239 PolarHBondContact O-N 3.38Å; Q236-I239 VanDerWaalsContact O-N 3.16Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.46Å; Q236-E240 PolarHBondContact NE2-OE1 3.46Å; Q236-E240 WeakPolarHBondContact O-CG 3.39Å; Q236-E240 PolarHBondContact O-N 3.35Å
237N92.9Very high92Very high76 Ų7654.9 Ų54.941%0.40628%0.276SS..Hα-helixtrans-60.6-36.5174.6-64.3-3.2000112.2Q233 K234 Y235 A241Q233-N237 PolarHBondContact O-N 2.79Å; Q233-N237 PolarHBondContact O-OD1 3.01Å; K234-N237 PolarHBondContact O-N 3.3Å; Y235-N237 VanDerWaalsContact C-N 3.34Å; Y235-N237 PolarHBondContact O-N 3.47Å; N237-A241 VanDerWaalsContact O-CB 3.29Å; N237-A241 WeakPolarHBondContact O-CB 3.47Å; N237-A241 PolarHBondContact O-N 2.98Å
238L93.1Very high92.3Very high4 Ų453.8 Ų53.82%0.02127%0.27CS..Hα-helixtrans-69.1-37.1176.1-68.8172.6000112.3F10 D215 F216 K234 Y235 Q236 A241 G242 F243 I249F10-L238 HydrophobicContact CE1-CD2 3.87Å; F10-L238 HydrophobicContact CE2-CD2 4.26Å; F10-L238 HydrophobicContact CZ-CD2 3.4Å; D215-L238 HydrophobicContact CB-CD2 4.3Å; F216-L238 HydrophobicContact CD1-CD1 3.93Å; F216-L238 HydrophobicContact CD2-CD1 4.42Å; F216-L238 HydrophobicContact CD2-CD2 4.06Å; F216-L238 HydrophobicContact CE1-CD1 4.01Å; F216-L238 HydrophobicContact CE2-CD1 4.48Å; F216-L238 HydrophobicContact CE2-CD2 3.71Å; F216-L238 HydrophobicContact CG-CD1 4.15Å; F216-L238 HydrophobicContact CZ-CD1 4.29Å; F216-L238 HydrophobicContact CZ-CD2 3.96Å; K234-L238 WeakPolarHBondContact O-CG 3.49Å; K234-L238 PolarHBondContact O-N 3.18Å; Y235-L238 HydrophobicContact CD1-CD1 4.18Å; Y235-L238 WeakPolarHBondContact O-CB 3.43Å; Y235-L238 PolarHBondContact O-N 3.19Å; Y235-L238 VanDerWaalsContact O-N 3.13Å; Q236-L238 VanDerWaalsContact C-N 3.28Å; Q236-L238 PolarHBondContact O-N 3.19Å; L238-A241 PolarHBondContact O-N 2.91Å; L238-G242 PolarHBondContact O-N 3.16Å; L238-F243 WeakPolarHBondContact O-CB 3.41Å; L238-F243 PolarHBondContact O-N 3.42Å; L238-I249 HydrophobicContact CB-CD1 4.05Å
239I92.7Very high92.6Very high44 Ų4453.4 Ų53.423%0.22627%0.268CS..Iπ-helixtrans-63.4-49173.6-72.1173.1000109.9Y235 Q236 A241 G242 I249 I253Y235-I239 WeakPolarHBondContact O-CG1 3.24Å; Y235-I239 PolarHBondContact O-N 3.28Å; Q236-I239 WeakPolarHBondContact O-CB 3.07Å; Q236-I239 PolarHBondContact O-N 3.38Å; Q236-I239 VanDerWaalsContact O-N 3.16Å; I239-A241 VanDerWaalsContact C-N 3.27Å; I239-A241 PolarHBondContact O-N 2.82Å; I239-G242 PolarHBondContact O-N 2.77Å; I239-I249 HydrophobicContact CD1-CG2 4.25Å; I239-I249 HydrophobicContact CG1-CG2 4.02Å; I239-I253 HydrophobicContact CD1-CD1 3.43Å; I239-I253 VanDerWaalsContact CD1-CD1 3.43Å; I239-I253 HydrophobicContact CG1-CD1 4.5Å
240E90.6Very high92.9Very high136 Ų13645.6 Ų45.664%0.63623%0.234SC*.Iπ-helixtrans-63-32.4178.4-72.2172.7-167.100112.5Q236 G242Q236-E240 WeakPolarHBondContact CG-OE1 3.46Å; Q236-E240 PolarHBondContact NE2-OE1 3.46Å; Q236-E240 WeakPolarHBondContact O-CG 3.39Å; Q236-E240 PolarHBondContact O-N 3.35Å; E240-G242 PolarHBondContact O-N 2.56Å
241A89Confident93Very high29 Ų2941.9 Ų41.924%0.2422%0.217CC..Iπ-helixtrans-67.8-15.5174.500000113.6F10 L13 N237 L238 I239F10-A241 HydrophobicContact CB-CB 4.37Å; F10-A241 HydrophobicContact CD1-CB 4.05Å; F10-A241 HydrophobicContact CG-CB 4.13Å; L13-A241 WeakPolarHBondContact CD1-O 3.46Å; L13-A241 WeakPolarHBondContact CD2-O 3.5Å; N237-A241 VanDerWaalsContact O-CB 3.29Å; N237-A241 WeakPolarHBondContact O-CB 3.47Å; N237-A241 PolarHBondContact O-N 2.98Å; L238-A241 PolarHBondContact O-N 2.91Å; I239-A241 VanDerWaalsContact C-N 3.27Å; I239-A241 PolarHBondContact O-N 2.82Å
242G88.8Confident93Very high26 Ų2642.8 Ų42.827%0.26822%0.221SC..Iπ-helixtrans125.63.3175.700000115.5L238 I239 E240 S244L238-G242 PolarHBondContact O-N 3.16Å; I239-G242 PolarHBondContact O-N 2.77Å; E240-G242 PolarHBondContact O-N 2.56Å; G242-S244 VanDerWaalsContact C-N 3.33Å; G242-S244 PolarHBondContact O-N 3.42Å
243F91.3Very high93Very high0 Ų042.2 Ų42.20%022%0.218CC..Iπ-helixtrans-93.326.1179-64-86.2000114F10 L13 I16 L42 L46 F216 L238 K245 S246 I249F10-F243 HydrophobicContact CD1-CE2 4.1Å; F10-F243 AromaticContact CE1-CE2 3.84Å; F10-F243 HydrophobicContact CE1-CE2 3.84Å; L13-F243 HydrophobicContact CD2-CE2 4.44Å; I16-F243 HydrophobicContact CG2-CZ 4.13Å; L42-F243 HydrophobicContact CD2-CD1 4.27Å; L46-F243 HydrophobicContact CD1-CE1 3.85Å; L46-F243 HydrophobicContact CD1-CZ 4.16Å; L46-F243 HydrophobicContact CD2-CD1 3.91Å; L46-F243 HydrophobicContact CD2-CE1 3.71Å; L46-F243 HydrophobicContact CD2-CG 4.43Å; L46-F243 HydrophobicContact CD2-CZ 4.06Å; L46-F243 HydrophobicContact CG-CD1 4.23Å; L46-F243 HydrophobicContact CG-CE1 3.8Å; L46-F243 HydrophobicContact CG-CZ 4.42Å; F216-F243 HydrophobicContact CE2-CE2 4.29Å; F216-F243 HydrophobicContact CE2-CZ 4.38Å; F216-F243 HydrophobicContact CZ-CD1 4.23Å; F216-F243 HydrophobicContact CZ-CD2 4.07Å; F216-F243 HydrophobicContact CZ-CE1 4.21Å; F216-F243 HydrophobicContact CZ-CE2 4.06Å; F216-F243 HydrophobicContact CZ-CG 4.15Å; F216-F243 HydrophobicContact CZ-CZ 4.12Å; L238-F243 WeakPolarHBondContact O-CB 3.41Å; L238-F243 PolarHBondContact O-N 3.42Å; F243-K245 VanDerWaalsContact C-N 3.28Å; F243-K245 PolarHBondContact O-N 3.43Å; F243-S246 VanDerWaalsContact O-CB 3.25Å; F243-S246 WeakPolarHBondContact O-CB 3.39Å; F243-S246 PolarHBondContact O-N 3.24Å; F243-I249 HydrophobicContact CB-CD1 3.4Å; F243-I249 VanDerWaalsContact CB-CD1 3.4Å; F243-I249 HydrophobicContact CG-CD1 4.25Å
244S89.9Confident93Very high63 Ų6336.1 Ų36.144%0.44119%0.19SC..THydrogen-bonded Turntrans-58-34.7-175.659.10000114.4G242 S246G242-S244 VanDerWaalsContact C-N 3.33Å; G242-S244 PolarHBondContact O-N 3.42Å; S244-S246 PolarHBondContact O-N 2.98Å
245K90.7Very high92.9Very high141 Ų14134 Ų3461%0.61318%0.182SC*.THydrogen-bonded Turntrans-80.91.3-179.9-60174-173.8164.70113.9A45 D47 F243 T247A45-K245 HydrophobicContact CB-CB 4.38Å; D47-K245 IonicContact OD1-NZ 3.57Å; F243-K245 VanDerWaalsContact C-N 3.28Å; F243-K245 PolarHBondContact O-N 3.43Å; K245-T247 PolarHBondContact O-N 2.82Å
246S93.9Very high92.8Very high1 Ų134 Ų341%0.00718%0.182CC..  trans-76.1111.9-175.1-176.70000111.6L42 F243 S244 Y248 I249 I250L42-S246 WeakPolarHBondContact CD2-OG 3.38Å; F243-S246 VanDerWaalsContact O-CB 3.25Å; F243-S246 WeakPolarHBondContact O-CB 3.39Å; F243-S246 PolarHBondContact O-N 3.24Å; S244-S246 PolarHBondContact O-N 2.98Å; S246-Y248 PolarHBondContact O-N 3.46Å; S246-I249 PolarHBondContact O-N 3.14Å; S246-I249 VanDerWaalsContact O-N 3.16Å; S246-I250 WeakPolarHBondContact O-CG1 3.14Å; S246-I250 PolarHBondContact O-N 2.67Å; S246-I250 VanDerWaalsContact O-N 3.09Å
247T93.6Very high92.7Very high23 Ų2332.2 Ų32.214%0.14117%0.172CC..Hα-helixtrans-61.1-30.9174.656.90000112.3K245 S251 L273 D277K245-T247 PolarHBondContact O-N 2.82Å; T247-S251 VanDerWaalsContact O-CB 3.27Å; T247-S251 WeakPolarHBondContact O-CB 3.15Å; T247-S251 PolarHBondContact O-N 3.26Å; T247-S251 PolarHBondContact O-OG 3.01Å; T247-L273 HydrophobicContact CG2-CD1 4.11Å; T247-L273 WeakPolarHBondContact O-CD1 3.46Å; T247-D277 HydrophobicContact CG2-CB 4.09Å
248Y94.4Very high92.6Very high18 Ų1830.7 Ų30.77%0.07116%0.162CC..Hα-helixtrans-59.8-53.6172.5172.6-102.5000111.1W38 W187 F216 S246 S251 Q252W38-Y248 AromaticContact CD1-CD2 3.82Å; W38-Y248 AromaticContact CD1-CE2 3.91Å; W38-Y248 HydrophobicContact CZ2-CE1 4.5Å; W38-Y248 AromaticContact NE1-CD1 3.63Å; W38-Y248 AromaticContact NE1-CD2 3.72Å; W38-Y248 AromaticContact NE1-CE1 3.49Å; W38-Y248 AromaticContact NE1-CE2 3.58Å; W38-Y248 AromaticContact NE1-CG 3.75Å; W38-Y248 AromaticContact NE1-CZ 3.47Å; W187-Y248 WeakPolarHBondContact CZ2-OH 3.39Å; F216-Y248 HydrophobicContact CD1-CE1 4.39Å; S246-Y248 PolarHBondContact O-N 3.46Å; Y248-S251 PolarHBondContact O-N 3.42Å; Y248-S251 PolarHBondContact O-OG 3.41Å; Y248-Q252 HydrophobicContact CD1-CG 4.49Å; Y248-Q252 HydrophobicContact CD2-CG 4.34Å; Y248-Q252 HydrophobicContact CE1-CG 4.05Å; Y248-Q252 HydrophobicContact CE2-CG 3.89Å; Y248-Q252 WeakPolarHBondContact O-CG 3.34Å; Y248-Q252 PolarHBondContact O-N 3.37Å
249I94.8Very high92.3Very high1 Ų132.2 Ų32.21%0.00517%0.17CC..Hα-helixtrans-62.4-48.5-178.1-62.5178.5000110.6F216 Y235 L238 I239 F243 S246 S251 Q252 I253F216-I249 HydrophobicContact CE1-CD1 3.88Å; F216-I249 HydrophobicContact CE1-CG1 4.17Å; F216-I249 HydrophobicContact CZ-CD1 4.39Å; Y235-I249 HydrophobicContact CD1-CG2 3.97Å; Y235-I249 HydrophobicContact CG-CG2 4.47Å; L238-I249 HydrophobicContact CB-CD1 4.05Å; I239-I249 HydrophobicContact CD1-CG2 4.25Å; I239-I249 HydrophobicContact CG1-CG2 4.02Å; F243-I249 HydrophobicContact CB-CD1 3.4Å; F243-I249 VanDerWaalsContact CB-CD1 3.4Å; F243-I249 HydrophobicContact CG-CD1 4.25Å; S246-I249 PolarHBondContact O-N 3.14Å; S246-I249 VanDerWaalsContact O-N 3.16Å; I249-S251 PolarHBondContact O-N 3.1Å; I249-Q252 PolarHBondContact O-N 3.46Å; I249-I253 HydrophobicContact CG2-CD1 3.76Å; I249-I253 HydrophobicContact CG2-CG1 4.23Å; I249-I253 WeakPolarHBondContact O-CG1 3.4Å; I249-I253 PolarHBondContact O-N 3.38Å
250I94.8Very high91.9Very high9 Ų933.8 Ų33.85%0.04618%0.178CC..Hα-helixtrans-54.6-45177.4-63.7166.5000110.2S246 Q252 I253 A254 L273S246-I250 WeakPolarHBondContact O-CG1 3.14Å; S246-I250 PolarHBondContact O-N 2.67Å; S246-I250 VanDerWaalsContact O-N 3.09Å; I250-Q252 PolarHBondContact O-N 3.46Å; I250-I253 PolarHBondContact O-N 3.29Å; I250-A254 WeakPolarHBondContact O-CB 3.49Å; I250-A254 PolarHBondContact O-N 2.96Å; I250-L273 HydrophobicContact CB-CD1 4.36Å; I250-L273 HydrophobicContact CG2-CB 4.1Å; I250-L273 HydrophobicContact CG2-CD1 4.25Å
251S94.9Very high91.7Very high0 Ų031.9 Ų31.90%017%0.165CC..Hα-helixtrans-65.8-35.5178.879.80000113.5T247 Y248 I249 A254 V255 R280 N283T247-S251 VanDerWaalsContact O-CB 3.27Å; T247-S251 WeakPolarHBondContact O-CB 3.15Å; T247-S251 PolarHBondContact O-N 3.26Å; T247-S251 PolarHBondContact O-OG 3.01Å; Y248-S251 PolarHBondContact O-N 3.42Å; Y248-S251 PolarHBondContact O-OG 3.41Å; I249-S251 PolarHBondContact O-N 3.1Å; S251-A254 PolarHBondContact O-N 2.9Å; S251-V255 WeakPolarHBondContact O-CG2 3.26Å; S251-V255 PolarHBondContact O-N 3.23Å; S251-R280 PolarHBondContact OG-NH2 3.24Å; S251-N283 WeakPolarHBondContact CB-ND2 3.48Å; S251-N283 PolarHBondContact OG-ND2 3.42Å; S251-N283 VanDerWaalsContact OG-ND2 3.13Å
252Q94.6Very high91.6Very high19 Ų1933.1 Ų33.19%0.08917%0.168CC..Hα-helixtrans-71.4-37.7176.2-67.1-57.8-60.900111.9H220 Y235 Y248 I249 I250 A254 V255 A256H220-Q252 PolarHBondContact ND1-OE1 3.06Å; Y235-Q252 HydrophobicContact CE1-CB 3.86Å; Y235-Q252 HydrophobicContact CE1-CG 4.4Å; Y235-Q252 HydrophobicContact CE2-CB 4.01Å; Y235-Q252 VanDerWaalsContact CZ-CB 3.49Å; Y235-Q252 WeakPolarHBondContact OH-CB 3.49Å; Y248-Q252 HydrophobicContact CD1-CG 4.49Å; Y248-Q252 HydrophobicContact CD2-CG 4.34Å; Y248-Q252 HydrophobicContact CE1-CG 4.05Å; Y248-Q252 HydrophobicContact CE2-CG 3.89Å; Y248-Q252 WeakPolarHBondContact O-CG 3.34Å; Y248-Q252 PolarHBondContact O-N 3.37Å; I249-Q252 PolarHBondContact O-N 3.46Å; I250-Q252 PolarHBondContact O-N 3.46Å; Q252-A254 VanDerWaalsContact C-N 3.34Å; Q252-V255 PolarHBondContact O-N 3.36Å; Q252-A256 WeakPolarHBondContact O-CB 3.34Å; Q252-A256 PolarHBondContact O-N 2.92Å
253I95.1Very high91.7Very high15 Ų1534 Ų348%0.07717%0.166CC..Hα-helixtrans-63-43.6173.3-64.4171.1000109.9L232 Y235 I239 I249 I250 V255 A256 Y257 L269L232-I253 HydrophobicContact CD2-CG2 3.81Å; Y235-I253 HydrophobicContact CD2-CG1 3.95Å; Y235-I253 HydrophobicContact CG-CD1 4.49Å; Y235-I253 HydrophobicContact CG-CG1 3.8Å; I239-I253 HydrophobicContact CD1-CD1 3.43Å; I239-I253 VanDerWaalsContact CD1-CD1 3.43Å; I239-I253 HydrophobicContact CG1-CD1 4.5Å; I249-I253 HydrophobicContact CG2-CD1 3.76Å; I249-I253 HydrophobicContact CG2-CG1 4.23Å; I249-I253 WeakPolarHBondContact O-CG1 3.4Å; I249-I253 PolarHBondContact O-N 3.38Å; I250-I253 PolarHBondContact O-N 3.29Å; I253-V255 VanDerWaalsContact C-N 3.33Å; I253-V255 PolarHBondContact O-N 3.07Å; I253-A256 WeakPolarHBondContact O-CB 3.35Å; I253-A256 PolarHBondContact O-N 3.42Å; I253-A256 VanDerWaalsContact O-N 3.11Å; I253-Y257 HydrophobicContact CG2-CD2 3.66Å; I253-Y257 HydrophobicContact CG2-CE2 3.43Å; I253-Y257 VanDerWaalsContact CG2-CE2 3.43Å; I253-Y257 VanDerWaalsContact O-CD2 3.26Å; I253-Y257 WeakPolarHBondContact O-CD2 3.42Å; I253-Y257 PolarHBondContact O-N 3.34Å; I253-L269 HydrophobicContact CB-CD1 4.36Å; I253-L269 HydrophobicContact CG2-CD1 3.56Å
254A94.9Very high91.7Very high0 Ų038.9 Ų38.90%019%0.192CC..Hα-helixtrans-61-41.2176.500000112.1I250 S251 Q252 Y257 H258 L269 F270I250-A254 WeakPolarHBondContact O-CB 3.49Å; I250-A254 PolarHBondContact O-N 2.96Å; S251-A254 PolarHBondContact O-N 2.9Å; Q252-A254 VanDerWaalsContact C-N 3.34Å; A254-Y257 PolarHBondContact O-N 3.41Å; A254-H258 WeakPolarHBondContact O-CB 3.39Å; A254-H258 PolarHBondContact O-N 3.01Å; A254-L269 HydrophobicContact CB-CB 3.93Å; A254-L269 HydrophobicContact CB-CD1 4.47Å; A254-F270 HydrophobicContact CB-CD1 4.16Å; A254-F270 HydrophobicContact CB-CD2 3.84Å; A254-F270 HydrophobicContact CB-CE1 3.91Å; A254-F270 HydrophobicContact CB-CE2 3.56Å; A254-F270 HydrophobicContact CB-CG 4.11Å; A254-F270 HydrophobicContact CB-CZ 3.59Å
255V92.2Very high91.8Very high19 Ų1940.1 Ų40.112%0.11519%0.191CC..Hα-helixtrans-66.2-37172.9171.90000111.9S251 Q252 I253 H258 N259 F270 T286S251-V255 WeakPolarHBondContact O-CG2 3.26Å; S251-V255 PolarHBondContact O-N 3.23Å; Q252-V255 PolarHBondContact O-N 3.36Å; I253-V255 VanDerWaalsContact C-N 3.33Å; I253-V255 PolarHBondContact O-N 3.07Å; V255-H258 WeakPolarHBondContact O-CB 3.4Å; V255-H258 PolarHBondContact O-N 2.98Å; V255-N259 VanDerWaalsContact O-CG 3.31Å; V255-N259 PolarHBondContact O-N 3.06Å; V255-F270 HydrophobicContact CG2-CZ 4.35Å; V255-T286 HydrophobicContact CG2-CG2 4.4Å
256A92.8Very high92Very high0 Ų033.4 Ų33.40%016%0.162CC..Hα-helixtrans-62.7-45.9174.600000111.6T223 I228 L232 Q252 I253 H258 N259 I260T223-A256 HydrophobicContact CG2-CB 4.32Å; I228-A256 HydrophobicContact CG2-CB 3.74Å; I228-A256 WeakPolarHBondContact CG2-O 3.25Å; L232-A256 HydrophobicContact CD2-CB 3.79Å; L232-A256 HydrophobicContact CG-CB 4.25Å; Q252-A256 WeakPolarHBondContact O-CB 3.34Å; Q252-A256 PolarHBondContact O-N 2.92Å; I253-A256 WeakPolarHBondContact O-CB 3.35Å; I253-A256 PolarHBondContact O-N 3.42Å; I253-A256 VanDerWaalsContact O-N 3.11Å; A256-H258 VanDerWaalsContact C-N 3.34Å; A256-H258 PolarHBondContact O-N 3.22Å; A256-N259 WeakPolarHBondContact O-CB 3.37Å; A256-N259 PolarHBondContact O-N 3.07Å; A256-N259 VanDerWaalsContact O-N 3.09Å; A256-I260 PolarHBondContact O-N 3.33Å
257Y91.9Very high92.1Very high53 Ų5333.8 Ų33.821%0.20816%0.163CC..Hα-helixtrans-64.4-37.3173.9-77.5-65.9000112.8L232 I253 A254 N259 I260 R261 D262 Q265 L269L232-Y257 HydrophobicContact CD1-CD1 4.3Å; L232-Y257 HydrophobicContact CD1-CE1 3.82Å; L232-Y257 HydrophobicContact CD1-CE2 4.49Å; L232-Y257 HydrophobicContact CD2-CD2 4.14Å; L232-Y257 HydrophobicContact CD2-CE2 3.78Å; I253-Y257 HydrophobicContact CG2-CD2 3.66Å; I253-Y257 HydrophobicContact CG2-CE2 3.43Å; I253-Y257 VanDerWaalsContact CG2-CE2 3.43Å; I253-Y257 VanDerWaalsContact O-CD2 3.26Å; I253-Y257 WeakPolarHBondContact O-CD2 3.42Å; I253-Y257 PolarHBondContact O-N 3.34Å; A254-Y257 PolarHBondContact O-N 3.41Å; Y257-N259 VanDerWaalsContact C-N 3.28Å; Y257-N259 PolarHBondContact O-N 3.47Å; Y257-I260 PolarHBondContact O-N 3.03Å; Y257-R261 PolarHBondContact O-N 3.4Å; Y257-D262 HydrophobicContact CD1-CB 4.04Å; Y257-D262 PolarHBondContact O-N 3.4Å; Y257-Q265 HydrophobicContact CD1-CB 4.18Å; Y257-Q265 HydrophobicContact CE1-CB 4.4Å; Y257-Q265 HydrophobicContact CG-CB 4.25Å; Y257-Q265 PolarHBondContact OH-OE1 2.93Å; Y257-L269 HydrophobicContact CD2-CD1 3.54Å; Y257-L269 HydrophobicContact CE2-CD1 3.8Å
258H90.6Very high92.2Very high43 Ų4335.5 Ų35.520%0.19918%0.18CC..Hα-helixtrans-56.9-42169.5171.373.4000112A254 V255 A256 R261 L290A254-H258 WeakPolarHBondContact O-CB 3.39Å; A254-H258 PolarHBondContact O-N 3.01Å; V255-H258 WeakPolarHBondContact O-CB 3.4Å; V255-H258 PolarHBondContact O-N 2.98Å; A256-H258 VanDerWaalsContact C-N 3.34Å; A256-H258 PolarHBondContact O-N 3.22Å; H258-R261 WeakPolarHBondContact O-CA 3.46Å; H258-R261 PolarHBondContact O-N 2.93Å; H258-L290 HydrophobicContact CB-CD1 4.38Å; H258-L290 HydrophobicContact CB-CD2 4.28Å; H258-L290 WeakPolarHBondContact ND1-CD2 3.49Å
259N86.3Confident92.2Very high37 Ų3736.2 Ų36.220%0.19819%0.185CC..Hα-helixtrans-68.5-32.6178.1-72.2-18.4000113.3I228 V255 A256 Y257I228-N259 HydrophobicContact CD1-CB 3.86Å; I228-N259 HydrophobicContact CG1-CB 4.26Å; V255-N259 VanDerWaalsContact O-CG 3.31Å; V255-N259 PolarHBondContact O-N 3.06Å; A256-N259 WeakPolarHBondContact O-CB 3.37Å; A256-N259 PolarHBondContact O-N 3.07Å; A256-N259 VanDerWaalsContact O-N 3.09Å; Y257-N259 VanDerWaalsContact C-N 3.28Å; Y257-N259 PolarHBondContact O-N 3.47Å
260I85.9Confident92.3Very high77 Ų7736.2 Ų36.240%0.39519%0.185SC..Hα-helixtrans-73.9-18.8170.1-72.5168.6000111.6I228 L232 A256 Y257 D262I228-I260 HydrophobicContact CB-CD1 3.68Å; I228-I260 HydrophobicContact CB-CG1 3.64Å; I228-I260 HydrophobicContact CG1-CG1 4.03Å; I228-I260 HydrophobicContact CG2-CD1 3.29Å; I228-I260 HydrophobicContact CG2-CG1 3.52Å; L232-I260 HydrophobicContact CD1-CD1 3.72Å; A256-I260 PolarHBondContact O-N 3.33Å; Y257-I260 PolarHBondContact O-N 3.03Å; I260-D262 VanDerWaalsContact C-N 3.33Å; I260-D262 HydrophobicContact CG2-CB 4.44Å
261R84.5Confident92.3Very high96 Ų9638.6 Ų38.636%0.36220%0.198SC..THydrogen-bonded Turntrans69.626.1-172.3-47.1179.474.8-156.3-0.4113.6Y257 H258 I263 R418Y257-R261 PolarHBondContact O-N 3.4Å; H258-R261 WeakPolarHBondContact O-CA 3.46Å; H258-R261 PolarHBondContact O-N 2.93Å; R261-I263 PolarHBondContact O-N 3.2Å; R261-I263 VanDerWaalsContact O-N 3.13Å; R261-R418 VanDerWaalsContact NH1-NE 3.12Å; R261-R418 VanDerWaalsContact NH2-NH1 3.12Å
262D88.1Confident92.3Very high54 Ų5442.5 Ų42.529%0.28922%0.216SC..  trans-80.190.1163.8-168.1-26.2000108.3Y257 I260 Q265 A266Y257-D262 HydrophobicContact CD1-CB 4.04Å; Y257-D262 PolarHBondContact O-N 3.4Å; I260-D262 VanDerWaalsContact C-N 3.33Å; I260-D262 HydrophobicContact CG2-CB 4.44Å; D262-Q265 PolarHBondContact OD1-N 2.9Å; D262-Q265 WeakPolarHBondContact OD2-CG 3.34Å; D262-Q265 PolarHBondContact OD2-NE2 2.91Å; D262-A266 VanDerWaalsContact O-CB 3.29Å; D262-A266 WeakPolarHBondContact O-CB 3.39Å; D262-A266 PolarHBondContact O-N 3.24Å
263I90.1Very high92.3Very high46 Ų4641.6 Ų41.624%0.23621%0.212CC..Hα-helixtrans-68.7-40.1-171.1-55.8177000110.3R261 A266 L267 L290 V293 K294R261-I263 PolarHBondContact O-N 3.2Å; R261-I263 VanDerWaalsContact O-N 3.13Å; I263-A266 PolarHBondContact O-N 2.84Å; I263-L267 HydrophobicContact CG2-CD1 3.78Å; I263-L267 HydrophobicContact CG2-CG 4.2Å; I263-L267 WeakPolarHBondContact O-CB 3.32Å; I263-L267 WeakPolarHBondContact O-CG 3.45Å; I263-L267 PolarHBondContact O-N 3.39Å; I263-L290 HydrophobicContact CG1-CD2 4.49Å; I263-L290 HydrophobicContact CG2-CD2 4.21Å; I263-V293 HydrophobicContact CD1-CG1 3.79Å; I263-K294 HydrophobicContact CG2-CD 4.41Å
264D91.4Very high92.3Very high101 Ų10143 Ų4354%0.5422%0.216SC..Hα-helixtrans-71.9-43.5-172.8-67.5-42.2000111.9L267 A268 K294D264-L267 PolarHBondContact O-N 3.41Å; D264-A268 PolarHBondContact O-N 3.15Å; D264-K294 IonicContact OD1-NZ 3.95Å; D264-K294 PolarHBondContact OD1-NZ 3.45Å
265Q92.9Very high92.2Very high90 Ų9050.6 Ų50.642%0.42125%0.252SS..Hα-helixtrans-65.2-41.4174.4-65.8-169.91000111.7Y257 D262 L267 A268 L269Y257-Q265 HydrophobicContact CD1-CB 4.18Å; Y257-Q265 HydrophobicContact CE1-CB 4.4Å; Y257-Q265 HydrophobicContact CG-CB 4.25Å; Y257-Q265 PolarHBondContact OH-OE1 2.93Å; D262-Q265 PolarHBondContact OD1-N 2.9Å; D262-Q265 WeakPolarHBondContact OD2-CG 3.34Å; D262-Q265 PolarHBondContact OD2-NE2 2.91Å; Q265-L267 PolarHBondContact O-N 3.11Å; Q265-A268 PolarHBondContact O-N 3.31Å; Q265-L269 WeakPolarHBondContact O-CG 3.2Å; Q265-L269 PolarHBondContact O-N 3.18Å; Q265-L269 VanDerWaalsContact O-N 3.13Å
266A95.4Very high92.3Very high0 Ų055.6 Ų55.60%027%0.274CS..Hα-helixtrans-61.9-43.517700000112D262 I263 L269 F270 L290D262-A266 VanDerWaalsContact O-CB 3.29Å; D262-A266 WeakPolarHBondContact O-CB 3.39Å; D262-A266 PolarHBondContact O-N 3.24Å; I263-A266 PolarHBondContact O-N 2.84Å; A266-L269 PolarHBondContact O-N 2.84Å; A266-F270 WeakPolarHBondContact O-CD2 3.45Å; A266-F270 PolarHBondContact O-N 2.95Å; A266-L290 HydrophobicContact CB-CD1 3.63Å; A266-L290 HydrophobicContact CB-CD2 4.47Å
267L94.8Very high92.3Very high8 Ų858 Ų584%0.04229%0.286CS..Hα-helixtrans-63.4-42.1177.6-75.2172.2000112.3I263 D264 Q265 L269 F270 N271 F287 L290 L291 K294 M296I263-L267 HydrophobicContact CG2-CD1 3.78Å; I263-L267 HydrophobicContact CG2-CG 4.2Å; I263-L267 WeakPolarHBondContact O-CB 3.32Å; I263-L267 WeakPolarHBondContact O-CG 3.45Å; I263-L267 PolarHBondContact O-N 3.39Å; D264-L267 PolarHBondContact O-N 3.41Å; Q265-L267 PolarHBondContact O-N 3.11Å; L267-L269 PolarHBondContact O-N 3.21Å; L267-F270 PolarHBondContact O-N 3.29Å; L267-N271 PolarHBondContact O-N 3.15Å; L267-N271 PolarHBondContact O-ND2 3.37Å; L267-F287 HydrophobicContact CD2-CD2 4.02Å; L267-F287 HydrophobicContact CD2-CE2 3.61Å; L267-L290 HydrophobicContact CD2-CB 3.84Å; L267-L290 HydrophobicContact CG-CB 4.39Å; L267-L291 HydrophobicContact CD2-CD2 3.7Å; L267-L291 HydrophobicContact CD2-CG 4.38Å; L267-K294 HydrophobicContact CD1-CD 3.45Å; L267-K294 VanDerWaalsContact CD1-CD 3.45Å; L267-M296 HydrophobicContact CD1-CE 3.64Å; L267-M296 HydrophobicContact CD2-CE 4.05Å; L267-M296 HydrophobicContact CG-CE 4.49Å
268A95.5Very high92.4Very high59 Ų5958.7 Ų58.749%0.48830%0.297SS..Hα-helixtrans-58.8-47.4176.700000111.4D264 Q265 F270 N271 E272D264-A268 PolarHBondContact O-N 3.15Å; Q265-A268 PolarHBondContact O-N 3.31Å; A268-F270 PolarHBondContact O-N 2.94Å; A268-N271 PolarHBondContact O-N 3.31Å; A268-E272 PolarHBondContact O-N 2.81Å
269L95.4Very high92.7Very high34 Ų3464.9 Ų64.918%0.17832%0.32CS..Hα-helixtrans-65.7-37177.9-70.3169.6000113.1I253 A254 Y257 Q265 A266 L267 N271 E272 L273I253-L269 HydrophobicContact CB-CD1 4.36Å; I253-L269 HydrophobicContact CG2-CD1 3.56Å; A254-L269 HydrophobicContact CB-CB 3.93Å; A254-L269 HydrophobicContact CB-CD1 4.47Å; Y257-L269 HydrophobicContact CD2-CD1 3.54Å; Y257-L269 HydrophobicContact CE2-CD1 3.8Å; Q265-L269 WeakPolarHBondContact O-CG 3.2Å; Q265-L269 PolarHBondContact O-N 3.18Å; Q265-L269 VanDerWaalsContact O-N 3.13Å; A266-L269 PolarHBondContact O-N 2.84Å; L267-L269 PolarHBondContact O-N 3.21Å; L269-N271 VanDerWaalsContact C-N 3.34Å; L269-E272 PolarHBondContact O-N 3.27Å; L269-L273 VanDerWaalsContact O-CB 3.27Å; L269-L273 WeakPolarHBondContact O-CB 3.34Å; L269-L273 PolarHBondContact O-N 3.41Å
270F96.1Very high93Very high0 Ų064 Ų640%031%0.314CS..Hα-helixtrans-68.4-34.4174.8-83.6-61.4000112.6A254 V255 A266 L267 A268 L273 R274 N283 M284 T286 F287 L290A254-F270 HydrophobicContact CB-CD1 4.16Å; A254-F270 HydrophobicContact CB-CD2 3.84Å; A254-F270 HydrophobicContact CB-CE1 3.91Å; A254-F270 HydrophobicContact CB-CE2 3.56Å; A254-F270 HydrophobicContact CB-CG 4.11Å; A254-F270 HydrophobicContact CB-CZ 3.59Å; V255-F270 HydrophobicContact CG2-CZ 4.35Å; A266-F270 WeakPolarHBondContact O-CD2 3.45Å; A266-F270 PolarHBondContact O-N 2.95Å; L267-F270 PolarHBondContact O-N 3.29Å; A268-F270 PolarHBondContact O-N 2.94Å; F270-L273 HydrophobicContact CD1-CD2 4.08Å; F270-L273 HydrophobicContact CE1-CD2 4.37Å; F270-L273 PolarHBondContact O-N 3.11Å; F270-R274 WeakPolarHBondContact O-CG 3.49Å; F270-R274 PolarHBondContact O-N 3.33Å; F270-R274 VanDerWaalsContact O-N 3.09Å; F270-N283 HydrophobicContact CE1-CB 4.25Å; F270-M284 HydrophobicContact CD1-CE 4.38Å; F270-T286 WeakPolarHBondContact CZ-OG1 3.29Å; F270-F287 HydrophobicContact CB-CB 4.32Å; F270-F287 HydrophobicContact CB-CD2 3.24Å; F270-F287 HydrophobicContact CB-CE2 3.52Å; F270-F287 HydrophobicContact CB-CG 3.8Å; F270-F287 HydrophobicContact CB-CZ 4.29Å; F270-F287 HydrophobicContact CD1-CB 3.85Å; F270-F287 HydrophobicContact CD1-CD2 4.35Å; F270-F287 HydrophobicContact CD1-CG 4.22Å; F270-F287 HydrophobicContact CD2-CB 4.07Å; F270-F287 AromaticContact CD2-CD2 3.73Å; F270-F287 HydrophobicContact CD2-CD2 3.73Å; F270-F287 HydrophobicContact CD2-CG 4.27Å; F270-F287 HydrophobicContact CE1-CB 4.15Å; F270-F287 HydrophobicContact CE2-CB 4.36Å; F270-F287 HydrophobicContact CG-CB 3.83Å; F270-F287 AromaticContact CG-CD2 3.53Å; F270-F287 HydrophobicContact CG-CD2 3.53Å; F270-F287 HydrophobicContact CG-CE2 4.31Å; F270-F287 AromaticContact CG-CG 3.86Å; F270-F287 HydrophobicContact CG-CG 3.86Å; F270-F287 HydrophobicContact CZ-CB 4.41Å; F270-L290 HydrophobicContact CD2-CD1 3.64Å; F270-L290 HydrophobicContact CE2-CD1 3.54Å
271N94.8Very high93.4Very high60 Ų6060.7 Ų60.732%0.32130%0.297SS..Hα-helixtrans-66.8-46.6173.7-72.8-25.8000110.9L267 A268 L269 L273 R274 E275 F287L267-N271 PolarHBondContact O-N 3.15Å; L267-N271 PolarHBondContact O-ND2 3.37Å; A268-N271 PolarHBondContact O-N 3.31Å; L269-N271 VanDerWaalsContact C-N 3.34Å; N271-L273 VanDerWaalsContact C-N 3.32Å; N271-L273 PolarHBondContact O-N 3.46Å; N271-R274 PolarHBondContact O-N 3.48Å; N271-R274 VanDerWaalsContact O-N 3.12Å; N271-E275 PolarHBondContact O-N 2.96Å; N271-F287 WeakPolarHBondContact OD1-CZ 3.46Å
272E94.8Very high93.8Very high82 Ų8257.5 Ų57.538%0.38329%0.287SS..Hα-helixtrans-56.6-45172.7179.3-177.5174.900111.6A268 L269 R274 E275 H276A268-E272 PolarHBondContact O-N 2.81Å; L269-E272 PolarHBondContact O-N 3.27Å; E272-R274 VanDerWaalsContact C-N 3.27Å; E272-R274 PolarHBondContact O-N 3.28Å; E272-E275 PolarHBondContact O-N 3.33Å; E272-H276 PolarHBondContact O-CD2 3.16Å; E272-H276 VanDerWaalsContact O-CD2 3.29Å; E272-H276 PolarHBondContact O-N 2.85Å; E272-H276 IonicContact OE1-NE2 2.99Å
273L95Very high94Very high0 Ų056.7 Ų56.70%028%0.283CS..Hα-helixtrans-58-39.2176.9-178.764.8000112.3T247 I250 L269 F270 N271 D277 M284T247-L273 HydrophobicContact CG2-CD1 4.11Å; T247-L273 WeakPolarHBondContact O-CD1 3.46Å; I250-L273 HydrophobicContact CB-CD1 4.36Å; I250-L273 HydrophobicContact CG2-CB 4.1Å; I250-L273 HydrophobicContact CG2-CD1 4.25Å; L269-L273 VanDerWaalsContact O-CB 3.27Å; L269-L273 WeakPolarHBondContact O-CB 3.34Å; L269-L273 PolarHBondContact O-N 3.41Å; F270-L273 HydrophobicContact CD1-CD2 4.08Å; F270-L273 HydrophobicContact CE1-CD2 4.37Å; F270-L273 PolarHBondContact O-N 3.11Å; N271-L273 VanDerWaalsContact C-N 3.32Å; N271-L273 PolarHBondContact O-N 3.46Å; L273-D277 PolarHBondContact O-N 2.71Å; L273-M284 HydrophobicContact CD2-CE 4.09Å
274R94.6Very high94.2Very high43 Ų4354.5 Ų54.516%0.16227%0.272CS..Hα-helixtrans-76.1-28.9178.6-73.6-172.369.4-139.11113.3F270 N271 E272 D277 P278 M284 N306F270-R274 WeakPolarHBondContact O-CG 3.49Å; F270-R274 PolarHBondContact O-N 3.33Å; F270-R274 VanDerWaalsContact O-N 3.09Å; N271-R274 PolarHBondContact O-N 3.48Å; N271-R274 VanDerWaalsContact O-N 3.12Å; E272-R274 VanDerWaalsContact C-N 3.27Å; E272-R274 PolarHBondContact O-N 3.28Å; R274-D277 CarbonylContact O-C 3.4Å; R274-P278 VanDerWaalsContact O-CA 3.32Å; R274-P278 WeakPolarHBondContact O-CA 3.39Å; R274-M284 HydrophobicContact CG-CE 4.35Å; R274-M284 HydrophobicContact CG-SD 4.17Å; R274-N306 PolarHBondContact NH2-ND2 3.3Å
275E93.9Very high94.3Very high160 Ų16051.6 Ų51.675%0.74826%0.256SS*.Hα-helixtrans-68.1-39.6171.8-71.2-177.8-17900111N271 E272N271-E275 PolarHBondContact O-N 2.96Å; E272-E275 PolarHBondContact O-N 3.33Å
276H92.8Very high94.3Very high125 Ų12548.3 Ų48.358%0.57924%0.242SC*.Hα-helixtrans-74.7-39.3177-76.2-56.9000114.1E272E272-H276 PolarHBondContact O-CD2 3.16Å; E272-H276 VanDerWaalsContact O-CD2 3.29Å; E272-H276 PolarHBondContact O-N 2.85Å; E272-H276 IonicContact OE1-NE2 2.99Å
277D93.8Very high94.3Very high50 Ų5048.4 Ų48.427%0.26724%0.243SC..  trans-134.484.2180-169.9-4.5000111.2T247 L273 R274 Y279 R280T247-D277 HydrophobicContact CG2-CB 4.09Å; L273-D277 PolarHBondContact O-N 2.71Å; R274-D277 CarbonylContact O-C 3.4Å; D277-Y279 PolarHBondContact O-N 3.36Å; D277-Y279 VanDerWaalsContact O-N 3.16Å; D277-Y279 PolarHBondContact OD1-N 3.42Å; D277-R280 HydrophobicContact CB-CB 4.08Å; D277-R280 WeakPolarHBondContact O-CB 3.32Å; D277-R280 PolarHBondContact O-N 2.87Å; D277-R280 PolarHBondContact OD1-N 3.23Å
278P94.6Very high94.4Very high67 Ų6748 Ų4844%0.43524%0.241SC..THydrogen-bonded Turntrans-62.6-22.2-176-25.735.2000114.8R274R274-P278 VanDerWaalsContact O-CA 3.32Å; R274-P278 WeakPolarHBondContact O-CA 3.39Å
279Y95.3Very high94.3Very high174 Ų17446.2 Ų46.268%0.68222%0.223SC*.THydrogen-bonded Turntrans-100.55-175.2-58.1-66.7000113.2D277 I281 I310D277-Y279 PolarHBondContact O-N 3.36Å; D277-Y279 VanDerWaalsContact O-N 3.16Å; D277-Y279 PolarHBondContact OD1-N 3.42Å; Y279-I281 PolarHBondContact O-N 3.09Å; Y279-I310 HydrophobicContact CD1-CD1 4.04Å; Y279-I310 HydrophobicContact CD1-CG1 3.99Å
280R94Very high94.2Very high18 Ų1844.8 Ų44.87%0.06822%0.215CC..  trans-72.1118.6178.6-172.6175.3176.989.1-1.4111.7E41 S251 D277 D282 M284E41-R280 IonicContact OE2-NH1 3.87Å; S251-R280 PolarHBondContact OG-NH2 3.24Å; D277-R280 HydrophobicContact CB-CB 4.08Å; D277-R280 WeakPolarHBondContact O-CB 3.32Å; D277-R280 PolarHBondContact O-N 2.87Å; D277-R280 PolarHBondContact OD1-N 3.23Å; R280-D282 HydrophobicContact CG-CB 4.22Å; R280-M284 VanDerWaalsContact O-CG 3.29Å; R280-M284 WeakPolarHBondContact O-CG 3.2Å
281I94.3Very high94.1Very high8 Ų844.8 Ų44.84%0.04122%0.215CC..  trans-95.9-23.9175-54.7-179000111.8Y279 N283 M284 L307 I310 D311 R314 E316Y279-I281 PolarHBondContact O-N 3.09Å; I281-N283 PolarHBondContact O-N 3Å; I281-M284 WeakPolarHBondContact O-CB 3.49Å; I281-M284 WeakPolarHBondContact O-CG 3.4Å; I281-M284 PolarHBondContact O-N 3.28Å; I281-L307 HydrophobicContact CG1-CD2 4.08Å; I281-I310 HydrophobicContact CD1-CB 4.24Å; I281-I310 HydrophobicContact CD1-CG2 3.8Å; I281-I310 HydrophobicContact CG1-CG2 4.25Å; I281-D311 HydrophobicContact CD1-CB 3.6Å; I281-R314 HydrophobicContact CG2-CB 4.49Å; I281-R314 HydrophobicContact CG2-CG 3.92Å; I281-E316 HydrophobicContact CG2-CB 3.83Å
282D91.9Very high94.1Very high29 Ų2945.9 Ų45.916%0.15522%0.216CC..THydrogen-bonded Turntrans-59.4133.1179.1-62.35.8000110.9K37 R280 M284 R314K37-D282 IonicContact NZ-OD1 2.61Å; K37-D282 IonicContact NZ-OD2 2.76Å; K37-D282 PolarHBondContact NZ-OD2 3.44Å; R280-D282 HydrophobicContact CG-CB 4.22Å; D282-M284 PolarHBondContact O-N 2.92Å; D282-R314 IonicContact OD1-CZ 3.78Å; D282-R314 IonicContact OD1-NH1 2.89Å; D282-R314 IonicContact OD1-NH2 2.76Å; D282-R314 PolarHBondContact OD1-NH2 3.17Å
283N92.8Very high93.9Very high37 Ų3746.2 Ų46.220%0.19822%0.223CC..THydrogen-bonded Turntrans65.65.7-178.5-56.3-31.4000116S251 F270 I281 D285 T286 F287S251-N283 WeakPolarHBondContact CB-ND2 3.48Å; S251-N283 PolarHBondContact OG-ND2 3.42Å; S251-N283 VanDerWaalsContact OG-ND2 3.13Å; F270-N283 HydrophobicContact CE1-CB 4.25Å; I281-N283 PolarHBondContact O-N 3Å; N283-D285 VanDerWaalsContact C-OD1 3.26Å; N283-D285 WeakPolarHBondContact CA-OD1 3.29Å; N283-D285 PolarHBondContact O-N 2.93Å; N283-T286 PolarHBondContact O-N 3.5Å; N283-T286 PolarHBondContact O-OG1 3.46Å; N283-F287 PolarHBondContact O-N 2.92Å
284M94.9Very high93.8Very high0 Ų050.6 Ų50.60%024%0.242CC..Hα-helixtrans-69.5-19.7177-65.7-61.5117.700113.1F270 L273 R274 R280 I281 D282 F287 S288 L303 L307 V320F270-M284 HydrophobicContact CD1-CE 4.38Å; L273-M284 HydrophobicContact CD2-CE 4.09Å; R274-M284 HydrophobicContact CG-CE 4.35Å; R274-M284 HydrophobicContact CG-SD 4.17Å; R280-M284 VanDerWaalsContact O-CG 3.29Å; R280-M284 WeakPolarHBondContact O-CG 3.2Å; I281-M284 WeakPolarHBondContact O-CB 3.49Å; I281-M284 WeakPolarHBondContact O-CG 3.4Å; I281-M284 PolarHBondContact O-N 3.28Å; D282-M284 PolarHBondContact O-N 2.92Å; M284-F287 PolarHBondContact O-N 3.04Å; M284-F287 HydrophobicContact SD-CD1 4.13Å; M284-S288 WeakPolarHBondContact O-CB 3.42Å; M284-S288 PolarHBondContact O-N 3.37Å; M284-S288 PolarHBondContact O-OG 3.16Å; M284-L303 HydrophobicContact SD-CD1 4.19Å; M284-L307 HydrophobicContact CB-CD1 3.83Å; M284-L307 HydrophobicContact CG-CD1 4.32Å; M284-L307 HydrophobicContact CG-CD2 4.16Å; M284-V320 HydrophobicContact CB-CG2 4.32Å; M284-V320 WeakPolarHBondContact O-CG2 3.37Å
285D93.2Very high93.7Very high40 Ų4052.2 Ų52.221%0.21426%0.26CS..Hα-helixtrans-61.2-46.6168.862.2-27.1000111.4N283 S288 N289 C319N283-D285 VanDerWaalsContact C-OD1 3.26Å; N283-D285 WeakPolarHBondContact CA-OD1 3.29Å; N283-D285 PolarHBondContact O-N 2.93Å; D285-S288 PolarHBondContact O-N 3.13Å; D285-S288 PolarHBondContact O-OG 2.69Å; D285-N289 VanDerWaalsContact O-CG 3.24Å; D285-N289 PolarHBondContact O-N 3.42Å; D285-N289 PolarHBondContact O-ND2 3.23Å; D285-C319 HydrophobicContact CB-CB 4.15Å
286T92.8Very high93.7Very high21 Ų2146.3 Ų46.313%0.12923%0.233CC..Hα-helixtrans-65.8-39.7175.663.10000112.4V255 F270 N283 S288 N289 L290V255-T286 HydrophobicContact CG2-CG2 4.4Å; F270-T286 WeakPolarHBondContact CZ-OG1 3.29Å; N283-T286 PolarHBondContact O-N 3.5Å; N283-T286 PolarHBondContact O-OG1 3.46Å; T286-S288 PolarHBondContact O-N 2.94Å; T286-N289 WeakPolarHBondContact O-CB 3.39Å; T286-N289 PolarHBondContact O-N 3.48Å; T286-L290 PolarHBondContact O-N 3.47Å; T286-L290 VanDerWaalsContact O-N 3.1Å
287F95.4Very high93.7Very high2 Ų246.4 Ų46.41%0.00923%0.232CC..Hα-helixtrans-60.4-45.8173.1-178.3-134.2000111.3L267 F270 N271 N283 M284 N289 L290 L291 L303L267-F287 HydrophobicContact CD2-CD2 4.02Å; L267-F287 HydrophobicContact CD2-CE2 3.61Å; F270-F287 HydrophobicContact CB-CB 4.32Å; F270-F287 HydrophobicContact CB-CD2 3.24Å; F270-F287 HydrophobicContact CB-CE2 3.52Å; F270-F287 HydrophobicContact CB-CG 3.8Å; F270-F287 HydrophobicContact CB-CZ 4.29Å; F270-F287 HydrophobicContact CD1-CB 3.85Å; F270-F287 HydrophobicContact CD1-CD2 4.35Å; F270-F287 HydrophobicContact CD1-CG 4.22Å; F270-F287 HydrophobicContact CD2-CB 4.07Å; F270-F287 AromaticContact CD2-CD2 3.73Å; F270-F287 HydrophobicContact CD2-CD2 3.73Å; F270-F287 HydrophobicContact CD2-CG 4.27Å; F270-F287 HydrophobicContact CE1-CB 4.15Å; F270-F287 HydrophobicContact CE2-CB 4.36Å; F270-F287 HydrophobicContact CG-CB 3.83Å; F270-F287 AromaticContact CG-CD2 3.53Å; F270-F287 HydrophobicContact CG-CD2 3.53Å; F270-F287 HydrophobicContact CG-CE2 4.31Å; F270-F287 AromaticContact CG-CG 3.86Å; F270-F287 HydrophobicContact CG-CG 3.86Å; F270-F287 HydrophobicContact CZ-CB 4.41Å; N271-F287 WeakPolarHBondContact OD1-CZ 3.46Å; N283-F287 PolarHBondContact O-N 2.92Å; M284-F287 PolarHBondContact O-N 3.04Å; M284-F287 HydrophobicContact SD-CD1 4.13Å; F287-N289 VanDerWaalsContact C-N 3.28Å; F287-N289 PolarHBondContact O-N 2.92Å; F287-L290 WeakPolarHBondContact O-CB 3.46Å; F287-L290 PolarHBondContact O-N 3.13Å; F287-L290 VanDerWaalsContact O-N 3.08Å; F287-L291 HydrophobicContact CD1-CD1 4.16Å; F287-L291 HydrophobicContact CD2-CG 4.3Å; F287-L291 HydrophobicContact CE1-CD1 3.82Å; F287-L291 HydrophobicContact CE1-CG 4.43Å; F287-L291 HydrophobicContact CE2-CD1 4.32Å; F287-L291 HydrophobicContact CE2-CD2 3.88Å; F287-L291 HydrophobicContact CE2-CG 4.06Å; F287-L291 HydrophobicContact CZ-CD1 3.91Å; F287-L291 HydrophobicContact CZ-CD2 3.93Å; F287-L291 HydrophobicContact CZ-CG 4.12Å; F287-L291 WeakPolarHBondContact O-CG 3.38Å; F287-L291 PolarHBondContact O-N 2.96Å; F287-L303 HydrophobicContact CD1-CD1 4.06Å; F287-L303 HydrophobicContact CD1-CD2 3.52Å; F287-L303 HydrophobicContact CD1-CG 4.4Å; F287-L303 HydrophobicContact CE1-CD1 4.15Å; F287-L303 HydrophobicContact CE1-CD2 3.94Å; F287-L303 HydrophobicContact CG-CD2 4.46Å
288S96Very high93.8Very high0 Ų049 Ų490%025%0.251CS..Hα-helixtrans-61.6-34.4176.8780000113.1M284 D285 T286 L291 Y292 N323M284-S288 WeakPolarHBondContact O-CB 3.42Å; M284-S288 PolarHBondContact O-N 3.37Å; M284-S288 PolarHBondContact O-OG 3.16Å; D285-S288 PolarHBondContact O-N 3.13Å; D285-S288 PolarHBondContact O-OG 2.69Å; T286-S288 PolarHBondContact O-N 2.94Å; S288-L291 PolarHBondContact O-N 3.11Å; S288-Y292 WeakPolarHBondContact O-CB 3.3Å; S288-Y292 PolarHBondContact O-N 2.85Å; S288-N323 PolarHBondContact OG-ND2 3.25Å
289N93.5Very high93.8Very high20 Ų2049.8 Ų49.811%0.10725%0.249CC..Hα-helixtrans-64.9-40.4173.9-65.7-29.1000111.4D285 T286 F287 Y292 V293 N323D285-N289 VanDerWaalsContact O-CG 3.24Å; D285-N289 PolarHBondContact O-N 3.42Å; D285-N289 PolarHBondContact O-ND2 3.23Å; T286-N289 WeakPolarHBondContact O-CB 3.39Å; T286-N289 PolarHBondContact O-N 3.48Å; F287-N289 VanDerWaalsContact C-N 3.28Å; F287-N289 PolarHBondContact O-N 2.92Å; N289-Y292 WeakPolarHBondContact O-CB 3.25Å; N289-Y292 PolarHBondContact O-N 3.42Å; N289-V293 VanDerWaalsContact O-CG2 3.3Å; N289-V293 WeakPolarHBondContact O-CG2 3.19Å; N289-V293 PolarHBondContact O-N 2.91Å; N289-N323 PolarHBondContact OD1-ND2 3.46Å
290L93.6Very high93.8Very high5 Ų541.5 Ų41.53%0.02622%0.216CC..Hα-helixtrans-65.1-45.2176-68.2168.5000111.6H258 I263 A266 L267 F270 T286 F287 Y292 V293 K294H258-L290 HydrophobicContact CB-CD1 4.38Å; H258-L290 HydrophobicContact CB-CD2 4.28Å; H258-L290 WeakPolarHBondContact ND1-CD2 3.49Å; I263-L290 HydrophobicContact CG1-CD2 4.49Å; I263-L290 HydrophobicContact CG2-CD2 4.21Å; A266-L290 HydrophobicContact CB-CD1 3.63Å; A266-L290 HydrophobicContact CB-CD2 4.47Å; L267-L290 HydrophobicContact CD2-CB 3.84Å; L267-L290 HydrophobicContact CG-CB 4.39Å; F270-L290 HydrophobicContact CD2-CD1 3.64Å; F270-L290 HydrophobicContact CE2-CD1 3.54Å; T286-L290 PolarHBondContact O-N 3.47Å; T286-L290 VanDerWaalsContact O-N 3.1Å; F287-L290 WeakPolarHBondContact O-CB 3.46Å; F287-L290 PolarHBondContact O-N 3.13Å; F287-L290 VanDerWaalsContact O-N 3.08Å; L290-Y292 VanDerWaalsContact C-N 3.28Å; L290-Y292 PolarHBondContact O-N 3.34Å; L290-V293 PolarHBondContact O-N 2.91Å; L290-K294 PolarHBondContact O-N 3.4Å
291L94.6Very high93.9Very high0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-60.2-39.3175.5-63178.9000111.8L267 F287 S288 S295 M296 E299 L300 L303L267-L291 HydrophobicContact CD2-CD2 3.7Å; L267-L291 HydrophobicContact CD2-CG 4.38Å; F287-L291 HydrophobicContact CD1-CD1 4.16Å; F287-L291 HydrophobicContact CD2-CG 4.3Å; F287-L291 HydrophobicContact CE1-CD1 3.82Å; F287-L291 HydrophobicContact CE1-CG 4.43Å; F287-L291 HydrophobicContact CE2-CD1 4.32Å; F287-L291 HydrophobicContact CE2-CD2 3.88Å; F287-L291 HydrophobicContact CE2-CG 4.06Å; F287-L291 HydrophobicContact CZ-CD1 3.91Å; F287-L291 HydrophobicContact CZ-CD2 3.93Å; F287-L291 HydrophobicContact CZ-CG 4.12Å; F287-L291 WeakPolarHBondContact O-CG 3.38Å; F287-L291 PolarHBondContact O-N 2.96Å; S288-L291 PolarHBondContact O-N 3.11Å; L291-S295 PolarHBondContact O-N 3.09Å; L291-M296 HydrophobicContact CD2-CE 3.29Å; L291-M296 PolarHBondContact O-N 3.39Å; L291-E299 HydrophobicContact CD1-CB 4.4Å; L291-E299 HydrophobicContact CD2-CB 4.13Å; L291-E299 WeakPolarHBondContact CD2-OE2 3.39Å; L291-L300 HydrophobicContact CB-CB 4.18Å; L291-L300 HydrophobicContact CB-CD1 4.31Å; L291-L300 HydrophobicContact CD1-CB 4.23Å; L291-L300 HydrophobicContact CD1-CD1 4.18Å; L291-L303 HydrophobicContact CD1-CD2 3.87Å
292Y93.8Very high94Very high83 Ų8348.4 Ų48.433%0.32525%0.247SC..Hα-helixtrans-62.7-49.3175.2-180-88.9000111.5S288 N289 L290 K294 S295 S326 L327S288-Y292 WeakPolarHBondContact O-CB 3.3Å; S288-Y292 PolarHBondContact O-N 2.85Å; N289-Y292 WeakPolarHBondContact O-CB 3.25Å; N289-Y292 PolarHBondContact O-N 3.42Å; L290-Y292 VanDerWaalsContact C-N 3.28Å; L290-Y292 PolarHBondContact O-N 3.34Å; Y292-K294 VanDerWaalsContact C-N 3.33Å; Y292-K294 PolarHBondContact O-N 3.44Å; Y292-S295 WeakPolarHBondContact O-CA 3.23Å; Y292-S295 PolarHBondContact O-N 3.26Å; Y292-S326 WeakPolarHBondContact CE2-OG 3.47Å; Y292-S326 PolarHBondContact OH-OG 2.94Å; Y292-L327 HydrophobicContact CD2-CB 3.92Å; Y292-L327 HydrophobicContact CD2-CD1 4.01Å; Y292-L327 HydrophobicContact CD2-CG 4.45Å; Y292-L327 HydrophobicContact CE2-CB 4.03Å; Y292-L327 HydrophobicContact CE2-CD1 4.07Å
293V91.3Very high94.2Very high88 Ų8847 Ų4753%0.53324%0.24SC..Hα-helixtrans-61-41.2179.1172.20000111.4I263 N289 L290 S295I263-V293 HydrophobicContact CD1-CG1 3.79Å; N289-V293 VanDerWaalsContact O-CG2 3.3Å; N289-V293 WeakPolarHBondContact O-CG2 3.19Å; N289-V293 PolarHBondContact O-N 2.91Å; L290-V293 PolarHBondContact O-N 2.91Å; V293-S295 PolarHBondContact O-N 2.95Å
294K92.1Very high94.3Very high93 Ų9345.4 Ų45.440%0.40423%0.232SC..THydrogen-bonded Turntrans-77.9-1.7175.8-162.8166.3176.7172.60113.3I263 D264 L267 L290 Y292 M296I263-K294 HydrophobicContact CG2-CD 4.41Å; D264-K294 IonicContact OD1-NZ 3.95Å; D264-K294 PolarHBondContact OD1-NZ 3.45Å; L267-K294 HydrophobicContact CD1-CD 3.45Å; L267-K294 VanDerWaalsContact CD1-CD 3.45Å; L290-K294 PolarHBondContact O-N 3.4Å; Y292-K294 VanDerWaalsContact C-N 3.33Å; Y292-K294 PolarHBondContact O-N 3.44Å; K294-M296 HydrophobicContact CB-CE 4.37Å; K294-M296 HydrophobicContact CB-CG 4Å; K294-M296 HydrophobicContact CB-SD 4.44Å; K294-M296 HydrophobicContact CD-CE 3.89Å; K294-M296 HydrophobicContact CD-CG 4.23Å; K294-M296 HydrophobicContact CD-SD 3.65Å; K294-M296 HydrophobicContact CG-CE 4.38Å; K294-M296 HydrophobicContact CG-CG 3.82Å; K294-M296 HydrophobicContact CG-SD 3.94Å; K294-M296 PolarHBondContact O-N 2.89Å
295S92.6Very high94.4Very high77 Ų7750.5 Ų50.554%0.53826%0.255SS..THydrogen-bonded Turntrans56.531.1-179-64.40000114.7L291 Y292 V293 K297L291-S295 PolarHBondContact O-N 3.09Å; Y292-S295 WeakPolarHBondContact O-CA 3.23Å; Y292-S295 PolarHBondContact O-N 3.26Å; V293-S295 PolarHBondContact O-N 2.95Å; S295-K297 PolarHBondContact O-N 3.13Å
296M93.8Very high94.5Very high35 Ų3549.9 Ų49.917%0.17225%0.252CS..  trans-81.878.3-178.9-61.1-165.2-57.100111.3L267 L291 K294 E299 L300L267-M296 HydrophobicContact CD1-CE 3.64Å; L267-M296 HydrophobicContact CD2-CE 4.05Å; L267-M296 HydrophobicContact CG-CE 4.49Å; L291-M296 HydrophobicContact CD2-CE 3.29Å; L291-M296 PolarHBondContact O-N 3.39Å; K294-M296 HydrophobicContact CB-CE 4.37Å; K294-M296 HydrophobicContact CB-CG 4Å; K294-M296 HydrophobicContact CB-SD 4.44Å; K294-M296 HydrophobicContact CD-CE 3.89Å; K294-M296 HydrophobicContact CD-CG 4.23Å; K294-M296 HydrophobicContact CD-SD 3.65Å; K294-M296 HydrophobicContact CG-CE 4.38Å; K294-M296 HydrophobicContact CG-CG 3.82Å; K294-M296 HydrophobicContact CG-SD 3.94Å; K294-M296 PolarHBondContact O-N 2.89Å; M296-E299 HydrophobicContact CB-CB 4.44Å; M296-E299 WeakPolarHBondContact CE-OE2 3.21Å; M296-L300 PolarHBondContact O-N 3.27Å; M296-L300 VanDerWaalsContact O-N 3.14Å
297K93.4Very high94.7Very high128 Ų12849.1 Ų49.156%0.55725%0.247SC*.Hα-helixtrans-55.3-45.1-176.6-64.1179.2-178.4-179.80114.7S295 S301 L327S295-K297 PolarHBondContact O-N 3.13Å; K297-S301 WeakPolarHBondContact O-CB 3.46Å; K297-S301 PolarHBondContact O-N 2.93Å; K297-L327 HydrophobicContact CB-CD2 4.25Å; K297-L327 HydrophobicContact CG-CD2 3.57Å; K297-L327 HydrophobicContact CG-CG 3.87Å
298P95.3Very high94.7Very high104 Ų10451.7 Ų51.768%0.67526%0.263SS*.Hα-helixtrans-65.9-46-176.8-20.233000112.5S301 Y302P298-S301 WeakPolarHBondContact O-CB 3.38Å; P298-S301 PolarHBondContact O-N 3.18Å; P298-Y302 PolarHBondContact O-N 3.08Å
299E94.8Very high94.7Very high84 Ų8459.5 Ų59.539%0.39330%0.299SS..Hα-helixtrans-65.5-42.6-179.1-66-177.7-171.100111.7L291 M296 S301 Y302 L303L291-E299 HydrophobicContact CD1-CB 4.4Å; L291-E299 HydrophobicContact CD2-CB 4.13Å; L291-E299 WeakPolarHBondContact CD2-OE2 3.39Å; M296-E299 HydrophobicContact CB-CB 4.44Å; M296-E299 WeakPolarHBondContact CE-OE2 3.21Å; E299-S301 VanDerWaalsContact C-N 3.32Å; E299-S301 PolarHBondContact O-N 2.99Å; E299-Y302 PolarHBondContact O-N 2.79Å; E299-L303 WeakPolarHBondContact O-CB 3.25Å; E299-L303 PolarHBondContact O-N 3.07Å
300L95.9Very high94.8Very high0 Ų061.1 Ų61.10%031%0.307CS..Hα-helixtrans-64.6-37.6176.2-176.559.5000111.9L291 M296 A304 V320 N323 L327L291-L300 HydrophobicContact CB-CB 4.18Å; L291-L300 HydrophobicContact CB-CD1 4.31Å; L291-L300 HydrophobicContact CD1-CB 4.23Å; L291-L300 HydrophobicContact CD1-CD1 4.18Å; M296-L300 PolarHBondContact O-N 3.27Å; M296-L300 VanDerWaalsContact O-N 3.14Å; L300-A304 WeakPolarHBondContact O-CB 3.37Å; L300-A304 PolarHBondContact O-N 2.98Å; L300-V320 HydrophobicContact CD1-CG1 4.21Å; L300-N323 HydrophobicContact CD2-CB 4.42Å; L300-L327 HydrophobicContact CD2-CB 4.14Å; L300-L327 HydrophobicContact CD2-CD2 3.64Å
301S96.2Very high94.8Very high29 Ų2963.9 Ų63.920%0.20332%0.322CS..Hα-helixtrans-63.8-45.9174.1-164.70000111.6K297 P298 E299 A304 H305 Y324K297-S301 WeakPolarHBondContact O-CB 3.46Å; K297-S301 PolarHBondContact O-N 2.93Å; P298-S301 WeakPolarHBondContact O-CB 3.38Å; P298-S301 PolarHBondContact O-N 3.18Å; E299-S301 VanDerWaalsContact C-N 3.32Å; E299-S301 PolarHBondContact O-N 2.99Å; S301-A304 PolarHBondContact O-N 3.46Å; S301-H305 PolarHBondContact O-CD2 2.92Å; S301-H305 PolarHBondContact O-N 3.48Å; S301-Y324 VanDerWaalsContact OG-CE2 3.24Å; S301-Y324 WeakPolarHBondContact OG-CE2 3.05Å
302Y95.9Very high94.8Very high141 Ų14168.5 Ų68.555%0.55334%0.343SS*.Hα-helixtrans-60.8-45.9177.2174.7-109.7000111.4P298 E299 A304 H305 N306P298-Y302 PolarHBondContact O-N 3.08Å; E299-Y302 PolarHBondContact O-N 2.79Å; Y302-A304 PolarHBondContact O-N 3.21Å; Y302-H305 PolarHBondContact O-N 3.38Å; Y302-N306 VanDerWaalsContact O-CB 3.29Å; Y302-N306 WeakPolarHBondContact O-CB 3.36Å; Y302-N306 PolarHBondContact O-N 2.78Å
303L96Very high94.6Very high0 Ų072.8 Ų72.80%036%0.359CS..Hα-helixtrans-59.1-48176.2-177.868.1000111.4M284 F287 L291 E299 H305 N306 L307 V320M284-L303 HydrophobicContact SD-CD1 4.19Å; F287-L303 HydrophobicContact CD1-CD1 4.06Å; F287-L303 HydrophobicContact CD1-CD2 3.52Å; F287-L303 HydrophobicContact CD1-CG 4.4Å; F287-L303 HydrophobicContact CE1-CD1 4.15Å; F287-L303 HydrophobicContact CE1-CD2 3.94Å; F287-L303 HydrophobicContact CG-CD2 4.46Å; L291-L303 HydrophobicContact CD1-CD2 3.87Å; E299-L303 WeakPolarHBondContact O-CB 3.25Å; E299-L303 PolarHBondContact O-N 3.07Å; L303-H305 PolarHBondContact O-N 2.89Å; L303-N306 PolarHBondContact O-N 3.26Å; L303-L307 HydrophobicContact CD1-CD1 4.08Å; L303-L307 HydrophobicContact CD1-CG 4.15Å; L303-L307 HydrophobicContact CG-CD1 4.03Å; L303-L307 HydrophobicContact CG-CG 4.4Å; L303-L307 WeakPolarHBondContact O-CG 3.39Å; L303-L307 PolarHBondContact O-N 3.41Å; L303-V320 HydrophobicContact CD2-CG1 3.85Å; L303-V320 HydrophobicContact CG-CG1 3.97Å
304A96.2Very high94.8Very high4 Ų472.4 Ų72.43%0.03335%0.348CS..Hα-helixtrans-61.3-42.8-179.100000112.5L300 S301 Y302 V308 V320 Y324L300-A304 WeakPolarHBondContact O-CB 3.37Å; L300-A304 PolarHBondContact O-N 2.98Å; S301-A304 PolarHBondContact O-N 3.46Å; Y302-A304 PolarHBondContact O-N 3.21Å; A304-V308 VanDerWaalsContact O-CG2 3.23Å; A304-V308 WeakPolarHBondContact O-CG2 3.38Å; A304-V308 PolarHBondContact O-N 3.49Å; A304-V320 HydrophobicContact CB-CG1 4.11Å; A304-Y324 HydrophobicContact CB-CG 4.1Å
305H95.8Very high94.8Very high106 Ų10669 Ų6949%0.49134%0.335SS..Hα-helixtrans-67.5-44.6177.1-74.9-63.7000112.3S301 Y302 L303 L307 V308 E309S301-H305 PolarHBondContact O-CD2 2.92Å; S301-H305 PolarHBondContact O-N 3.48Å; Y302-H305 PolarHBondContact O-N 3.38Å; L303-H305 PolarHBondContact O-N 2.89Å; H305-L307 PolarHBondContact O-N 3.46Å; H305-V308 PolarHBondContact O-N 3.4Å; H305-E309 PolarHBondContact O-N 2.98Å; H305-E309 VanDerWaalsContact O-N 3.16Å
306N96Very high94.9Very high28 Ų2867.1 Ų67.115%0.1532%0.318CS..Hα-helixtrans-59.8-48178.4-175.5-33.6000111.4R274 Y302 L303 V308 E309 I310R274-N306 PolarHBondContact NH2-ND2 3.3Å; Y302-N306 VanDerWaalsContact O-CB 3.29Å; Y302-N306 WeakPolarHBondContact O-CB 3.36Å; Y302-N306 PolarHBondContact O-N 2.78Å; L303-N306 PolarHBondContact O-N 3.26Å; N306-V308 VanDerWaalsContact C-N 3.27Å; N306-V308 PolarHBondContact O-N 2.91Å; N306-E309 WeakPolarHBondContact O-CB 3.43Å; N306-E309 PolarHBondContact O-N 3.35Å; N306-I310 WeakPolarHBondContact O-CG1 3.49Å; N306-I310 PolarHBondContact O-N 2.94Å; N306-I310 VanDerWaalsContact O-N 3.14Å; N306-I310 WeakPolarHBondContact OD1-CD1 2.98Å
307L95.7Very high95Very high4 Ų465.5 Ų65.52%0.02131%0.31CS..Hα-helixtrans-64.5-30.7179.4-65.6179.1000113.4I281 M284 L303 H305 E309 I310 D311 T317 V320I281-L307 HydrophobicContact CG1-CD2 4.08Å; M284-L307 HydrophobicContact CB-CD1 3.83Å; M284-L307 HydrophobicContact CG-CD1 4.32Å; M284-L307 HydrophobicContact CG-CD2 4.16Å; L303-L307 HydrophobicContact CD1-CD1 4.08Å; L303-L307 HydrophobicContact CD1-CG 4.15Å; L303-L307 HydrophobicContact CG-CD1 4.03Å; L303-L307 HydrophobicContact CG-CG 4.4Å; L303-L307 WeakPolarHBondContact O-CG 3.39Å; L303-L307 PolarHBondContact O-N 3.41Å; H305-L307 PolarHBondContact O-N 3.46Å; L307-E309 VanDerWaalsContact C-N 3.34Å; L307-I310 HydrophobicContact CD2-CD1 4.32Å; L307-I310 PolarHBondContact O-N 3.36Å; L307-D311 CarbonylContact O-C 3.59Å; L307-D311 PolarHBondContact O-N 2.85Å; L307-T317 HydrophobicContact CB-CG2 3.8Å; L307-V320 HydrophobicContact CD1-CB 3.97Å; L307-V320 HydrophobicContact CD1-CG1 4.02Å; L307-V320 HydrophobicContact CD1-CG2 3.57Å
308V95.9Very high95.1Very high56 Ų5659.7 Ų59.734%0.33929%0.285SS..Hα-helixtrans-67.6-35.5174169.60000111.8A304 H305 N306 I310 T317 I321A304-V308 VanDerWaalsContact O-CG2 3.23Å; A304-V308 WeakPolarHBondContact O-CG2 3.38Å; A304-V308 PolarHBondContact O-N 3.49Å; H305-V308 PolarHBondContact O-N 3.4Å; N306-V308 VanDerWaalsContact C-N 3.27Å; N306-V308 PolarHBondContact O-N 2.91Å; V308-I310 VanDerWaalsContact C-N 3.34Å; V308-T317 HydrophobicContact CG2-CG2 4.21Å; V308-I321 HydrophobicContact CG2-CD1 3.41Å; V308-I321 VanDerWaalsContact CG2-CD1 3.41Å; V308-I321 HydrophobicContact CG2-CG1 4Å
309E95.8Very high95.2Very high164 Ų16454.9 Ų54.977%0.76625%0.254SS*.Hα-helixtrans-69-33.1175.8-69.6173.8-175.500112H305 N306 L307H305-E309 PolarHBondContact O-N 2.98Å; H305-E309 VanDerWaalsContact O-N 3.16Å; N306-E309 WeakPolarHBondContact O-CB 3.43Å; N306-E309 PolarHBondContact O-N 3.35Å; L307-E309 VanDerWaalsContact C-N 3.34Å
310I95.5Very high95.3Very high54 Ų5450.9 Ų50.928%0.27724%0.236SC..Hα-helixtrans-77.2-63.2178.4-55.7166.5000111.1Y279 I281 N306 L307 V308Y279-I310 HydrophobicContact CD1-CD1 4.04Å; Y279-I310 HydrophobicContact CD1-CG1 3.99Å; I281-I310 HydrophobicContact CD1-CB 4.24Å; I281-I310 HydrophobicContact CD1-CG2 3.8Å; I281-I310 HydrophobicContact CG1-CG2 4.25Å; N306-I310 WeakPolarHBondContact O-CG1 3.49Å; N306-I310 PolarHBondContact O-N 2.94Å; N306-I310 VanDerWaalsContact O-N 3.14Å; N306-I310 WeakPolarHBondContact OD1-CD1 2.98Å; L307-I310 HydrophobicContact CD2-CD1 4.32Å; L307-I310 PolarHBondContact O-N 3.36Å; V308-I310 VanDerWaalsContact C-N 3.34Å
311D94.7Very high95.3Very high63 Ų6351.4 Ų51.434%0.33724%0.238SC..  trans-154.2110.9177.7-175.61000111.2I281 L307 Y313 T317I281-D311 HydrophobicContact CD1-CB 3.6Å; L307-D311 CarbonylContact O-C 3.59Å; L307-D311 PolarHBondContact O-N 2.85Å; D311-Y313 PolarHBondContact OD1-N 3.06Å; D311-T317 WeakPolarHBondContact O-CB 3.38Å; D311-T317 WeakPolarHBondContact O-CG2 3.48Å; D311-T317 PolarHBondContact O-OG1 3.28Å
312K93.8Very high95.2Very high98 Ų9850 Ų5043%0.42623%0.228SC..THydrogen-bonded Turntrans-73.2-31179.3-175.4179.8-179.6-179.60113.5R314K312-R314 VanDerWaalsContact C-N 3.27Å; K312-R314 PolarHBondContact O-N 3.42Å
313Y90.8Very high95.2Very high173 Ų17343.4 Ų43.468%0.67820%0.203SC*.THydrogen-bonded Turntrans-98.637.8-169-64.5-70.1000112.4D311 L344D311-Y313 PolarHBondContact OD1-N 3.06Å; Y313-L344 WeakPolarHBondContact O-CD1 3.46Å
314R94.1Very high95.3Very high80 Ų8044.8 Ų44.830%0.30221%0.208SC..  trans-114.3146.3178.8-170.2140.1-175.1-175.5-3.1111.2I281 D282 K312 E316 T317 C318I281-R314 HydrophobicContact CG2-CB 4.49Å; I281-R314 HydrophobicContact CG2-CG 3.92Å; D282-R314 IonicContact OD1-CZ 3.78Å; D282-R314 IonicContact OD1-NH1 2.89Å; D282-R314 IonicContact OD1-NH2 2.76Å; D282-R314 PolarHBondContact OD1-NH2 3.17Å; K312-R314 VanDerWaalsContact C-N 3.27Å; K312-R314 PolarHBondContact O-N 3.42Å; R314-E316 WeakPolarHBondContact CG-OE2 3.41Å; R314-E316 IonicContact CZ-OE1 2.72Å; R314-E316 IonicContact NE-OE1 3.68Å; R314-E316 PolarHBondContact NE-OE1 3.39Å; R314-E316 IonicContact NE-OE2 2.84Å; R314-E316 PolarHBondContact NE-OE2 3.45Å; R314-E316 IonicContact NH2-OE1 3.68Å; R314-E316 PolarHBondContact NH2-OE1 3.5Å; R314-T317 PolarHBondContact O-N 2.9Å; R314-C318 PolarHBondContact O-N 3Å; R314-C318 PolarHBondContact O-SG 3.07Å
315V93.5Very high95.3Very high20 Ų2046.9 Ų46.912%0.12122%0.215CC..Hα-helixtrans-62.7-48.3-174.8-178.10000109.9T317 C318 C319 A341 L344 N345 C348V315-T317 PolarHBondContact O-N 3.42Å; V315-C318 PolarHBondContact O-N 2.9Å; V315-C319 PolarHBondContact O-N 3.02Å; V315-C319 PolarHBondContact O-SG 3.01Å; V315-C319 VanDerWaalsContact O-SG 3.36Å; V315-A341 HydrophobicContact CG1-CB 4.12Å; V315-L344 HydrophobicContact CG2-CB 3.75Å; V315-N345 HydrophobicContact CG1-CB 4.4Å; V315-N345 HydrophobicContact CG2-CB 3.47Å; V315-N345 VanDerWaalsContact CG2-CB 3.47Å; V315-C348 HydrophobicContact CG1-CB 3.76Å; V315-C348 VanDerWaalsContact CG1-SG 3.56Å
316E94.6Very high95.3Very high39 Ų3942 Ų4218%0.18219%0.193CC..Hα-helixtrans-59.8-46.6-179.7-57.391.413700110.7I281 R314 C318 C319 V320I281-E316 HydrophobicContact CG2-CB 3.83Å; R314-E316 WeakPolarHBondContact CG-OE2 3.41Å; R314-E316 IonicContact CZ-OE1 2.72Å; R314-E316 IonicContact NE-OE1 3.68Å; R314-E316 PolarHBondContact NE-OE1 3.39Å; R314-E316 IonicContact NE-OE2 2.84Å; R314-E316 PolarHBondContact NE-OE2 3.45Å; R314-E316 IonicContact NH2-OE1 3.68Å; R314-E316 PolarHBondContact NH2-OE1 3.5Å; E316-C318 PolarHBondContact O-N 3.3Å; E316-C319 WeakPolarHBondContact O-CB 3.37Å; E316-C319 PolarHBondContact O-N 3.3Å; E316-V320 VanDerWaalsContact O-CG2 3.23Å; E316-V320 WeakPolarHBondContact O-CG2 3.44Å; E316-V320 PolarHBondContact O-N 3.26Å
317T96Very high95.2Very high0 Ų041.6 Ų41.60%019%0.191CC..Hα-helixtrans-59.3-44.9175.2-55.10000111.6L307 V308 D311 R314 V315 C319 V320 I321L307-T317 HydrophobicContact CB-CG2 3.8Å; V308-T317 HydrophobicContact CG2-CG2 4.21Å; D311-T317 WeakPolarHBondContact O-CB 3.38Å; D311-T317 WeakPolarHBondContact O-CG2 3.48Å; D311-T317 PolarHBondContact O-OG1 3.28Å; R314-T317 PolarHBondContact O-N 2.9Å; V315-T317 PolarHBondContact O-N 3.42Å; T317-C319 VanDerWaalsContact C-N 3.33Å; T317-C319 PolarHBondContact O-N 2.85Å; T317-V320 PolarHBondContact O-N 3.35Å; T317-I321 HydrophobicContact CG2-CD1 3.96Å; T317-I321 HydrophobicContact CG2-CG1 4.49Å; T317-I321 VanDerWaalsContact O-CG1 3.26Å; T317-I321 WeakPolarHBondContact O-CG1 3.11Å; T317-I321 PolarHBondContact O-N 3.35Å
318C95.8Very high95.1Very high6 Ų647.8 Ų47.84%0.04121%0.214CC..Hα-helixtrans-63.2-39.1177.4-690000112.1R314 V315 E316 I321 G322 A341R314-C318 PolarHBondContact O-N 3Å; R314-C318 PolarHBondContact O-SG 3.07Å; V315-C318 PolarHBondContact O-N 2.9Å; E316-C318 PolarHBondContact O-N 3.3Å; C318-I321 PolarHBondContact O-N 3.45Å; C318-G322 PolarHBondContact O-N 2.85Å; C318-A341 HydrophobicContact CB-CB 3.66Å
319C95.7Very high95Very high4 Ų449.2 Ų49.23%0.02723%0.226CC..Hα-helixtrans-63.2-43.6174-69.50000112D285 V315 E316 T317 I321 G322 N323 F338D285-C319 HydrophobicContact CB-CB 4.15Å; V315-C319 PolarHBondContact O-N 3.02Å; V315-C319 PolarHBondContact O-SG 3.01Å; V315-C319 VanDerWaalsContact O-SG 3.36Å; E316-C319 WeakPolarHBondContact O-CB 3.37Å; E316-C319 PolarHBondContact O-N 3.3Å; T317-C319 VanDerWaalsContact C-N 3.33Å; T317-C319 PolarHBondContact O-N 2.85Å; C319-I321 PolarHBondContact O-N 2.75Å; C319-G322 WeakPolarHBondContact O-CA 3.38Å; C319-G322 PolarHBondContact O-N 3.06Å; C319-N323 PolarHBondContact O-N 3.21Å; C319-F338 HydrophobicContact CB-CE1 4.4Å; C319-F338 WeakPolarHBondContact O-CE1 3.35Å
320V96.6Very high95Very high0 Ų044.2 Ų44.20%020%0.203CC..Hα-helixtrans-61.6-44.2177.1176.60000111.3M284 L300 L303 A304 L307 E316 T317 G322 N323 Y324M284-V320 HydrophobicContact CB-CG2 4.32Å; M284-V320 WeakPolarHBondContact O-CG2 3.37Å; L300-V320 HydrophobicContact CD1-CG1 4.21Å; L303-V320 HydrophobicContact CD2-CG1 3.85Å; L303-V320 HydrophobicContact CG-CG1 3.97Å; A304-V320 HydrophobicContact CB-CG1 4.11Å; L307-V320 HydrophobicContact CD1-CB 3.97Å; L307-V320 HydrophobicContact CD1-CG1 4.02Å; L307-V320 HydrophobicContact CD1-CG2 3.57Å; E316-V320 VanDerWaalsContact O-CG2 3.23Å; E316-V320 WeakPolarHBondContact O-CG2 3.44Å; E316-V320 PolarHBondContact O-N 3.26Å; T317-V320 PolarHBondContact O-N 3.35Å; V320-G322 VanDerWaalsContact C-N 3.3Å; V320-G322 PolarHBondContact O-N 2.94Å; V320-N323 PolarHBondContact O-N 3.14Å; V320-Y324 WeakPolarHBondContact O-CB 3.46Å; V320-Y324 PolarHBondContact O-N 3.35Å
321I96.1Very high95.1Very high10 Ų1043.4 Ų43.45%0.05120%0.198CC..Hα-helixtrans-63.8-39176.1-63.4164.5000110.8V308 T317 C318 C319 Y324 Y325 Y337V308-I321 HydrophobicContact CG2-CD1 3.41Å; V308-I321 VanDerWaalsContact CG2-CD1 3.41Å; V308-I321 HydrophobicContact CG2-CG1 4Å; T317-I321 HydrophobicContact CG2-CD1 3.96Å; T317-I321 HydrophobicContact CG2-CG1 4.49Å; T317-I321 VanDerWaalsContact O-CG1 3.26Å; T317-I321 WeakPolarHBondContact O-CG1 3.11Å; T317-I321 PolarHBondContact O-N 3.35Å; C318-I321 PolarHBondContact O-N 3.45Å; C319-I321 PolarHBondContact O-N 2.75Å; I321-Y324 WeakPolarHBondContact O-CB 3.23Å; I321-Y324 PolarHBondContact O-N 2.89Å; I321-Y325 HydrophobicContact CG2-CD2 3.57Å; I321-Y325 HydrophobicContact CG2-CE2 3.4Å; I321-Y325 VanDerWaalsContact CG2-CE2 3.4Å; I321-Y325 VanDerWaalsContact O-CD2 3.25Å; I321-Y325 WeakPolarHBondContact O-CD2 3.4Å; I321-Y325 PolarHBondContact O-N 3.26Å; I321-Y337 HydrophobicContact CB-CD1 4.11Å; I321-Y337 HydrophobicContact CB-CE1 4.45Å; I321-Y337 HydrophobicContact CB-CG 4.26Å; I321-Y337 HydrophobicContact CD1-CD1 4.25Å; I321-Y337 HydrophobicContact CD1-CE1 4.05Å; I321-Y337 HydrophobicContact CG2-CD1 3.69Å; I321-Y337 HydrophobicContact CG2-CD2 3.67Å; I321-Y337 HydrophobicContact CG2-CE1 3.75Å; I321-Y337 HydrophobicContact CG2-CE2 3.76Å; I321-Y337 HydrophobicContact CG2-CG 3.66Å
322G95.5Very high95.1Very high0 Ų048.1 Ų48.10%022%0.218CC..Hα-helixtrans-56.5-51.5173.300000111.6C318 C319 V320 Y324 Y325 S326 A334C318-G322 PolarHBondContact O-N 2.85Å; C319-G322 WeakPolarHBondContact O-CA 3.38Å; C319-G322 PolarHBondContact O-N 3.06Å; V320-G322 VanDerWaalsContact C-N 3.3Å; V320-G322 PolarHBondContact O-N 2.94Å; G322-Y324 VanDerWaalsContact C-N 3.32Å; G322-Y324 PolarHBondContact O-N 2.96Å; G322-Y325 PolarHBondContact O-N 3.19Å; G322-S326 WeakPolarHBondContact O-CB 3.38Å; G322-S326 PolarHBondContact O-N 3.42Å; G322-A334 WeakPolarHBondContact O-CB 3.43Å
323N96Very high95.2Very high2 Ų248.2 Ų48.21%0.01122%0.218CC..Hα-helixtrans-60.4-39.8175.9-75.5-16000112.5S288 N289 L300 C319 V320 S326 L327 F338S288-N323 PolarHBondContact OG-ND2 3.25Å; N289-N323 PolarHBondContact OD1-ND2 3.46Å; L300-N323 HydrophobicContact CD2-CB 4.42Å; C319-N323 PolarHBondContact O-N 3.21Å; V320-N323 PolarHBondContact O-N 3.14Å; N323-S326 PolarHBondContact O-N 3.48Å; N323-L327 WeakPolarHBondContact O-CB 3.42Å; N323-L327 PolarHBondContact O-N 3.02Å; N323-F338 WeakPolarHBondContact OD1-CZ 3.34Å
324Y96.5Very high95.4Very high30 Ų3040 Ų4012%0.11819%0.186CC..Hα-helixtrans-60.4-47.3175166.4-101.5000112.3S301 A304 V320 I321 G322 L327 R328S301-Y324 VanDerWaalsContact OG-CE2 3.24Å; S301-Y324 WeakPolarHBondContact OG-CE2 3.05Å; A304-Y324 HydrophobicContact CB-CG 4.1Å; V320-Y324 WeakPolarHBondContact O-CB 3.46Å; V320-Y324 PolarHBondContact O-N 3.35Å; I321-Y324 WeakPolarHBondContact O-CB 3.23Å; I321-Y324 PolarHBondContact O-N 2.89Å; G322-Y324 VanDerWaalsContact C-N 3.32Å; G322-Y324 PolarHBondContact O-N 2.96Å; Y324-L327 PolarHBondContact O-N 3.32Å; Y324-R328 HydrophobicContact CE2-CG 4.43Å; Y324-R328 VanDerWaalsContact CZ-CD 3.46Å; Y324-R328 WeakPolarHBondContact O-CG 3.5Å; Y324-R328 PolarHBondContact O-N 3.46Å; Y324-R328 WeakPolarHBondContact OH-CD 3.27Å; Y324-R328 PolarHBondContact OH-NH1 3.04Å
325Y96.3Very high95.4Very high47 Ų4736.4 Ų36.418%0.18417%0.174CC..Hα-helixtrans-69.5-35.6177.4-79.1-64.2000112.7I321 G322 R328 S329 Q330 K333 Y337I321-Y325 HydrophobicContact CG2-CD2 3.57Å; I321-Y325 HydrophobicContact CG2-CE2 3.4Å; I321-Y325 VanDerWaalsContact CG2-CE2 3.4Å; I321-Y325 VanDerWaalsContact O-CD2 3.25Å; I321-Y325 WeakPolarHBondContact O-CD2 3.4Å; I321-Y325 PolarHBondContact O-N 3.26Å; G322-Y325 PolarHBondContact O-N 3.19Å; Y325-R328 CarbonylContact O-C 3.51Å; Y325-R328 WeakPolarHBondContact O-CA 3.4Å; Y325-R328 PolarHBondContact O-N 3.25Å; Y325-R328 VanDerWaalsContact O-N 3.14Å; Y325-S329 PolarHBondContact O-N 2.94Å; Y325-Q330 HydrophobicContact CD1-CB 4.2Å; Y325-Q330 PolarHBondContact O-N 2.96Å; Y325-K333 HydrophobicContact CD1-CB 4.11Å; Y325-K333 HydrophobicContact CD1-CD 3.98Å; Y325-K333 HydrophobicContact CD2-CB 4.25Å; Y325-K333 HydrophobicContact CE1-CD 3.8Å; Y325-K333 HydrophobicContact CG-CB 3.95Å; Y325-Y337 AromaticContact CD2-CD2 3.76Å; Y325-Y337 HydrophobicContact CD2-CD2 3.76Å; Y325-Y337 AromaticContact CD2-CE2 3.86Å; Y325-Y337 HydrophobicContact CD2-CE2 3.86Å; Y325-Y337 AromaticContact CE2-CD2 3.79Å; Y325-Y337 HydrophobicContact CE2-CD2 3.79Å; Y325-Y337 AromaticContact CE2-CE2 3.38Å; Y325-Y337 HydrophobicContact CE2-CE2 3.38Å
326S95.6Very high95.5Very high3 Ų339 Ų392%0.02119%0.186CC..Hα-helixtrans-59.2-46.5173.8-1780000111.2Y292 G322 N323 R328 S329 E358Y292-S326 WeakPolarHBondContact CE2-OG 3.47Å; Y292-S326 PolarHBondContact OH-OG 2.94Å; G322-S326 WeakPolarHBondContact O-CB 3.38Å; G322-S326 PolarHBondContact O-N 3.42Å; N323-S326 PolarHBondContact O-N 3.48Å; S326-R328 PolarHBondContact O-N 3Å; S326-S329 WeakPolarHBondContact O-CA 3.29Å; S326-S329 PolarHBondContact O-N 3.15Å; S326-E358 WeakPolarHBondContact CB-OE1 3.29Å; S326-E358 VanDerWaalsContact OG-CD 3.31Å; S326-E358 PolarHBondContact OG-OE1 3.27Å; S326-E358 PolarHBondContact OG-OE2 2.83Å
327L94.5Very high95.5Very high21 Ų2139 Ų3911%0.1119%0.185CC..Hα-helixtrans-66.5-20.4177.3-165.663.2000113.3Y292 K297 L300 N323 Y324 S329Y292-L327 HydrophobicContact CD2-CB 3.92Å; Y292-L327 HydrophobicContact CD2-CD1 4.01Å; Y292-L327 HydrophobicContact CD2-CG 4.45Å; Y292-L327 HydrophobicContact CE2-CB 4.03Å; Y292-L327 HydrophobicContact CE2-CD1 4.07Å; K297-L327 HydrophobicContact CB-CD2 4.25Å; K297-L327 HydrophobicContact CG-CD2 3.57Å; K297-L327 HydrophobicContact CG-CG 3.87Å; L300-L327 HydrophobicContact CD2-CB 4.14Å; L300-L327 HydrophobicContact CD2-CD2 3.64Å; N323-L327 WeakPolarHBondContact O-CB 3.42Å; N323-L327 PolarHBondContact O-N 3.02Å; Y324-L327 PolarHBondContact O-N 3.32Å; L327-S329 VanDerWaalsContact C-N 3.32Å
328R94.4Very high95.5Very high133 Ų13339 Ų3950%0.50219%0.185SC..THydrogen-bonded Turntrans-88.95.6170.5-69.2-171.267.1177.42.1113.5Y324 Y325 S326 Q330Y324-R328 HydrophobicContact CE2-CG 4.43Å; Y324-R328 VanDerWaalsContact CZ-CD 3.46Å; Y324-R328 WeakPolarHBondContact O-CG 3.5Å; Y324-R328 PolarHBondContact O-N 3.46Å; Y324-R328 WeakPolarHBondContact OH-CD 3.27Å; Y324-R328 PolarHBondContact OH-NH1 3.04Å; Y325-R328 CarbonylContact O-C 3.51Å; Y325-R328 WeakPolarHBondContact O-CA 3.4Å; Y325-R328 PolarHBondContact O-N 3.25Å; Y325-R328 VanDerWaalsContact O-N 3.14Å; S326-R328 PolarHBondContact O-N 3Å; R328-Q330 PolarHBondContact O-N 3.37Å
329S93.9Very high95.3Very high86 Ų8642.9 Ų42.960%0.60120%0.203SC*.THydrogen-bonded Turntrans59.225.8-176.6-48.70000114Y325 S326 L327 H331Y325-S329 PolarHBondContact O-N 2.94Å; S326-S329 WeakPolarHBondContact O-CA 3.29Å; S326-S329 PolarHBondContact O-N 3.15Å; L327-S329 VanDerWaalsContact C-N 3.32Å; S329-H331 PolarHBondContact O-N 3.34Å
330Q96Very high95.1Very high60 Ų6047.6 Ų47.628%0.2822%0.22SC..  trans-98.164.5174.3-66.6-17820.100109.8Y325 R328 E332 K333 A334Y325-Q330 HydrophobicContact CD1-CB 4.2Å; Y325-Q330 PolarHBondContact O-N 2.96Å; R328-Q330 PolarHBondContact O-N 3.37Å; Q330-E332 VanDerWaalsContact C-N 3.31Å; Q330-E332 PolarHBondContact O-N 3.04Å; Q330-K333 HydrophobicContact CB-CB 4.47Å; Q330-K333 PolarHBondContact O-N 2.99Å; Q330-K333 VanDerWaalsContact O-N 3.08Å; Q330-A334 PolarHBondContact O-N 3.22Å
331H96.2Very high94.9Very high37 Ų3747.6 Ų47.617%0.17122%0.22CC..Hα-helixtrans-59.1-35.1-170.5-57.1-63.6000114S329 K333 A334 A335 E358 M362S329-H331 PolarHBondContact O-N 3.34Å; H331-K333 PolarHBondContact O-N 3.26Å; H331-A334 PolarHBondContact O-N 3.38Å; H331-A335 WeakPolarHBondContact O-CB 3.43Å; H331-A335 PolarHBondContact O-N 3.45Å; H331-E358 WeakPolarHBondContact CA-OE2 3.27Å; H331-E358 IonicContact CE1-OE2 2.86Å; H331-E358 IonicContact CG-OE2 3.63Å; H331-E358 IonicContact ND1-OE2 2.99Å; H331-E358 PolarHBondContact ND1-OE2 3.36Å; H331-M362 HydrophobicContact CB-CG 3.51Å; H331-M362 HydrophobicContact CB-SD 3.98Å
332E94.6Very high94.5Very high161 Ų16147.8 Ų47.875%0.75222%0.221SC*.Hα-helixtrans-61.6-42.3176.1-65.4178.1175.700112.2Q330 L336 M362Q330-E332 VanDerWaalsContact C-N 3.31Å; Q330-E332 PolarHBondContact O-N 3.04Å; E332-L336 WeakPolarHBondContact O-CB 3.41Å; E332-L336 PolarHBondContact O-N 2.99Å; E332-M362 HydrophobicContact CB-SD 4.39Å; E332-M362 HydrophobicContact CG-SD 3.74Å
333K95.6Very high94.1Very high100 Ų10054.9 Ų54.944%0.43525%0.252SS..Hα-helixtrans-71.2-39.7177-68.2-174.8-169.8165.10110.9Y325 Q330 H331 L336 Y337Y325-K333 HydrophobicContact CD1-CB 4.11Å; Y325-K333 HydrophobicContact CD1-CD 3.98Å; Y325-K333 HydrophobicContact CD2-CB 4.25Å; Y325-K333 HydrophobicContact CE1-CD 3.8Å; Y325-K333 HydrophobicContact CG-CB 3.95Å; Q330-K333 HydrophobicContact CB-CB 4.47Å; Q330-K333 PolarHBondContact O-N 2.99Å; Q330-K333 VanDerWaalsContact O-N 3.08Å; H331-K333 PolarHBondContact O-N 3.26Å; K333-L336 WeakPolarHBondContact O-CB 3.46Å; K333-L336 PolarHBondContact O-N 3.06Å; K333-Y337 VanDerWaalsContact O-CD2 3.28Å; K333-Y337 WeakPolarHBondContact O-CD2 3.49Å; K333-Y337 PolarHBondContact O-N 3.32Å
334A96.1Very high93.7Very high0 Ų058.7 Ų58.70%027%0.272CS..Hα-helixtrans-58.2-50.7175.900000110.9G322 Q330 H331 L336 Y337 F338 E358G322-A334 WeakPolarHBondContact O-CB 3.43Å; Q330-A334 PolarHBondContact O-N 3.22Å; H331-A334 PolarHBondContact O-N 3.38Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 2.97Å; A334-Y337 PolarHBondContact O-N 3.48Å; A334-Y337 VanDerWaalsContact O-N 3.09Å; A334-F338 HydrophobicContact CB-CE2 4.22Å; A334-F338 WeakPolarHBondContact O-CD2 3.4Å; A334-F338 PolarHBondContact O-N 3.18Å; A334-E358 HydrophobicContact CB-CG 3.8Å
335A94.9Very high93.1Very high5 Ų560.5 Ų60.54%0.04128%0.284CS..Hα-helixtrans-57.5-40.7175.300000112.4H331 Y337 F338 Q339 E358 M362H331-A335 WeakPolarHBondContact O-CB 3.43Å; H331-A335 PolarHBondContact O-N 3.45Å; A335-Y337 PolarHBondContact O-N 3.33Å; A335-F338 PolarHBondContact O-N 3.28Å; A335-Q339 WeakPolarHBondContact O-CB 3.39Å; A335-Q339 PolarHBondContact O-N 3.45Å; A335-E358 HydrophobicContact CB-CB 4.22Å; A335-M362 HydrophobicContact CB-CE 3.86Å
336L94.6Very high92.5Very high74 Ų7461.4 Ų61.439%0.38730%0.295SS..Hα-helixtrans-61.7-41.6175.2-179.166.8000112.5E332 K333 A334 Q339 R340E332-L336 WeakPolarHBondContact O-CB 3.41Å; E332-L336 PolarHBondContact O-N 2.99Å; K333-L336 WeakPolarHBondContact O-CB 3.46Å; K333-L336 PolarHBondContact O-N 3.06Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 2.97Å; L336-Q339 PolarHBondContact O-N 3.34Å; L336-R340 WeakPolarHBondContact O-CG 3.35Å; L336-R340 PolarHBondContact O-N 3Å
337Y94.9Very high91.9Very high41 Ų4167.6 Ų67.616%0.16132%0.318CS..Hα-helixtrans-72.1-37.3178-84.2-78.9000112.5I321 Y325 K333 A334 A335 Q339 R340 A341I321-Y337 HydrophobicContact CB-CD1 4.11Å; I321-Y337 HydrophobicContact CB-CE1 4.45Å; I321-Y337 HydrophobicContact CB-CG 4.26Å; I321-Y337 HydrophobicContact CD1-CD1 4.25Å; I321-Y337 HydrophobicContact CD1-CE1 4.05Å; I321-Y337 HydrophobicContact CG2-CD1 3.69Å; I321-Y337 HydrophobicContact CG2-CD2 3.67Å; I321-Y337 HydrophobicContact CG2-CE1 3.75Å; I321-Y337 HydrophobicContact CG2-CE2 3.76Å; I321-Y337 HydrophobicContact CG2-CG 3.66Å; Y325-Y337 AromaticContact CD2-CD2 3.76Å; Y325-Y337 HydrophobicContact CD2-CD2 3.76Å; Y325-Y337 AromaticContact CD2-CE2 3.86Å; Y325-Y337 HydrophobicContact CD2-CE2 3.86Å; Y325-Y337 AromaticContact CE2-CD2 3.79Å; Y325-Y337 HydrophobicContact CE2-CD2 3.79Å; Y325-Y337 AromaticContact CE2-CE2 3.38Å; Y325-Y337 HydrophobicContact CE2-CE2 3.38Å; K333-Y337 VanDerWaalsContact O-CD2 3.28Å; K333-Y337 WeakPolarHBondContact O-CD2 3.49Å; K333-Y337 PolarHBondContact O-N 3.32Å; A334-Y337 PolarHBondContact O-N 3.48Å; A334-Y337 VanDerWaalsContact O-N 3.09Å; A335-Y337 PolarHBondContact O-N 3.33Å; Y337-Q339 VanDerWaalsContact C-N 3.33Å; Y337-R340 WeakPolarHBondContact O-CB 3.26Å; Y337-R340 PolarHBondContact O-N 3.2Å; Y337-A341 PolarHBondContact O-N 2.86Å
338F94.9Very high91.6Very high0 Ų067.4 Ų67.40%032%0.318CS..Hα-helixtrans-63.5-40.3170.4-64.4-49.5000111.6C319 N323 A334 A335 R340 A341 L342 L354 M355 E358C319-F338 HydrophobicContact CB-CE1 4.4Å; C319-F338 WeakPolarHBondContact O-CE1 3.35Å; N323-F338 WeakPolarHBondContact OD1-CZ 3.34Å; A334-F338 HydrophobicContact CB-CE2 4.22Å; A334-F338 WeakPolarHBondContact O-CD2 3.4Å; A334-F338 PolarHBondContact O-N 3.18Å; A335-F338 PolarHBondContact O-N 3.28Å; F338-R340 VanDerWaalsContact C-N 3.29Å; F338-R340 PolarHBondContact O-N 3.36Å; F338-A341 WeakPolarHBondContact O-CB 3.15Å; F338-A341 PolarHBondContact O-N 3.16Å; F338-A341 VanDerWaalsContact O-N 3.14Å; F338-L342 WeakPolarHBondContact O-CG 3.47Å; F338-L342 PolarHBondContact O-N 3.13Å; F338-L354 HydrophobicContact CD1-CB 4.19Å; F338-L354 HydrophobicContact CD2-CB 4.2Å; F338-L354 HydrophobicContact CE1-CB 3.78Å; F338-L354 HydrophobicContact CE1-CD1 3.68Å; F338-L354 HydrophobicContact CE1-CG 4.38Å; F338-L354 HydrophobicContact CE2-CB 3.79Å; F338-L354 HydrophobicContact CG-CB 4.4Å; F338-L354 HydrophobicContact CZ-CB 3.57Å; F338-L354 HydrophobicContact CZ-CD1 3.92Å; F338-L354 HydrophobicContact CZ-CG 4.28Å; F338-M355 HydrophobicContact CB-CB 3.87Å; F338-M355 HydrophobicContact CB-CG 4.32Å; F338-M355 HydrophobicContact CD2-CB 4.44Å; F338-M355 HydrophobicContact CG-CB 4.46Å; F338-E358 HydrophobicContact CD2-CG 3.84Å; F338-E358 HydrophobicContact CE2-CG 3.57Å
339Q91.9Very high91.2Very high87 Ų8762.6 Ų62.641%0.40730%0.302SS..Hα-helixtrans-61.9-37.2173.2-167.5-172.817.700112A335 L336 Y337 L342 K343 M355A335-Q339 WeakPolarHBondContact O-CB 3.39Å; A335-Q339 PolarHBondContact O-N 3.45Å; L336-Q339 PolarHBondContact O-N 3.34Å; Y337-Q339 VanDerWaalsContact C-N 3.33Å; Q339-L342 PolarHBondContact O-N 3.07Å; Q339-K343 WeakPolarHBondContact O-CG 3.42Å; Q339-K343 PolarHBondContact O-N 3.06Å; Q339-M355 HydrophobicContact CB-SD 4.34Å
340R91Very high90.9Very high103 Ų10359.3 Ų59.339%0.38928%0.282SS..Hα-helixtrans-64.9-42.2172.3-73.4173.1179.5179.6-0.3111.8L336 Y337 F338 L342 K343 L344L336-R340 WeakPolarHBondContact O-CG 3.35Å; L336-R340 PolarHBondContact O-N 3Å; Y337-R340 WeakPolarHBondContact O-CB 3.26Å; Y337-R340 PolarHBondContact O-N 3.2Å; F338-R340 VanDerWaalsContact C-N 3.29Å; F338-R340 PolarHBondContact O-N 3.36Å; R340-L342 PolarHBondContact O-N 2.9Å; R340-K343 WeakPolarHBondContact O-CB 3.41Å; R340-K343 PolarHBondContact O-N 3.32Å; R340-K343 VanDerWaalsContact O-N 3.13Å; R340-L344 PolarHBondContact O-N 3.01Å; R340-L344 VanDerWaalsContact O-N 3.13Å
341A92.3Very high90.8Very high0 Ų056.4 Ų56.40%027%0.268CS..Hα-helixtrans-57-42.1174.200000111V315 C318 Y337 F338 L344 N345 A351V315-A341 HydrophobicContact CG1-CB 4.12Å; C318-A341 HydrophobicContact CB-CB 3.66Å; Y337-A341 PolarHBondContact O-N 2.86Å; F338-A341 WeakPolarHBondContact O-CB 3.15Å; F338-A341 PolarHBondContact O-N 3.16Å; F338-A341 VanDerWaalsContact O-N 3.14Å; A341-L344 PolarHBondContact O-N 3.47Å; A341-N345 PolarHBondContact O-N 2.92Å; A341-A351 HydrophobicContact CB-CB 4.09Å
342L89.6Confident90.7Very high13 Ų1356.9 Ų56.97%0.06827%0.269CS..Hα-helixtrans-70.7-28177.4-66.6174.1000114F338 Q339 R340 L344 N345 P346 C348 A351 W352 M355F338-L342 WeakPolarHBondContact O-CG 3.47Å; F338-L342 PolarHBondContact O-N 3.13Å; Q339-L342 PolarHBondContact O-N 3.07Å; R340-L342 PolarHBondContact O-N 2.9Å; L342-L344 VanDerWaalsContact C-N 3.34Å; L342-N345 CarbonylContact O-C 3.5Å; L342-N345 VanDerWaalsContact O-C 3.26Å; L342-P346 VanDerWaalsContact O-CA 3.26Å; L342-P346 WeakPolarHBondContact O-CA 3.42Å; L342-P346 WeakPolarHBondContact O-CD 3.43Å; L342-P346 WeakPolarHBondContact O-CG 3.18Å; L342-P346 VanDerWaalsContact O-N 3.08Å; L342-C348 HydrophobicContact CD2-CB 4.39Å; L342-A351 HydrophobicContact CD2-CB 3.65Å; L342-A351 HydrophobicContact CG-CB 3.88Å; L342-W352 HydrophobicContact CD1-CD2 3.52Å; L342-W352 HydrophobicContact CD1-CE3 3.62Å; L342-W352 HydrophobicContact CD1-CG 4.09Å; L342-W352 HydrophobicContact CD1-CH2 3.96Å; L342-W352 HydrophobicContact CD1-CZ2 3.87Å; L342-W352 HydrophobicContact CD1-CZ3 3.86Å; L342-W352 VanDerWaalsContact CD2-CD1 3.44Å; L342-W352 HydrophobicContact CD2-CD2 3.88Å; L342-W352 HydrophobicContact CD2-CG 3.78Å; L342-W352 HydrophobicContact CD2-CZ2 4.26Å; L342-W352 VanDerWaalsContact CD2-NE1 3.32Å; L342-W352 HydrophobicContact CG-CD2 4.33Å; L342-W352 HydrophobicContact CG-CZ2 4.48Å; L342-M355 HydrophobicContact CD1-CE 3.53Å; L342-M355 HydrophobicContact CD1-SD 3.96Å
343K86.2Confident90.6Very high149 Ų14949.3 Ų49.365%0.64823%0.233SC*.Hα-helixtrans-68.1-35.9170.3-73.8178.1-179.8-174.10111.8Q339 R340Q339-K343 WeakPolarHBondContact O-CG 3.42Å; Q339-K343 PolarHBondContact O-N 3.06Å; R340-K343 WeakPolarHBondContact O-CB 3.41Å; R340-K343 PolarHBondContact O-N 3.32Å; R340-K343 VanDerWaalsContact O-N 3.13Å
344L86.9Confident90.6Very high82 Ų8245.8 Ų45.843%0.42922%0.219SC..Hα-helixtrans-74-42176.8-65.8171.1000111.7Y313 V315 R340 A341 L342Y313-L344 WeakPolarHBondContact O-CD1 3.46Å; V315-L344 HydrophobicContact CG2-CB 3.75Å; R340-L344 PolarHBondContact O-N 3.01Å; R340-L344 VanDerWaalsContact O-N 3.13Å; A341-L344 PolarHBondContact O-N 3.47Å; L342-L344 VanDerWaalsContact C-N 3.34Å
345N85Confident90.5Very high69 Ų6946.3 Ų46.337%0.36922%0.221SC..  trans-142.6102.2174.1-175.2-3.1000110.9V315 A341 L342 R347 C348V315-N345 HydrophobicContact CG1-CB 4.4Å; V315-N345 HydrophobicContact CG2-CB 3.47Å; V315-N345 VanDerWaalsContact CG2-CB 3.47Å; A341-N345 PolarHBondContact O-N 2.92Å; L342-N345 CarbonylContact O-C 3.5Å; L342-N345 VanDerWaalsContact O-C 3.26Å; N345-R347 PolarHBondContact O-N 3.38Å; N345-R347 VanDerWaalsContact O-N 3.12Å; N345-R347 WeakPolarHBondContact OD1-CB 3.48Å; N345-R347 PolarHBondContact OD1-N 3.03Å; N345-C348 HydrophobicContact CB-CB 4.45Å; N345-C348 WeakPolarHBondContact O-CB 3.02Å; N345-C348 PolarHBondContact O-N 3.21Å; N345-C348 VanDerWaalsContact O-N 3.1Å
346P83.8Confident90.5Very high65 Ų6546 Ų4642%0.42222%0.219SC..THydrogen-bonded Turntrans-62.6-20.3178.8-24.934.3000114L342 C348 W352L342-P346 VanDerWaalsContact O-CA 3.26Å; L342-P346 WeakPolarHBondContact O-CA 3.42Å; L342-P346 WeakPolarHBondContact O-CD 3.43Å; L342-P346 WeakPolarHBondContact O-CG 3.18Å; L342-P346 VanDerWaalsContact O-N 3.08Å; P346-C348 VanDerWaalsContact C-N 3.34Å; P346-W352 PolarHBondContact O-NE1 3.25Å
347R83.3Confident90.5Very high134 Ų13446 Ų4651%0.50622%0.217SC..THydrogen-bonded Turntrans-90.15.8179.8-60.8-174.5175.7-160.2-5.7113.1N345 L349 V378N345-R347 PolarHBondContact O-N 3.38Å; N345-R347 VanDerWaalsContact O-N 3.12Å; N345-R347 WeakPolarHBondContact OD1-CB 3.48Å; N345-R347 PolarHBondContact OD1-N 3.03Å; R347-L349 PolarHBondContact O-N 3.09Å; R347-V378 HydrophobicContact CB-CG1 4.37Å; R347-V378 WeakPolarHBondContact O-CG1 3.49Å
348C87.1Confident90.5Very high17 Ų1744.2 Ų44.212%0.11521%0.21CC..  trans-71100174.8-174.30000110.6V315 L342 N345 P346 A351 W352V315-C348 HydrophobicContact CG1-CB 3.76Å; V315-C348 VanDerWaalsContact CG1-SG 3.56Å; L342-C348 HydrophobicContact CD2-CB 4.39Å; N345-C348 HydrophobicContact CB-CB 4.45Å; N345-C348 WeakPolarHBondContact O-CB 3.02Å; N345-C348 PolarHBondContact O-N 3.21Å; N345-C348 VanDerWaalsContact O-N 3.1Å; P346-C348 VanDerWaalsContact C-N 3.34Å; C348-A351 HydrophobicContact CB-CB 4.12Å; C348-A351 PolarHBondContact O-N 2.96Å; C348-W352 PolarHBondContact O-N 3.4Å
349L86.3Confident90.6Very high32 Ų3246.7 Ų46.717%0.16822%0.22CC..Hα-helixtrans-61.9-44-177.3-173.769.5000113.2R347 A351 W352 T353 A375 V378 N379 D382R347-L349 PolarHBondContact O-N 3.09Å; L349-A351 VanDerWaalsContact C-N 3.32Å; L349-A351 PolarHBondContact O-N 2.76Å; L349-W352 PolarHBondContact O-N 2.77Å; L349-T353 PolarHBondContact O-N 3.21Å; L349-T353 PolarHBondContact O-OG1 3.05Å; L349-A375 HydrophobicContact CD1-CB 4.23Å; L349-A375 WeakPolarHBondContact CD1-O 3.36Å; L349-V378 HydrophobicContact CD1-CB 4.31Å; L349-V378 HydrophobicContact CD1-CG1 4.29Å; L349-N379 HydrophobicContact CD1-CB 3.7Å; L349-N379 HydrophobicContact CD2-CB 3.92Å; L349-N379 HydrophobicContact CG-CB 4.39Å; L349-D382 HydrophobicContact CD1-CB 4.08Å; L349-D382 HydrophobicContact CD2-CB 3.61Å; L349-D382 WeakPolarHBondContact CD2-OD2 3.24Å; L349-D382 HydrophobicContact CG-CB 4.05Å; L349-D382 WeakPolarHBondContact CG-OD2 3.16Å
350G88.8Confident90.7Very high16 Ų1643.8 Ų43.817%0.16521%0.207CC..Hα-helixtrans-62.4-37.6-179.800000112.7T353 L354G350-T353 PolarHBondContact O-N 2.88Å; G350-T353 PolarHBondContact O-OG1 3.46Å; G350-L354 WeakPolarHBondContact O-CB 3.49Å; G350-L354 VanDerWaalsContact O-CG 3.24Å; G350-L354 WeakPolarHBondContact O-CG 3.47Å; G350-L354 PolarHBondContact O-N 2.83Å
351A92.4Very high90.8Very high0 Ų044.6 Ų44.60%022%0.215CC..Hα-helixtrans-67.2-38.2178.700000112.4A341 L342 C348 L349 M355A341-A351 HydrophobicContact CB-CB 4.09Å; L342-A351 HydrophobicContact CD2-CB 3.65Å; L342-A351 HydrophobicContact CG-CB 3.88Å; C348-A351 HydrophobicContact CB-CB 4.12Å; C348-A351 PolarHBondContact O-N 2.96Å; L349-A351 VanDerWaalsContact C-N 3.32Å; L349-A351 PolarHBondContact O-N 2.76Å; A351-M355 WeakPolarHBondContact O-CB 3.48Å; A351-M355 PolarHBondContact O-N 3.4Å
352W93.9Very high90.9Very high47 Ų4747.5 Ų47.518%0.17823%0.229CC..Hα-helixtrans-64.4-43.1175.6-77.5113.2000112.4L342 P346 C348 L349 M355 G356 A371 H374 A375L342-W352 HydrophobicContact CD1-CD2 3.52Å; L342-W352 HydrophobicContact CD1-CE3 3.62Å; L342-W352 HydrophobicContact CD1-CG 4.09Å; L342-W352 HydrophobicContact CD1-CH2 3.96Å; L342-W352 HydrophobicContact CD1-CZ2 3.87Å; L342-W352 HydrophobicContact CD1-CZ3 3.86Å; L342-W352 VanDerWaalsContact CD2-CD1 3.44Å; L342-W352 HydrophobicContact CD2-CD2 3.88Å; L342-W352 HydrophobicContact CD2-CG 3.78Å; L342-W352 HydrophobicContact CD2-CZ2 4.26Å; L342-W352 VanDerWaalsContact CD2-NE1 3.32Å; L342-W352 HydrophobicContact CG-CD2 4.33Å; L342-W352 HydrophobicContact CG-CZ2 4.48Å; P346-W352 PolarHBondContact O-NE1 3.25Å; C348-W352 PolarHBondContact O-N 3.4Å; L349-W352 PolarHBondContact O-N 2.77Å; W352-M355 HydrophobicContact CD2-CE 4.38Å; W352-M355 HydrophobicContact CE3-CE 3.3Å; W352-M355 HydrophobicContact CH2-CE 4.32Å; W352-M355 HydrophobicContact CZ3-CE 3.28Å; W352-G356 PolarHBondContact O-N 3.15Å; W352-A371 HydrophobicContact CE3-CB 4.28Å; W352-H374 HydrophobicContact CD2-CB 3.85Å; W352-H374 HydrophobicContact CE3-CB 3.78Å; W352-H374 HydrophobicContact CG-CB 4.49Å; W352-H374 HydrophobicContact CH2-CB 4.16Å; W352-H374 AromaticContact CH2-CD2 3.96Å; W352-H374 HydrophobicContact CZ2-CB 4.2Å; W352-H374 HydrophobicContact CZ3-CB 3.93Å; W352-H374 AromaticContact CZ3-CD2 3.82Å; W352-A375 HydrophobicContact CB-CB 3.71Å
353T94.1Very high91.1Very high2 Ų255.6 Ų55.61%0.01226%0.264CS..Hα-helixtrans-68.1-48179.451.90000111.4L349 G350 M355 G356 H357 A375 R384 A385L349-T353 PolarHBondContact O-N 3.21Å; L349-T353 PolarHBondContact O-OG1 3.05Å; G350-T353 PolarHBondContact O-N 2.88Å; G350-T353 PolarHBondContact O-OG1 3.46Å; T353-M355 VanDerWaalsContact C-N 3.33Å; T353-M355 PolarHBondContact O-N 3.4Å; T353-G356 WeakPolarHBondContact O-CA 3.37Å; T353-G356 PolarHBondContact O-N 3.17Å; T353-H357 PolarHBondContact O-CD2 3.37Å; T353-H357 PolarHBondContact O-N 2.87Å; T353-A375 HydrophobicContact CG2-CB 3.78Å; T353-R384 HydrophobicContact CG2-CB 4.5Å; T353-A385 HydrophobicContact CG2-CB 3.77Å
354L94.5Very high91.5Very high26 Ų2651.8 Ų51.814%0.13625%0.251CS..Hα-helixtrans-61.9-40.1177.1-67.2171.2000111.9F338 G350 G356 H357 E358F338-L354 HydrophobicContact CD1-CB 4.19Å; F338-L354 HydrophobicContact CD2-CB 4.2Å; F338-L354 HydrophobicContact CE1-CB 3.78Å; F338-L354 HydrophobicContact CE1-CD1 3.68Å; F338-L354 HydrophobicContact CE1-CG 4.38Å; F338-L354 HydrophobicContact CE2-CB 3.79Å; F338-L354 HydrophobicContact CG-CB 4.4Å; F338-L354 HydrophobicContact CZ-CB 3.57Å; F338-L354 HydrophobicContact CZ-CD1 3.92Å; F338-L354 HydrophobicContact CZ-CG 4.28Å; G350-L354 WeakPolarHBondContact O-CB 3.49Å; G350-L354 VanDerWaalsContact O-CG 3.24Å; G350-L354 WeakPolarHBondContact O-CG 3.47Å; G350-L354 PolarHBondContact O-N 2.83Å; L354-G356 VanDerWaalsContact C-N 3.28Å; L354-G356 PolarHBondContact O-N 3.45Å; L354-H357 WeakPolarHBondContact O-CB 3.39Å; L354-H357 PolarHBondContact O-N 3.36Å; L354-E358 WeakPolarHBondContact O-CG 3.44Å; L354-E358 PolarHBondContact O-N 3.07Å
355M94.7Very high91.9Very high10 Ų1049.7 Ų49.75%0.04924%0.241CC..Hα-helixtrans-60.7-37.7173.3-171.5175.263.600112.3F338 Q339 L342 A351 W352 T353 H357 E358 Y359 A371F338-M355 HydrophobicContact CB-CB 3.87Å; F338-M355 HydrophobicContact CB-CG 4.32Å; F338-M355 HydrophobicContact CD2-CB 4.44Å; F338-M355 HydrophobicContact CG-CB 4.46Å; Q339-M355 HydrophobicContact CB-SD 4.34Å; L342-M355 HydrophobicContact CD1-CE 3.53Å; L342-M355 HydrophobicContact CD1-SD 3.96Å; A351-M355 WeakPolarHBondContact O-CB 3.48Å; A351-M355 PolarHBondContact O-N 3.4Å; W352-M355 HydrophobicContact CD2-CE 4.38Å; W352-M355 HydrophobicContact CE3-CE 3.3Å; W352-M355 HydrophobicContact CH2-CE 4.32Å; W352-M355 HydrophobicContact CZ3-CE 3.28Å; T353-M355 VanDerWaalsContact C-N 3.33Å; T353-M355 PolarHBondContact O-N 3.4Å; M355-H357 VanDerWaalsContact C-N 3.33Å; M355-E358 PolarHBondContact O-N 3.29Å; M355-Y359 HydrophobicContact CE-CE2 4.29Å; M355-Y359 HydrophobicContact CG-CD2 3.95Å; M355-Y359 HydrophobicContact CG-CE2 3.49Å; M355-Y359 VanDerWaalsContact CG-CE2 3.49Å; M355-Y359 WeakPolarHBondContact O-CD2 3.34Å; M355-Y359 PolarHBondContact O-N 3.08Å; M355-Y359 HydrophobicContact SD-CE2 3.93Å; M355-A371 HydrophobicContact CE-CB 3.9Å
356G94.7Very high92.3Very high0 Ų050.3 Ų50.30%025%0.251CS..Hα-helixtrans-61.1-40172.300000112.8W352 T353 L354 Y359 M360W352-G356 PolarHBondContact O-N 3.15Å; T353-G356 WeakPolarHBondContact O-CA 3.37Å; T353-G356 PolarHBondContact O-N 3.17Å; L354-G356 VanDerWaalsContact C-N 3.28Å; L354-G356 PolarHBondContact O-N 3.45Å; G356-Y359 PolarHBondContact O-N 3.49Å; G356-M360 WeakPolarHBondContact O-CG 3.43Å; G356-M360 PolarHBondContact O-N 2.93Å
357H94.5Very high92.8Very high73 Ų7348.1 Ų48.134%0.33824%0.238SC..Hα-helixtrans-64.4-45.1176.7-69.5-148.6000110.8T353 L354 M355 Y359 M360 E361 Y372T353-H357 PolarHBondContact O-CD2 3.37Å; T353-H357 PolarHBondContact O-N 2.87Å; L354-H357 WeakPolarHBondContact O-CB 3.39Å; L354-H357 PolarHBondContact O-N 3.36Å; M355-H357 VanDerWaalsContact C-N 3.33Å; H357-Y359 VanDerWaalsContact C-N 3.31Å; H357-Y359 PolarHBondContact O-N 3.19Å; H357-M360 WeakPolarHBondContact O-CB 3.27Å; H357-M360 PolarHBondContact O-N 3.29Å; H357-M360 VanDerWaalsContact O-N 3.07Å; H357-E361 PolarHBondContact O-N 2.98Å; H357-Y372 AromaticContact CD2-CE1 3.54Å; H357-Y372 AromaticContact CD2-CZ 3.57Å; H357-Y372 PolarHBondContact CD2-OH 3.48Å; H357-Y372 AromaticContact NE2-CE1 3.8Å; H357-Y372 PolarHBondContact NE2-OH 2.81Å
358E95.8Very high93.3Very high4 Ų441.7 Ų41.72%0.01921%0.214CC..Hα-helixtrans-61.5-39.5176.3-60.5-5113400112.3S326 H331 A334 A335 F338 L354 M355 M360 E361 M362S326-E358 WeakPolarHBondContact CB-OE1 3.29Å; S326-E358 VanDerWaalsContact OG-CD 3.31Å; S326-E358 PolarHBondContact OG-OE1 3.27Å; S326-E358 PolarHBondContact OG-OE2 2.83Å; H331-E358 WeakPolarHBondContact CA-OE2 3.27Å; H331-E358 IonicContact CE1-OE2 2.86Å; H331-E358 IonicContact CG-OE2 3.63Å; H331-E358 IonicContact ND1-OE2 2.99Å; H331-E358 PolarHBondContact ND1-OE2 3.36Å; A334-E358 HydrophobicContact CB-CG 3.8Å; A335-E358 HydrophobicContact CB-CB 4.22Å; F338-E358 HydrophobicContact CD2-CG 3.84Å; F338-E358 HydrophobicContact CE2-CG 3.57Å; L354-E358 WeakPolarHBondContact O-CG 3.44Å; L354-E358 PolarHBondContact O-N 3.07Å; M355-E358 PolarHBondContact O-N 3.29Å; E358-M360 VanDerWaalsContact C-N 3.3Å; E358-M360 PolarHBondContact O-N 3.15Å; E358-E361 PolarHBondContact O-N 3.27Å; E358-M362 HydrophobicContact CB-CE 4.38Å; E358-M362 WeakPolarHBondContact O-CE 3.28Å; E358-M362 WeakPolarHBondContact O-CG 3.25Å; E358-M362 PolarHBondContact O-N 3.15Å
359Y95.9Very high93.7Very high51 Ų5142 Ų4220%0.221%0.214CC..Hα-helixtrans-64.9-34174.3-75.5-52.5000112.8M355 G356 H357 M362 K363 N364 A367 A371M355-Y359 HydrophobicContact CE-CE2 4.29Å; M355-Y359 HydrophobicContact CG-CD2 3.95Å; M355-Y359 HydrophobicContact CG-CE2 3.49Å; M355-Y359 VanDerWaalsContact CG-CE2 3.49Å; M355-Y359 WeakPolarHBondContact O-CD2 3.34Å; M355-Y359 PolarHBondContact O-N 3.08Å; M355-Y359 HydrophobicContact SD-CE2 3.93Å; G356-Y359 PolarHBondContact O-N 3.49Å; H357-Y359 VanDerWaalsContact C-N 3.31Å; H357-Y359 PolarHBondContact O-N 3.19Å; Y359-M362 HydrophobicContact CD1-CE 3.43Å; Y359-M362 VanDerWaalsContact CD1-CE 3.43Å; Y359-M362 HydrophobicContact CE1-CE 3.8Å; Y359-M362 HydrophobicContact CG-CE 4.24Å; Y359-M362 CarbonylContact O-C 3.54Å; Y359-M362 PolarHBondContact O-N 3.29Å; Y359-K363 PolarHBondContact O-N 3.01Å; Y359-N364 HydrophobicContact CD1-CB 4.32Å; Y359-N364 PolarHBondContact O-N 3.49Å; Y359-A367 HydrophobicContact CD1-CB 3.79Å; Y359-A367 HydrophobicContact CD2-CB 3.88Å; Y359-A367 HydrophobicContact CE1-CB 4.05Å; Y359-A367 HydrophobicContact CE2-CB 4.1Å; Y359-A367 HydrophobicContact CG-CB 3.75Å; Y359-A371 HydrophobicContact CD2-CB 4.47Å
360M94.3Very high94Very high27 Ų2745.4 Ų45.413%0.13323%0.229CC..Hα-helixtrans-65.7-44.4174-75.5-64.3-72.600112.2G356 H357 E358 M362 K363 T365 A368 Y372 T392 I395G356-M360 WeakPolarHBondContact O-CG 3.43Å; G356-M360 PolarHBondContact O-N 2.93Å; H357-M360 WeakPolarHBondContact O-CB 3.27Å; H357-M360 PolarHBondContact O-N 3.29Å; H357-M360 VanDerWaalsContact O-N 3.07Å; E358-M360 VanDerWaalsContact C-N 3.3Å; E358-M360 PolarHBondContact O-N 3.15Å; M360-M362 VanDerWaalsContact C-N 3.28Å; M360-M362 PolarHBondContact O-N 3.09Å; M360-K363 WeakPolarHBondContact O-CA 3.31Å; M360-K363 PolarHBondContact O-N 3.08Å; M360-T365 HydrophobicContact SD-CG2 4.18Å; M360-A368 HydrophobicContact CG-CB 3.68Å; M360-A368 HydrophobicContact SD-CB 3.79Å; M360-Y372 HydrophobicContact CG-CE2 4.28Å; M360-T392 HydrophobicContact CE-CG2 3.7Å; M360-T392 HydrophobicContact CG-CG2 3.83Å; M360-T392 HydrophobicContact SD-CG2 3.23Å; M360-T392 WeakPolarHBondContact SD-CG2 3.29Å; M360-I395 HydrophobicContact CE-CD1 3.29Å; M360-I395 HydrophobicContact CE-CG1 4.26Å
361E93.5Very high94.2Very high120 Ų12044.7 Ų44.756%0.56122%0.222SC*.Hα-helixtrans-62.9-36.2175.3-66.6-58.1150.700111.8H357 E358 K363H357-E361 PolarHBondContact O-N 2.98Å; E358-E361 PolarHBondContact O-N 3.27Å; E361-K363 PolarHBondContact O-N 2.76Å
362M94.2Very high94.3Very high60 Ų6044.9 Ų44.930%0.29622%0.223SC..THydrogen-bonded Turntrans-73.70.2171.3-67.1-174-72.700114H331 E332 A335 E358 Y359 M360 N364H331-M362 HydrophobicContact CB-CG 3.51Å; H331-M362 HydrophobicContact CB-SD 3.98Å; E332-M362 HydrophobicContact CB-SD 4.39Å; E332-M362 HydrophobicContact CG-SD 3.74Å; A335-M362 HydrophobicContact CB-CE 3.86Å; E358-M362 HydrophobicContact CB-CE 4.38Å; E358-M362 WeakPolarHBondContact O-CE 3.28Å; E358-M362 WeakPolarHBondContact O-CG 3.25Å; E358-M362 PolarHBondContact O-N 3.15Å; Y359-M362 HydrophobicContact CD1-CE 3.43Å; Y359-M362 VanDerWaalsContact CD1-CE 3.43Å; Y359-M362 HydrophobicContact CE1-CE 3.8Å; Y359-M362 HydrophobicContact CG-CE 4.24Å; Y359-M362 CarbonylContact O-C 3.54Å; Y359-M362 PolarHBondContact O-N 3.29Å; M360-M362 VanDerWaalsContact C-N 3.28Å; M360-M362 PolarHBondContact O-N 3.09Å; M362-N364 PolarHBondContact O-N 3Å
363K93.6Very high94.3Very high184 Ų18448.3 Ų48.380%0.824%0.236SC*.THydrogen-bonded Turntrans59.618.6-175.2-55.5178.7-179.8177.10114.4Y359 M360 E361 T365Y359-K363 PolarHBondContact O-N 3.01Å; M360-K363 WeakPolarHBondContact O-CA 3.31Å; M360-K363 PolarHBondContact O-N 3.08Å; E361-K363 PolarHBondContact O-N 2.76Å; K363-T365 PolarHBondContact O-N 3.21Å
364N94.9Very high94.1Very high69 Ų6950.3 Ų50.337%0.36925%0.245SC..  trans-89.676.2174.5-170-8.9000110.2Y359 M362 S366 A367 A368Y359-N364 HydrophobicContact CD1-CB 4.32Å; Y359-N364 PolarHBondContact O-N 3.49Å; M362-N364 PolarHBondContact O-N 3Å; N364-S366 VanDerWaalsContact C-N 3.31Å; N364-S366 PolarHBondContact O-N 3.31Å; N364-S366 PolarHBondContact OD1-OG 3.49Å; N364-S366 VanDerWaalsContact OD1-OG 3.09Å; N364-A367 HydrophobicContact CB-CB 4.48Å; N364-A367 PolarHBondContact O-N 2.87Å; N364-A367 PolarHBondContact OD1-N 2.95Å; N364-A368 PolarHBondContact O-N 2.81Å; N364-A368 VanDerWaalsContact O-N 3.14Å
365T94.7Very high93.9Very high37 Ų3749.1 Ų49.123%0.22724%0.238CC..Hα-helixtrans-65.2-30.3-173.753.80000113.6M360 K363 A368 I369 L396M360-T365 HydrophobicContact SD-CG2 4.18Å; K363-T365 PolarHBondContact O-N 3.21Å; T365-A368 PolarHBondContact O-N 3.49Å; T365-I369 WeakPolarHBondContact O-CD1 3.37Å; T365-I369 VanDerWaalsContact O-CG1 3.27Å; T365-I369 WeakPolarHBondContact O-CG1 3.45Å; T365-I369 PolarHBondContact O-N 3.36Å; T365-L396 HydrophobicContact CG2-CD2 4.39Å
366S93.5Very high93.6Very high82 Ų8249.6 Ų49.657%0.57324%0.241SC*.Hα-helixtrans-68.2-46.3179.458.50000111.9N364 A368 I369 Q370N364-S366 VanDerWaalsContact C-N 3.31Å; N364-S366 PolarHBondContact O-N 3.31Å; N364-S366 PolarHBondContact OD1-OG 3.49Å; N364-S366 VanDerWaalsContact OD1-OG 3.09Å; S366-A368 VanDerWaalsContact C-N 3.34Å; S366-I369 PolarHBondContact O-N 3.09Å; S366-Q370 PolarHBondContact O-N 3.42Å
367A93.6Very high93.2Very high19 Ų1955.9 Ų55.916%0.15727%0.27CS..Hα-helixtrans-65.1-38.5175.500000111.7Y359 N364 Q370 A371Y359-A367 HydrophobicContact CD1-CB 3.79Å; Y359-A367 HydrophobicContact CD2-CB 3.88Å; Y359-A367 HydrophobicContact CE1-CB 4.05Å; Y359-A367 HydrophobicContact CE2-CB 4.1Å; Y359-A367 HydrophobicContact CG-CB 3.75Å; N364-A367 HydrophobicContact CB-CB 4.48Å; N364-A367 PolarHBondContact O-N 2.87Å; N364-A367 PolarHBondContact OD1-N 2.95Å; A367-Q370 PolarHBondContact O-N 3.46Å; A367-A371 PolarHBondContact O-N 3.48Å
368A95.1Very high92.7Very high0 Ų055.2 Ų55.20%027%0.271CS..Hα-helixtrans-59.8-48.5175.200000112.1M360 N364 T365 S366 Q370 A371 Y372 T392M360-A368 HydrophobicContact CG-CB 3.68Å; M360-A368 HydrophobicContact SD-CB 3.79Å; N364-A368 PolarHBondContact O-N 2.81Å; N364-A368 VanDerWaalsContact O-N 3.14Å; T365-A368 PolarHBondContact O-N 3.49Å; S366-A368 VanDerWaalsContact C-N 3.34Å; A368-Q370 VanDerWaalsContact C-N 3.27Å; A368-Q370 PolarHBondContact O-N 3.47Å; A368-A371 PolarHBondContact O-N 2.98Å; A368-Y372 HydrophobicContact CB-CE2 4.21Å; A368-Y372 WeakPolarHBondContact O-CD2 3.36Å; A368-Y372 PolarHBondContact O-N 3.17Å; A368-T392 HydrophobicContact CB-CG2 4.31Å
369I94.9Very high92Very high22 Ų2257.9 Ų57.911%0.11329%0.286CS..Hα-helixtrans-57.8-42.2177.5-70.9164.8000110.8T365 S366 R373 L389 Y393 L396T365-I369 WeakPolarHBondContact O-CD1 3.37Å; T365-I369 VanDerWaalsContact O-CG1 3.27Å; T365-I369 WeakPolarHBondContact O-CG1 3.45Å; T365-I369 PolarHBondContact O-N 3.36Å; S366-I369 PolarHBondContact O-N 3.09Å; I369-R373 HydrophobicContact CG2-CG 4.44Å; I369-R373 WeakPolarHBondContact O-CB 3.49Å; I369-R373 VanDerWaalsContact O-CG 3.29Å; I369-R373 WeakPolarHBondContact O-CG 3.03Å; I369-R373 PolarHBondContact O-N 3.3Å; I369-L389 HydrophobicContact CB-CD2 4.29Å; I369-L389 HydrophobicContact CG1-CD2 4.25Å; I369-L389 HydrophobicContact CG2-CD2 4.09Å; I369-Y393 HydrophobicContact CD1-CE1 4.42Å; I369-Y393 HydrophobicContact CD1-CE2 4.33Å; I369-Y393 HydrophobicContact CG1-CE2 4.38Å; I369-L396 HydrophobicContact CD1-CD1 3.92Å
370Q92.9Very high91.4Very high104 Ų10462.8 Ų62.849%0.48631%0.308SS..Hα-helixtrans-65.8-42.6178.9-163.5172.47.100111.9S366 A367 A368 R373 H374S366-Q370 PolarHBondContact O-N 3.42Å; A367-Q370 PolarHBondContact O-N 3.46Å; A368-Q370 VanDerWaalsContact C-N 3.27Å; A368-Q370 PolarHBondContact O-N 3.47Å; Q370-R373 PolarHBondContact O-N 3.29Å; Q370-H374 PolarHBondContact O-CD2 3Å; Q370-H374 VanDerWaalsContact O-CD2 3.23Å; Q370-H374 PolarHBondContact O-N 3.42Å
371A93Very high90.7Very high2 Ų265.5 Ų65.52%0.01732%0.317CS..Hα-helixtrans-61.6-45.7176.600000112.1W352 M355 Y359 A367 A368 H374 A375W352-A371 HydrophobicContact CE3-CB 4.28Å; M355-A371 HydrophobicContact CE-CB 3.9Å; Y359-A371 HydrophobicContact CD2-CB 4.47Å; A367-A371 PolarHBondContact O-N 3.48Å; A368-A371 PolarHBondContact O-N 2.98Å; A371-H374 PolarHBondContact O-N 3.08Å; A371-A375 PolarHBondContact O-N 3.11Å
372Y94.9Very high90.2Very high3 Ų360.2 Ų60.21%0.01229%0.293CS..Hα-helixtrans-68-35177.2-65.6-58.6000113.2H357 M360 A368 A375 I376 A385 L389 T392H357-Y372 AromaticContact CD2-CE1 3.54Å; H357-Y372 AromaticContact CD2-CZ 3.57Å; H357-Y372 PolarHBondContact CD2-OH 3.48Å; H357-Y372 AromaticContact NE2-CE1 3.8Å; H357-Y372 PolarHBondContact NE2-OH 2.81Å; M360-Y372 HydrophobicContact CG-CE2 4.28Å; A368-Y372 HydrophobicContact CB-CE2 4.21Å; A368-Y372 WeakPolarHBondContact O-CD2 3.36Å; A368-Y372 PolarHBondContact O-N 3.17Å; Y372-A375 WeakPolarHBondContact O-CB 3.46Å; Y372-A375 PolarHBondContact O-N 3.37Å; Y372-I376 WeakPolarHBondContact O-CG1 3.49Å; Y372-I376 PolarHBondContact O-N 3.12Å; Y372-A385 HydrophobicContact CD1-CB 4.5Å; Y372-L389 HydrophobicContact CD2-CD2 4.06Å; Y372-L389 HydrophobicContact CD2-CG 4.39Å; Y372-L389 HydrophobicContact CG-CD2 4.28Å; Y372-L389 HydrophobicContact CG-CG 4.27Å; Y372-T392 HydrophobicContact CD2-CG2 3.86Å; Y372-T392 HydrophobicContact CE2-CG2 3.44Å; Y372-T392 VanDerWaalsContact CE2-CG2 3.44Å
373R92.1Very high89.9Confident120 Ų12059.9 Ų59.945%0.45329%0.288SS..Hα-helixtrans-62.1-44.3173.8-78.3179.6-179.9-168.41.7111.4I369 Q370 A375 I376 E377 L389 Y393I369-R373 HydrophobicContact CG2-CG 4.44Å; I369-R373 WeakPolarHBondContact O-CB 3.49Å; I369-R373 VanDerWaalsContact O-CG 3.29Å; I369-R373 WeakPolarHBondContact O-CG 3.03Å; I369-R373 PolarHBondContact O-N 3.3Å; Q370-R373 PolarHBondContact O-N 3.29Å; R373-A375 VanDerWaalsContact C-N 3.33Å; R373-A375 PolarHBondContact O-N 3.4Å; R373-I376 PolarHBondContact O-N 3.4Å; R373-I376 VanDerWaalsContact O-N 3.15Å; R373-E377 WeakPolarHBondContact O-CG 3.42Å; R373-E377 PolarHBondContact O-N 3.22Å; R373-L389 HydrophobicContact CG-CD1 4.46Å; R373-Y393 PolarHBondContact NH2-OH 3.4Å
374H89.9Confident89.8Confident44 Ų4454.5 Ų54.520%0.20426%0.263CS..Hα-helixtrans-62.3-38.7173.6-75.1-51.8000112.4W352 Q370 A371 I376 E377 V378W352-H374 HydrophobicContact CD2-CB 3.85Å; W352-H374 HydrophobicContact CE3-CB 3.78Å; W352-H374 HydrophobicContact CG-CB 4.49Å; W352-H374 HydrophobicContact CH2-CB 4.16Å; W352-H374 AromaticContact CH2-CD2 3.96Å; W352-H374 HydrophobicContact CZ2-CB 4.2Å; W352-H374 HydrophobicContact CZ3-CB 3.93Å; W352-H374 AromaticContact CZ3-CD2 3.82Å; Q370-H374 PolarHBondContact O-CD2 3Å; Q370-H374 VanDerWaalsContact O-CD2 3.23Å; Q370-H374 PolarHBondContact O-N 3.42Å; A371-H374 PolarHBondContact O-N 3.08Å; H374-I376 VanDerWaalsContact C-N 3.29Å; H374-I376 PolarHBondContact O-N 3.11Å; H374-E377 IonicContact CE1-OE2 3.88Å; H374-E377 IonicContact CG-OE2 2.78Å; H374-E377 IonicContact ND1-OE2 3.47Å; H374-E377 PolarHBondContact ND1-OE2 2.68Å; H374-E377 PolarHBondContact O-N 3.31Å; H374-V378 WeakPolarHBondContact O-CG2 3.5Å; H374-V378 PolarHBondContact O-N 3.15Å
375A90.7Very high89.7Confident0 Ų051.2 Ų51.20%025%0.245CC..Hα-helixtrans-57.5-43172.800000111.9L349 W352 T353 A371 Y372 R373 V378 N379 A385L349-A375 HydrophobicContact CD1-CB 4.23Å; L349-A375 WeakPolarHBondContact CD1-O 3.36Å; W352-A375 HydrophobicContact CB-CB 3.71Å; T353-A375 HydrophobicContact CG2-CB 3.78Å; A371-A375 PolarHBondContact O-N 3.11Å; Y372-A375 WeakPolarHBondContact O-CB 3.46Å; Y372-A375 PolarHBondContact O-N 3.37Å; R373-A375 VanDerWaalsContact C-N 3.33Å; R373-A375 PolarHBondContact O-N 3.4Å; A375-V378 PolarHBondContact O-N 3.14Å; A375-N379 PolarHBondContact O-N 2.89Å; A375-A385 HydrophobicContact CB-CB 3.72Å
376I89.8Confident89.7Confident20 Ų2051 Ų5110%0.10324%0.24CC..Hα-helixtrans-68.2-36.8178.1-68.2163.1000112Y372 R373 H374 V378 N379 K380 A385 W386 L389Y372-I376 WeakPolarHBondContact O-CG1 3.49Å; Y372-I376 PolarHBondContact O-N 3.12Å; R373-I376 PolarHBondContact O-N 3.4Å; R373-I376 VanDerWaalsContact O-N 3.15Å; H374-I376 VanDerWaalsContact C-N 3.29Å; H374-I376 PolarHBondContact O-N 3.11Å; I376-V378 VanDerWaalsContact C-N 3.33Å; I376-N379 CarbonylContact O-C 3.05Å; I376-N379 VanDerWaalsContact O-C 3.27Å; I376-K380 HydrophobicContact CG2-CG 4.29Å; I376-K380 WeakPolarHBondContact O-CA 3.46Å; I376-K380 VanDerWaalsContact O-CG 3.22Å; I376-K380 WeakPolarHBondContact O-CG 3.22Å; I376-K380 PolarHBondContact O-N 3.04Å; I376-A385 HydrophobicContact CD1-CB 4.4Å; I376-A385 HydrophobicContact CG1-CB 3.8Å; I376-W386 HydrophobicContact CB-CZ2 4.43Å; I376-W386 HydrophobicContact CD1-CD2 3.7Å; I376-W386 HydrophobicContact CD1-CE3 3.64Å; I376-W386 HydrophobicContact CD1-CG 4.35Å; I376-W386 HydrophobicContact CD1-CH2 4.05Å; I376-W386 HydrophobicContact CD1-CZ2 4.1Å; I376-W386 HydrophobicContact CD1-CZ3 3.83Å; I376-W386 HydrophobicContact CG1-CD2 4.12Å; I376-W386 HydrophobicContact CG1-CZ2 4.18Å; I376-W386 HydrophobicContact CG2-CH2 3.77Å; I376-W386 HydrophobicContact CG2-CZ2 3.38Å; I376-L389 HydrophobicContact CD1-CD1 3.37Å; I376-L389 HydrophobicContact CD1-CG 4.38Å
377E85.6Confident89.7Confident132 Ų13249.4 Ų49.462%0.61722%0.222SC*.Hα-helixtrans-62.6-41174.5-72.9169.2179.800111.5R373 H374R373-E377 WeakPolarHBondContact O-CG 3.42Å; R373-E377 PolarHBondContact O-N 3.22Å; H374-E377 IonicContact CE1-OE2 3.88Å; H374-E377 IonicContact CG-OE2 2.78Å; H374-E377 IonicContact ND1-OE2 3.47Å; H374-E377 PolarHBondContact ND1-OE2 2.68Å; H374-E377 PolarHBondContact O-N 3.31Å
378V83.2Confident89.8Confident60 Ų6048.5 Ų48.536%0.36422%0.215SC..Hα-helixtrans-67.1-50.9176173.60000110.9R347 L349 H374 A375 I376R347-V378 HydrophobicContact CB-CG1 4.37Å; R347-V378 WeakPolarHBondContact O-CG1 3.49Å; L349-V378 HydrophobicContact CD1-CB 4.31Å; L349-V378 HydrophobicContact CD1-CG1 4.29Å; H374-V378 WeakPolarHBondContact O-CG2 3.5Å; H374-V378 PolarHBondContact O-N 3.15Å; A375-V378 PolarHBondContact O-N 3.14Å; I376-V378 VanDerWaalsContact C-N 3.33Å
379N81.8Confident89.7Confident59 Ų5948.6 Ų48.632%0.31622%0.215SC..  trans-146.3111.7176-172.5-1.5000111.5L349 A375 I376 R381 D382L349-N379 HydrophobicContact CD1-CB 3.7Å; L349-N379 HydrophobicContact CD2-CB 3.92Å; L349-N379 HydrophobicContact CG-CB 4.39Å; A375-N379 PolarHBondContact O-N 2.89Å; I376-N379 CarbonylContact O-C 3.05Å; I376-N379 VanDerWaalsContact O-C 3.27Å; N379-R381 PolarHBondContact O-N 3.45Å; N379-R381 VanDerWaalsContact O-N 3.09Å; N379-R381 VanDerWaalsContact OD1-CB 3.25Å; N379-R381 WeakPolarHBondContact OD1-CB 3.34Å; N379-R381 PolarHBondContact OD1-N 3.49Å; N379-D382 PolarHBondContact O-N 3.27Å
380K83.3Confident89.7Confident154 Ų15447.5 Ų47.567%0.6721%0.21SC*.THydrogen-bonded Turntrans-66.8-11.2179.3-62.7178.7-176.6176.10113.7I376 W386I376-K380 HydrophobicContact CG2-CG 4.29Å; I376-K380 WeakPolarHBondContact O-CA 3.46Å; I376-K380 VanDerWaalsContact O-CG 3.22Å; I376-K380 WeakPolarHBondContact O-CG 3.22Å; I376-K380 PolarHBondContact O-N 3.04Å; K380-W386 PolarHBondContact O-NE1 3.47Å
381R80.1Confident89.8Confident84 Ų8445.8 Ų45.832%0.31720%0.201SC..THydrogen-bonded Turntrans-91.4-9.1-176.2-61157.5134.6-160.4-48.9113.6I197 T198 N379 Y383 L412I197-R381 VanDerWaalsContact O-CZ 3.27Å; I197-R381 PolarHBondContact O-NH1 3.46Å; I197-R381 PolarHBondContact O-NH2 2.93Å; T198-R381 VanDerWaalsContact CA-CZ 3.44Å; T198-R381 PolarHBondContact O-NH2 3.34Å; N379-R381 PolarHBondContact O-N 3.45Å; N379-R381 VanDerWaalsContact O-N 3.09Å; N379-R381 VanDerWaalsContact OD1-CB 3.25Å; N379-R381 WeakPolarHBondContact OD1-CB 3.34Å; N379-R381 PolarHBondContact OD1-N 3.49Å; R381-Y383 PolarHBondContact O-N 3.01Å; R381-Y383 VanDerWaalsContact O-N 3.08Å; R381-L412 HydrophobicContact CB-CD2 4.47Å
382D82.8Confident89.9Confident10 Ų1045.7 Ų45.75%0.05320%0.201CC..  trans-73.4106.4177.1-163.2-13.3000110.4L349 N379 R384 A385L349-D382 HydrophobicContact CD1-CB 4.08Å; L349-D382 HydrophobicContact CD2-CB 3.61Å; L349-D382 WeakPolarHBondContact CD2-OD2 3.24Å; L349-D382 HydrophobicContact CG-CB 4.05Å; L349-D382 WeakPolarHBondContact CG-OD2 3.16Å; N379-D382 PolarHBondContact O-N 3.27Å; D382-R384 PolarHBondContact O-N 3.27Å; D382-R384 VanDerWaalsContact OD1-CB 3.29Å; D382-R384 WeakPolarHBondContact OD1-CB 3.44Å; D382-R384 WeakPolarHBondContact OD1-CG 3.49Å; D382-R384 IonicContact OD1-CZ 3.88Å; D382-R384 PolarHBondContact OD1-N 2.85Å; D382-R384 IonicContact OD1-NE 3.73Å; D382-R384 PolarHBondContact OD1-NE 3.16Å; D382-R384 IonicContact OD1-NH2 3.44Å; D382-R384 IonicContact OD2-CZ 3.94Å; D382-R384 IonicContact OD2-NE 2.63Å; D382-R384 PolarHBondContact OD2-NE 2.86Å; D382-R384 IonicContact OD2-NH2 3.63Å; D382-R384 PolarHBondContact OD2-NH2 3.27Å; D382-A385 PolarHBondContact O-N 3.09Å
383Y88.2Confident89.9Confident53 Ų5346.6 Ų46.621%0.20820%0.204CC..Hα-helixtrans-62.6-28.5176.875.9-94.7000112.2R381 A385 W386 Y387 R413 M419R381-Y383 PolarHBondContact O-N 3.01Å; R381-Y383 VanDerWaalsContact O-N 3.08Å; Y383-A385 VanDerWaalsContact C-N 3.35Å; Y383-A385 PolarHBondContact O-N 3.49Å; Y383-W386 PolarHBondContact O-N 3.47Å; Y383-Y387 VanDerWaalsContact O-CB 3.3Å; Y383-Y387 WeakPolarHBondContact O-CB 3.42Å; Y383-Y387 PolarHBondContact O-N 3.45Å; Y383-R413 HydrophobicContact CD1-CG 3.87Å; Y383-R413 HydrophobicContact CE1-CG 4.39Å; Y383-R413 HydrophobicContact CG-CG 3.98Å; Y383-M419 HydrophobicContact CD2-CE 3.09Å; Y383-M419 HydrophobicContact CE2-CE 3.8Å; Y383-M419 HydrophobicContact CG-CE 3.64Å
384R91.1Very high89.9Confident70 Ų7042.7 Ų42.726%0.26419%0.191SC..Hα-helixtrans-66.8-38.8-175.3-60.8173.6-63.5179.25.2111.1T353 D382 Y387 G388T353-R384 HydrophobicContact CG2-CB 4.5Å; D382-R384 PolarHBondContact O-N 3.27Å; D382-R384 VanDerWaalsContact OD1-CB 3.29Å; D382-R384 WeakPolarHBondContact OD1-CB 3.44Å; D382-R384 WeakPolarHBondContact OD1-CG 3.49Å; D382-R384 IonicContact OD1-CZ 3.88Å; D382-R384 PolarHBondContact OD1-N 2.85Å; D382-R384 IonicContact OD1-NE 3.73Å; D382-R384 PolarHBondContact OD1-NE 3.16Å; D382-R384 IonicContact OD1-NH2 3.44Å; D382-R384 IonicContact OD2-CZ 3.94Å; D382-R384 IonicContact OD2-NE 2.63Å; D382-R384 PolarHBondContact OD2-NE 2.86Å; D382-R384 IonicContact OD2-NH2 3.63Å; D382-R384 PolarHBondContact OD2-NH2 3.27Å; R384-Y387 PolarHBondContact O-N 3.35Å; R384-G388 PolarHBondContact O-N 3.14Å
385A92.3Very high90Very high0 Ų046 Ų460%021%0.209CC..Hα-helixtrans-65.9-43.217600000111.9T353 Y372 A375 I376 D382 Y383 G388 L389T353-A385 HydrophobicContact CG2-CB 3.77Å; Y372-A385 HydrophobicContact CD1-CB 4.5Å; A375-A385 HydrophobicContact CB-CB 3.72Å; I376-A385 HydrophobicContact CD1-CB 4.4Å; I376-A385 HydrophobicContact CG1-CB 3.8Å; D382-A385 PolarHBondContact O-N 3.09Å; Y383-A385 VanDerWaalsContact C-N 3.35Å; Y383-A385 PolarHBondContact O-N 3.49Å; A385-G388 PolarHBondContact O-N 3.19Å; A385-L389 PolarHBondContact O-N 2.86Å
386W94.8Very high90.1Very high33 Ų3349 Ų4913%0.12523%0.225CC..Hα-helixtrans-64.4-42.9176-69.6111000112.3I376 K380 Y383 L389 G390 Y404 Y405 K408 A409 L412I376-W386 HydrophobicContact CB-CZ2 4.43Å; I376-W386 HydrophobicContact CD1-CD2 3.7Å; I376-W386 HydrophobicContact CD1-CE3 3.64Å; I376-W386 HydrophobicContact CD1-CG 4.35Å; I376-W386 HydrophobicContact CD1-CH2 4.05Å; I376-W386 HydrophobicContact CD1-CZ2 4.1Å; I376-W386 HydrophobicContact CD1-CZ3 3.83Å; I376-W386 HydrophobicContact CG1-CD2 4.12Å; I376-W386 HydrophobicContact CG1-CZ2 4.18Å; I376-W386 HydrophobicContact CG2-CH2 3.77Å; I376-W386 HydrophobicContact CG2-CZ2 3.38Å; K380-W386 PolarHBondContact O-NE1 3.47Å; Y383-W386 PolarHBondContact O-N 3.47Å; W386-L389 PolarHBondContact O-N 2.77Å; W386-G390 PolarHBondContact O-N 3.5Å; W386-Y404 HydrophobicContact CZ3-CE1 4.49Å; W386-Y405 AromaticContact CE3-CD1 3.63Å; W386-Y405 HydrophobicContact CE3-CD1 3.63Å; W386-Y405 HydrophobicContact CE3-CE1 4.27Å; W386-Y405 AromaticContact CZ3-CD1 3.61Å; W386-Y405 HydrophobicContact CZ3-CD1 3.61Å; W386-Y405 AromaticContact CZ3-CE1 3.83Å; W386-Y405 HydrophobicContact CZ3-CE1 3.83Å; W386-K408 HydrophobicContact CD2-CB 3.91Å; W386-K408 HydrophobicContact CE3-CB 3.87Å; W386-K408 HydrophobicContact CE3-CG 4.37Å; W386-K408 HydrophobicContact CG-CB 4.28Å; W386-K408 HydrophobicContact CZ3-CB 4.3Å; W386-K408 HydrophobicContact CZ3-CG 4.31Å; W386-A409 HydrophobicContact CB-CB 3.85Å; W386-L412 HydrophobicContact CG-CD1 4.39Å
387Y94.6Very high90.3Very high49 Ų4956.8 Ų56.819%0.19226%0.258CS..Hα-helixtrans-65.8-44.9176.7-176.8-103.4000111.4Y383 R384 L389 G390 Q391 Y406 M419 A422Y383-Y387 VanDerWaalsContact O-CB 3.3Å; Y383-Y387 WeakPolarHBondContact O-CB 3.42Å; Y383-Y387 PolarHBondContact O-N 3.45Å; R384-Y387 PolarHBondContact O-N 3.35Å; Y387-L389 VanDerWaalsContact C-N 3.35Å; Y387-L389 PolarHBondContact O-N 3.2Å; Y387-G390 WeakPolarHBondContact O-CA 3.3Å; Y387-G390 PolarHBondContact O-N 3.24Å; Y387-Q391 HydrophobicContact CD1-CG 4.29Å; Y387-Q391 HydrophobicContact CE1-CG 3.91Å; Y387-Q391 PolarHBondContact O-N 2.67Å; Y387-Q391 PolarHBondContact OH-NE2 3.2Å; Y387-Y406 AromaticContact CD2-CD1 3.7Å; Y387-Y406 HydrophobicContact CD2-CD1 3.7Å; Y387-Y406 AromaticContact CD2-CE1 3.46Å; Y387-Y406 HydrophobicContact CD2-CE1 3.46Å; Y387-Y406 VanDerWaalsContact CD2-CE1 3.46Å; Y387-Y406 HydrophobicContact CE2-CD1 4.1Å; Y387-Y406 AromaticContact CE2-CE1 3.57Å; Y387-Y406 HydrophobicContact CE2-CE1 3.57Å; Y387-Y406 HydrophobicContact CG-CE1 4.22Å; Y387-Y406 WeakPolarHBondContact O-CE1 3.17Å; Y387-M419 HydrophobicContact CD2-CG 4.29Å; Y387-A422 HydrophobicContact CE2-CB 4.02Å
388G93.9Very high90.7Very high0 Ų054 Ų540%025%0.246CC..Hα-helixtrans-57.9-43.5174.300000112.5R384 A385 G390 Q391 T392R384-G388 PolarHBondContact O-N 3.14Å; A385-G388 PolarHBondContact O-N 3.19Å; G388-G390 PolarHBondContact O-N 3.45Å; G388-Q391 PolarHBondContact O-N 3.31Å; G388-T392 WeakPolarHBondContact O-CG2 3.4Å; G388-T392 PolarHBondContact O-N 3.48Å
389L94.8Very high91.1Very high1 Ų152.7 Ų52.71%0.00524%0.239CC..Hα-helixtrans-59.3-46.5170.8-79.1-178.8000112I369 Y372 R373 I376 A385 W386 Y387 Q391 T392 Y393 Y405I369-L389 HydrophobicContact CB-CD2 4.29Å; I369-L389 HydrophobicContact CG1-CD2 4.25Å; I369-L389 HydrophobicContact CG2-CD2 4.09Å; Y372-L389 HydrophobicContact CD2-CD2 4.06Å; Y372-L389 HydrophobicContact CD2-CG 4.39Å; Y372-L389 HydrophobicContact CG-CD2 4.28Å; Y372-L389 HydrophobicContact CG-CG 4.27Å; R373-L389 HydrophobicContact CG-CD1 4.46Å; I376-L389 HydrophobicContact CD1-CD1 3.37Å; I376-L389 HydrophobicContact CD1-CG 4.38Å; A385-L389 PolarHBondContact O-N 2.86Å; W386-L389 PolarHBondContact O-N 2.77Å; Y387-L389 VanDerWaalsContact C-N 3.35Å; Y387-L389 PolarHBondContact O-N 3.2Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 2.66Å; L389-T392 WeakPolarHBondContact CA-OG1 3.19Å; L389-T392 PolarHBondContact O-N 3.4Å; L389-T392 VanDerWaalsContact O-N 3.14Å; L389-T392 PolarHBondContact O-OG1 2.95Å; L389-Y393 HydrophobicContact CD2-CE2 4.29Å; L389-Y393 VanDerWaalsContact O-CD2 3.27Å; L389-Y393 WeakPolarHBondContact O-CD2 3.43Å; L389-Y393 PolarHBondContact O-N 3.24Å; L389-Y405 HydrophobicContact CB-CD1 4.34Å; L389-Y405 HydrophobicContact CB-CD2 4.21Å; L389-Y405 HydrophobicContact CB-CG 4.04Å; L389-Y405 HydrophobicContact CD1-CD1 4.11Å; L389-Y405 HydrophobicContact CD1-CE1 3.92Å
390G95Very high91.6Very high0 Ų057.1 Ų57.10%026%0.256CS..Hα-helixtrans-52.7-50.9175.200000111.7W386 Y387 G388 T392 Y393 E394 C402W386-G390 PolarHBondContact O-N 3.5Å; Y387-G390 WeakPolarHBondContact O-CA 3.3Å; Y387-G390 PolarHBondContact O-N 3.24Å; G388-G390 PolarHBondContact O-N 3.45Å; G390-T392 PolarHBondContact O-N 2.89Å; G390-Y393 PolarHBondContact O-N 3.17Å; G390-E394 WeakPolarHBondContact O-CB 3.3Å; G390-E394 PolarHBondContact O-N 3.22Å; G390-C402 PolarHBondContact O-SG 3.24Å
391Q94.3Very high92.1Very high67 Ų6756.3 Ų56.331%0.31325%0.249SC..Hα-helixtrans-59.7-42.2176.3-70.9-175.8-3800112.4Y387 G388 L389 Y393 E394 I395 Y406Y387-Q391 HydrophobicContact CD1-CG 4.29Å; Y387-Q391 HydrophobicContact CE1-CG 3.91Å; Y387-Q391 PolarHBondContact O-N 2.67Å; Y387-Q391 PolarHBondContact OH-NE2 3.2Å; G388-Q391 PolarHBondContact O-N 3.31Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 2.66Å; Q391-Y393 PolarHBondContact O-N 3.43Å; Q391-E394 WeakPolarHBondContact O-CB 3.43Å; Q391-E394 PolarHBondContact O-N 3Å; Q391-I395 WeakPolarHBondContact O-CG1 3.45Å; Q391-I395 PolarHBondContact O-N 3.22Å; Q391-Y406 VanDerWaalsContact CA-OH 3.3Å; Q391-Y406 WeakPolarHBondContact CA-OH 3.49Å; Q391-Y406 HydrophobicContact CG-CE1 4.24Å; Q391-Y406 WeakPolarHBondContact CG-OH 3.24Å; Q391-Y406 PolarHBondContact N-OH 2.84Å
392T94.6Very high92.7Very high0 Ų052.3 Ų52.30%023%0.234CC..Hα-helixtrans-61-45.1177.569.30000112.2M360 A368 Y372 G388 L389 G390 E394 I395 L396M360-T392 HydrophobicContact CE-CG2 3.7Å; M360-T392 HydrophobicContact CG-CG2 3.83Å; M360-T392 HydrophobicContact SD-CG2 3.23Å; M360-T392 WeakPolarHBondContact SD-CG2 3.29Å; A368-T392 HydrophobicContact CB-CG2 4.31Å; Y372-T392 HydrophobicContact CD2-CG2 3.86Å; Y372-T392 HydrophobicContact CE2-CG2 3.44Å; Y372-T392 VanDerWaalsContact CE2-CG2 3.44Å; G388-T392 WeakPolarHBondContact O-CG2 3.4Å; G388-T392 PolarHBondContact O-N 3.48Å; L389-T392 WeakPolarHBondContact CA-OG1 3.19Å; L389-T392 PolarHBondContact O-N 3.4Å; L389-T392 VanDerWaalsContact O-N 3.14Å; L389-T392 PolarHBondContact O-OG1 2.95Å; G390-T392 PolarHBondContact O-N 2.89Å; T392-E394 VanDerWaalsContact C-N 3.32Å; T392-I395 PolarHBondContact O-N 3.05Å; T392-L396 WeakPolarHBondContact O-CG 3.38Å; T392-L396 PolarHBondContact O-N 3Å; T392-L396 VanDerWaalsContact O-N 3.11Å
393Y94.5Very high93.2Very high22 Ų2253.1 Ų53.19%0.08624%0.239CC..Hα-helixtrans-73.4-26.8179.4-80.4-75.3000112.5I369 R373 L389 G390 Q391 L396 K397 M398 Y405I369-Y393 HydrophobicContact CD1-CE1 4.42Å; I369-Y393 HydrophobicContact CD1-CE2 4.33Å; I369-Y393 HydrophobicContact CG1-CE2 4.38Å; R373-Y393 PolarHBondContact NH2-OH 3.4Å; L389-Y393 HydrophobicContact CD2-CE2 4.29Å; L389-Y393 VanDerWaalsContact O-CD2 3.27Å; L389-Y393 WeakPolarHBondContact O-CD2 3.43Å; L389-Y393 PolarHBondContact O-N 3.24Å; G390-Y393 PolarHBondContact O-N 3.17Å; Q391-Y393 PolarHBondContact O-N 3.43Å; Y393-L396 HydrophobicContact CD1-CD1 4.29Å; Y393-L396 CarbonylContact O-C 3.46Å; Y393-L396 PolarHBondContact O-N 2.87Å; Y393-K397 PolarHBondContact O-N 2.88Å; Y393-M398 HydrophobicContact CD1-CB 4.36Å; Y393-M398 HydrophobicContact CD1-CE 3.91Å; Y393-M398 HydrophobicContact CD1-SD 4.37Å; Y393-M398 HydrophobicContact CE1-CE 4.09Å; Y393-M398 PolarHBondContact O-N 3.4Å; Y393-Y405 AromaticContact CD2-CD2 3.58Å; Y393-Y405 HydrophobicContact CD2-CD2 3.58Å; Y393-Y405 AromaticContact CD2-CE2 3.37Å; Y393-Y405 HydrophobicContact CD2-CE2 3.37Å; Y393-Y405 AromaticContact CE2-CD2 3.95Å; Y393-Y405 HydrophobicContact CE2-CD2 3.95Å; Y393-Y405 AromaticContact CE2-CE2 3.26Å; Y393-Y405 HydrophobicContact CE2-CE2 3.26Å; Y393-Y405 AromaticContact CE2-CZ 4Å; Y393-Y405 HydrophobicContact CG-CD2 4.39Å; Y393-Y405 HydrophobicContact CG-CE2 4.26Å
394E93Very high93.5Very high39 Ų3956.8 Ų56.818%0.18225%0.253CS..Hα-helixtrans-65.1-45.1170.6-171174-177.200111.9G390 Q391 T392 L396 K397 Y406 K429G390-E394 WeakPolarHBondContact O-CB 3.3Å; G390-E394 PolarHBondContact O-N 3.22Å; Q391-E394 WeakPolarHBondContact O-CB 3.43Å; Q391-E394 PolarHBondContact O-N 3Å; T392-E394 VanDerWaalsContact C-N 3.32Å; E394-L396 VanDerWaalsContact C-N 3.26Å; E394-L396 PolarHBondContact O-N 3.46Å; E394-K397 WeakPolarHBondContact O-CA 3.42Å; E394-K397 PolarHBondContact O-N 2.93Å; E394-Y406 PolarHBondContact OE2-OH 2.99Å; E394-K429 IonicContact OE1-NZ 2.8Å; E394-K429 PolarHBondContact OE1-NZ 2.92Å
395I92.4Very high93.7Very high112 Ų11254.8 Ų54.857%0.57425%0.246SC*.Hα-helixtrans-62.6-36.5174.4-66.8-178.7000110.8M360 Q391 T392 K397M360-I395 HydrophobicContact CE-CD1 3.29Å; M360-I395 HydrophobicContact CE-CG1 4.26Å; Q391-I395 WeakPolarHBondContact O-CG1 3.45Å; Q391-I395 PolarHBondContact O-N 3.22Å; T392-I395 PolarHBondContact O-N 3.05Å; I395-K397 PolarHBondContact O-N 3.29Å
396L92.7Very high93.8Very high64 Ų6454.9 Ų54.934%0.33525%0.246SC..THydrogen-bonded Turntrans-72.80.5173-65.6173.9000114T365 I369 T392 Y393 E394 M398T365-L396 HydrophobicContact CG2-CD2 4.39Å; I369-L396 HydrophobicContact CD1-CD1 3.92Å; T392-L396 WeakPolarHBondContact O-CG 3.38Å; T392-L396 PolarHBondContact O-N 3Å; T392-L396 VanDerWaalsContact O-N 3.11Å; Y393-L396 HydrophobicContact CD1-CD1 4.29Å; Y393-L396 CarbonylContact O-C 3.46Å; Y393-L396 PolarHBondContact O-N 2.87Å; E394-L396 VanDerWaalsContact C-N 3.26Å; E394-L396 PolarHBondContact O-N 3.46Å; L396-M398 VanDerWaalsContact C-N 3.27Å; L396-M398 HydrophobicContact CB-CE 3.58Å; L396-M398 HydrophobicContact CD1-CE 3.68Å; L396-M398 HydrophobicContact CG-CE 4.21Å; L396-M398 PolarHBondContact O-N 3.25Å
397K93.1Very high93.8Very high183 Ų18360.4 Ų60.480%0.79627%0.267SS*.THydrogen-bonded Turntrans56.936.1-179.5-56.6-176.9179.2-178.50113.7Y393 E394 I395 P399Y393-K397 PolarHBondContact O-N 2.88Å; E394-K397 WeakPolarHBondContact O-CA 3.42Å; E394-K397 PolarHBondContact O-N 2.93Å; I395-K397 PolarHBondContact O-N 3.29Å; K397-P399 VanDerWaalsContact C-CD 3.47Å; K397-P399 WeakPolarHBondContact O-CD 3.41Å
398M93.8Very high93.7Very high73 Ų7361.4 Ų61.436%0.3627%0.272SS..  trans-107.979.1175.5-74.1-171.6-95.300110.8Y393 L396 F400 Y401 C402Y393-M398 HydrophobicContact CD1-CB 4.36Å; Y393-M398 HydrophobicContact CD1-CE 3.91Å; Y393-M398 HydrophobicContact CD1-SD 4.37Å; Y393-M398 HydrophobicContact CE1-CE 4.09Å; Y393-M398 PolarHBondContact O-N 3.4Å; L396-M398 VanDerWaalsContact C-N 3.27Å; L396-M398 HydrophobicContact CB-CE 3.58Å; L396-M398 HydrophobicContact CD1-CE 3.68Å; L396-M398 HydrophobicContact CG-CE 4.21Å; L396-M398 PolarHBondContact O-N 3.25Å; M398-F400 PolarHBondContact O-N 3.3Å; M398-Y401 HydrophobicContact CB-CD2 4.22Å; M398-Y401 PolarHBondContact O-N 3.33Å; M398-Y401 HydrophobicContact SD-CD2 4.21Å; M398-C402 WeakPolarHBondContact O-CB 3.37Å; M398-C402 PolarHBondContact O-N 3.48Å; M398-C402 VanDerWaalsContact O-N 3.14Å
399P91.3Very high93.6Very high34 Ų3461.4 Ų61.422%0.22127%0.272CS..Hα-helixtrans-66.9-29.4-167.726.6-36.3000114.2K397 C402 L403 K429 L430K397-P399 VanDerWaalsContact C-CD 3.47Å; K397-P399 WeakPolarHBondContact O-CD 3.41Å; P399-C402 WeakPolarHBondContact O-CB 3.27Å; P399-L403 WeakPolarHBondContact O-CB 3.43Å; P399-L403 PolarHBondContact O-N 2.98Å; P399-K429 HydrophobicContact CB-CB 4.26Å; P399-L430 HydrophobicContact CB-CD2 3.75Å; P399-L430 HydrophobicContact CB-CG 3.92Å; P399-L430 HydrophobicContact CG-CD2 3.61Å; P399-L430 HydrophobicContact CG-CG 4.3Å
400F92.7Very high93.4Very high152 Ų15262.5 Ų62.567%0.66728%0.277SS*.Hα-helixtrans-65.9-44177-72.5-77000113.2M398 Y404 L430M398-F400 PolarHBondContact O-N 3.3Å; F400-Y404 PolarHBondContact O-N 3.02Å; F400-L430 HydrophobicContact CD1-CD1 4.39Å; F400-L430 HydrophobicContact CD1-CD2 4.01Å; F400-L430 HydrophobicContact CD2-CD2 3.88Å; F400-L430 HydrophobicContact CE1-CD1 4.48Å; F400-L430 HydrophobicContact CE1-CD2 3.8Å; F400-L430 HydrophobicContact CE2-CD2 3.65Å; F400-L430 HydrophobicContact CG-CD2 4.05Å; F400-L430 HydrophobicContact CZ-CD2 3.61Å
401Y93.4Very high93.2Very high136 Ų13667.5 Ų67.553%0.53330%0.3SS..Hα-helixtrans-68.4-42.6176.6-73.4-79.2000110.9M398 L403 Y404 Y405M398-Y401 HydrophobicContact CB-CD2 4.22Å; M398-Y401 PolarHBondContact O-N 3.33Å; M398-Y401 HydrophobicContact SD-CD2 4.21Å; Y401-L403 VanDerWaalsContact C-N 3.34Å; Y401-L403 PolarHBondContact O-N 3.48Å; Y401-Y404 WeakPolarHBondContact O-CB 3.06Å; Y401-Y404 PolarHBondContact O-N 3.08Å; Y401-Y405 WeakPolarHBondContact O-CD2 3.37Å; Y401-Y405 PolarHBondContact O-N 3.35Å; Y401-Y405 VanDerWaalsContact O-N 3.16Å
402C93.3Very high92.7Very high1 Ų167.1 Ų67.11%0.00730%0.3CS..Hα-helixtrans-53.3-50.6174-178.40000111.8G390 M398 P399 Y404 Y405 Y406 S426G390-C402 PolarHBondContact O-SG 3.24Å; M398-C402 WeakPolarHBondContact O-CB 3.37Å; M398-C402 PolarHBondContact O-N 3.48Å; M398-C402 VanDerWaalsContact O-N 3.14Å; P399-C402 WeakPolarHBondContact O-CB 3.27Å; C402-Y404 VanDerWaalsContact C-N 3.31Å; C402-Y404 PolarHBondContact O-N 3.47Å; C402-Y405 PolarHBondContact O-N 3.13Å; C402-Y405 VanDerWaalsContact O-N 3.12Å; C402-Y406 PolarHBondContact O-N 2.95Å; C402-Y406 WeakPolarHBondContact SG-CD2 3.43Å; C402-Y406 WeakPolarHBondContact SG-CE2 3.47Å; C402-S426 PolarHBondContact SG-OG 3.39Å; C402-S426 VanDerWaalsContact SG-OG 3.39Å
403L93.6Very high92.1Very high27 Ų2769.2 Ų69.214%0.14131%0.308CS..Hα-helixtrans-57.1-42.3178.8-176.471.8000112.4P399 Y401 R407 L423 Y427 L430P399-L403 WeakPolarHBondContact O-CB 3.43Å; P399-L403 PolarHBondContact O-N 2.98Å; Y401-L403 VanDerWaalsContact C-N 3.34Å; Y401-L403 PolarHBondContact O-N 3.48Å; L403-R407 VanDerWaalsContact O-CB 3.23Å; L403-R407 WeakPolarHBondContact O-CB 3.34Å; L403-R407 PolarHBondContact O-N 3.15Å; L403-L423 HydrophobicContact CD1-CD2 3.67Å; L403-Y427 HydrophobicContact CD1-CD1 4.05Å; L403-Y427 HydrophobicContact CD1-CD2 4.05Å; L403-Y427 HydrophobicContact CD1-CE1 3.68Å; L403-Y427 HydrophobicContact CD1-CE2 3.65Å; L403-Y427 HydrophobicContact CD1-CG 4.23Å; L403-Y427 VanDerWaalsContact CD1-CZ 3.46Å; L403-Y427 HydrophobicContact CD2-CD1 4.32Å; L403-Y427 HydrophobicContact CD2-CE1 3.7Å; L403-Y427 HydrophobicContact CG-CE1 4.33Å; L403-L430 HydrophobicContact CB-CD1 4.47Å; L403-L430 HydrophobicContact CD2-CD1 3.91Å
404Y94.6Very high91.7Very high130 Ų13070.8 Ų70.851%0.5132%0.321SS..Hα-helixtrans-59.6-47.9176.7173.7-94.2000111.7W386 F400 Y401 C402 R407 K408W386-Y404 HydrophobicContact CZ3-CE1 4.49Å; F400-Y404 PolarHBondContact O-N 3.02Å; Y401-Y404 WeakPolarHBondContact O-CB 3.06Å; Y401-Y404 PolarHBondContact O-N 3.08Å; C402-Y404 VanDerWaalsContact C-N 3.31Å; C402-Y404 PolarHBondContact O-N 3.47Å; Y404-R407 PolarHBondContact O-N 2.76Å; Y404-K408 HydrophobicContact CE1-CG 4.35Å; Y404-K408 PolarHBondContact O-N 3.23Å; Y404-K408 VanDerWaalsContact O-N 3.14Å
405Y95Very high91.2Very high28 Ų2875.2 Ų75.211%0.1135%0.346CS..Hα-helixtrans-70.9-42.1-177.5-66.5-55.3000112.7W386 L389 Y393 Y401 C402 R407 K408 A409W386-Y405 AromaticContact CE3-CD1 3.63Å; W386-Y405 HydrophobicContact CE3-CD1 3.63Å; W386-Y405 HydrophobicContact CE3-CE1 4.27Å; W386-Y405 AromaticContact CZ3-CD1 3.61Å; W386-Y405 HydrophobicContact CZ3-CD1 3.61Å; W386-Y405 AromaticContact CZ3-CE1 3.83Å; W386-Y405 HydrophobicContact CZ3-CE1 3.83Å; L389-Y405 HydrophobicContact CB-CD1 4.34Å; L389-Y405 HydrophobicContact CB-CD2 4.21Å; L389-Y405 HydrophobicContact CB-CG 4.04Å; L389-Y405 HydrophobicContact CD1-CD1 4.11Å; L389-Y405 HydrophobicContact CD1-CE1 3.92Å; Y393-Y405 AromaticContact CD2-CD2 3.58Å; Y393-Y405 HydrophobicContact CD2-CD2 3.58Å; Y393-Y405 AromaticContact CD2-CE2 3.37Å; Y393-Y405 HydrophobicContact CD2-CE2 3.37Å; Y393-Y405 AromaticContact CE2-CD2 3.95Å; Y393-Y405 HydrophobicContact CE2-CD2 3.95Å; Y393-Y405 AromaticContact CE2-CE2 3.26Å; Y393-Y405 HydrophobicContact CE2-CE2 3.26Å; Y393-Y405 AromaticContact CE2-CZ 4Å; Y393-Y405 HydrophobicContact CG-CD2 4.39Å; Y393-Y405 HydrophobicContact CG-CE2 4.26Å; Y401-Y405 WeakPolarHBondContact O-CD2 3.37Å; Y401-Y405 PolarHBondContact O-N 3.35Å; Y401-Y405 VanDerWaalsContact O-N 3.16Å; C402-Y405 PolarHBondContact O-N 3.13Å; C402-Y405 VanDerWaalsContact O-N 3.12Å; Y405-R407 VanDerWaalsContact C-N 3.31Å; Y405-R407 PolarHBondContact O-N 3.4Å; Y405-K408 WeakPolarHBondContact O-CB 3.36Å; Y405-K408 PolarHBondContact O-N 3.4Å; Y405-A409 PolarHBondContact O-N 3.44Å
406Y95Very high90.9Very high1 Ų170.8 Ų70.80%0.00432%0.324CS..Hα-helixtrans-64.3-35.3173.7-74.2-31.2000112.7Y387 Q391 E394 C402 K408 A409 H410 A422 S426Y387-Y406 AromaticContact CD2-CD1 3.7Å; Y387-Y406 HydrophobicContact CD2-CD1 3.7Å; Y387-Y406 AromaticContact CD2-CE1 3.46Å; Y387-Y406 HydrophobicContact CD2-CE1 3.46Å; Y387-Y406 VanDerWaalsContact CD2-CE1 3.46Å; Y387-Y406 HydrophobicContact CE2-CD1 4.1Å; Y387-Y406 AromaticContact CE2-CE1 3.57Å; Y387-Y406 HydrophobicContact CE2-CE1 3.57Å; Y387-Y406 HydrophobicContact CG-CE1 4.22Å; Y387-Y406 WeakPolarHBondContact O-CE1 3.17Å; Q391-Y406 VanDerWaalsContact CA-OH 3.3Å; Q391-Y406 WeakPolarHBondContact CA-OH 3.49Å; Q391-Y406 HydrophobicContact CG-CE1 4.24Å; Q391-Y406 WeakPolarHBondContact CG-OH 3.24Å; Q391-Y406 PolarHBondContact N-OH 2.84Å; E394-Y406 PolarHBondContact OE2-OH 2.99Å; C402-Y406 PolarHBondContact O-N 2.95Å; C402-Y406 WeakPolarHBondContact SG-CD2 3.43Å; C402-Y406 WeakPolarHBondContact SG-CE2 3.47Å; Y406-K408 VanDerWaalsContact C-N 3.29Å; Y406-K408 PolarHBondContact O-N 3.05Å; Y406-A409 PolarHBondContact O-N 3.35Å; Y406-H410 WeakPolarHBondContact O-CB 3.12Å; Y406-H410 PolarHBondContact O-N 3.43Å; Y406-A422 HydrophobicContact CD1-CB 4.39Å; Y406-A422 HydrophobicContact CD2-CB 3.91Å; Y406-A422 HydrophobicContact CE1-CB 4.12Å; Y406-A422 HydrophobicContact CE2-CB 3.59Å; Y406-A422 HydrophobicContact CG-CB 4.31Å; Y406-S426 WeakPolarHBondContact CD2-OG 3.44Å
407R93.9Very high90.7Very high150 Ų15067.9 Ų67.957%0.56631%0.308SS*.Hα-helixtrans-64.4-36.8174.7-173175.3-179.2-1781111.3L403 Y404 Y405 H410 Q411 L423L403-R407 VanDerWaalsContact O-CB 3.23Å; L403-R407 WeakPolarHBondContact O-CB 3.34Å; L403-R407 PolarHBondContact O-N 3.15Å; Y404-R407 PolarHBondContact O-N 2.76Å; Y405-R407 VanDerWaalsContact C-N 3.31Å; Y405-R407 PolarHBondContact O-N 3.4Å; R407-H410 PolarHBondContact O-N 3.31Å; R407-Q411 WeakPolarHBondContact O-CG 3.12Å; R407-Q411 PolarHBondContact O-N 3.1Å; R407-L423 HydrophobicContact CB-CD2 4.38Å
408K92.8Very high90.5Very high70 Ų7061.2 Ų61.230%0.30428%0.278SS..Hα-helixtrans-66.9-42.2173.3-74.6-73169.4-162.90112.3W386 Y404 Y405 Y406 H410 Q411 L412W386-K408 HydrophobicContact CD2-CB 3.91Å; W386-K408 HydrophobicContact CE3-CB 3.87Å; W386-K408 HydrophobicContact CE3-CG 4.37Å; W386-K408 HydrophobicContact CG-CB 4.28Å; W386-K408 HydrophobicContact CZ3-CB 4.3Å; W386-K408 HydrophobicContact CZ3-CG 4.31Å; Y404-K408 HydrophobicContact CE1-CG 4.35Å; Y404-K408 PolarHBondContact O-N 3.23Å; Y404-K408 VanDerWaalsContact O-N 3.14Å; Y405-K408 WeakPolarHBondContact O-CB 3.36Å; Y405-K408 PolarHBondContact O-N 3.4Å; Y406-K408 VanDerWaalsContact C-N 3.29Å; Y406-K408 PolarHBondContact O-N 3.05Å; K408-H410 PolarHBondContact O-N 3.19Å; K408-Q411 VanDerWaalsContact NZ-OE1 3.08Å; K408-Q411 PolarHBondContact O-N 3.31Å; K408-L412 PolarHBondContact O-N 3.42Å
409A92.3Very high90.4Very high0 Ų057.8 Ų57.80%026%0.262CS..Hα-helixtrans-59.4-46.6173.500000111.4W386 Y405 Y406 Q411 L412 R413 M419W386-A409 HydrophobicContact CB-CB 3.85Å; Y405-A409 PolarHBondContact O-N 3.44Å; Y406-A409 PolarHBondContact O-N 3.35Å; A409-Q411 VanDerWaalsContact C-N 3.34Å; A409-Q411 PolarHBondContact O-N 2.91Å; A409-L412 WeakPolarHBondContact O-CB 3.47Å; A409-L412 PolarHBondContact O-N 3.33Å; A409-R413 PolarHBondContact O-N 3.22Å; A409-R413 VanDerWaalsContact O-N 3.08Å; A409-M419 HydrophobicContact CB-CE 4.25Å; A409-M419 HydrophobicContact CB-SD 3.84Å
410H91.1Very high90.4Very high24 Ų2456.4 Ų56.411%0.11125%0.252CS..Hα-helixtrans-64.3-34179.2178.263.3000113.5Y406 R407 K408 L412 R413 P414 M419 L420 L423Y406-H410 WeakPolarHBondContact O-CB 3.12Å; Y406-H410 PolarHBondContact O-N 3.43Å; R407-H410 PolarHBondContact O-N 3.31Å; K408-H410 PolarHBondContact O-N 3.19Å; H410-L412 PolarHBondContact O-N 3.44Å; H410-R413 CarbonylContact O-C 3.53Å; H410-R413 PolarHBondContact O-N 2.94Å; H410-P414 PolarHBondContact CE1-O 3.25Å; H410-P414 VanDerWaalsContact CE1-O 3.25Å; H410-P414 WeakPolarHBondContact O-CA 2.97Å; H410-P414 VanDerWaalsContact O-N 3.1Å; H410-M419 HydrophobicContact CB-CB 4.37Å; H410-L420 WeakPolarHBondContact CE1-CD2 3.22Å; H410-L423 HydrophobicContact CB-CD1 3.85Å
411Q89Confident90.5Very high104 Ų10449.3 Ų49.349%0.48622%0.221SC..Hα-helixtrans-60.2-31.6172.9-77.4174.3-5.400112.4R407 K408 A409R407-Q411 WeakPolarHBondContact O-CG 3.12Å; R407-Q411 PolarHBondContact O-N 3.1Å; K408-Q411 VanDerWaalsContact NZ-OE1 3.08Å; K408-Q411 PolarHBondContact O-N 3.31Å; A409-Q411 VanDerWaalsContact C-N 3.34Å; A409-Q411 PolarHBondContact O-N 2.91Å
412L84.4Confident90.4Very high59 Ų5943 Ų4331%0.30920%0.197SC..Hα-helixtrans-82.3-34.5178.7-62.2167.1000112R381 W386 K408 A409 H410R381-L412 HydrophobicContact CB-CD2 4.47Å; W386-L412 HydrophobicContact CG-CD1 4.39Å; K408-L412 PolarHBondContact O-N 3.42Å; A409-L412 WeakPolarHBondContact O-CB 3.47Å; A409-L412 PolarHBondContact O-N 3.33Å; H410-L412 PolarHBondContact O-N 3.44Å
413R82.8Confident90.4Very high44 Ų4443.3 Ų43.317%0.16620%0.198CC..  trans-128.284.7174.7-70.4-66.8-162.8160.36.1111Q226 Y383 A409 H410 N415 D416 M419Q226-R413 VanDerWaalsContact CD-NH1 3.34Å; Q226-R413 VanDerWaalsContact CG-CZ 3.5Å; Y383-R413 HydrophobicContact CD1-CG 3.87Å; Y383-R413 HydrophobicContact CE1-CG 4.39Å; Y383-R413 HydrophobicContact CG-CG 3.98Å; A409-R413 PolarHBondContact O-N 3.22Å; A409-R413 VanDerWaalsContact O-N 3.08Å; H410-R413 CarbonylContact O-C 3.53Å; H410-R413 PolarHBondContact O-N 2.94Å; R413-N415 PolarHBondContact O-N 3.29Å; R413-D416 HydrophobicContact CB-CB 4.04Å; R413-D416 PolarHBondContact O-N 3.36Å; R413-M419 HydrophobicContact CB-CE 3.78Å; R413-M419 HydrophobicContact CB-SD 3.88Å; R413-M419 HydrophobicContact CG-CE 4.13Å
414P85.4Confident90.4Very high56 Ų5642 Ų4236%0.36419%0.192SC..THydrogen-bonded Turntrans-64.9-24179.7-23.634.8000113.6H410H410-P414 PolarHBondContact CE1-O 3.25Å; H410-P414 VanDerWaalsContact CE1-O 3.25Å; H410-P414 WeakPolarHBondContact O-CA 2.97Å; H410-P414 VanDerWaalsContact O-N 3.1Å
415N83.6Confident90.3Very high132 Ų13238.4 Ų38.471%0.70618%0.179SC*.THydrogen-bonded Turntrans-103.215.5-173.7-58.1-9.8000113.2R413 V446R413-N415 PolarHBondContact O-N 3.29Å; N415-V446 HydrophobicContact CB-CG1 4.07Å; N415-V446 WeakPolarHBondContact O-CG1 3.44Å
416D85.8Confident90.2Very high19 Ų1937.1 Ų37.110%0.10218%0.175CC..  trans-95.9118.6173.1-167.3-21.6000109.9R413 R418 M419R413-D416 HydrophobicContact CB-CB 4.04Å; R413-D416 PolarHBondContact O-N 3.36Å; D416-R418 VanDerWaalsContact C-N 3.32Å; D416-R418 PolarHBondContact O-N 2.97Å; D416-R418 WeakPolarHBondContact OD1-CB 3.47Å; D416-R418 PolarHBondContact OD1-N 3.48Å; D416-R418 VanDerWaalsContact OD1-N 3.09Å; D416-R418 IonicContact OD1-NE 2.77Å; D416-R418 PolarHBondContact OD1-NE 3.49Å; D416-R418 IonicContact OD1-NH2 2.76Å; D416-R418 IonicContact OD2-CZ 3.15Å; D416-R418 IonicContact OD2-NE 3.88Å; D416-R418 IonicContact OD2-NH2 2.6Å; D416-R418 PolarHBondContact OD2-NH2 2.92Å; D416-M419 HydrophobicContact CB-CE 4.32Å; D416-M419 HydrophobicContact CB-CG 4.27Å; D416-M419 HydrophobicContact CB-SD 4.29Å
417S88.4Confident90.2Very high2 Ų238.6 Ų38.61%0.01418%0.181CC..Hα-helixtrans-65-34.2-178.973.60000112.3M419 L420 V421 D448 V449S417-M419 VanDerWaalsContact C-N 3.3Å; S417-M419 PolarHBondContact O-N 3.02Å; S417-L420 WeakPolarHBondContact O-CB 3.41Å; S417-L420 PolarHBondContact O-N 3.1Å; S417-L420 VanDerWaalsContact O-N 3.1Å; S417-V421 WeakPolarHBondContact O-CG2 3.46Å; S417-V421 PolarHBondContact O-N 2.61Å; S417-D448 PolarHBondContact OG-OD1 3.15Å; S417-V449 PolarHBondContact OG-N 2.96Å
418R88.6Confident90.1Very high43 Ų4334.3 Ų34.316%0.16217%0.167CC..Hα-helixtrans-62.7-37.6-176.1-64.7177.2-64.5165.62.6112.5R261 D416 V421 A422 E450R261-R418 VanDerWaalsContact NH1-NE 3.12Å; R261-R418 VanDerWaalsContact NH2-NH1 3.12Å; D416-R418 VanDerWaalsContact C-N 3.32Å; D416-R418 PolarHBondContact O-N 2.97Å; D416-R418 WeakPolarHBondContact OD1-CB 3.47Å; D416-R418 PolarHBondContact OD1-N 3.48Å; D416-R418 VanDerWaalsContact OD1-N 3.09Å; D416-R418 IonicContact OD1-NE 2.77Å; D416-R418 PolarHBondContact OD1-NE 3.49Å; D416-R418 IonicContact OD1-NH2 2.76Å; D416-R418 IonicContact OD2-CZ 3.15Å; D416-R418 IonicContact OD2-NE 3.88Å; D416-R418 IonicContact OD2-NH2 2.6Å; D416-R418 PolarHBondContact OD2-NH2 2.92Å; R418-V421 PolarHBondContact O-N 3.47Å; R418-A422 WeakPolarHBondContact O-CB 3.38Å; R418-A422 PolarHBondContact O-N 3.5Å; R418-E450 VanDerWaalsContact CD-OE1 3.24Å; R418-E450 WeakPolarHBondContact CD-OE1 3.48Å; R418-E450 HydrophobicContact CG-CG 4.47Å; R418-E450 WeakPolarHBondContact CG-OE1 3.38Å
419M90.9Very high90.1Very high2 Ų236.5 Ų36.51%0.0118%0.176CC..Hα-helixtrans-68.4-38.7177.3-61.9-177.5-172.800111.6Y383 Y387 A409 H410 R413 D416 S417 A422 L423Y383-M419 HydrophobicContact CD2-CE 3.09Å; Y383-M419 HydrophobicContact CE2-CE 3.8Å; Y383-M419 HydrophobicContact CG-CE 3.64Å; Y387-M419 HydrophobicContact CD2-CG 4.29Å; A409-M419 HydrophobicContact CB-CE 4.25Å; A409-M419 HydrophobicContact CB-SD 3.84Å; H410-M419 HydrophobicContact CB-CB 4.37Å; R413-M419 HydrophobicContact CB-CE 3.78Å; R413-M419 HydrophobicContact CB-SD 3.88Å; R413-M419 HydrophobicContact CG-CE 4.13Å; D416-M419 HydrophobicContact CB-CE 4.32Å; D416-M419 HydrophobicContact CB-CG 4.27Å; D416-M419 HydrophobicContact CB-SD 4.29Å; S417-M419 VanDerWaalsContact C-N 3.3Å; S417-M419 PolarHBondContact O-N 3.02Å; M419-A422 PolarHBondContact O-N 3.5Å; M419-L423 WeakPolarHBondContact O-CB 3.38Å; M419-L423 WeakPolarHBondContact O-CG 3.42Å; M419-L423 PolarHBondContact O-N 3.3Å
420L92.8Very high90.1Very high4 Ų437.9 Ų37.92%0.02118%0.183CC..Hα-helixtrans-68.7-38.7177.4-72.8169.1000111.5H410 S417 L423 G424 R442 A443 V446H410-L420 WeakPolarHBondContact CE1-CD2 3.22Å; S417-L420 WeakPolarHBondContact O-CB 3.41Å; S417-L420 PolarHBondContact O-N 3.1Å; S417-L420 VanDerWaalsContact O-N 3.1Å; L420-L423 PolarHBondContact O-N 3.08Å; L420-G424 PolarHBondContact O-N 3.39Å; L420-R442 HydrophobicContact CD1-CB 4.28Å; L420-R442 HydrophobicContact CD1-CG 3.86Å; L420-R442 HydrophobicContact CD2-CG 4.47Å; L420-A443 HydrophobicContact CB-CB 3.65Å; L420-A443 HydrophobicContact CD1-CB 4.34Å; L420-V446 HydrophobicContact CD1-CG2 4.27Å
421V92.9Very high90.1Very high4 Ų441.4 Ų41.42%0.02421%0.211CC..Hα-helixtrans-62.4-48.5172.9172.20000110.6S417 R418 L423 G424 E425 Y440 A443 A453 K456S417-V421 WeakPolarHBondContact O-CG2 3.46Å; S417-V421 PolarHBondContact O-N 2.61Å; R418-V421 PolarHBondContact O-N 3.47Å; V421-L423 VanDerWaalsContact C-N 3.31Å; V421-L423 PolarHBondContact O-N 3.35Å; V421-G424 WeakPolarHBondContact O-CA 3.33Å; V421-G424 PolarHBondContact O-N 3.04Å; V421-E425 PolarHBondContact O-N 3.29Å; V421-Y440 HydrophobicContact CG1-CE1 4.44Å; V421-A443 HydrophobicContact CG2-CB 3.91Å; V421-A453 HydrophobicContact CG2-CB 3.9Å; V421-K456 HydrophobicContact CG1-CD 3.84Å
422A92.6Very high90.3Very high2 Ų240.6 Ų40.62%0.01721%0.207CC..Hα-helixtrans-64.1-34.2178.700000112.9Y387 Y406 R418 M419 S426Y387-A422 HydrophobicContact CE2-CB 4.02Å; Y406-A422 HydrophobicContact CD1-CB 4.39Å; Y406-A422 HydrophobicContact CD2-CB 3.91Å; Y406-A422 HydrophobicContact CE1-CB 4.12Å; Y406-A422 HydrophobicContact CE2-CB 3.59Å; Y406-A422 HydrophobicContact CG-CB 4.31Å; R418-A422 WeakPolarHBondContact O-CB 3.38Å; R418-A422 PolarHBondContact O-N 3.5Å; M419-A422 PolarHBondContact O-N 3.5Å; A422-S426 WeakPolarHBondContact O-CB 3.44Å; A422-S426 PolarHBondContact O-N 2.88Å; A422-S426 PolarHBondContact O-OG 3.03Å
423L93.8Very high90.6Very high8 Ų841 Ų414%0.04221%0.208CC..Hα-helixtrans-63.6-45.9169-79.7172.5000111.6L403 R407 H410 M419 L420 V421 E425 S426 Y427L403-L423 HydrophobicContact CD1-CD2 3.67Å; R407-L423 HydrophobicContact CB-CD2 4.38Å; H410-L423 HydrophobicContact CB-CD1 3.85Å; M419-L423 WeakPolarHBondContact O-CB 3.38Å; M419-L423 WeakPolarHBondContact O-CG 3.42Å; M419-L423 PolarHBondContact O-N 3.3Å; L420-L423 PolarHBondContact O-N 3.08Å; V421-L423 VanDerWaalsContact C-N 3.31Å; V421-L423 PolarHBondContact O-N 3.35Å; L423-E425 VanDerWaalsContact C-N 3.34Å; L423-E425 PolarHBondContact O-N 3.04Å; L423-S426 WeakPolarHBondContact O-CB 3.42Å; L423-S426 PolarHBondContact O-N 2.61Å; L423-Y427 HydrophobicContact CB-CE2 4.49Å; L423-Y427 WeakPolarHBondContact O-CD2 3.08Å; L423-Y427 PolarHBondContact O-N 2.95Å
424G93.2Very high91.1Very high0 Ų043.6 Ų43.60%023%0.228CC..Hα-helixtrans-57.3-45.8176.800000112.2L420 V421 S426 Y427 E428 Y440L420-G424 PolarHBondContact O-N 3.39Å; V421-G424 WeakPolarHBondContact O-CA 3.33Å; V421-G424 PolarHBondContact O-N 3.04Å; G424-S426 VanDerWaalsContact C-N 3.32Å; G424-S426 PolarHBondContact O-N 2.81Å; G424-Y427 PolarHBondContact O-N 3.43Å; G424-E428 PolarHBondContact O-N 3.41Å; G424-Y440 VanDerWaalsContact C-OH 3.3Å
425E92.6Very high91.5Very high54 Ų5444.3 Ų44.325%0.25223%0.227SC..Hα-helixtrans-63.8-38.3176-70.4-178.4137.600112.2V421 L423 Y427 E428 K429 Y440 K456V421-E425 PolarHBondContact O-N 3.29Å; L423-E425 VanDerWaalsContact C-N 3.34Å; L423-E425 PolarHBondContact O-N 3.04Å; E425-Y427 VanDerWaalsContact C-N 3.35Å; E425-E428 PolarHBondContact O-N 2.9Å; E425-K429 WeakPolarHBondContact O-CG 3.43Å; E425-K429 PolarHBondContact O-N 3.45Å; E425-Y440 WeakPolarHBondContact CA-OH 3.35Å; E425-Y440 HydrophobicContact CG-CE1 4.49Å; E425-Y440 WeakPolarHBondContact CG-OH 3.46Å; E425-Y440 PolarHBondContact N-OH 2.88Å; E425-K456 HydrophobicContact CG-CD 4.17Å; E425-K456 VanDerWaalsContact OE1-CE 3.22Å; E425-K456 WeakPolarHBondContact OE1-CE 3.24Å; E425-K456 IonicContact OE1-NZ 3.24Å; E425-K456 PolarHBondContact OE1-NZ 3.06Å; E425-K456 IonicContact OE2-NZ 3.54Å
426S93.3Very high92Very high1 Ų138 Ų381%0.00719%0.193CC..Hα-helixtrans-65.2-39.8175.7-610000111.6C402 Y406 A422 L423 G424 K429 L430C402-S426 PolarHBondContact SG-OG 3.39Å; C402-S426 VanDerWaalsContact SG-OG 3.39Å; Y406-S426 WeakPolarHBondContact CD2-OG 3.44Å; A422-S426 WeakPolarHBondContact O-CB 3.44Å; A422-S426 PolarHBondContact O-N 2.88Å; A422-S426 PolarHBondContact O-OG 3.03Å; L423-S426 WeakPolarHBondContact O-CB 3.42Å; L423-S426 PolarHBondContact O-N 2.61Å; G424-S426 VanDerWaalsContact C-N 3.32Å; G424-S426 PolarHBondContact O-N 2.81Å; S426-K429 PolarHBondContact O-N 3.14Å; S426-L430 WeakPolarHBondContact O-CG 3.33Å; S426-L430 PolarHBondContact O-N 3.12Å
427Y93.9Very high92.4Very high33 Ų3339 Ų3913%0.12920%0.196CC..Hα-helixtrans-68.3-37.9174.7-77.9-60.5000112.7L403 L423 G424 E425 L430 S431 Q432 E435L403-Y427 HydrophobicContact CD1-CD1 4.05Å; L403-Y427 HydrophobicContact CD1-CD2 4.05Å; L403-Y427 HydrophobicContact CD1-CE1 3.68Å; L403-Y427 HydrophobicContact CD1-CE2 3.65Å; L403-Y427 HydrophobicContact CD1-CG 4.23Å; L403-Y427 VanDerWaalsContact CD1-CZ 3.46Å; L403-Y427 HydrophobicContact CD2-CD1 4.32Å; L403-Y427 HydrophobicContact CD2-CE1 3.7Å; L403-Y427 HydrophobicContact CG-CE1 4.33Å; L423-Y427 HydrophobicContact CB-CE2 4.49Å; L423-Y427 WeakPolarHBondContact O-CD2 3.08Å; L423-Y427 PolarHBondContact O-N 2.95Å; G424-Y427 PolarHBondContact O-N 3.43Å; E425-Y427 VanDerWaalsContact C-N 3.35Å; Y427-L430 CarbonylContact O-C 3.53Å; Y427-L430 WeakPolarHBondContact O-CA 3.33Å; Y427-L430 PolarHBondContact O-N 3.16Å; Y427-L430 VanDerWaalsContact O-N 3.11Å; Y427-S431 PolarHBondContact O-N 3.22Å; Y427-Q432 HydrophobicContact CD1-CB 3.97Å; Y427-Q432 VanDerWaalsContact CD1-OE1 3.25Å; Y427-Q432 VanDerWaalsContact CE1-OE1 3.28Å; Y427-Q432 PolarHBondContact O-N 3.43Å; Y427-E435 HydrophobicContact CD1-CB 4.08Å; Y427-E435 HydrophobicContact CD2-CB 4.32Å; Y427-E435 HydrophobicContact CE1-CB 4.14Å; Y427-E435 HydrophobicContact CE2-CB 4.4Å; Y427-E435 HydrophobicContact CG-CB 4.17Å
428E92.4Very high92.6Very high60 Ų6044.5 Ų44.528%0.2822%0.22SC..Hα-helixtrans-60.7-45174.1-172.5176.9168.400111G424 E425 L430 S431 Y440 L460 Q463G424-E428 PolarHBondContact O-N 3.41Å; E425-E428 PolarHBondContact O-N 2.9Å; E428-L430 PolarHBondContact O-N 3.3Å; E428-S431 PolarHBondContact O-N 3.28Å; E428-Y440 PolarHBondContact OE2-OH 3.44Å; E428-L460 HydrophobicContact CG-CD1 4.2Å; E428-Q463 PolarHBondContact OE1-NE2 3.14Å; E428-Q463 VanDerWaalsContact OE1-NE2 3.12Å
429K91.5Very high92.8Very high116 Ų11643.2 Ų43.250%0.50422%0.217SC..Hα-helixtrans-63.3-23.7174-69.6173-171.3176.20113.7E394 P399 E425 S426E394-K429 IonicContact OE1-NZ 2.8Å; E394-K429 PolarHBondContact OE1-NZ 2.92Å; P399-K429 HydrophobicContact CB-CB 4.26Å; E425-K429 WeakPolarHBondContact O-CG 3.43Å; E425-K429 PolarHBondContact O-N 3.45Å; S426-K429 PolarHBondContact O-N 3.14Å
430L92.4Very high93Very high28 Ų2843.1 Ų43.115%0.14722%0.217CC..THydrogen-bonded Turntrans-91.24.3174.8-68.7172000113.1P399 F400 L403 S426 Y427 E428 Q432P399-L430 HydrophobicContact CB-CD2 3.75Å; P399-L430 HydrophobicContact CB-CG 3.92Å; P399-L430 HydrophobicContact CG-CD2 3.61Å; P399-L430 HydrophobicContact CG-CG 4.3Å; F400-L430 HydrophobicContact CD1-CD1 4.39Å; F400-L430 HydrophobicContact CD1-CD2 4.01Å; F400-L430 HydrophobicContact CD2-CD2 3.88Å; F400-L430 HydrophobicContact CE1-CD1 4.48Å; F400-L430 HydrophobicContact CE1-CD2 3.8Å; F400-L430 HydrophobicContact CE2-CD2 3.65Å; F400-L430 HydrophobicContact CG-CD2 4.05Å; F400-L430 HydrophobicContact CZ-CD2 3.61Å; L403-L430 HydrophobicContact CB-CD1 4.47Å; L403-L430 HydrophobicContact CD2-CD1 3.91Å; S426-L430 WeakPolarHBondContact O-CG 3.33Å; S426-L430 PolarHBondContact O-N 3.12Å; Y427-L430 CarbonylContact O-C 3.53Å; Y427-L430 WeakPolarHBondContact O-CA 3.33Å; Y427-L430 PolarHBondContact O-N 3.16Å; Y427-L430 VanDerWaalsContact O-N 3.11Å; E428-L430 PolarHBondContact O-N 3.3Å; L430-Q432 HydrophobicContact CB-CG 4.29Å; L430-Q432 PolarHBondContact O-N 3.34Å
431S91.1Very high92.9Very high99 Ų9951 Ų5169%0.69225%0.246SC*.THydrogen-bonded Turntrans58.521-173.9-52.30000114.2Y427 E428 Q433Y427-S431 PolarHBondContact O-N 3.22Å; E428-S431 PolarHBondContact O-N 3.28Å; S431-Q433 PolarHBondContact O-N 3.33Å
432Q93.2Very high92.9Very high87 Ų8756.4 Ų56.441%0.40727%0.266SS..  trans-91.970.1176.6-68.1-172.3-3.800110.4Y427 L430 V434 E435 A436Y427-Q432 HydrophobicContact CD1-CB 3.97Å; Y427-Q432 VanDerWaalsContact CD1-OE1 3.25Å; Y427-Q432 VanDerWaalsContact CE1-OE1 3.28Å; Y427-Q432 PolarHBondContact O-N 3.43Å; L430-Q432 HydrophobicContact CB-CG 4.29Å; L430-Q432 PolarHBondContact O-N 3.34Å; Q432-V434 PolarHBondContact O-N 3.3Å; Q432-E435 PolarHBondContact O-N 3.31Å; Q432-A436 PolarHBondContact O-N 3.23Å; Q432-A436 VanDerWaalsContact O-N 3.11Å
433Q92.3Very high92.8Very high67 Ų6756.3 Ų56.331%0.31327%0.266SS..Hα-helixtrans-66.1-35.1-168.3-62.4172.8-42.800113.8S431 E435 A436 K437 L460 L464S431-Q433 PolarHBondContact O-N 3.33Å; Q433-E435 PolarHBondContact O-N 2.99Å; Q433-A436 PolarHBondContact O-N 3.37Å; Q433-K437 WeakPolarHBondContact O-CG 3.23Å; Q433-K437 PolarHBondContact O-N 3.06Å; Q433-L460 HydrophobicContact CB-CD1 4.45Å; Q433-L460 HydrophobicContact CG-CD1 4.18Å; Q433-L464 HydrophobicContact CB-CD1 4.19Å
434V93Very high92.6Very high98 Ų9859.3 Ų59.359%0.59428%0.277SS*.Hα-helixtrans-62.9-43.6179.3177.90000111.5Q432 K438Q432-V434 PolarHBondContact O-N 3.3Å; V434-K438 WeakPolarHBondContact O-CG 3.49Å; V434-K438 PolarHBondContact O-N 3.33Å
435E93.4Very high92.4Very high72 Ų7262.9 Ų62.934%0.33630%0.302SS..Hα-helixtrans-73.5-34.7178.7-63.4-55135.300111.6Y427 Q432 Q433 K438 C439Y427-E435 HydrophobicContact CD1-CB 4.08Å; Y427-E435 HydrophobicContact CD2-CB 4.32Å; Y427-E435 HydrophobicContact CE1-CB 4.14Å; Y427-E435 HydrophobicContact CE2-CB 4.4Å; Y427-E435 HydrophobicContact CG-CB 4.17Å; Q432-E435 PolarHBondContact O-N 3.31Å; Q433-E435 PolarHBondContact O-N 2.99Å; E435-K438 PolarHBondContact O-N 3.18Å; E435-K438 IonicContact OE1-NZ 3.64Å; E435-K438 PolarHBondContact OE1-NZ 3.43Å; E435-K438 IonicContact OE2-NZ 3.8Å; E435-C439 PolarHBondContact O-N 3.42Å; E435-C439 PolarHBondContact O-SG 3.28Å
436A94.3Very high92.1Very high0 Ų062.6 Ų62.60%030%0.304CS..Hα-helixtrans-58.9-46.6172.400000111.9Q432 Q433 K438 C439 Y440 L460Q432-A436 PolarHBondContact O-N 3.23Å; Q432-A436 VanDerWaalsContact O-N 3.11Å; Q433-A436 PolarHBondContact O-N 3.37Å; A436-K438 PolarHBondContact O-N 2.79Å; A436-C439 PolarHBondContact O-N 3.24Å; A436-C439 VanDerWaalsContact O-N 3.14Å; A436-Y440 HydrophobicContact CB-CE2 4.35Å; A436-Y440 VanDerWaalsContact O-CD2 3.32Å; A436-Y440 WeakPolarHBondContact O-CD2 3.48Å; A436-Y440 PolarHBondContact O-N 2.91Å; A436-L460 HydrophobicContact CB-CD2 3.74Å
437K93.6Very high91.5Very high39 Ų3964.6 Ų64.617%0.1733%0.325CS..Hα-helixtrans-56.3-47.6175.3-72.5-178.3-175.2178.10112Q433 C439 Y440 W441 L457 L460 E466Q433-K437 WeakPolarHBondContact O-CG 3.23Å; Q433-K437 PolarHBondContact O-N 3.06Å; K437-C439 VanDerWaalsContact C-N 3.3Å; K437-C439 PolarHBondContact O-N 3.36Å; K437-Y440 PolarHBondContact O-N 3.49Å; K437-W441 WeakPolarHBondContact O-CB 3.46Å; K437-W441 PolarHBondContact O-N 3.26Å; K437-L457 HydrophobicContact CB-CD1 4Å; K437-L457 HydrophobicContact CG-CD1 3.94Å; K437-L460 HydrophobicContact CG-CD2 3.65Å; K437-L460 HydrophobicContact CG-CG 4.44Å; K437-E466 IonicContact NZ-OE1 2.67Å; K437-E466 PolarHBondContact NZ-OE1 3.46Å; K437-E466 IonicContact NZ-OE2 3.22Å; K437-E466 PolarHBondContact NZ-OE2 3.48Å
438K93.4Very high90.7Very high117 Ų11764.1 Ų64.151%0.50932%0.324SS..Hα-helixtrans-59.4-41.5177.3-69.5174.7-173167.80111.8V434 E435 A436 R442V434-K438 WeakPolarHBondContact O-CG 3.49Å; V434-K438 PolarHBondContact O-N 3.33Å; E435-K438 PolarHBondContact O-N 3.18Å; E435-K438 IonicContact OE1-NZ 3.64Å; E435-K438 PolarHBondContact OE1-NZ 3.43Å; E435-K438 IonicContact OE2-NZ 3.8Å; A436-K438 PolarHBondContact O-N 2.79Å; K438-R442 VanDerWaalsContact O-CB 3.29Å; K438-R442 WeakPolarHBondContact O-CB 3.11Å; K438-R442 PolarHBondContact O-N 2.91Å
439C93.2Very high89.8Confident16 Ų1666 Ų6611%0.10834%0.339CS..Hα-helixtrans-65.3-47.3178.9-67.90000111.9E435 A436 K437 R442 A443E435-C439 PolarHBondContact O-N 3.42Å; E435-C439 PolarHBondContact O-SG 3.28Å; A436-C439 PolarHBondContact O-N 3.24Å; A436-C439 VanDerWaalsContact O-N 3.14Å; K437-C439 VanDerWaalsContact C-N 3.3Å; K437-C439 PolarHBondContact O-N 3.36Å; C439-R442 PolarHBondContact O-N 3.33Å; C439-A443 WeakPolarHBondContact O-CB 3.28Å; C439-A443 PolarHBondContact O-N 3.46Å
440Y93.8Very high89Confident0 Ų065 Ų650%034%0.336CS..Hα-helixtrans-65.8-41.2178.5-64-44.2000112.4V421 G424 E425 E428 A436 K437 R442 A443 Y444 K456 L457 L460V421-Y440 HydrophobicContact CG1-CE1 4.44Å; G424-Y440 VanDerWaalsContact C-OH 3.3Å; E425-Y440 WeakPolarHBondContact CA-OH 3.35Å; E425-Y440 HydrophobicContact CG-CE1 4.49Å; E425-Y440 WeakPolarHBondContact CG-OH 3.46Å; E425-Y440 PolarHBondContact N-OH 2.88Å; E428-Y440 PolarHBondContact OE2-OH 3.44Å; A436-Y440 HydrophobicContact CB-CE2 4.35Å; A436-Y440 VanDerWaalsContact O-CD2 3.32Å; A436-Y440 WeakPolarHBondContact O-CD2 3.48Å; A436-Y440 PolarHBondContact O-N 2.91Å; K437-Y440 PolarHBondContact O-N 3.49Å; Y440-R442 VanDerWaalsContact C-N 3.34Å; Y440-R442 PolarHBondContact O-N 3.04Å; Y440-A443 WeakPolarHBondContact O-CB 3.48Å; Y440-A443 PolarHBondContact O-N 3.14Å; Y440-Y444 PolarHBondContact O-N 2.61Å; Y440-K456 HydrophobicContact CD1-CB 4.22Å; Y440-K456 HydrophobicContact CD2-CB 4.4Å; Y440-K456 HydrophobicContact CE1-CB 3.85Å; Y440-K456 HydrophobicContact CE1-CD 3.98Å; Y440-K456 HydrophobicContact CE2-CB 4.03Å; Y440-K456 HydrophobicContact CG-CB 4.49Å; Y440-L457 HydrophobicContact CD2-CB 4.41Å; Y440-L457 HydrophobicContact CD2-CD1 4.46Å; Y440-L457 HydrophobicContact CG-CB 4.5Å; Y440-L460 HydrophobicContact CD2-CD2 4.25Å; Y440-L460 HydrophobicContact CE2-CD2 4.13Å
441W91.5Very high88.5Confident169 Ų16966 Ų6664%0.6434%0.34SS*.Hα-helixtrans-64.3-40.4176.2-16382.6000111.8K437 Y444 S445 L457K437-W441 WeakPolarHBondContact O-CB 3.46Å; K437-W441 PolarHBondContact O-N 3.26Å; W441-Y444 PolarHBondContact O-N 3Å; W441-S445 PolarHBondContact O-N 3.15Å; W441-L457 HydrophobicContact CB-CD2 4.42Å
442R92.1Very high88.1Confident118 Ų11862.7 Ų62.745%0.44531%0.314SS..Hα-helixtrans-64.3-40.9172.9-170.1176.2177.7171.9-0.9111.8L420 K438 C439 Y440 Y444 S445 V446L420-R442 HydrophobicContact CD1-CB 4.28Å; L420-R442 HydrophobicContact CD1-CG 3.86Å; L420-R442 HydrophobicContact CD2-CG 4.47Å; K438-R442 VanDerWaalsContact O-CB 3.29Å; K438-R442 WeakPolarHBondContact O-CB 3.11Å; K438-R442 PolarHBondContact O-N 2.91Å; C439-R442 PolarHBondContact O-N 3.33Å; Y440-R442 VanDerWaalsContact C-N 3.34Å; Y440-R442 PolarHBondContact O-N 3.04Å; R442-Y444 VanDerWaalsContact C-N 3.27Å; R442-Y444 PolarHBondContact O-N 2.65Å; R442-S445 WeakPolarHBondContact CA-OG 3.41Å; R442-S445 PolarHBondContact O-N 3.1Å; R442-S445 PolarHBondContact O-OG 2.96Å; R442-V446 HydrophobicContact CG-CG2 4.45Å; R442-V446 WeakPolarHBondContact O-CG2 3.49Å; R442-V446 PolarHBondContact O-N 2.73Å; R442-V446 VanDerWaalsContact O-N 3.15Å
443A91.4Very high87.9Confident0 Ų058.6 Ų58.60%030%0.295CS..Hα-helixtrans-57.9-42.4176.600000111.6L420 V421 C439 Y440 A453L420-A443 HydrophobicContact CB-CB 3.65Å; L420-A443 HydrophobicContact CD1-CB 4.34Å; V421-A443 HydrophobicContact CG2-CB 3.91Å; C439-A443 WeakPolarHBondContact O-CB 3.28Å; C439-A443 PolarHBondContact O-N 3.46Å; Y440-A443 WeakPolarHBondContact O-CB 3.48Å; Y440-A443 PolarHBondContact O-N 3.14Å; A443-A453 HydrophobicContact CB-CB 3.78Å
444Y89.7Confident87.7Confident71 Ų7155.8 Ų55.828%0.27828%0.282SS..Hα-helixtrans-62.4-48.1173.7172.9-115.3000112.3Y440 W441 R442 V446 G447 L454 D480Y440-Y444 PolarHBondContact O-N 2.61Å; W441-Y444 PolarHBondContact O-N 3Å; R442-Y444 VanDerWaalsContact C-N 3.27Å; R442-Y444 PolarHBondContact O-N 2.65Å; Y444-V446 PolarHBondContact O-N 3.02Å; Y444-V446 VanDerWaalsContact O-N 3.17Å; Y444-G447 PolarHBondContact O-N 3.17Å; Y444-L454 HydrophobicContact CD1-CD2 3.96Å; Y444-L454 HydrophobicContact CD2-CD1 3.63Å; Y444-L454 HydrophobicContact CD2-CD2 3.87Å; Y444-L454 HydrophobicContact CD2-CG 3.57Å; Y444-L454 HydrophobicContact CE1-CD2 4.34Å; Y444-L454 HydrophobicContact CE2-CD1 3.52Å; Y444-L454 HydrophobicContact CE2-CD2 4.29Å; Y444-L454 HydrophobicContact CE2-CG 4.01Å; Y444-L454 HydrophobicContact CG-CD1 4.32Å; Y444-L454 HydrophobicContact CG-CD2 3.7Å; Y444-L454 HydrophobicContact CG-CG 3.9Å; Y444-D480 WeakPolarHBondContact CE2-OD2 3.35Å; Y444-D480 PolarHBondContact OH-OD2 3.27Å
445S88.3Confident87.5Confident75 Ų7551.3 Ų51.352%0.52425%0.254SS..Hα-helixtrans-60.4-28.5-178.370.30000114.7W441 R442 G447W441-S445 PolarHBondContact O-N 3.15Å; R442-S445 WeakPolarHBondContact CA-OG 3.41Å; R442-S445 PolarHBondContact O-N 3.1Å; R442-S445 PolarHBondContact O-OG 2.96Å; S445-G447 VanDerWaalsContact C-N 3.3Å
446V85.8Confident87.3Confident49 Ų4949.8 Ų49.830%0.29725%0.247SC..THydrogen-bonded Turntrans-80.5-14.1-179.6169.70000112.1N415 L420 R442 Y444N415-V446 HydrophobicContact CB-CG1 4.07Å; N415-V446 WeakPolarHBondContact O-CG1 3.44Å; L420-V446 HydrophobicContact CD1-CG2 4.27Å; R442-V446 HydrophobicContact CG-CG2 4.45Å; R442-V446 WeakPolarHBondContact O-CG2 3.49Å; R442-V446 PolarHBondContact O-N 2.73Å; R442-V446 VanDerWaalsContact O-N 3.15Å; Y444-V446 PolarHBondContact O-N 3.02Å; Y444-V446 VanDerWaalsContact O-N 3.17Å
447G81.4Confident87.2Confident43 Ų4350 Ų5044%0.44325%0.248SC..  trans98.2100.9-173.100000109.9Y444 S445 V449Y444-G447 PolarHBondContact O-N 3.17Å; S445-G447 VanDerWaalsContact C-N 3.3Å; G447-V449 PolarHBondContact O-N 3.44Å
448D78.1Confident87.1Confident23 Ų2348.1 Ų48.112%0.12324%0.24CC..  trans-83.2105.5-177.9-171.815.8000111.8S417 E450 K451 M452 A453S417-D448 PolarHBondContact OG-OD1 3.15Å; D448-E450 PolarHBondContact OD1-N 3.36Å; D448-K451 VanDerWaalsContact CG-N 3.3Å; D448-K451 PolarHBondContact O-N 2.9Å; D448-K451 PolarHBondContact OD1-N 3.03Å; D448-K451 WeakPolarHBondContact OD2-CA 3.35Å; D448-K451 PolarHBondContact OD2-N 3.36Å; D448-M452 PolarHBondContact OD2-N 3.39Å; D448-A453 HydrophobicContact CB-CB 4.32Å; D448-A453 WeakPolarHBondContact OD2-CB 3.24Å; D448-A453 PolarHBondContact OD2-N 3.39Å
449V73.3Confident87Confident98 Ų9846.6 Ų46.659%0.59423%0.233SC*.SBendtrans-65.2-39.1-179.4-179.10000111.8S417 G447 K451S417-V449 PolarHBondContact OG-N 2.96Å; G447-V449 PolarHBondContact O-N 3.44Å; V449-K451 VanDerWaalsContact C-N 3.35Å
450E73.3Confident86.9Confident95 Ų9545.9 Ų45.944%0.44423%0.228SC..SBendtrans-87.5-9-178.4-69.9176.3-171.200112.1R418 D448 M452R418-E450 VanDerWaalsContact CD-OE1 3.24Å; R418-E450 WeakPolarHBondContact CD-OE1 3.48Å; R418-E450 HydrophobicContact CG-CG 4.47Å; R418-E450 WeakPolarHBondContact CG-OE1 3.38Å; D448-E450 PolarHBondContact OD1-N 3.36Å; E450-M452 HydrophobicContact CB-CG 4.11Å; E450-M452 WeakPolarHBondContact O-CE 3.41Å; E450-M452 WeakPolarHBondContact O-CG 3.09Å; E450-M452 PolarHBondContact O-N 2.86Å; E450-M452 VanDerWaalsContact O-N 3.15Å
451K81.6Confident86.9Confident49 Ų4946.6 Ų46.621%0.21323%0.231CC..SBendtrans5524.5-177-55.7176.1-176.5167.10113.7D448 V449 Y477 E486D448-K451 VanDerWaalsContact CG-N 3.3Å; D448-K451 PolarHBondContact O-N 2.9Å; D448-K451 PolarHBondContact OD1-N 3.03Å; D448-K451 WeakPolarHBondContact OD2-CA 3.35Å; D448-K451 PolarHBondContact OD2-N 3.36Å; V449-K451 VanDerWaalsContact C-N 3.35Å; K451-Y477 VanDerWaalsContact O-CE2 3.25Å; K451-Y477 WeakPolarHBondContact O-CE2 3.3Å; K451-E486 IonicContact NZ-OE2 3.31Å; K451-E486 PolarHBondContact NZ-OE2 3.41Å
452M83.9Confident86.8Confident31 Ų3141.4 Ų41.415%0.15321%0.214CC..  trans-94.8-18.9-178.3-66.7-58.9116.800114.3D448 E450 L455 K456 E492D448-M452 PolarHBondContact OD2-N 3.39Å; E450-M452 HydrophobicContact CB-CG 4.11Å; E450-M452 WeakPolarHBondContact O-CE 3.41Å; E450-M452 WeakPolarHBondContact O-CG 3.09Å; E450-M452 PolarHBondContact O-N 2.86Å; E450-M452 VanDerWaalsContact O-N 3.15Å; M452-L455 PolarHBondContact O-N 3.25Å; M452-K456 WeakPolarHBondContact O-CG 3.43Å; M452-K456 PolarHBondContact O-N 3.18Å; M452-E492 WeakPolarHBondContact CE-OE2 3.38Å
453A87.9Confident86.7Confident0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-63.8-47.6-172.500000112.5V421 A443 D448 L455 K456 L457V421-A453 HydrophobicContact CG2-CB 3.9Å; A443-A453 HydrophobicContact CB-CB 3.78Å; D448-A453 HydrophobicContact CB-CB 4.32Å; D448-A453 WeakPolarHBondContact OD2-CB 3.24Å; D448-A453 PolarHBondContact OD2-N 3.39Å; A453-L455 VanDerWaalsContact C-N 3.3Å; A453-L455 PolarHBondContact O-N 3.01Å; A453-K456 PolarHBondContact O-N 2.92Å; A453-L457 WeakPolarHBondContact O-CB 3.35Å; A453-L457 PolarHBondContact O-N 3.2Å
454L88.6Confident86.6Confident8 Ų843.3 Ų43.34%0.04223%0.23CC..Hα-helixtrans-63.5-38.1178.1-75.3178.3000112Y444 L457 A458 L476 Y477 D480Y444-L454 HydrophobicContact CD1-CD2 3.96Å; Y444-L454 HydrophobicContact CD2-CD1 3.63Å; Y444-L454 HydrophobicContact CD2-CD2 3.87Å; Y444-L454 HydrophobicContact CD2-CG 3.57Å; Y444-L454 HydrophobicContact CE1-CD2 4.34Å; Y444-L454 HydrophobicContact CE2-CD1 3.52Å; Y444-L454 HydrophobicContact CE2-CD2 4.29Å; Y444-L454 HydrophobicContact CE2-CG 4.01Å; Y444-L454 HydrophobicContact CG-CD1 4.32Å; Y444-L454 HydrophobicContact CG-CD2 3.7Å; Y444-L454 HydrophobicContact CG-CG 3.9Å; L454-L457 PolarHBondContact O-N 3.38Å; L454-A458 WeakPolarHBondContact O-CB 3.45Å; L454-A458 PolarHBondContact O-N 3.39Å; L454-L476 HydrophobicContact CD1-CB 4.19Å; L454-Y477 HydrophobicContact CB-CD2 4.28Å; L454-D480 WeakPolarHBondContact CD1-OD2 3.42Å
455L88.6Confident86.5Confident4 Ų447 Ų472%0.02125%0.254CS..Hα-helixtrans-68.2-43.4178.7-178.9144000111.8M452 A453 L457 A458 K459 Y477 E492M452-L455 PolarHBondContact O-N 3.25Å; A453-L455 VanDerWaalsContact C-N 3.3Å; A453-L455 PolarHBondContact O-N 3.01Å; L455-L457 VanDerWaalsContact C-N 3.33Å; L455-A458 PolarHBondContact O-N 2.88Å; L455-K459 HydrophobicContact CD2-CD 3.9Å; L455-K459 VanDerWaalsContact CD2-CE 3.48Å; L455-K459 WeakPolarHBondContact O-CG 3.42Å; L455-K459 PolarHBondContact O-N 3.44Å; L455-Y477 HydrophobicContact CB-CD2 4.48Å; L455-Y477 HydrophobicContact CB-CE2 4.27Å; L455-Y477 HydrophobicContact CD1-CE1 4.14Å; L455-Y477 HydrophobicContact CD1-CE2 4.47Å; L455-E492 HydrophobicContact CD1-CB 3.42Å; L455-E492 VanDerWaalsContact CD1-CB 3.42Å; L455-E492 HydrophobicContact CD1-CG 3.67Å
456K90.1Very high86.7Confident41 Ų4146.6 Ų46.618%0.17824%0.244CC..Hα-helixtrans-64.8-38.7174.2-71.4178.6-174.7174.50111.6V421 E425 Y440 M452 A453 L460V421-K456 HydrophobicContact CG1-CD 3.84Å; E425-K456 HydrophobicContact CG-CD 4.17Å; E425-K456 VanDerWaalsContact OE1-CE 3.22Å; E425-K456 WeakPolarHBondContact OE1-CE 3.24Å; E425-K456 IonicContact OE1-NZ 3.24Å; E425-K456 PolarHBondContact OE1-NZ 3.06Å; E425-K456 IonicContact OE2-NZ 3.54Å; Y440-K456 HydrophobicContact CD1-CB 4.22Å; Y440-K456 HydrophobicContact CD2-CB 4.4Å; Y440-K456 HydrophobicContact CE1-CB 3.85Å; Y440-K456 HydrophobicContact CE1-CD 3.98Å; Y440-K456 HydrophobicContact CE2-CB 4.03Å; Y440-K456 HydrophobicContact CG-CB 4.49Å; M452-K456 WeakPolarHBondContact O-CG 3.43Å; M452-K456 PolarHBondContact O-N 3.18Å; A453-K456 PolarHBondContact O-N 2.92Å; K456-L460 WeakPolarHBondContact O-CB 3.4Å; K456-L460 PolarHBondContact O-N 3.24Å
457L92.1Very high86.9Confident4 Ų446.6 Ų46.62%0.02125%0.246CC..Hα-helixtrans-61.4-46.8173.8-17760.7000111.6K437 Y440 W441 A453 L454 L455 L460 H461K437-L457 HydrophobicContact CB-CD1 4Å; K437-L457 HydrophobicContact CG-CD1 3.94Å; Y440-L457 HydrophobicContact CD2-CB 4.41Å; Y440-L457 HydrophobicContact CD2-CD1 4.46Å; Y440-L457 HydrophobicContact CG-CB 4.5Å; W441-L457 HydrophobicContact CB-CD2 4.42Å; A453-L457 WeakPolarHBondContact O-CB 3.35Å; A453-L457 PolarHBondContact O-N 3.2Å; L454-L457 PolarHBondContact O-N 3.38Å; L455-L457 VanDerWaalsContact C-N 3.33Å; L457-L460 WeakPolarHBondContact O-CB 3.41Å; L457-L460 PolarHBondContact O-N 2.89Å; L457-L460 VanDerWaalsContact O-N 3.17Å; L457-H461 PolarHBondContact O-CD2 3.12Å; L457-H461 PolarHBondContact O-N 3.43Å
458A90.9Very high87.3Confident0 Ų049.1 Ų49.10%025%0.249CC..Hα-helixtrans-61.8-46.6179.500000111.8L454 L455 L460 H461 E462 C473 Y474L454-A458 WeakPolarHBondContact O-CB 3.45Å; L454-A458 PolarHBondContact O-N 3.39Å; L455-A458 PolarHBondContact O-N 2.88Å; A458-L460 VanDerWaalsContact C-N 3.27Å; A458-L460 PolarHBondContact O-N 3.01Å; A458-H461 PolarHBondContact O-N 3.21Å; A458-H461 VanDerWaalsContact O-N 3.12Å; A458-E462 WeakPolarHBondContact O-CG 3.25Å; A458-E462 PolarHBondContact O-N 2.9Å; A458-C473 HydrophobicContact CB-CB 3.78Å; A458-Y474 HydrophobicContact CB-CD1 3.78Å; A458-Y474 HydrophobicContact CB-CD2 3.77Å; A458-Y474 HydrophobicContact CB-CE1 3.55Å; A458-Y474 HydrophobicContact CB-CE2 3.54Å; A458-Y474 HydrophobicContact CB-CG 3.9Å; A458-Y474 VanDerWaalsContact CB-CZ 3.44Å
459K90.9Very high87.8Confident85 Ų8552.1 Ų52.137%0.3727%0.266SS..Hα-helixtrans-58.8-36.8173.8-72.3178.7179.9177.70112.6L455 E462 Q463L455-K459 HydrophobicContact CD2-CD 3.9Å; L455-K459 VanDerWaalsContact CD2-CE 3.48Å; L455-K459 WeakPolarHBondContact O-CG 3.42Å; L455-K459 PolarHBondContact O-N 3.44Å; K459-E462 WeakPolarHBondContact O-CB 3.19Å; K459-E462 PolarHBondContact O-N 3.17Å; K459-Q463 WeakPolarHBondContact O-CG 3.33Å; K459-Q463 PolarHBondContact O-N 3.46Å
460L92.3Very high88.7Confident0 Ų047.5 Ų47.50%024%0.237CC..Hα-helixtrans-67.8-38.5176.1-173.665000112E428 Q433 A436 K437 Y440 K456 L457 A458 Q463 L464E428-L460 HydrophobicContact CG-CD1 4.2Å; Q433-L460 HydrophobicContact CB-CD1 4.45Å; Q433-L460 HydrophobicContact CG-CD1 4.18Å; A436-L460 HydrophobicContact CB-CD2 3.74Å; K437-L460 HydrophobicContact CG-CD2 3.65Å; K437-L460 HydrophobicContact CG-CG 4.44Å; Y440-L460 HydrophobicContact CD2-CD2 4.25Å; Y440-L460 HydrophobicContact CE2-CD2 4.13Å; K456-L460 WeakPolarHBondContact O-CB 3.4Å; K456-L460 PolarHBondContact O-N 3.24Å; L457-L460 WeakPolarHBondContact O-CB 3.41Å; L457-L460 PolarHBondContact O-N 2.89Å; L457-L460 VanDerWaalsContact O-N 3.17Å; A458-L460 VanDerWaalsContact C-N 3.27Å; A458-L460 PolarHBondContact O-N 3.01Å; L460-Q463 PolarHBondContact O-N 2.84Å; L460-L464 WeakPolarHBondContact O-CG 3.45Å; L460-L464 PolarHBondContact O-N 3.11Å
461H92.2Very high89.4Confident15 Ų1543 Ų437%0.06922%0.217CC..Hα-helixtrans-66.5-36.7172.7-74.9-73.7000112.2L457 A458 L464 N465 E466 A470L457-H461 PolarHBondContact O-CD2 3.12Å; L457-H461 PolarHBondContact O-N 3.43Å; A458-H461 PolarHBondContact O-N 3.21Å; A458-H461 VanDerWaalsContact O-N 3.12Å; H461-L464 CarbonylContact O-C 3.26Å; H461-L464 PolarHBondContact O-N 3.21Å; H461-L464 VanDerWaalsContact O-N 3.16Å; H461-N465 PolarHBondContact O-N 3.49Å; H461-N465 VanDerWaalsContact O-N 3.16Å; H461-E466 HydrophobicContact CB-CB 4.35Å; H461-E466 IonicContact CE1-OE2 3.14Å; H461-E466 PolarHBondContact CE1-OE2 2.9Å; H461-E466 VanDerWaalsContact CE1-OE2 3.31Å; H461-E466 IonicContact CG-OE2 2.82Å; H461-E466 IonicContact ND1-OE2 3.77Å; H461-E466 PolarHBondContact ND1-OE2 3.37Å; H461-E466 PolarHBondContact O-N 3.18Å; H461-A470 HydrophobicContact CB-CB 3.71Å
462E90.1Very high89.8Confident61 Ų6145.4 Ų45.429%0.28523%0.229SC..Hα-helixtrans-59.5-47.3171.7-68.8-177.4-173.600112A458 K459 L464 N465 A470 Y474 Y499A458-E462 WeakPolarHBondContact O-CG 3.25Å; A458-E462 PolarHBondContact O-N 2.9Å; K459-E462 WeakPolarHBondContact O-CB 3.19Å; K459-E462 PolarHBondContact O-N 3.17Å; E462-L464 PolarHBondContact O-N 3.48Å; E462-N465 PolarHBondContact O-N 3.4Å; E462-A470 HydrophobicContact CG-CB 4.22Å; E462-Y474 HydrophobicContact CG-CE2 4.35Å; E462-Y474 WeakPolarHBondContact OE1-CE2 3.11Å; E462-Y474 PolarHBondContact OE1-OH 2.89Å; E462-Y499 HydrophobicContact CG-CD2 4.03Å; E462-Y499 HydrophobicContact CG-CE1 4.45Å; E462-Y499 HydrophobicContact CG-CE2 3.46Å; E462-Y499 VanDerWaalsContact CG-CE2 3.46Å; E462-Y499 WeakPolarHBondContact OE1-CD2 3.34Å; E462-Y499 WeakPolarHBondContact OE1-CE2 3.4Å
463Q89.4Confident90.1Very high109 Ų10944.5 Ų44.551%0.50923%0.225SC..Hα-helixtrans-59.4-27.2177-70172.315.600112.4E428 K459 L460E428-Q463 PolarHBondContact OE1-NE2 3.14Å; E428-Q463 VanDerWaalsContact OE1-NE2 3.12Å; K459-Q463 WeakPolarHBondContact O-CG 3.33Å; K459-Q463 PolarHBondContact O-N 3.46Å; L460-Q463 PolarHBondContact O-N 2.84Å
464L89.8Confident90.2Very high49 Ų4944.7 Ų44.726%0.25723%0.226SC..THydrogen-bonded Turntrans-90.9-1.1178.9-77.3173000114.3Q433 L460 H461 E462 E466Q433-L464 HydrophobicContact CB-CD1 4.19Å; L460-L464 WeakPolarHBondContact O-CG 3.45Å; L460-L464 PolarHBondContact O-N 3.11Å; H461-L464 CarbonylContact O-C 3.26Å; H461-L464 PolarHBondContact O-N 3.21Å; H461-L464 VanDerWaalsContact O-N 3.16Å; E462-L464 PolarHBondContact O-N 3.48Å; L464-E466 HydrophobicContact CB-CG 4.18Å; L464-E466 PolarHBondContact O-N 3.27Å
465N88.3Confident90.1Very high148 Ų14846.9 Ų46.979%0.79124%0.237SC*.THydrogen-bonded Turntrans59.224.4-173-58.2-50.3000114.4H461 E462 S467H461-N465 PolarHBondContact O-N 3.49Å; H461-N465 VanDerWaalsContact O-N 3.16Å; E462-N465 PolarHBondContact O-N 3.4Å; N465-S467 PolarHBondContact O-N 3.1Å
466E92.5Very high90.1Very high66 Ų6649 Ų4931%0.30825%0.248SC..  trans-89.175.7174.7-67.5169.6-162.400109.4K437 H461 L464 D468 A470K437-E466 IonicContact NZ-OE1 2.67Å; K437-E466 PolarHBondContact NZ-OE1 3.46Å; K437-E466 IonicContact NZ-OE2 3.22Å; K437-E466 PolarHBondContact NZ-OE2 3.48Å; H461-E466 HydrophobicContact CB-CB 4.35Å; H461-E466 IonicContact CE1-OE2 3.14Å; H461-E466 PolarHBondContact CE1-OE2 2.9Å; H461-E466 VanDerWaalsContact CE1-OE2 3.31Å; H461-E466 IonicContact CG-OE2 2.82Å; H461-E466 IonicContact ND1-OE2 3.77Å; H461-E466 PolarHBondContact ND1-OE2 3.37Å; H461-E466 PolarHBondContact O-N 3.18Å; L464-E466 HydrophobicContact CB-CG 4.18Å; L464-E466 PolarHBondContact O-N 3.27Å; E466-D468 PolarHBondContact O-N 3.22Å; E466-A470 WeakPolarHBondContact O-CB 3.46Å; E466-A470 PolarHBondContact O-N 3.49Å; E466-A470 VanDerWaalsContact O-N 3.12Å
467S88.9Confident90Very high49 Ų4947.1 Ų47.134%0.34324%0.24SC..Hα-helixtrans-65.3-33.5-169.453.90000114.7N465 A471 Y503N465-S467 PolarHBondContact O-N 3.1Å; S467-A471 WeakPolarHBondContact O-CB 3.35Å; S467-A471 PolarHBondContact O-N 3.14Å; S467-Y503 WeakPolarHBondContact O-CE2 3.43Å
468D89.6Confident89.6Confident96 Ų9647.6 Ų47.651%0.51324%0.242SC..Hα-helixtrans-71.5-44.8-176.7-62-19.3000111.3E466 A471 Q472 Y503E466-D468 PolarHBondContact O-N 3.22Å; D468-A471 PolarHBondContact O-N 2.91Å; D468-Q472 PolarHBondContact O-N 2.89Å; D468-Y503 WeakPolarHBondContact OD1-CE2 3.32Å; D468-Y503 PolarHBondContact OD1-OH 3.2Å
469D89.8Confident89.3Confident87 Ų8753 Ų5347%0.46527%0.267SS..Hα-helixtrans-68.3-38176.8-67.8-29.6000111.6Q472 C473D469-Q472 PolarHBondContact O-N 3.47Å; D469-C473 PolarHBondContact O-N 3.07Å; D469-C473 PolarHBondContact O-SG 3.46Å
470A91.3Very high88.9Confident0 Ų051.3 Ų51.30%026%0.262CS..Hα-helixtrans-60.5-47.2174.200000111.5H461 E462 E466 Q472 C473 Y474 Y499H461-A470 HydrophobicContact CB-CB 3.71Å; E462-A470 HydrophobicContact CG-CB 4.22Å; E466-A470 WeakPolarHBondContact O-CB 3.46Å; E466-A470 PolarHBondContact O-N 3.49Å; E466-A470 VanDerWaalsContact O-N 3.12Å; A470-Q472 VanDerWaalsContact C-N 3.34Å; A470-Q472 PolarHBondContact O-N 3.28Å; A470-C473 PolarHBondContact O-N 2.98Å; A470-Y474 WeakPolarHBondContact O-CD2 3.33Å; A470-Y474 PolarHBondContact O-N 3.39Å; A470-Y499 HydrophobicContact CB-CE1 3.83Å
471A89.6Confident88.2Confident2 Ų251.9 Ų51.92%0.01727%0.265CS..Hα-helixtrans-60.6-44177.200000111.5S467 D468 C473 Y474 M475 L500 Y503S467-A471 WeakPolarHBondContact O-CB 3.35Å; S467-A471 PolarHBondContact O-N 3.14Å; D468-A471 PolarHBondContact O-N 2.91Å; A471-C473 VanDerWaalsContact C-N 3.33Å; A471-C473 PolarHBondContact O-N 3.5Å; A471-Y474 PolarHBondContact O-N 2.95Å; A471-M475 WeakPolarHBondContact O-CG 3.5Å; A471-M475 PolarHBondContact O-N 2.9Å; A471-L500 HydrophobicContact CB-CD2 3.85Å; A471-L500 WeakPolarHBondContact O-CD2 3.43Å; A471-Y503 HydrophobicContact CB-CD1 3.51Å; A471-Y503 HydrophobicContact CB-CD2 4.05Å; A471-Y503 HydrophobicContact CB-CE1 3.46Å; A471-Y503 VanDerWaalsContact CB-CE1 3.46Å; A471-Y503 HydrophobicContact CB-CE2 4.02Å; A471-Y503 HydrophobicContact CB-CG 3.81Å
472Q89.7Confident87.6Confident98 Ų9856.2 Ų56.246%0.45828%0.284SS..Hα-helixtrans-60.5-42.4176.8-173.162.623.600112.2D468 D469 A470 M475 L476D468-Q472 PolarHBondContact O-N 2.89Å; D469-Q472 PolarHBondContact O-N 3.47Å; A470-Q472 VanDerWaalsContact C-N 3.34Å; A470-Q472 PolarHBondContact O-N 3.28Å; Q472-M475 PolarHBondContact O-N 3.5Å; Q472-L476 HydrophobicContact CG-CD1 4.5Å; Q472-L476 WeakPolarHBondContact O-CG 3.32Å; Q472-L476 PolarHBondContact O-N 3.01Å
473C89.9Confident87Confident13 Ų1357.7 Ų57.79%0.08830%0.301CS..Hα-helixtrans-64-42.4177.3-66.60000112.2A458 D469 A470 A471 L476 Y477A458-C473 HydrophobicContact CB-CB 3.78Å; D469-C473 PolarHBondContact O-N 3.07Å; D469-C473 PolarHBondContact O-SG 3.46Å; A470-C473 PolarHBondContact O-N 2.98Å; A471-C473 VanDerWaalsContact C-N 3.33Å; A471-C473 PolarHBondContact O-N 3.5Å; C473-L476 PolarHBondContact O-N 3.28Å; C473-Y477 WeakPolarHBondContact O-CB 3.26Å; C473-Y477 PolarHBondContact O-N 3.45Å
474Y89.6Confident85.9Confident4 Ų456 Ų562%0.01630%0.3CS..Hα-helixtrans-67.4-36.5175.8-75.9-57.3000113.1A458 E462 A470 A471 Y477 I478 A496 Y499A458-Y474 HydrophobicContact CB-CD1 3.78Å; A458-Y474 HydrophobicContact CB-CD2 3.77Å; A458-Y474 HydrophobicContact CB-CE1 3.55Å; A458-Y474 HydrophobicContact CB-CE2 3.54Å; A458-Y474 HydrophobicContact CB-CG 3.9Å; A458-Y474 VanDerWaalsContact CB-CZ 3.44Å; E462-Y474 HydrophobicContact CG-CE2 4.35Å; E462-Y474 WeakPolarHBondContact OE1-CE2 3.11Å; E462-Y474 PolarHBondContact OE1-OH 2.89Å; A470-Y474 WeakPolarHBondContact O-CD2 3.33Å; A470-Y474 PolarHBondContact O-N 3.39Å; A471-Y474 PolarHBondContact O-N 2.95Å; Y474-Y477 PolarHBondContact O-N 3.33Å; Y474-I478 WeakPolarHBondContact O-CB 3.45Å; Y474-I478 WeakPolarHBondContact O-CD1 3.39Å; Y474-I478 VanDerWaalsContact O-CG1 3.25Å; Y474-I478 WeakPolarHBondContact O-CG1 3.47Å; Y474-I478 PolarHBondContact O-N 3.33Å; Y474-A496 HydrophobicContact CD1-CB 3.31Å; Y474-A496 HydrophobicContact CE1-CB 3.8Å; Y474-A496 HydrophobicContact CG-CB 4.06Å; Y474-Y499 AromaticContact CD2-CD1 3.44Å; Y474-Y499 HydrophobicContact CD2-CD1 3.44Å; Y474-Y499 VanDerWaalsContact CD2-CD1 3.44Å; Y474-Y499 HydrophobicContact CD2-CE1 4.04Å; Y474-Y499 HydrophobicContact CD2-CG 4.04Å; Y474-Y499 AromaticContact CE2-CD1 3.48Å; Y474-Y499 HydrophobicContact CE2-CD1 3.48Å; Y474-Y499 VanDerWaalsContact CE2-CD1 3.48Å; Y474-Y499 HydrophobicContact CE2-CD2 4.42Å; Y474-Y499 HydrophobicContact CE2-CE1 4.04Å; Y474-Y499 AromaticContact CE2-CG 3.69Å; Y474-Y499 HydrophobicContact CE2-CG 3.69Å
475M87.4Confident84.4Confident53 Ų5356.9 Ų56.926%0.26132%0.321SS..Hα-helixtrans-61-48.1173.9-75.6176.461.300111.3A471 Q472 I478 Q479 L500 Y504A471-M475 WeakPolarHBondContact O-CG 3.5Å; A471-M475 PolarHBondContact O-N 2.9Å; Q472-M475 PolarHBondContact O-N 3.5Å; M475-I478 PolarHBondContact O-N 2.96Å; M475-Q479 WeakPolarHBondContact O-CG 3.34Å; M475-Q479 PolarHBondContact O-N 3.03Å; M475-L500 HydrophobicContact CG-CD1 4.15Å; M475-L500 HydrophobicContact CG-CD2 3.98Å; M475-Y504 PolarHBondContact SD-OH 3.34Å
476L87.5Confident82.8Confident48 Ų4855.1 Ų55.125%0.25131%0.308SS..Hα-helixtrans-60.1-47.5176.9-70.8172.9000111L454 Q472 C473 I478 Q479 D480L454-L476 HydrophobicContact CD1-CB 4.19Å; Q472-L476 HydrophobicContact CG-CD1 4.5Å; Q472-L476 WeakPolarHBondContact O-CG 3.32Å; Q472-L476 PolarHBondContact O-N 3.01Å; C473-L476 PolarHBondContact O-N 3.28Å; L476-I478 VanDerWaalsContact C-N 3.29Å; L476-I478 PolarHBondContact O-N 2.86Å; L476-Q479 PolarHBondContact O-N 3.35Å; L476-Q479 VanDerWaalsContact O-N 3.14Å; L476-D480 VanDerWaalsContact O-CG 3.29Å; L476-D480 PolarHBondContact O-N 3.01Å
477Y87.4Confident80.7Confident3 Ų361.4 Ų61.41%0.01234%0.338CS..Hα-helixtrans-54.7-44.8177.5172.2-108000112.5K451 L454 L455 C473 Y474 I481 V493 A496K451-Y477 VanDerWaalsContact O-CE2 3.25Å; K451-Y477 WeakPolarHBondContact O-CE2 3.3Å; L454-Y477 HydrophobicContact CB-CD2 4.28Å; L455-Y477 HydrophobicContact CB-CD2 4.48Å; L455-Y477 HydrophobicContact CB-CE2 4.27Å; L455-Y477 HydrophobicContact CD1-CE1 4.14Å; L455-Y477 HydrophobicContact CD1-CE2 4.47Å; C473-Y477 WeakPolarHBondContact O-CB 3.26Å; C473-Y477 PolarHBondContact O-N 3.45Å; Y474-Y477 PolarHBondContact O-N 3.33Å; Y477-I481 HydrophobicContact CD1-CD1 4.1Å; Y477-I481 HydrophobicContact CD2-CD1 3.98Å; Y477-I481 HydrophobicContact CE1-CD1 3.55Å; Y477-I481 HydrophobicContact CE2-CD1 3.42Å; Y477-I481 VanDerWaalsContact CE2-CD1 3.42Å; Y477-I481 HydrophobicContact CE2-CG1 4.32Å; Y477-I481 HydrophobicContact CG-CD1 4.3Å; Y477-I481 WeakPolarHBondContact O-CG1 3.45Å; Y477-I481 PolarHBondContact O-N 3.02Å; Y477-I481 VanDerWaalsContact O-N 3.14Å; Y477-I481 WeakPolarHBondContact OH-CD1 3.46Å; Y477-V493 HydrophobicContact CE1-CG2 4.03Å; Y477-A496 HydrophobicContact CD1-CB 4.06Å; Y477-A496 HydrophobicContact CE1-CB 4.22Å
478I83.9Confident78.9Confident14 Ų1462 Ų627%0.07234%0.337CS..Hα-helixtrans-68.3-42.2179.1-71.7168.2000111.5Y474 M475 L476 I481 F482 A496 L497 L500Y474-I478 WeakPolarHBondContact O-CB 3.45Å; Y474-I478 WeakPolarHBondContact O-CD1 3.39Å; Y474-I478 VanDerWaalsContact O-CG1 3.25Å; Y474-I478 WeakPolarHBondContact O-CG1 3.47Å; Y474-I478 PolarHBondContact O-N 3.33Å; M475-I478 PolarHBondContact O-N 2.96Å; L476-I478 VanDerWaalsContact C-N 3.29Å; L476-I478 PolarHBondContact O-N 2.86Å; I478-I481 PolarHBondContact O-N 3.29Å; I478-F482 HydrophobicContact CG2-CD2 3.41Å; I478-F482 VanDerWaalsContact CG2-CD2 3.41Å; I478-F482 HydrophobicContact CG2-CE2 3.25Å; I478-F482 HydrophobicContact CG2-CZ 4.47Å; I478-F482 WeakPolarHBondContact O-CD2 3.46Å; I478-F482 PolarHBondContact O-N 2.69Å; I478-A496 HydrophobicContact CD1-CB 4.14Å; I478-A496 HydrophobicContact CG1-CB 4.33Å; I478-L497 HydrophobicContact CD1-CD2 3.75Å; I478-L497 HydrophobicContact CD1-CG 4.03Å; I478-L500 HydrophobicContact CD1-CD1 3.4Å; I478-L500 VanDerWaalsContact CD1-CD1 3.4Å
479Q84.6Confident77.2Confident113 Ų11366.8 Ų66.853%0.52836%0.356SS..Hα-helixtrans-61.1-44.9177.1-74.6176.3-3.200111.6M475 L476 I481 F482 S483M475-Q479 WeakPolarHBondContact O-CG 3.34Å; M475-Q479 PolarHBondContact O-N 3.03Å; L476-Q479 PolarHBondContact O-N 3.35Å; L476-Q479 VanDerWaalsContact O-N 3.14Å; Q479-I481 PolarHBondContact O-N 3.41Å; Q479-F482 PolarHBondContact O-N 3.03Å; Q479-S483 WeakPolarHBondContact O-CB 3.25Å; Q479-S483 PolarHBondContact O-N 3.12Å; Q479-S483 PolarHBondContact O-OG 2.92Å
480D82.4Confident76Confident50 Ų5064.9 Ų64.927%0.26734%0.344SS..Hα-helixtrans-61.5-46.8179.5-69.4-18.2000111.2Y444 L454 L476 F482 S483 C484Y444-D480 WeakPolarHBondContact CE2-OD2 3.35Å; Y444-D480 PolarHBondContact OH-OD2 3.27Å; L454-D480 WeakPolarHBondContact CD1-OD2 3.42Å; L476-D480 VanDerWaalsContact O-CG 3.29Å; L476-D480 PolarHBondContact O-N 3.01Å; D480-F482 PolarHBondContact O-N 3.18Å; D480-S483 PolarHBondContact O-N 2.58Å; D480-S483 PolarHBondContact O-OG 3.12Å; D480-C484 PolarHBondContact O-N 3.32Å; D480-C484 PolarHBondContact O-SG 2.87Å
481I78.8Confident75Confident11 Ų1167.7 Ų67.76%0.05637%0.368CS..Hα-helixtrans-60.3-47.7177.9-71173.9000111.3Y477 I478 Q479 S483 C484 V493Y477-I481 HydrophobicContact CD1-CD1 4.1Å; Y477-I481 HydrophobicContact CD2-CD1 3.98Å; Y477-I481 HydrophobicContact CE1-CD1 3.55Å; Y477-I481 HydrophobicContact CE2-CD1 3.42Å; Y477-I481 VanDerWaalsContact CE2-CD1 3.42Å; Y477-I481 HydrophobicContact CE2-CG1 4.32Å; Y477-I481 HydrophobicContact CG-CD1 4.3Å; Y477-I481 WeakPolarHBondContact O-CG1 3.45Å; Y477-I481 PolarHBondContact O-N 3.02Å; Y477-I481 VanDerWaalsContact O-N 3.14Å; Y477-I481 WeakPolarHBondContact OH-CD1 3.46Å; I478-I481 PolarHBondContact O-N 3.29Å; Q479-I481 PolarHBondContact O-N 3.41Å; I481-S483 VanDerWaalsContact C-N 3.31Å; I481-S483 PolarHBondContact O-N 3.02Å; I481-C484 PolarHBondContact O-N 3.36Å; I481-V493 HydrophobicContact CD1-CG2 3.62Å
482F78.2Confident74.4Confident107 Ų10770.4 Ų70.447%0.46938%0.38SS..Hα-helixtrans-67.7-31-179.7-75.5-55000113I478 Q479 D480I478-F482 HydrophobicContact CG2-CD2 3.41Å; I478-F482 VanDerWaalsContact CG2-CD2 3.41Å; I478-F482 HydrophobicContact CG2-CE2 3.25Å; I478-F482 HydrophobicContact CG2-CZ 4.47Å; I478-F482 WeakPolarHBondContact O-CD2 3.46Å; I478-F482 PolarHBondContact O-N 2.69Å; Q479-F482 PolarHBondContact O-N 3.03Å; D480-F482 PolarHBondContact O-N 3.18Å
483S78.6Confident74Confident92 Ų9266 Ų6664%0.64336%0.359SS*.Hα-helixtrans-70.5-30.1177.174.30000113.3Q479 D480 I481 G485Q479-S483 WeakPolarHBondContact O-CB 3.25Å; Q479-S483 PolarHBondContact O-N 3.12Å; Q479-S483 PolarHBondContact O-OG 2.92Å; D480-S483 PolarHBondContact O-N 2.58Å; D480-S483 PolarHBondContact O-OG 3.12Å; I481-S483 VanDerWaalsContact C-N 3.31Å; I481-S483 PolarHBondContact O-N 3.02Å; S483-G485 VanDerWaalsContact C-N 3.32Å; S483-G485 PolarHBondContact O-N 3.13Å
484C66.1Low73.6Confident72 Ų7265.8 Ų65.849%0.48636%0.358SS..THydrogen-bonded Turntrans-79.4-8.7179.2-70.70000114.3D480 I481 E486D480-C484 PolarHBondContact O-N 3.32Å; D480-C484 PolarHBondContact O-SG 2.87Å; I481-C484 PolarHBondContact O-N 3.36Å; C484-E486 PolarHBondContact O-N 3.17Å; C484-E486 VanDerWaalsContact O-N 3.08Å
485G57.5Low73.4Confident68 Ų6868.1 Ų68.170%0.70137%0.373SS*.THydrogen-bonded Turntrans67.95.2172.400000116.3S483 Q487S483-G485 VanDerWaalsContact C-N 3.32Å; S483-G485 PolarHBondContact O-N 3.13Å; G485-Q487 PolarHBondContact O-N 3Å
486E55.6Low73.3Confident111 Ų11165.6 Ų65.652%0.51936%0.361SS..  trans-78.2120.4174.6-71.5177.4144.800110K451 C484 L488K451-E486 IonicContact NZ-OE2 3.31Å; K451-E486 PolarHBondContact NZ-OE2 3.41Å; C484-E486 PolarHBondContact O-N 3.17Å; C484-E486 VanDerWaalsContact O-N 3.08Å; E486-L488 HydrophobicContact CB-CD1 3.73Å; E486-L488 HydrophobicContact CB-CG 4.08Å; E486-L488 PolarHBondContact O-N 2.92Å
487Q48Very low73.3Confident199 Ų19963.4 Ų63.493%0.9335%0.349SS*.  trans-68.398166.7-73.1-176.3-17.400108.1G485G485-Q487 PolarHBondContact O-N 3Å
488L52.3Low73.2Confident61 Ų6167.6 Ų67.632%0.31937%0.365SS..  trans-112.9118174.3-70.2150.5000109.6E486 H490E486-L488 HydrophobicContact CB-CD1 3.73Å; E486-L488 HydrophobicContact CB-CG 4.08Å; E486-L488 PolarHBondContact O-N 2.92Å; L488-H490 WeakPolarHBondContact CB-CD2 3.41Å; L488-H490 WeakPolarHBondContact CB-NE2 3.17Å; L488-H490 WeakPolarHBondContact CD1-NE2 2.77Å; L488-H490 WeakPolarHBondContact CD2-NE2 3.45Å; L488-H490 PolarHBondContact O-N 2.97Å
489E53.6Low73.3Confident196 Ų19669.1 Ų69.192%0.91637%0.37SS*.  trans-69.556.9165.5-64.7-177.6157.200110.1A491E489-A491 PolarHBondContact O-N 3.47Å
490H64.6Low73.5Confident48 Ų4863.9 Ų63.922%0.22235%0.346CS..  trans-82.3111.9-179.2-80.6-44.7000110.2L488 E492 V493 S494L488-H490 WeakPolarHBondContact CB-CD2 3.41Å; L488-H490 WeakPolarHBondContact CB-NE2 3.17Å; L488-H490 WeakPolarHBondContact CD1-NE2 2.77Å; L488-H490 WeakPolarHBondContact CD2-NE2 3.45Å; L488-H490 PolarHBondContact O-N 2.97Å; H490-E492 HydrophobicContact CB-CB 4.28Å; H490-E492 IonicContact ND1-OE2 2.68Å; H490-E492 PolarHBondContact O-N 3.37Å; H490-V493 HydrophobicContact CB-CB 4.21Å; H490-V493 HydrophobicContact CB-CG2 3.72Å; H490-V493 PolarHBondContact O-N 3.01Å; H490-S494 PolarHBondContact O-N 3.04Å
491A68.8Low73.6Confident59 Ų5961.6 Ų61.649%0.48833%0.334SS..Hα-helixtrans-47.4-33.4164.500000111.4E489 S494 T495E489-A491 PolarHBondContact O-N 3.47Å; A491-S494 WeakPolarHBondContact O-CB 3.02Å; A491-S494 PolarHBondContact O-N 3.28Å; A491-S494 PolarHBondContact O-OG 2.98Å; A491-T495 PolarHBondContact O-N 3.14Å; A491-T495 VanDerWaalsContact O-N 3.1Å
492E78.3Confident74Confident59 Ų5964.8 Ų64.828%0.27635%0.349SS..Hα-helixtrans-63-40175.9-74.2152.4-179.200114.5M452 L455 H490 S494 T495 A496M452-E492 WeakPolarHBondContact CE-OE2 3.38Å; L455-E492 HydrophobicContact CD1-CB 3.42Å; L455-E492 VanDerWaalsContact CD1-CB 3.42Å; L455-E492 HydrophobicContact CD1-CG 3.67Å; H490-E492 HydrophobicContact CB-CB 4.28Å; H490-E492 IonicContact ND1-OE2 2.68Å; H490-E492 PolarHBondContact O-N 3.37Å; E492-S494 VanDerWaalsContact C-N 3.28Å; E492-S494 PolarHBondContact O-N 3.31Å; E492-T495 WeakPolarHBondContact CA-OG1 3.01Å; E492-T495 PolarHBondContact O-N 3.2Å; E492-T495 VanDerWaalsContact O-N 3.15Å; E492-T495 PolarHBondContact O-OG1 2.98Å; E492-A496 PolarHBondContact O-N 3.37Å
493V80.9Confident74.6Confident4 Ų461.4 Ų61.42%0.02433%0.333CS..Hα-helixtrans-64.4-38.6174.9173.50000110.1Y477 I481 H490 T495 A496 L497 Y523Y477-V493 HydrophobicContact CE1-CG2 4.03Å; I481-V493 HydrophobicContact CD1-CG2 3.62Å; H490-V493 HydrophobicContact CB-CB 4.21Å; H490-V493 HydrophobicContact CB-CG2 3.72Å; H490-V493 PolarHBondContact O-N 3.01Å; V493-T495 VanDerWaalsContact C-N 3.32Å; V493-T495 PolarHBondContact O-N 3.37Å; V493-A496 PolarHBondContact O-N 2.96Å; V493-L497 HydrophobicContact CG1-CD1 3.87Å; V493-L497 HydrophobicContact CG1-CG 4.29Å; V493-L497 WeakPolarHBondContact O-CB 3.17Å; V493-L497 WeakPolarHBondContact O-CG 3.41Å; V493-L497 PolarHBondContact O-N 3.41Å; V493-Y523 HydrophobicContact CG1-CE2 4.46Å
494S82.1Confident75.1Confident9 Ų958 Ų586%0.06331%0.306CS..Hα-helixtrans-62.2-40.5174.187.20000111.7H490 A491 E492 R498H490-S494 PolarHBondContact O-N 3.04Å; A491-S494 WeakPolarHBondContact O-CB 3.02Å; A491-S494 PolarHBondContact O-N 3.28Å; A491-S494 PolarHBondContact O-OG 2.98Å; E492-S494 VanDerWaalsContact C-N 3.28Å; E492-S494 PolarHBondContact O-N 3.31Å; S494-R498 VanDerWaalsContact O-CB 3.24Å; S494-R498 WeakPolarHBondContact O-CB 3.38Å; S494-R498 PolarHBondContact O-N 3.4Å
495T84.5Confident76.1Confident54 Ų5457 Ų5733%0.33129%0.294SS..Hα-helixtrans-65.2-41.7176.362.70000112.4A491 E492 V493 R498 Y499A491-T495 PolarHBondContact O-N 3.14Å; A491-T495 VanDerWaalsContact O-N 3.1Å; E492-T495 WeakPolarHBondContact CA-OG1 3.01Å; E492-T495 PolarHBondContact O-N 3.2Å; E492-T495 VanDerWaalsContact O-N 3.15Å; E492-T495 PolarHBondContact O-OG1 2.98Å; V493-T495 VanDerWaalsContact C-N 3.32Å; V493-T495 PolarHBondContact O-N 3.37Å; T495-R498 PolarHBondContact O-N 3.37Å; T495-Y499 PolarHBondContact O-N 2.93Å
496A85.9Confident77.6Confident0 Ų061.5 Ų61.50%029%0.294CS..Hα-helixtrans-64.3-48.8177.600000111.9Y474 Y477 I478 E492 V493 R498 Y499 L500Y474-A496 HydrophobicContact CD1-CB 3.31Å; Y474-A496 HydrophobicContact CE1-CB 3.8Å; Y474-A496 HydrophobicContact CG-CB 4.06Å; Y477-A496 HydrophobicContact CD1-CB 4.06Å; Y477-A496 HydrophobicContact CE1-CB 4.22Å; I478-A496 HydrophobicContact CD1-CB 4.14Å; I478-A496 HydrophobicContact CG1-CB 4.33Å; E492-A496 PolarHBondContact O-N 3.37Å; V493-A496 PolarHBondContact O-N 2.96Å; A496-R498 VanDerWaalsContact C-N 3.25Å; A496-R498 PolarHBondContact O-N 3.18Å; A496-Y499 PolarHBondContact O-N 2.98Å; A496-L500 WeakPolarHBondContact O-CG 3.37Å; A496-L500 PolarHBondContact O-N 3.11Å
497L86.3Confident79.1Confident2 Ų259.3 Ų59.31%0.0129%0.286CS..Hα-helixtrans-60.9-37.6177.7-74.9168.8000111.7I478 V493 L500 G501 R519 C520 Y523I478-L497 HydrophobicContact CD1-CD2 3.75Å; I478-L497 HydrophobicContact CD1-CG 4.03Å; V493-L497 HydrophobicContact CG1-CD1 3.87Å; V493-L497 HydrophobicContact CG1-CG 4.29Å; V493-L497 WeakPolarHBondContact O-CB 3.17Å; V493-L497 WeakPolarHBondContact O-CG 3.41Å; V493-L497 PolarHBondContact O-N 3.41Å; L497-L500 PolarHBondContact O-N 3.34Å; L497-G501 PolarHBondContact O-N 3.37Å; L497-R519 HydrophobicContact CD1-CB 4.13Å; L497-R519 HydrophobicContact CD2-CB 4.33Å; L497-C520 WeakPolarHBondContact CB-SG 3.42Å; L497-Y523 HydrophobicContact CD1-CD2 4.23Å; L497-Y523 HydrophobicContact CD1-CE2 3.6Å
498R85.3Confident81Confident91 Ų9157.1 Ų57.134%0.34327%0.273SS..Hα-helixtrans-66.9-45.2178.1-167.1-173.666.2131.68.2112.2S494 T495 A496 L500 G501 Q502 E529S494-R498 VanDerWaalsContact O-CB 3.24Å; S494-R498 WeakPolarHBondContact O-CB 3.38Å; S494-R498 PolarHBondContact O-N 3.4Å; T495-R498 PolarHBondContact O-N 3.37Å; A496-R498 VanDerWaalsContact C-N 3.25Å; A496-R498 PolarHBondContact O-N 3.18Å; R498-L500 VanDerWaalsContact C-N 3.35Å; R498-G501 PolarHBondContact O-N 2.93Å; R498-Q502 WeakPolarHBondContact O-CG 3.34Å; R498-Q502 PolarHBondContact O-N 3.25Å; R498-Q502 VanDerWaalsContact O-N 3.12Å; R498-E529 WeakPolarHBondContact CD-OE2 3.23Å; R498-E529 IonicContact CZ-OE2 2.78Å; R498-E529 IonicContact NE-OE2 3.67Å; R498-E529 IonicContact NH1-OE1 2.76Å; R498-E529 PolarHBondContact NH1-OE1 3.45Å; R498-E529 VanDerWaalsContact NH1-OE1 3.12Å; R498-E529 IonicContact NH1-OE2 2.59Å; R498-E529 PolarHBondContact NH1-OE2 2.94Å
499Y87.8Confident82.7Confident45 Ų4558.9 Ų58.918%0.17628%0.28CS..Hα-helixtrans-60.2-46.7175.7-176.2-92.9000111.1E462 A470 Y474 T495 A496 G501 Q502 Y503E462-Y499 HydrophobicContact CG-CD2 4.03Å; E462-Y499 HydrophobicContact CG-CE1 4.45Å; E462-Y499 HydrophobicContact CG-CE2 3.46Å; E462-Y499 VanDerWaalsContact CG-CE2 3.46Å; E462-Y499 WeakPolarHBondContact OE1-CD2 3.34Å; E462-Y499 WeakPolarHBondContact OE1-CE2 3.4Å; A470-Y499 HydrophobicContact CB-CE1 3.83Å; Y474-Y499 AromaticContact CD2-CD1 3.44Å; Y474-Y499 HydrophobicContact CD2-CD1 3.44Å; Y474-Y499 VanDerWaalsContact CD2-CD1 3.44Å; Y474-Y499 HydrophobicContact CD2-CE1 4.04Å; Y474-Y499 HydrophobicContact CD2-CG 4.04Å; Y474-Y499 AromaticContact CE2-CD1 3.48Å; Y474-Y499 HydrophobicContact CE2-CD1 3.48Å; Y474-Y499 VanDerWaalsContact CE2-CD1 3.48Å; Y474-Y499 HydrophobicContact CE2-CD2 4.42Å; Y474-Y499 HydrophobicContact CE2-CE1 4.04Å; Y474-Y499 AromaticContact CE2-CG 3.69Å; Y474-Y499 HydrophobicContact CE2-CG 3.69Å; T495-Y499 PolarHBondContact O-N 2.93Å; A496-Y499 PolarHBondContact O-N 2.98Å; Y499-G501 PolarHBondContact O-N 3.02Å; Y499-Q502 PolarHBondContact O-N 3.06Å; Y499-Y503 WeakPolarHBondContact O-CB 3.42Å; Y499-Y503 PolarHBondContact O-N 3.19Å
500L87.7Confident84.2Confident4 Ų452.4 Ų52.42%0.02125%0.247CC..Hα-helixtrans-61.1-44177.1-72.9177.1000112.8A471 M475 I478 A496 L497 R498 Q502 Y503 Y504A471-L500 HydrophobicContact CB-CD2 3.85Å; A471-L500 WeakPolarHBondContact O-CD2 3.43Å; M475-L500 HydrophobicContact CG-CD1 4.15Å; M475-L500 HydrophobicContact CG-CD2 3.98Å; I478-L500 HydrophobicContact CD1-CD1 3.4Å; I478-L500 VanDerWaalsContact CD1-CD1 3.4Å; A496-L500 WeakPolarHBondContact O-CG 3.37Å; A496-L500 PolarHBondContact O-N 3.11Å; L497-L500 PolarHBondContact O-N 3.34Å; R498-L500 VanDerWaalsContact C-N 3.35Å; L500-Q502 VanDerWaalsContact C-N 3.31Å; L500-Q502 PolarHBondContact O-N 2.93Å; L500-Y503 PolarHBondContact O-N 3.4Å; L500-Y504 HydrophobicContact CB-CD2 4.32Å; L500-Y504 HydrophobicContact CB-CE2 4.15Å; L500-Y504 HydrophobicContact CD2-CE2 4.34Å; L500-Y504 WeakPolarHBondContact O-CD2 3.47Å; L500-Y504 PolarHBondContact O-N 3.37Å
501G85.8Confident85.2Confident2 Ų255.8 Ų55.82%0.02127%0.267CS..Hα-helixtrans-58-42.8176.700000112.4L497 R498 Y499 F505L497-G501 PolarHBondContact O-N 3.37Å; R498-G501 PolarHBondContact O-N 2.93Å; Y499-G501 PolarHBondContact O-N 3.02Å; G501-F505 WeakPolarHBondContact O-CB 3.38Å; G501-F505 PolarHBondContact O-N 3.49Å; G501-F505 VanDerWaalsContact O-N 3.11Å
502Q86.9Confident86.1Confident77 Ų7757.2 Ų57.236%0.3626%0.264SS..Hα-helixtrans-69.5-38.9175.5-69.1-179.11.200112.7R498 Y499 L500 F505 K506 L533R498-Q502 WeakPolarHBondContact O-CG 3.34Å; R498-Q502 PolarHBondContact O-N 3.25Å; R498-Q502 VanDerWaalsContact O-N 3.12Å; Y499-Q502 PolarHBondContact O-N 3.06Å; L500-Q502 VanDerWaalsContact C-N 3.31Å; L500-Q502 PolarHBondContact O-N 2.93Å; Q502-F505 PolarHBondContact O-N 3.26Å; Q502-K506 WeakPolarHBondContact O-CG 3.29Å; Q502-K506 PolarHBondContact O-N 2.9Å; Q502-L533 HydrophobicContact CG-CD1 3.9Å
503Y90Very high86.4Confident37 Ų3754.4 Ų54.415%0.14525%0.25CS..Hα-helixtrans-62.1-51.2177.2173.8-97.5000111.6S467 D468 A471 Y499 L500 F505 K506 N507S467-Y503 WeakPolarHBondContact O-CE2 3.43Å; D468-Y503 WeakPolarHBondContact OD1-CE2 3.32Å; D468-Y503 PolarHBondContact OD1-OH 3.2Å; A471-Y503 HydrophobicContact CB-CD1 3.51Å; A471-Y503 HydrophobicContact CB-CD2 4.05Å; A471-Y503 HydrophobicContact CB-CE1 3.46Å; A471-Y503 VanDerWaalsContact CB-CE1 3.46Å; A471-Y503 HydrophobicContact CB-CE2 4.02Å; A471-Y503 HydrophobicContact CB-CG 3.81Å; Y499-Y503 WeakPolarHBondContact O-CB 3.42Å; Y499-Y503 PolarHBondContact O-N 3.19Å; L500-Y503 PolarHBondContact O-N 3.4Å; Y503-F505 VanDerWaalsContact C-N 3.31Å; Y503-F505 PolarHBondContact O-N 3.5Å; Y503-K506 PolarHBondContact O-N 3.11Å; Y503-N507 WeakPolarHBondContact CE1-ND2 3.43Å; Y503-N507 VanDerWaalsContact CE2-ND2 3.32Å; Y503-N507 WeakPolarHBondContact CE2-ND2 3.4Å; Y503-N507 PolarHBondContact O-N 3.39Å; Y503-N507 PolarHBondContact OH-ND2 2.9Å; Y503-N507 VanDerWaalsContact OH-ND2 3.11Å
504Y88.8Confident86.6Confident21 Ų2155.2 Ų55.28%0.08226%0.256CS..Hα-helixtrans-63.7-36.7177.9-71.4-54.4000112.7M475 L500 N507 K508 H509 E512M475-Y504 PolarHBondContact SD-OH 3.34Å; L500-Y504 HydrophobicContact CB-CD2 4.32Å; L500-Y504 HydrophobicContact CB-CE2 4.15Å; L500-Y504 HydrophobicContact CD2-CE2 4.34Å; L500-Y504 WeakPolarHBondContact O-CD2 3.47Å; L500-Y504 PolarHBondContact O-N 3.37Å; Y504-N507 CarbonylContact O-C 3.39Å; Y504-N507 PolarHBondContact O-N 3.26Å; Y504-K508 PolarHBondContact O-N 2.99Å; Y504-K508 VanDerWaalsContact O-N 3.11Å; Y504-H509 HydrophobicContact CD1-CB 3.98Å; Y504-H509 AromaticContact CD1-ND1 3.96Å; Y504-H509 HydrophobicContact CG-CB 4.49Å; Y504-H509 PolarHBondContact O-N 3.48Å; Y504-E512 HydrophobicContact CD1-CB 4.05Å; Y504-E512 VanDerWaalsContact CD1-OE2 3.23Å; Y504-E512 WeakPolarHBondContact CD1-OE2 3.27Å; Y504-E512 HydrophobicContact CD2-CB 3.95Å; Y504-E512 HydrophobicContact CE1-CB 4.23Å; Y504-E512 WeakPolarHBondContact CE1-OE2 3.39Å; Y504-E512 HydrophobicContact CE2-CB 4.13Å; Y504-E512 HydrophobicContact CG-CB 3.91Å
505F88.1Confident86.8Confident51 Ų5158.7 Ų58.722%0.22427%0.273CS..Hα-helixtrans-61.2-45.9173.8-177.7-101.2000111.8G501 Q502 Y503 N507 K508 Y510 A513 Q536 I537 V540G501-F505 WeakPolarHBondContact O-CB 3.38Å; G501-F505 PolarHBondContact O-N 3.49Å; G501-F505 VanDerWaalsContact O-N 3.11Å; Q502-F505 PolarHBondContact O-N 3.26Å; Y503-F505 VanDerWaalsContact C-N 3.31Å; Y503-F505 PolarHBondContact O-N 3.5Å; F505-N507 VanDerWaalsContact C-N 3.3Å; F505-N507 PolarHBondContact O-N 3.47Å; F505-K508 PolarHBondContact O-N 2.88Å; F505-Y510 HydrophobicContact CD2-CD1 4.08Å; F505-Y510 AromaticContact CD2-CE1 3.98Å; F505-Y510 HydrophobicContact CD2-CE1 3.98Å; F505-Y510 HydrophobicContact CE2-CD1 4.36Å; F505-Y510 HydrophobicContact CE2-CE1 4.01Å; F505-A513 HydrophobicContact CB-CB 4.41Å; F505-Q536 HydrophobicContact CE2-CB 4.23Å; F505-Q536 HydrophobicContact CZ-CB 4.13Å; F505-I537 HydrophobicContact CD2-CD1 4.5Å; F505-I537 HydrophobicContact CD2-CG1 3.65Å; F505-I537 HydrophobicContact CE2-CG1 3.95Å; F505-V540 HydrophobicContact CE2-CG2 4.32Å; F505-V540 HydrophobicContact CZ-CG2 4.22Å
506K87.9Confident86.7Confident162 Ų16256.8 Ų56.870%0.70426%0.262SS*.Hα-helixtrans-62.1-37175.9-73.6175.9-177.9177.40112.4Q502 Y503 K508Q502-K506 WeakPolarHBondContact O-CG 3.29Å; Q502-K506 PolarHBondContact O-N 2.9Å; Y503-K506 PolarHBondContact O-N 3.11Å; K506-K508 VanDerWaalsContact C-N 3.27Å; K506-K508 PolarHBondContact O-N 3.19Å
507N88.2Confident86.6Confident65 Ų6556.8 Ų56.835%0.34826%0.263SS..THydrogen-bonded Turntrans-85.57.6-179.9-69.8-4.5000114Y503 Y504 F505 H509Y503-N507 WeakPolarHBondContact CE1-ND2 3.43Å; Y503-N507 VanDerWaalsContact CE2-ND2 3.32Å; Y503-N507 WeakPolarHBondContact CE2-ND2 3.4Å; Y503-N507 PolarHBondContact O-N 3.39Å; Y503-N507 PolarHBondContact OH-ND2 2.9Å; Y503-N507 VanDerWaalsContact OH-ND2 3.11Å; Y504-N507 CarbonylContact O-C 3.39Å; Y504-N507 PolarHBondContact O-N 3.26Å; F505-N507 VanDerWaalsContact C-N 3.3Å; F505-N507 PolarHBondContact O-N 3.47Å; N507-H509 PolarHBondContact O-CD2 3.39Å; N507-H509 PolarHBondContact O-N 3.37Å
508K87.3Confident86.5Confident153 Ų15361.9 Ų61.967%0.66529%0.286SS*.THydrogen-bonded Turntrans63.819.5179.2-51.8179.9178.3179.70114.9Y504 F505 K506 Y510Y504-K508 PolarHBondContact O-N 2.99Å; Y504-K508 VanDerWaalsContact O-N 3.11Å; F505-K508 PolarHBondContact O-N 2.88Å; K506-K508 VanDerWaalsContact C-N 3.27Å; K506-K508 PolarHBondContact O-N 3.19Å; K508-Y510 VanDerWaalsContact C-N 3.34Å; K508-Y510 HydrophobicContact CB-CE2 4.04Å; K508-Y510 WeakPolarHBondContact O-CD2 3.29Å; K508-Y510 PolarHBondContact O-N 3.11Å
509H88.9Confident86.4Confident98 Ų9862.3 Ų62.345%0.45429%0.288SS..  trans-88.972.5172.4-65.4-178.4000109.7Y504 N507 D511 E512 A513Y504-H509 HydrophobicContact CD1-CB 3.98Å; Y504-H509 AromaticContact CD1-ND1 3.96Å; Y504-H509 HydrophobicContact CG-CB 4.49Å; Y504-H509 PolarHBondContact O-N 3.48Å; N507-H509 PolarHBondContact O-CD2 3.39Å; N507-H509 PolarHBondContact O-N 3.37Å; H509-D511 VanDerWaalsContact C-N 3.3Å; H509-D511 PolarHBondContact O-N 2.89Å; H509-E512 HydrophobicContact CB-CB 4.47Å; H509-E512 IonicContact CG-OE2 3.79Å; H509-E512 IonicContact ND1-OE2 3.22Å; H509-E512 PolarHBondContact ND1-OE2 3.04Å; H509-A513 WeakPolarHBondContact O-CB 3.25Å; H509-A513 PolarHBondContact O-N 3.44Å
510Y84.8Confident86.1Confident59 Ų5960.3 Ų60.323%0.23128%0.281CS..Hα-helixtrans-67-27.9-170.4-58-64.1000114.2F505 K508 S514 V540F505-Y510 HydrophobicContact CD2-CD1 4.08Å; F505-Y510 AromaticContact CD2-CE1 3.98Å; F505-Y510 HydrophobicContact CD2-CE1 3.98Å; F505-Y510 HydrophobicContact CE2-CD1 4.36Å; F505-Y510 HydrophobicContact CE2-CE1 4.01Å; K508-Y510 VanDerWaalsContact C-N 3.34Å; K508-Y510 HydrophobicContact CB-CE2 4.04Å; K508-Y510 WeakPolarHBondContact O-CD2 3.29Å; K508-Y510 PolarHBondContact O-N 3.11Å; Y510-S514 VanDerWaalsContact O-CB 3.29Å; Y510-S514 WeakPolarHBondContact O-CB 3.32Å; Y510-S514 PolarHBondContact O-N 3.27Å; Y510-S514 PolarHBondContact O-OG 3.46Å; Y510-V540 HydrophobicContact CE1-CG1 3.98Å; Y510-V540 HydrophobicContact CE2-CG1 4.33Å; Y510-V540 WeakPolarHBondContact OH-CG1 3.28Å
511D85.8Confident85.7Confident119 Ų11961.3 Ų61.364%0.63629%0.288SS*.Hα-helixtrans-69.7-49.5179.8-61.2-22.3000111.1H509 S514 L515 R541H509-D511 VanDerWaalsContact C-N 3.3Å; H509-D511 PolarHBondContact O-N 2.89Å; D511-S514 PolarHBondContact O-N 3.12Å; D511-S514 PolarHBondContact O-OG 3.05Å; D511-L515 PolarHBondContact O-N 3.36Å; D511-R541 IonicContact OD1-CZ 3.69Å; D511-R541 IonicContact OD1-NH2 2.65Å; D511-R541 PolarHBondContact OD1-NH2 3.37Å
512E85.8Confident85.4Confident90 Ų9067.3 Ų67.342%0.42132%0.319SS..Hα-helixtrans-63.1-42.3175.1-63.1177.8156.300111Y504 H509 S514 L515 C516Y504-E512 HydrophobicContact CD1-CB 4.05Å; Y504-E512 VanDerWaalsContact CD1-OE2 3.23Å; Y504-E512 WeakPolarHBondContact CD1-OE2 3.27Å; Y504-E512 HydrophobicContact CD2-CB 3.95Å; Y504-E512 HydrophobicContact CE1-CB 4.23Å; Y504-E512 WeakPolarHBondContact CE1-OE2 3.39Å; Y504-E512 HydrophobicContact CE2-CB 4.13Å; Y504-E512 HydrophobicContact CG-CB 3.91Å; H509-E512 HydrophobicContact CB-CB 4.47Å; H509-E512 IonicContact CG-OE2 3.79Å; H509-E512 IonicContact ND1-OE2 3.22Å; H509-E512 PolarHBondContact ND1-OE2 3.04Å; E512-S514 VanDerWaalsContact C-N 3.31Å; E512-S514 PolarHBondContact O-N 2.87Å; E512-L515 PolarHBondContact O-N 3.4Å; E512-C516 PolarHBondContact O-N 3.03Å
513A85.2Confident85.1Confident0 Ų066.4 Ų66.40%031%0.313CS..Hα-helixtrans-59.1-41.4174.300000112.1F505 H509 C516 A517 I537F505-A513 HydrophobicContact CB-CB 4.41Å; H509-A513 WeakPolarHBondContact O-CB 3.25Å; H509-A513 PolarHBondContact O-N 3.44Å; A513-C516 PolarHBondContact O-N 3.26Å; A513-A517 VanDerWaalsContact O-CB 3.25Å; A513-A517 WeakPolarHBondContact O-CB 3.1Å; A513-A517 PolarHBondContact O-N 3.12Å; A513-I537 HydrophobicContact CB-CD1 3.76Å
514S85.1Confident84.4Confident20 Ų2071.3 Ų71.314%0.1434%0.342CS..Hα-helixtrans-66.9-38178.775.10000112.4Y510 D511 E512 A517 Q518Y510-S514 VanDerWaalsContact O-CB 3.29Å; Y510-S514 WeakPolarHBondContact O-CB 3.32Å; Y510-S514 PolarHBondContact O-N 3.27Å; Y510-S514 PolarHBondContact O-OG 3.46Å; D511-S514 PolarHBondContact O-N 3.12Å; D511-S514 PolarHBondContact O-OG 3.05Å; E512-S514 VanDerWaalsContact C-N 3.31Å; E512-S514 PolarHBondContact O-N 2.87Å; S514-A517 PolarHBondContact O-N 3.19Å; S514-Q518 WeakPolarHBondContact O-CB 3.33Å; S514-Q518 VanDerWaalsContact O-CG 3.26Å; S514-Q518 WeakPolarHBondContact O-CG 3.37Å; S514-Q518 PolarHBondContact O-N 3.02Å
515L85.9Confident83.9Confident82 Ų8276.5 Ų76.543%0.42937%0.371SS..Hα-helixtrans-65.6-46.3176.4-177.767.6000111.3D511 E512 A517 Q518 R519D511-L515 PolarHBondContact O-N 3.36Å; E512-L515 PolarHBondContact O-N 3.4Å; L515-A517 VanDerWaalsContact C-N 3.33Å; L515-A517 PolarHBondContact O-N 3.41Å; L515-Q518 PolarHBondContact O-N 3.18Å; L515-R519 WeakPolarHBondContact O-CG 3.44Å; L515-R519 PolarHBondContact O-N 3Å; L515-R519 VanDerWaalsContact O-N 3.1Å
516C83.8Confident83.4Confident14 Ų1474.2 Ų74.210%0.09536%0.361CS..Hα-helixtrans-60.8-43.3174.5-70.20000111.2E512 A513 R519 C520E512-C516 PolarHBondContact O-N 3.03Å; A513-C516 PolarHBondContact O-N 3.26Å; C516-R519 PolarHBondContact O-N 3.16Å; C516-C520 PolarHBondContact O-N 3.16Å; C516-C520 PolarHBondContact O-SG 3Å
517A82.3Confident83.2Confident1 Ų172 Ų721%0.00835%0.349CS..Hα-helixtrans-69-34.7-178.700000113.8A513 S514 L515 C520 C521 L533 L534A513-A517 VanDerWaalsContact O-CB 3.25Å; A513-A517 WeakPolarHBondContact O-CB 3.1Å; A513-A517 PolarHBondContact O-N 3.12Å; S514-A517 PolarHBondContact O-N 3.19Å; L515-A517 VanDerWaalsContact C-N 3.33Å; L515-A517 PolarHBondContact O-N 3.41Å; A517-C520 WeakPolarHBondContact O-CB 3.44Å; A517-C520 PolarHBondContact O-N 3.31Å; A517-C521 PolarHBondContact O-N 3.24Å; A517-C521 PolarHBondContact O-SG 2.78Å; A517-L533 HydrophobicContact CB-CB 4.42Å; A517-L533 HydrophobicContact CB-CD2 3.57Å; A517-L534 HydrophobicContact CB-CD1 4.48Å; A517-L534 HydrophobicContact CB-CD2 3.73Å; A517-L534 HydrophobicContact CB-CG 3.71Å
518Q84.9Confident82.9Confident109 Ų10976.9 Ų76.951%0.50937%0.369SS..Hα-helixtrans-62.1-48.3170.1-76171.94.400110.6S514 L515 C520 C521 L534S514-Q518 WeakPolarHBondContact O-CB 3.33Å; S514-Q518 VanDerWaalsContact O-CG 3.26Å; S514-Q518 WeakPolarHBondContact O-CG 3.37Å; S514-Q518 PolarHBondContact O-N 3.02Å; L515-Q518 PolarHBondContact O-N 3.18Å; Q518-C520 VanDerWaalsContact C-N 3.3Å; Q518-C520 PolarHBondContact O-N 3.41Å; Q518-C521 VanDerWaalsContact O-CB 3.28Å; Q518-C521 WeakPolarHBondContact O-CB 3.49Å; Q518-C521 PolarHBondContact O-N 2.68Å; Q518-L534 HydrophobicContact CG-CD1 4.36Å; Q518-L534 HydrophobicContact CG-CD2 4.31Å
519R82.8Confident82.6Confident99 Ų9974 Ų7437%0.37436%0.358SS..Hα-helixtrans-63.2-33.4176-68.8179.5-180-165.7-0.3112.7L497 L515 C516 C521 D522 Y523L497-R519 HydrophobicContact CD1-CB 4.13Å; L497-R519 HydrophobicContact CD2-CB 4.33Å; L515-R519 WeakPolarHBondContact O-CG 3.44Å; L515-R519 PolarHBondContact O-N 3Å; L515-R519 VanDerWaalsContact O-N 3.1Å; C516-R519 PolarHBondContact O-N 3.16Å; R519-C521 PolarHBondContact O-N 2.59Å; R519-D522 WeakPolarHBondContact O-CB 3.48Å; R519-D522 PolarHBondContact O-N 3.23Å; R519-Y523 VanDerWaalsContact O-CD2 3.24Å; R519-Y523 WeakPolarHBondContact O-CD2 3.48Å; R519-Y523 WeakPolarHBondContact O-CE2 3.39Å
520C81.2Confident82.3Confident4 Ų469.5 Ų69.53%0.02734%0.338CS..Hα-helixtrans-62.3-30.8171.9-71.30000112.6L497 C516 A517 Q518 D522 Y523 A526L497-C520 WeakPolarHBondContact CB-SG 3.42Å; C516-C520 PolarHBondContact O-N 3.16Å; C516-C520 PolarHBondContact O-SG 3Å; A517-C520 WeakPolarHBondContact O-CB 3.44Å; A517-C520 PolarHBondContact O-N 3.31Å; Q518-C520 VanDerWaalsContact C-N 3.3Å; Q518-C520 PolarHBondContact O-N 3.41Å; C520-D522 PolarHBondContact O-N 3.48Å; C520-Y523 PolarHBondContact O-N 2.76Å; C520-A526 HydrophobicContact CB-CB 4.28Å
521C80.5Confident82.4Confident25 Ų2570.6 Ų70.617%0.16934%0.344CS..THydrogen-bonded Turntrans-69.8-17.8-178.9-67.40000113.6A517 Q518 R519 Y523 R527A517-C521 PolarHBondContact O-N 3.24Å; A517-C521 PolarHBondContact O-SG 2.78Å; Q518-C521 VanDerWaalsContact O-CB 3.28Å; Q518-C521 WeakPolarHBondContact O-CB 3.49Å; Q518-C521 PolarHBondContact O-N 2.68Å; R519-C521 PolarHBondContact O-N 2.59Å; C521-Y523 VanDerWaalsContact C-N 3.29Å; C521-R527 WeakPolarHBondContact O-CG 3.43Å
522D79.9Confident82.4Confident128 Ų12866.7 Ų66.768%0.68433%0.328SS*.THydrogen-bonded Turntrans-75.2-21.4176.9-59.3-29.9000111.7R519 C520R519-D522 WeakPolarHBondContact O-CB 3.48Å; R519-D522 PolarHBondContact O-N 3.23Å; C520-D522 PolarHBondContact O-N 3.48Å
523Y80.1Confident82.5Confident57 Ų5763.3 Ų63.322%0.22431%0.313CS..SBendtrans-97.9132.1178.7-60.4-85.4000111.3V493 L497 R519 C520 C521 D525 A526 R527V493-Y523 HydrophobicContact CG1-CE2 4.46Å; L497-Y523 HydrophobicContact CD1-CD2 4.23Å; L497-Y523 HydrophobicContact CD1-CE2 3.6Å; R519-Y523 VanDerWaalsContact O-CD2 3.24Å; R519-Y523 WeakPolarHBondContact O-CD2 3.48Å; R519-Y523 WeakPolarHBondContact O-CE2 3.39Å; C520-Y523 PolarHBondContact O-N 2.76Å; C521-Y523 VanDerWaalsContact C-N 3.29Å; Y523-D525 PolarHBondContact O-N 3.43Å; Y523-A526 PolarHBondContact O-N 2.65Å; Y523-R527 WeakPolarHBondContact O-CB 3.45Å; Y523-R527 PolarHBondContact O-N 2.92Å; Y523-R527 VanDerWaalsContact O-N 3.13Å
524N75.6Confident82.6Confident140 Ų14065.7 Ų65.775%0.74933%0.325SS*.THydrogen-bonded Turntrans-59.5-42.2-175.6-71.8-31.9000113.3
525D78.2Confident82.6Confident130 Ų13072.5 Ų72.570%0.69535%0.348SS*.THydrogen-bonded Turntrans-72.5-32.3-174.9-60-18.8000113Y523Y523-D525 PolarHBondContact O-N 3.43Å
526A77.8Confident82.6Confident3 Ų372.9 Ų72.93%0.02535%0.348CS..THydrogen-bonded Turntrans-99.82.3-176.500000113.5C520 Y523 E528 G530C520-A526 HydrophobicContact CB-CB 4.28Å; Y523-A526 PolarHBondContact O-N 2.65Å; A526-E528 PolarHBondContact O-N 3.18Å; A526-G530 PolarHBondContact O-N 2.99Å
527R82.3Confident82.7Confident117 Ų11772.4 Ų72.444%0.44234%0.344SS..Hα-helixtrans-65.7-43-170-169.5171.1-171.3-166.31.6113.9C521 Y523 K531C521-R527 WeakPolarHBondContact O-CG 3.43Å; Y523-R527 WeakPolarHBondContact O-CB 3.45Å; Y523-R527 PolarHBondContact O-N 2.92Å; Y523-R527 VanDerWaalsContact O-N 3.13Å; R527-K531 HydrophobicContact CG-CD 4.47Å; R527-K531 WeakPolarHBondContact O-CB 3.39Å; R527-K531 VanDerWaalsContact O-CG 3.3Å; R527-K531 WeakPolarHBondContact O-CG 3.47Å; R527-K531 PolarHBondContact O-N 2.84Å
528E82.8Confident82.8Confident166 Ų16674.9 Ų74.978%0.77636%0.361SS*.Hα-helixtrans-69.8-41.8-178.3-64.4-166.4160.800111.4A526 K531 A532A526-E528 PolarHBondContact O-N 3.18Å; E528-K531 PolarHBondContact O-N 3.44Å; E528-A532 WeakPolarHBondContact O-CB 3.5Å; E528-A532 PolarHBondContact O-N 3.22Å
529E81.4Confident82.7Confident94 Ų9475.1 Ų75.144%0.43936%0.363SS..Hα-helixtrans-68.6-39.1177.2-63.4-174.5141.600111.5R498 A532 L533R498-E529 WeakPolarHBondContact CD-OE2 3.23Å; R498-E529 IonicContact CZ-OE2 2.78Å; R498-E529 IonicContact NE-OE2 3.67Å; R498-E529 IonicContact NH1-OE1 2.76Å; R498-E529 PolarHBondContact NH1-OE1 3.45Å; R498-E529 VanDerWaalsContact NH1-OE1 3.12Å; R498-E529 IonicContact NH1-OE2 2.59Å; R498-E529 PolarHBondContact NH1-OE2 2.94Å; E529-A532 PolarHBondContact O-N 3.04Å; E529-L533 WeakPolarHBondContact O-CB 2.97Å; E529-L533 PolarHBondContact O-N 3.36Å
530G83.3Confident82.6Confident3 Ų372.1 Ų72.13%0.03136%0.355CS..Hα-helixtrans-60.4-45.9172.100000112.3A526 A532 L533 L534A526-G530 PolarHBondContact O-N 2.99Å; G530-A532 VanDerWaalsContact C-N 3.35Å; G530-A532 PolarHBondContact O-N 3.39Å; G530-L533 PolarHBondContact O-N 3.37Å; G530-L534 WeakPolarHBondContact O-CG 3.36Å; G530-L534 PolarHBondContact O-N 2.68Å
531K85.4Confident82.5Confident82 Ų8276 Ų7636%0.35737%0.369SS..Hα-helixtrans-63.3-38.9174.3-74.2174.5-177.4175.70112.4R527 E528 L534 R535R527-K531 HydrophobicContact CG-CD 4.47Å; R527-K531 WeakPolarHBondContact O-CB 3.39Å; R527-K531 VanDerWaalsContact O-CG 3.3Å; R527-K531 WeakPolarHBondContact O-CG 3.47Å; R527-K531 PolarHBondContact O-N 2.84Å; E528-K531 PolarHBondContact O-N 3.44Å; K531-L534 PolarHBondContact O-N 3.04Å; K531-R535 WeakPolarHBondContact O-CG 3.25Å; K531-R535 PolarHBondContact O-N 3.31Å
532A86.9Confident82.2Confident37 Ų3779.4 Ų79.431%0.30639%0.385SS..Hα-helixtrans-63.9-44.1176.200000111.3E528 E529 G530 L534 R535 Q536E528-A532 WeakPolarHBondContact O-CB 3.5Å; E528-A532 PolarHBondContact O-N 3.22Å; E529-A532 PolarHBondContact O-N 3.04Å; G530-A532 VanDerWaalsContact C-N 3.35Å; G530-A532 PolarHBondContact O-N 3.39Å; A532-L534 PolarHBondContact O-N 2.91Å; A532-R535 PolarHBondContact O-N 3.2Å; A532-Q536 WeakPolarHBondContact O-CG 3.3Å; A532-Q536 PolarHBondContact O-N 3.01Å
533L86.9Confident81.4Confident18 Ų1880 Ų809%0.09438%0.384CS..Hα-helixtrans-64.3-39.6176.9-162.6121000111.6Q502 A517 E529 G530 R535 Q536 I537Q502-L533 HydrophobicContact CG-CD1 3.9Å; A517-L533 HydrophobicContact CB-CB 4.42Å; A517-L533 HydrophobicContact CB-CD2 3.57Å; E529-L533 WeakPolarHBondContact O-CB 2.97Å; E529-L533 PolarHBondContact O-N 3.36Å; G530-L533 PolarHBondContact O-N 3.37Å; L533-R535 PolarHBondContact O-N 3.03Å; L533-Q536 PolarHBondContact O-N 2.59Å; L533-I537 HydrophobicContact CD2-CD1 3.61Å; L533-I537 HydrophobicContact CG-CD1 4.33Å; L533-I537 VanDerWaalsContact O-CG1 3.27Å; L533-I537 WeakPolarHBondContact O-CG1 3.37Å; L533-I537 PolarHBondContact O-N 3.48Å
534L86.9Confident80.4Confident50 Ų5082.9 Ų82.926%0.26241%0.407SS..Hα-helixtrans-62.2-40.4173.7-73.7172.7000112.9A517 Q518 G530 K531 A532 I537 S538A517-L534 HydrophobicContact CB-CD1 4.48Å; A517-L534 HydrophobicContact CB-CD2 3.73Å; A517-L534 HydrophobicContact CB-CG 3.71Å; Q518-L534 HydrophobicContact CG-CD1 4.36Å; Q518-L534 HydrophobicContact CG-CD2 4.31Å; G530-L534 WeakPolarHBondContact O-CG 3.36Å; G530-L534 PolarHBondContact O-N 2.68Å; K531-L534 PolarHBondContact O-N 3.04Å; A532-L534 PolarHBondContact O-N 2.91Å; L534-I537 PolarHBondContact O-N 3.11Å; L534-S538 PolarHBondContact O-N 3.3Å
535R85.8Confident79.1Confident163 Ų16383.3 Ų83.362%0.61541%0.405SS*.Hα-helixtrans-66-38174.6-69.4173.4-166.8157.42.4112.1K531 A532 L533 S538 Q539K531-R535 WeakPolarHBondContact O-CG 3.25Å; K531-R535 PolarHBondContact O-N 3.31Å; A532-R535 PolarHBondContact O-N 3.2Å; L533-R535 PolarHBondContact O-N 3.03Å; R535-S538 PolarHBondContact O-N 3.33Å; R535-S538 PolarHBondContact O-OG 2.95Å; R535-Q539 WeakPolarHBondContact O-CB 3.4Å; R535-Q539 VanDerWaalsContact O-CG 3.25Å; R535-Q539 WeakPolarHBondContact O-CG 3.33Å; R535-Q539 PolarHBondContact O-N 3.05Å
536Q86.1Confident77.1Confident90 Ų9081.9 Ų81.942%0.42140%0.401SS..Hα-helixtrans-65.9-42.5175.5-72.1174.3000111F505 A532 L533 Q539 V540F505-Q536 HydrophobicContact CE2-CB 4.23Å; F505-Q536 HydrophobicContact CZ-CB 4.13Å; A532-Q536 WeakPolarHBondContact O-CG 3.3Å; A532-Q536 PolarHBondContact O-N 3.01Å; L533-Q536 PolarHBondContact O-N 2.59Å; Q536-Q539 PolarHBondContact O-N 3.2Å; Q536-V540 VanDerWaalsContact O-CG2 3.3Å; Q536-V540 WeakPolarHBondContact O-CG2 3.32Å; Q536-V540 PolarHBondContact O-N 3.11Å
537I85.4Confident75.3Confident4 Ų487.2 Ų87.22%0.02144%0.436CS..Hα-helixtrans-62.4-43.5175-67.4164.4000110.9F505 A513 L533 L534 V540 R541F505-I537 HydrophobicContact CD2-CD1 4.5Å; F505-I537 HydrophobicContact CD2-CG1 3.65Å; F505-I537 HydrophobicContact CE2-CG1 3.95Å; A513-I537 HydrophobicContact CB-CD1 3.76Å; L533-I537 HydrophobicContact CD2-CD1 3.61Å; L533-I537 HydrophobicContact CG-CD1 4.33Å; L533-I537 VanDerWaalsContact O-CG1 3.27Å; L533-I537 WeakPolarHBondContact O-CG1 3.37Å; L533-I537 PolarHBondContact O-N 3.48Å; L534-I537 PolarHBondContact O-N 3.11Å; I537-V540 PolarHBondContact O-N 3.37Å; I537-R541 HydrophobicContact CG2-CG 4.43Å; I537-R541 WeakPolarHBondContact O-CB 3.33Å; I537-R541 WeakPolarHBondContact O-CG 3.36Å; I537-R541 PolarHBondContact O-N 3.21Å
538S83.6Confident72.9Confident53 Ų5387.2 Ų87.237%0.37145%0.454SS..Hα-helixtrans-63.7-44.9178.270.80000111.7L534 R535 V540 R541 D542L534-S538 PolarHBondContact O-N 3.3Å; R535-S538 PolarHBondContact O-N 3.33Å; R535-S538 PolarHBondContact O-OG 2.95Å; S538-V540 VanDerWaalsContact C-N 3.32Å; S538-V540 PolarHBondContact O-N 3.12Å; S538-R541 PolarHBondContact O-N 3.32Å; S538-D542 WeakPolarHBondContact O-CB 3.42Å; S538-D542 PolarHBondContact O-N 3.42Å
539Q83.9Confident70.6Confident115 Ų11583.3 Ų83.354%0.53745%0.449SS..Hα-helixtrans-59.9-39.8176.5-74.5173.1-0.800112.9R535 Q536 Q543R535-Q539 WeakPolarHBondContact O-CB 3.4Å; R535-Q539 VanDerWaalsContact O-CG 3.25Å; R535-Q539 WeakPolarHBondContact O-CG 3.33Å; R535-Q539 PolarHBondContact O-N 3.05Å; Q536-Q539 PolarHBondContact O-N 3.2Å; Q539-Q543 VanDerWaalsContact O-CG 3.28Å; Q539-Q543 WeakPolarHBondContact O-CG 3.5Å; Q539-Q543 PolarHBondContact O-N 3.22Å; Q539-Q543 VanDerWaalsContact O-N 3.12Å
540V81.3Confident68.2Low35 Ų3585.7 Ų85.721%0.21247%0.465CS..Hα-helixtrans-71.5-37.1177.5173.70000111.2F505 Y510 Q536 I537 S538 Q543 V544F505-V540 HydrophobicContact CE2-CG2 4.32Å; F505-V540 HydrophobicContact CZ-CG2 4.22Å; Y510-V540 HydrophobicContact CE1-CG1 3.98Å; Y510-V540 HydrophobicContact CE2-CG1 4.33Å; Y510-V540 WeakPolarHBondContact OH-CG1 3.28Å; Q536-V540 VanDerWaalsContact O-CG2 3.3Å; Q536-V540 WeakPolarHBondContact O-CG2 3.32Å; Q536-V540 PolarHBondContact O-N 3.11Å; I537-V540 PolarHBondContact O-N 3.37Å; S538-V540 VanDerWaalsContact C-N 3.32Å; S538-V540 PolarHBondContact O-N 3.12Å; V540-Q543 PolarHBondContact O-N 3.42Å; V540-V544 WeakPolarHBondContact O-CG2 3.42Å; V540-V544 PolarHBondContact O-N 3.2Å
541R79.3Confident65.8Low87 Ų8793.2 Ų93.233%0.32850%0.504SS..Hα-helixtrans-65.5-43.3173.7-75.2-177.8176.3174.51.9111.8D511 I537 S538 Q543 V544 E545D511-R541 IonicContact OD1-CZ 3.69Å; D511-R541 IonicContact OD1-NH2 2.65Å; D511-R541 PolarHBondContact OD1-NH2 3.37Å; I537-R541 HydrophobicContact CG2-CG 4.43Å; I537-R541 WeakPolarHBondContact O-CB 3.33Å; I537-R541 WeakPolarHBondContact O-CG 3.36Å; I537-R541 PolarHBondContact O-N 3.21Å; S538-R541 PolarHBondContact O-N 3.32Å; R541-Q543 VanDerWaalsContact C-N 3.27Å; R541-Q543 PolarHBondContact O-N 3.41Å; R541-V544 PolarHBondContact O-N 3.3Å; R541-E545 PolarHBondContact O-N 3.41Å
542D72.4Confident63.2Low95 Ų9599 Ų9951%0.50853%0.529SS..Hα-helixtrans-62.6-32.7177-63.9-22.7000112.1S538 T546S538-D542 WeakPolarHBondContact O-CB 3.42Å; S538-D542 PolarHBondContact O-N 3.42Å; D542-T546 PolarHBondContact O-N 3.31Å
543Q64.8Low60.4Low141 Ų141103.7 Ų103.766%0.65955%0.554SS**Hα-helixtrans-74.6-24.6174.2-74.9175.510.900113.8Q539 V540 R541 T546Q539-Q543 VanDerWaalsContact O-CG 3.28Å; Q539-Q543 WeakPolarHBondContact O-CG 3.5Å; Q539-Q543 PolarHBondContact O-N 3.22Å; Q539-Q543 VanDerWaalsContact O-N 3.12Å; V540-Q543 PolarHBondContact O-N 3.42Å; R541-Q543 VanDerWaalsContact C-N 3.27Å; R541-Q543 PolarHBondContact O-N 3.41Å; Q543-T546 PolarHBondContact O-OG1 3.09Å; Q543-T546 VanDerWaalsContact O-OG1 3.09Å
544V59.3Low57.9Low117 Ų117107.9 Ų107.971%0.70958%0.582SS**Hα-helixtrans-84.2-27.2174.3174.90000110.9V540 R541V540-V544 WeakPolarHBondContact O-CG2 3.42Å; V540-V544 PolarHBondContact O-N 3.2Å; R541-V544 PolarHBondContact O-N 3.3Å
545E46.7Very low55.1Low150 Ų150113.6 Ų113.670%0.70161%0.613SS**SBendtrans-83.4-4.6177.9-74.1-174-18000114.8R541 P547R541-E545 PolarHBondContact O-N 3.41Å; E545-P547 WeakPolarHBondContact O-CD 3.2Å
546T36.4Very low52.3Low99 Ų99110.8 Ų110.861%0.60762%0.618SS**SBendtrans-74.1109.2163.4500000109.3D542 Q543 S548D542-T546 PolarHBondContact O-N 3.31Å; Q543-T546 PolarHBondContact O-OG1 3.09Å; Q543-T546 VanDerWaalsContact O-OG1 3.09Å; T546-S548 PolarHBondContact O-N 3.1Å
547P39.3Very low49.5Very low116 Ų116113.5 Ų113.575%0.75364%0.635SS**  trans-75121.5-177.829.2-26.7000108.7E545 A549E545-P547 WeakPolarHBondContact O-CD 3.2Å; P547-A549 PolarHBondContact O-N 3.42Å
548S33.6Very low46.8Very low117 Ų117120.2 Ų120.282%0.81867%0.671SS**  trans-5993.7146.954.10000106.8T546 D550T546-S548 PolarHBondContact O-N 3.1Å; S548-D550 VanDerWaalsContact C-N 3.3Å; S548-D550 PolarHBondContact O-N 2.87Å
549A34.3Very low44.2Very low83 Ų83124.6 Ų124.669%0.68669%0.691SS**  trans-57.4102.1158.100000106.2P547P547-A549 PolarHBondContact O-N 3.42Å
550D31.2Very low41.9Very low144 Ų144125.4 Ų125.477%0.7770%0.703SS**  -172.8132.3129.1-89-25.1000112.7S548S548-D550 VanDerWaalsContact C-N 3.3Å; S548-D550 PolarHBondContact O-N 2.87Å
551L33Very low39.4Very low161 Ų161129.5 Ų129.584%0.84373%0.731SS**  trans7891.4153-67.7154.4000119.4
552F29.9Very low37.3Very low204 Ų204131.1 Ų131.190%0.89575%0.75SS**  trans-47.8130.1142.1-90.7-96000112.2
553T27.7Very low35.2Very low135 Ų135138.6 Ų138.683%0.82877%0.771SS**  trans-148.4145132.543.30000110
554P34.4Very low33.4Very low106 Ų106142.1 Ų142.169%0.68878%0.778SS**  trans-104159.8-170.939-32.5000114.9
555L28.2Very low32.1Very low171 Ų171142.5 Ų142.590%0.89578%0.781SS**  trans81.6137.8165.9-57.9154.1000115
556S26.5Very low31.2Very low104 Ų104140.9 Ų140.973%0.72779%0.786SS**  cis-164.8153.135.855.60000113.1
557N29.3Very low31.1Very low146 Ų146140.9 Ų140.978%0.78179%0.787SS**  trans20.8121.8149.7-71.1-10.4000120.4
558N28.2Very low30.8Very low146 Ų146143.9 Ų143.978%0.78180%0.796SS**  -178.6126115.3-91.9-23.8000113.7
559N28.8Very low30.5Very low145 Ų145145.4 Ų145.478%0.77580%0.795SS**  trans48.8104.7141.4-62.4-16.5000120.7
560T34.6Very low30.2Very low131 Ų131149.6 Ų149.680%0.80481%0.805SS**  trans-52.8147147.148.90000112.2
561P29.8Very low30Very low121 Ų121150.8 Ų150.879%0.78681%0.81SS**  trans-125.3121.1131.732.6-21.7000111.2R563P561-R563 PolarHBondContact O-N 3.26Å
562V34.7Very low29.7Very low121 Ų121147.5 Ų147.573%0.73380%0.8SS**  trans-62.1114.2158.1173.70000107.4R564V562-R564 HydrophobicContact CG1-CB 4.37Å; V562-R564 HydrophobicContact CG1-CG 4.34Å
563R27.7Very low29.5Very low252 Ų252147.3 Ų147.395%0.95180%0.8SS**  trans-98.686.9167.3-137.1179.7-170-178.82.8109.1P561P561-R563 PolarHBondContact O-N 3.26Å
564R28.4Very low29.5Very low215 Ų215147.1 Ų147.181%0.81180%0.798SS**  trans-86125.4161.2-104.4-175.9-174-174.92.7108.4V562V562-R564 HydrophobicContact CG1-CB 4.37Å; V562-R564 HydrophobicContact CG1-CG 4.34Å
565V31.6Very low29.8Very low126 Ų126151.5 Ų151.576%0.76483%0.827SS**  trans78.5119.4148.3-169.80000119
566S28.6Very low29.9Very low115 Ų115150.6 Ų150.680%0.80482%0.824SS**  -150.5135.4113.744.30000111.7
567P34Very low30.1Very low99 Ų99153 Ų15364%0.64383%0.829SS**  trans-76.3139.3171.132.3-30.2000108.9N569P567-N569 PolarHBondContact O-N 3.31Å; P567-N569 VanDerWaalsContact O-N 3.1Å
568L31.2Very low30.1Very low179 Ų179153.4 Ų153.494%0.93783%0.831SS**  trans-63.3115.1172.5-86.3157.3000109.4L570L568-L570 PolarHBondContact O-N 2.96Å
569N27.6Very low30.2Very low150 Ų150153.8 Ų153.880%0.80283%0.834SS**  trans-56.3115.2169.2-77.7-37000110.9P567P567-N569 PolarHBondContact O-N 3.31Å; P567-N569 VanDerWaalsContact O-N 3.1Å
570L29.4Very low30.3Very low171 Ų171154.4 Ų154.490%0.89584%0.838SS**  trans-136.274.9151.3-76173.2000108.8L568L568-L570 PolarHBondContact O-N 2.96Å
571I27.3Very low30Very low168 Ų168155.9 Ų155.986%0.86284%0.84SS**  trans-117.9104.8153.1-61175.3000106.7
572S26.6Very low30.1Very low92 Ų92158.4 Ų158.464%0.64384%0.844SS**  trans165.6113.3147.253.20000104.6
573F24.8Very low29.7Very low201 Ų201161.3 Ų161.388%0.88285%0.853SS**  cis-151.2142.143.5-85.5-100.1000110.4
574T27.9Very low29.9Very low131 Ų131153.8 Ų153.880%0.80484%0.844SS**  trans-120.9162.7155.647.10000106.8
575P41.1Very low30Very low198 Ų198148.2 Ų148.2100%1.28685%0.847SS**  cis-104.6010.127.9-11.6000115.6

Retrieved 575 of 575 residues in 230.1 ms (Link to these results)

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