A0A093H2S7_STRCA Loading...

High affinity choline transporter 1

High-affinity Na(+)-coupled choline transmembrane symporter. Functions as an electrogenic, voltage-dependent transporter with variable charge/choline stoichiometry. Choline uptake and choline-induced current is also Cl(-)-dependent where Cl(-) is likely a regulatory ion rather than cotransported ion. Plays a critical role in acetylcholine (ACh) synthesis by taking up the substrate choline from the synaptic cleft into the presynaptic nerve terminals after neurotransmitter release. SLC5A7/CHT1-mediated choline high-affinity transport in cholinergic neurons is the rate-limiting step for production of ACh, thereby facilitating communication by subsequent action potentials. Localized predominantly in presynaptic terminal intracellular organelles, and translocated to the plasma membrane in active form in response to neuronal activity.

AlphaFold DB , UniProt , Accession A0A093H2S7, Species STRCA (Struthio camelus australis), Gene n/a, Length 578 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
1M38.7Very low64.6Low206 Ų20680.3 Ų80.3100%1.01543%0.43SS*.  0101.20-68.6176.8-17400107.5F3M1-F3 PolarHBondContact O-N 3.35Å
2P44.9Very low65.7Low93 Ų9379.4 Ų79.460%0.60443%0.43SS*.  trans-73.6106169.630.1-26.1000107.4H4P2-H4 PolarHBondContact O-N 3.43Å; P2-H4 VanDerWaalsContact O-N 3.11Å
3F54.8Low66.7Low112 Ų11280.2 Ų80.249%0.49144%0.438SS..  trans-62113.8170.1-164.1-96.6000107.4M1 V5 L8 V157 I159M1-F3 PolarHBondContact O-N 3.35Å; F3-V5 HydrophobicContact CD1-CG2 3.89Å; F3-V5 PolarHBondContact O-N 3.42Å; F3-L8 HydrophobicContact CE1-CD2 3.57Å; F3-L8 HydrophobicContact CZ-CD2 3.77Å; F3-V157 HydrophobicContact CE2-CG1 4.08Å; F3-V157 HydrophobicContact CZ-CG1 4.07Å; F3-I159 HydrophobicContact CE2-CG2 4.4Å
4H66.8Low67.3Low66 Ų6676.9 Ų76.931%0.30642%0.418SS..  trans-7376.7179.1-68.2-73.9000109.9P2 E6 G7 L8P2-H4 PolarHBondContact O-N 3.43Å; P2-H4 VanDerWaalsContact O-N 3.11Å; H4-E6 PolarHBondContact O-N 2.59Å; H4-G7 PolarHBondContact O-N 3.31Å; H4-L8 PolarHBondContact O-N 3.15Å
5V72.3Confident67.8Low88 Ų8873.2 Ų73.253%0.53340%0.395SS..Hα-helixtrans-53.3-39.9-178.7178.70000110.8F3 L8 V9F3-V5 HydrophobicContact CD1-CG2 3.89Å; F3-V5 PolarHBondContact O-N 3.42Å; V5-L8 PolarHBondContact O-N 2.91Å; V5-V9 HydrophobicContact CG1-CG2 4.33Å; V5-V9 WeakPolarHBondContact O-CB 3.01Å; V5-V9 VanDerWaalsContact O-CG2 3.24Å; V5-V9 WeakPolarHBondContact O-CG2 3.3Å; V5-V9 PolarHBondContact O-N 2.97Å
6E71Confident68.6Low127 Ų12775.1 Ų75.159%0.59340%0.404SS*.Hα-helixtrans-63.2-42.3178.9-59.9-178.4178.800112.3H4 V9 A10 F334H4-E6 PolarHBondContact O-N 2.59Å; E6-V9 PolarHBondContact O-N 3.05Å; E6-A10 WeakPolarHBondContact O-CB 3.44Å; E6-A10 PolarHBondContact O-N 3.23Å; E6-F334 HydrophobicContact CB-CE2 3.77Å; E6-F334 HydrophobicContact CB-CZ 4.3Å
7G68Low69.2Low0 Ų073.8 Ų73.80%041%0.406CS..Hα-helixtrans-66-43.2176.800000112.2H4 V9 A10 I11 F334H4-G7 PolarHBondContact O-N 3.31Å; G7-V9 PolarHBondContact O-N 3.44Å; G7-A10 PolarHBondContact O-N 3.24Å; G7-I11 WeakPolarHBondContact O-CG1 3.46Å; G7-I11 PolarHBondContact O-N 2.67Å; G7-F334 VanDerWaalsContact CA-CE1 3.5Å
8L73.3Confident69.6Low60 Ų6070.1 Ų70.131%0.31439%0.386SS..Hα-helixtrans-61.4-45.6175.1-178.567.6000111.6F3 H4 V5 A10 I11 V12 V157F3-L8 HydrophobicContact CE1-CD2 3.57Å; F3-L8 HydrophobicContact CZ-CD2 3.77Å; H4-L8 PolarHBondContact O-N 3.15Å; V5-L8 PolarHBondContact O-N 2.91Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.14Å; L8-I11 PolarHBondContact O-N 3.13Å; L8-V12 HydrophobicContact CD1-CG2 4.24Å; L8-V12 HydrophobicContact CG-CG2 4.35Å; L8-V12 WeakPolarHBondContact O-CB 3.29Å; L8-V12 VanDerWaalsContact O-CG2 3.25Å; L8-V12 WeakPolarHBondContact O-CG2 3.36Å; L8-V12 PolarHBondContact O-N 3.13Å; L8-V157 HydrophobicContact CD1-CG1 4.19Å; L8-V157 HydrophobicContact CD1-CG2 4.15Å
9V77.4Confident70Confident82 Ų8270 Ų7050%0.49738%0.384SS..Hα-helixtrans-61-43.6178.2170.50000110.6V5 E6 G7 V12 V13V5-V9 HydrophobicContact CG1-CG2 4.33Å; V5-V9 WeakPolarHBondContact O-CB 3.01Å; V5-V9 VanDerWaalsContact O-CG2 3.24Å; V5-V9 WeakPolarHBondContact O-CG2 3.3Å; V5-V9 PolarHBondContact O-N 2.97Å; E6-V9 PolarHBondContact O-N 3.05Å; G7-V9 PolarHBondContact O-N 3.44Å; V9-V12 PolarHBondContact O-N 3.38Å; V9-V13 HydrophobicContact CG1-CG2 4.34Å; V9-V13 WeakPolarHBondContact O-CB 3.4Å; V9-V13 VanDerWaalsContact O-CG2 3.26Å; V9-V13 WeakPolarHBondContact O-CG2 3.48Å; V9-V13 PolarHBondContact O-N 3Å
10A70.6Confident70.5Confident40 Ų4069.4 Ų69.433%0.33139%0.389SS..Hα-helixtrans-60.8-46.9177.600000112.3E6 G7 L8 V13 F14 F334E6-A10 WeakPolarHBondContact O-CB 3.44Å; E6-A10 PolarHBondContact O-N 3.23Å; G7-A10 PolarHBondContact O-N 3.24Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.14Å; A10-V13 PolarHBondContact O-N 3.26Å; A10-F14 VanDerWaalsContact O-CB 3.24Å; A10-F14 WeakPolarHBondContact O-CB 3.49Å; A10-F14 PolarHBondContact O-N 3.47Å; A10-F334 HydrophobicContact CB-CB 4.35Å
11I72.6Confident70.9Confident9 Ų968.1 Ų68.15%0.04638%0.383CS..Hα-helixtrans-61.9-46.3176.6-65.6169.3000110.9G7 L8 V13 F14 Y15 I156 V157G7-I11 WeakPolarHBondContact O-CG1 3.46Å; G7-I11 PolarHBondContact O-N 2.67Å; L8-I11 PolarHBondContact O-N 3.13Å; I11-V13 PolarHBondContact O-N 3.1Å; I11-F14 WeakPolarHBondContact O-CB 3.27Å; I11-F14 PolarHBondContact O-N 2.92Å; I11-Y15 HydrophobicContact CG2-CD1 4.22Å; I11-Y15 HydrophobicContact CG2-CD2 3.96Å; I11-Y15 HydrophobicContact CG2-CE1 4.03Å; I11-Y15 HydrophobicContact CG2-CE2 3.76Å; I11-Y15 HydrophobicContact CG2-CG 4.2Å; I11-Y15 WeakPolarHBondContact O-CB 3.15Å; I11-Y15 PolarHBondContact O-N 2.74Å; I11-I156 HydrophobicContact CD1-CB 3.9Å; I11-I156 HydrophobicContact CD1-CD1 3.49Å; I11-I156 VanDerWaalsContact CD1-CD1 3.49Å; I11-I156 HydrophobicContact CD1-CG1 4.27Å; I11-I156 HydrophobicContact CD1-CG2 3.6Å; I11-I156 HydrophobicContact CG1-CD1 4.17Å; I11-I156 HydrophobicContact CG1-CG2 4.38Å; I11-V157 HydrophobicContact CD1-CG2 4.02Å
12V77.6Confident72.6Confident70 Ų7058.5 Ų58.542%0.42434%0.337SS..Hα-helixtrans-61.9-46.2-178.4169.30000110.6L8 V9 F14 Y15 L16L8-V12 HydrophobicContact CD1-CG2 4.24Å; L8-V12 HydrophobicContact CG-CG2 4.35Å; L8-V12 WeakPolarHBondContact O-CB 3.29Å; L8-V12 VanDerWaalsContact O-CG2 3.25Å; L8-V12 WeakPolarHBondContact O-CG2 3.36Å; L8-V12 PolarHBondContact O-N 3.13Å; V9-V12 PolarHBondContact O-N 3.38Å; V12-F14 VanDerWaalsContact C-N 3.29Å; V12-F14 PolarHBondContact O-N 3.03Å; V12-Y15 PolarHBondContact O-N 3.38Å; V12-L16 HydrophobicContact CG1-CD1 3.93Å; V12-L16 HydrophobicContact CG1-CG 4.39Å; V12-L16 WeakPolarHBondContact O-CB 3.33Å; V12-L16 VanDerWaalsContact O-CG 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.27Å; V12-L16 PolarHBondContact O-N 3.14Å
13V79Confident74.1Confident89 Ų8956.9 Ų56.954%0.53932%0.323SS..Hα-helixtrans-59.9-43.2176169.90000110.7V9 A10 I11 L16 A17V9-V13 HydrophobicContact CG1-CG2 4.34Å; V9-V13 WeakPolarHBondContact O-CB 3.4Å; V9-V13 VanDerWaalsContact O-CG2 3.26Å; V9-V13 WeakPolarHBondContact O-CG2 3.48Å; V9-V13 PolarHBondContact O-N 3Å; A10-V13 PolarHBondContact O-N 3.26Å; I11-V13 PolarHBondContact O-N 3.1Å; V13-L16 PolarHBondContact O-N 3.49Å; V13-A17 WeakPolarHBondContact O-CB 3.41Å; V13-A17 PolarHBondContact O-N 3.37Å
14F75.8Confident75.3Confident35 Ų3558.2 Ų58.215%0.15432%0.324CS..Hα-helixtrans-64.6-45179.4-174.9-106.6000112.6A10 I11 V12 A17 I18 C194 G338 A342A10-F14 VanDerWaalsContact O-CB 3.24Å; A10-F14 WeakPolarHBondContact O-CB 3.49Å; A10-F14 PolarHBondContact O-N 3.47Å; I11-F14 WeakPolarHBondContact O-CB 3.27Å; I11-F14 PolarHBondContact O-N 2.92Å; V12-F14 VanDerWaalsContact C-N 3.29Å; V12-F14 PolarHBondContact O-N 3.03Å; F14-A17 WeakPolarHBondContact O-CB 3.31Å; F14-A17 PolarHBondContact O-N 3.39Å; F14-I18 HydrophobicContact CD1-CD1 3.82Å; F14-I18 HydrophobicContact CE1-CD1 3.38Å; F14-I18 HydrophobicContact CE1-CG1 4.45Å; F14-I18 HydrophobicContact CE2-CD1 4.49Å; F14-I18 HydrophobicContact CZ-CD1 3.77Å; F14-I18 WeakPolarHBondContact O-CG1 3.26Å; F14-I18 PolarHBondContact O-N 3.33Å; F14-C194 HydrophobicContact CE2-CB 4.14Å; F14-C194 HydrophobicContact CZ-CB 4.05Å; F14-G338 WeakPolarHBondContact CE1-O 3.46Å; F14-A342 HydrophobicContact CE1-CB 3.29Å; F14-A342 HydrophobicContact CZ-CB 3.39Å
15Y74.5Confident75.6Confident21 Ų2155.1 Ų55.18%0.08231%0.31CS..Hα-helixtrans-64.8-39.5175.6-76.33.9000112.3I11 V12 A17 I18 L19 I153 I171 M345I11-Y15 HydrophobicContact CG2-CD1 4.22Å; I11-Y15 HydrophobicContact CG2-CD2 3.96Å; I11-Y15 HydrophobicContact CG2-CE1 4.03Å; I11-Y15 HydrophobicContact CG2-CE2 3.76Å; I11-Y15 HydrophobicContact CG2-CG 4.2Å; I11-Y15 WeakPolarHBondContact O-CB 3.15Å; I11-Y15 PolarHBondContact O-N 2.74Å; V12-Y15 PolarHBondContact O-N 3.38Å; Y15-A17 VanDerWaalsContact C-N 3.31Å; Y15-A17 PolarHBondContact O-N 3.31Å; Y15-I18 PolarHBondContact O-N 3.15Å; Y15-L19 VanDerWaalsContact O-CB 3.3Å; Y15-L19 WeakPolarHBondContact O-CB 3.47Å; Y15-L19 PolarHBondContact O-N 3.04Å; Y15-I153 HydrophobicContact CE2-CD1 4.31Å; Y15-I153 WeakPolarHBondContact OH-CD1 3.23Å; Y15-I171 HydrophobicContact CD2-CD1 3.86Å; Y15-I171 HydrophobicContact CD2-CG2 4.31Å; Y15-I171 HydrophobicContact CE2-CD1 3.99Å; Y15-M345 HydrophobicContact CD1-CE 4.15Å; Y15-M345 HydrophobicContact CD1-SD 3.85Å; Y15-M345 HydrophobicContact CD2-CE 3.91Å; Y15-M345 HydrophobicContact CE1-CE 3.74Å; Y15-M345 HydrophobicContact CE1-SD 3.42Å; Y15-M345 WeakPolarHBondContact CE1-SD 3.5Å; Y15-M345 HydrophobicContact CE2-CE 3.47Å; Y15-M345 VanDerWaalsContact CE2-CE 3.47Å; Y15-M345 HydrophobicContact CE2-SD 4.31Å; Y15-M345 HydrophobicContact CG-CE 4.22Å; Y15-M345 HydrophobicContact CG-SD 4.45Å
16L79.9Confident75.3Confident103 Ų10351.9 Ų51.954%0.53929%0.292SS..Hα-helixtrans-63.7-37.3173.7-72.3173.8000111.8V12 V13 L19 A20V12-L16 HydrophobicContact CG1-CD1 3.93Å; V12-L16 HydrophobicContact CG1-CG 4.39Å; V12-L16 WeakPolarHBondContact O-CB 3.33Å; V12-L16 VanDerWaalsContact O-CG 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.27Å; V12-L16 PolarHBondContact O-N 3.14Å; V13-L16 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.18Å; L16-A20 VanDerWaalsContact O-CB 3.29Å; L16-A20 WeakPolarHBondContact O-CB 3.23Å; L16-A20 PolarHBondContact O-N 2.79Å
17A79.5Confident75.3Confident53 Ų5354.3 Ų54.344%0.43830%0.296SS..Hα-helixtrans-64.6-45.9175.500000111.6V13 F14 Y15 A20 V21V13-A17 WeakPolarHBondContact O-CB 3.41Å; V13-A17 PolarHBondContact O-N 3.37Å; F14-A17 WeakPolarHBondContact O-CB 3.31Å; F14-A17 PolarHBondContact O-N 3.39Å; Y15-A17 VanDerWaalsContact C-N 3.31Å; Y15-A17 PolarHBondContact O-N 3.31Å; A17-A20 PolarHBondContact O-N 3.3Å; A17-V21 WeakPolarHBondContact O-CG2 3.37Å; A17-V21 PolarHBondContact O-N 3.49Å
18I76.8Confident75.3Confident7 Ų759.5 Ų59.54%0.03632%0.319CS..Hα-helixtrans-62-45.8175.9-67.3168.4000110.6F14 Y15 A20 V21 G22 T187 Q191 A342F14-I18 HydrophobicContact CD1-CD1 3.82Å; F14-I18 HydrophobicContact CE1-CD1 3.38Å; F14-I18 HydrophobicContact CE1-CG1 4.45Å; F14-I18 HydrophobicContact CE2-CD1 4.49Å; F14-I18 HydrophobicContact CZ-CD1 3.77Å; F14-I18 WeakPolarHBondContact O-CG1 3.26Å; F14-I18 PolarHBondContact O-N 3.33Å; Y15-I18 PolarHBondContact O-N 3.15Å; I18-A20 VanDerWaalsContact C-N 3.3Å; I18-A20 PolarHBondContact O-N 2.91Å; I18-V21 PolarHBondContact O-N 3.42Å; I18-G22 PolarHBondContact O-N 3.44Å; I18-T187 HydrophobicContact CG2-CG2 3.88Å; I18-Q191 HydrophobicContact CD1-CG 3.92Å; I18-Q191 HydrophobicContact CG1-CG 4.32Å; I18-A342 HydrophobicContact CD1-CB 4.1Å
19L76.1Confident74.7Confident69 Ų6958.6 Ų58.636%0.36132%0.316SS..Hα-helixtrans-57.9-44.6176.4-171.291.1000111.1Y15 L16 G22 I23Y15-L19 VanDerWaalsContact O-CB 3.3Å; Y15-L19 WeakPolarHBondContact O-CB 3.47Å; Y15-L19 PolarHBondContact O-N 3.04Å; L16-L19 PolarHBondContact O-N 3.18Å; L19-G22 PolarHBondContact O-N 3.35Å; L19-I23 HydrophobicContact CD2-CD1 3.95Å; L19-I23 HydrophobicContact CG-CD1 3.87Å; L19-I23 HydrophobicContact CG-CG1 4.49Å; L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.47Å; L19-I23 PolarHBondContact O-N 3.21Å
20A80.3Confident73.8Confident58 Ų5861.8 Ų61.848%0.47932%0.323SS..Hα-helixtrans-62.6-42.6178.500000111.9L16 A17 I18 I23 W24L16-A20 VanDerWaalsContact O-CB 3.29Å; L16-A20 WeakPolarHBondContact O-CB 3.23Å; L16-A20 PolarHBondContact O-N 2.79Å; A17-A20 PolarHBondContact O-N 3.3Å; I18-A20 VanDerWaalsContact C-N 3.3Å; I18-A20 PolarHBondContact O-N 2.91Å; A20-I23 PolarHBondContact O-N 3.11Å; A20-W24 VanDerWaalsContact O-CB 3.22Å; A20-W24 WeakPolarHBondContact O-CB 3.46Å; A20-W24 PolarHBondContact O-N 2.76Å
21V79.1Confident73Confident42 Ų4266.7 Ų66.726%0.25534%0.344SS..Hα-helixtrans-61.9-44.5174.5172.30000110.9A17 I18 W24 A25 T187 V190A17-V21 WeakPolarHBondContact O-CG2 3.37Å; A17-V21 PolarHBondContact O-N 3.49Å; I18-V21 PolarHBondContact O-N 3.42Å; V21-W24 PolarHBondContact O-N 2.93Å; V21-A25 WeakPolarHBondContact O-CB 2.99Å; V21-A25 PolarHBondContact O-N 2.95Å; V21-T187 HydrophobicContact CG1-CG2 4.37Å; V21-V190 HydrophobicContact CG1-CG2 4.22Å
22G73.6Confident71.9Confident5 Ų571.7 Ų71.75%0.05238%0.375CS..Hα-helixtrans-62.6-47178.100000112.9I18 L19 W24 A25 A26 S183I18-G22 PolarHBondContact O-N 3.44Å; L19-G22 PolarHBondContact O-N 3.35Å; G22-W24 PolarHBondContact O-N 3.16Å; G22-A25 PolarHBondContact O-N 3.48Å; G22-A26 WeakPolarHBondContact O-CB 3.44Å; G22-A26 PolarHBondContact O-N 3.38Å; G22-S183 WeakPolarHBondContact CA-OG 3.41Å; G22-S183 PolarHBondContact O-OG 3.41Å
23I77Confident70.5Confident59 Ų5971.2 Ų71.230%0.30338%0.384SS..Hα-helixtrans-61.7-44.6176.1-68168000110.6L19 A20 A26 W27L19-I23 HydrophobicContact CD2-CD1 3.95Å; L19-I23 HydrophobicContact CG-CD1 3.87Å; L19-I23 HydrophobicContact CG-CG1 4.49Å; L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.47Å; L19-I23 PolarHBondContact O-N 3.21Å; A20-I23 PolarHBondContact O-N 3.11Å; I23-A26 PolarHBondContact O-N 3.25Å; I23-W27 HydrophobicContact CG2-CD2 4.18Å; I23-W27 HydrophobicContact CG2-CZ2 4.13Å; I23-W27 WeakPolarHBondContact O-CB 3.45Å; I23-W27 PolarHBondContact O-N 3.44Å
24W80.9Confident68.7Low140 Ų14072.4 Ų72.453%0.5340%0.397SS..Hα-helixtrans-60.1-45.9177.2171.783.5000112A20 V21 G22 W27 K28 Y186A20-W24 VanDerWaalsContact O-CB 3.22Å; A20-W24 WeakPolarHBondContact O-CB 3.46Å; A20-W24 PolarHBondContact O-N 2.76Å; V21-W24 PolarHBondContact O-N 2.93Å; G22-W24 PolarHBondContact O-N 3.16Å; W24-W27 PolarHBondContact O-N 3.24Å; W24-K28 HydrophobicContact CH2-CD 4.31Å; W24-K28 HydrophobicContact CZ2-CD 4.26Å; W24-K28 PolarHBondContact O-N 3.42Å; W24-Y186 HydrophobicContact CZ3-CD1 4.47Å
25A71.7Confident67.3Low1 Ų178.7 Ų78.71%0.00843%0.426CS..Hα-helixtrans-62.4-44.417700000111.4V21 G22 W27 K28 T29 Y186V21-A25 WeakPolarHBondContact O-CB 2.99Å; V21-A25 PolarHBondContact O-N 2.95Å; G22-A25 PolarHBondContact O-N 3.48Å; A25-W27 PolarHBondContact O-N 3.03Å; A25-K28 PolarHBondContact O-N 2.66Å; A25-T29 PolarHBondContact O-N 3.28Å; A25-T29 VanDerWaalsContact O-N 3.16Å; A25-T29 PolarHBondContact O-OG1 2.98Å; A25-T29 VanDerWaalsContact O-OG1 3.1Å; A25-Y186 HydrophobicContact CB-CD2 4.04Å; A25-Y186 HydrophobicContact CB-CG 4.16Å
26A67.5Low65.9Low19 Ų1980.6 Ų80.616%0.15745%0.452CS..Hα-helixtrans-62.1-40177.100000112.6G22 I23 K30G22-A26 WeakPolarHBondContact O-CB 3.44Å; G22-A26 PolarHBondContact O-N 3.38Å; I23-A26 PolarHBondContact O-N 3.25Å; A26-K30 PolarHBondContact O-N 3.23Å; A26-K30 VanDerWaalsContact O-N 3.15Å
27W70.4Confident64.8Low179 Ų17981 Ų8168%0.67846%0.455SS*.Hα-helixtrans-67.3-40.6176.3-78.27.6000112.7I23 W24 A25 T29 K30 N31I23-W27 HydrophobicContact CG2-CD2 4.18Å; I23-W27 HydrophobicContact CG2-CZ2 4.13Å; I23-W27 WeakPolarHBondContact O-CB 3.45Å; I23-W27 PolarHBondContact O-N 3.44Å; W24-W27 PolarHBondContact O-N 3.24Å; A25-W27 PolarHBondContact O-N 3.03Å; W27-T29 VanDerWaalsContact C-N 3.32Å; W27-T29 PolarHBondContact O-N 3.34Å; W27-K30 PolarHBondContact O-N 3.29Å; W27-N31 PolarHBondContact O-N 3.41Å
28K67.8Low63.8Low108 Ų10883.4 Ų83.447%0.4745%0.453SS..Hα-helixtrans-59.3-44.6176.9-170.5177.9179.7-176.20111.3W24 A25 N31 T32W24-K28 HydrophobicContact CH2-CD 4.31Å; W24-K28 HydrophobicContact CZ2-CD 4.26Å; W24-K28 PolarHBondContact O-N 3.42Å; A25-K28 PolarHBondContact O-N 2.66Å; K28-N31 PolarHBondContact O-N 3.49Å; K28-T32 PolarHBondContact O-OG1 3.47Å; K28-T32 VanDerWaalsContact O-OG1 3.1Å
29T60.4Low62.8Low42 Ų4283.4 Ų83.426%0.25845%0.453SS..Hα-helixtrans-69.2-35.2180-51.30000112.9A25 W27 N31 T32 Y182A25-T29 PolarHBondContact O-N 3.28Å; A25-T29 VanDerWaalsContact O-N 3.16Å; A25-T29 PolarHBondContact O-OG1 2.98Å; A25-T29 VanDerWaalsContact O-OG1 3.1Å; W27-T29 VanDerWaalsContact C-N 3.32Å; W27-T29 PolarHBondContact O-N 3.34Å; T29-N31 PolarHBondContact O-N 3.23Å; T29-T32 PolarHBondContact O-N 3.39Å; T29-T32 PolarHBondContact O-OG1 2.79Å; T29-Y182 HydrophobicContact CG2-CD2 3.7Å; T29-Y182 HydrophobicContact CG2-CE2 4.07Å; T29-Y182 HydrophobicContact CG2-CG 4.28Å
30K58.9Low62Low148 Ų14882.5 Ų82.564%0.64345%0.447SS*.Hα-helixtrans-64.8-27.7178.3-169.2-179.4174.8-1700112.6A26 W27A26-K30 PolarHBondContact O-N 3.23Å; A26-K30 VanDerWaalsContact O-N 3.15Å; W27-K30 PolarHBondContact O-N 3.29Å
31N54.6Low60.8Low143 Ų14381.2 Ų81.277%0.76544%0.437SS*.THydrogen-bonded Turntrans-88.9-9.1-178.1-73.4-7000114W27 K28 T29W27-N31 PolarHBondContact O-N 3.41Å; K28-N31 PolarHBondContact O-N 3.49Å; T29-N31 PolarHBondContact O-N 3.23Å
32T49.1Very low59.7Low115 Ų11581 Ų8171%0.70643%0.434SS*.THydrogen-bonded Turntrans-110.3-9.3-176.639.20000115.1K28 T29K28-T32 PolarHBondContact O-OG1 3.47Å; K28-T32 VanDerWaalsContact O-OG1 3.1Å; T29-T32 PolarHBondContact O-N 3.39Å; T29-T32 PolarHBondContact O-OG1 2.79Å
33G46.7Very low58.9Low60 Ų6080.9 Ų80.962%0.61943%0.432SS*.  trans-98.6129.9-174.700000115.6
34S42.8Very low58Low114 Ų11478.1 Ų78.180%0.79742%0.418SS*.  trans-67.2146.7165.2-61.70000111.5G36S34-G36 PolarHBondContact O-N 3.45Å
35E45.1Very low56.8Low167 Ų16771.4 Ų71.478%0.7839%0.392SS*.THydrogen-bonded Turntrans-63.5-7.1-167.5-69.7-167.9129.600117.1
36G45.6Very low56.2Low61 Ų6173.6 Ų73.663%0.62942%0.415SS*.THydrogen-bonded Turntrans-88.2-20.5-170.200000118.1S34S34-G36 PolarHBondContact O-N 3.45Å
37D55.8Low56.1Low110 Ų11075.3 Ų75.359%0.58842%0.417SS*.  trans-122.635.6-172.2-85.1-27.1000113S39 E40 A41D37-S39 PolarHBondContact O-N 2.93Å; D37-E40 PolarHBondContact O-N 3.18Å; D37-A41 VanDerWaalsContact O-CB 3.23Å; D37-A41 WeakPolarHBondContact O-CB 3.32Å; D37-A41 PolarHBondContact O-N 2.89Å
38R60.4Low55.7Low104 Ų10472.8 Ų72.839%0.39242%0.417SS..Hα-helixtrans-71.5-33.3-168.3-157.5171.9-172.1154.62.5112.3I42 D374R38-I42 HydrophobicContact CG-CD1 4.25Å; R38-I42 WeakPolarHBondContact O-CD1 3.38Å; R38-I42 VanDerWaalsContact O-CG1 3.23Å; R38-I42 WeakPolarHBondContact O-CG1 3.23Å; R38-I42 PolarHBondContact O-N 3.41Å; R38-D374 PolarHBondContact N-OD2 2.91Å; R38-D374 VanDerWaalsContact N-OD2 3.14Å
39S54.3Low55.6Low7 Ų768 Ų685%0.04940%0.397CS..Hα-helixtrans-72.4-43.7176.963.60000112D37 I42 I43 D374D37-S39 PolarHBondContact O-N 2.93Å; S39-I42 PolarHBondContact O-N 3.13Å; S39-I43 VanDerWaalsContact O-CG1 3.27Å; S39-I43 WeakPolarHBondContact O-CG1 3.46Å; S39-I43 PolarHBondContact O-N 3.14Å; S39-D374 VanDerWaalsContact CB-OD1 3.3Å; S39-D374 WeakPolarHBondContact CB-OD1 3.45Å; S39-D374 PolarHBondContact N-OD2 3.42Å; S39-D374 VanDerWaalsContact OG-CG 3.24Å; S39-D374 PolarHBondContact OG-OD1 3.32Å; S39-D374 PolarHBondContact OG-OD2 3.28Å
40E59Low56.1Low51 Ų5167.8 Ų67.824%0.23840%0.402CS..Hα-helixtrans-66.4-37.2175.7-170.7168.9167.800111.7D37 I42 I43 V44 G45 R47D37-E40 PolarHBondContact O-N 3.18Å; E40-I42 VanDerWaalsContact C-N 3.3Å; E40-I42 PolarHBondContact O-N 3.15Å; E40-I43 PolarHBondContact O-N 2.83Å; E40-V44 HydrophobicContact CG-CB 4.26Å; E40-V44 HydrophobicContact CG-CG2 4.37Å; E40-V44 CarbonylContact O-C 3.1Å; E40-V44 WeakPolarHBondContact O-CA 3.3Å; E40-V44 WeakPolarHBondContact O-CB 3.46Å; E40-V44 PolarHBondContact O-N 3Å; E40-G45 PolarHBondContact O-N 2.96Å; E40-R47 IonicContact OE1-CZ 2.67Å; E40-R47 IonicContact OE1-NE 3.82Å; E40-R47 PolarHBondContact OE1-NE 3.48Å; E40-R47 IonicContact OE1-NH1 3.57Å; E40-R47 PolarHBondContact OE1-NH1 3.02Å; E40-R47 IonicContact OE1-NH2 3.77Å
41A56Low56.8Low31 Ų3164.3 Ų64.326%0.25639%0.39SS..Hα-helixtrans-63.2-34173.300000113D37 G45D37-A41 VanDerWaalsContact O-CB 3.23Å; D37-A41 WeakPolarHBondContact O-CB 3.32Å; D37-A41 PolarHBondContact O-N 2.89Å; A41-G45 WeakPolarHBondContact O-CA 3.31Å; A41-G45 PolarHBondContact O-N 2.83Å; A41-G45 VanDerWaalsContact O-N 3.07Å
42I57Low57.8Low37 Ų3763.4 Ų63.419%0.1939%0.385CS..Hα-helixtrans-80.9-34.9179.3-70.9166.5000111.7R38 S39 E40 L181 V378 M381R38-I42 HydrophobicContact CG-CD1 4.25Å; R38-I42 WeakPolarHBondContact O-CD1 3.38Å; R38-I42 VanDerWaalsContact O-CG1 3.23Å; R38-I42 WeakPolarHBondContact O-CG1 3.23Å; R38-I42 PolarHBondContact O-N 3.41Å; S39-I42 PolarHBondContact O-N 3.13Å; E40-I42 VanDerWaalsContact C-N 3.3Å; E40-I42 PolarHBondContact O-N 3.15Å; I42-L181 VanDerWaalsContact O-CB 3.29Å; I42-L181 WeakPolarHBondContact O-CB 3.43Å; I42-L181 PolarHBondContact O-N 2.96Å; I42-V378 HydrophobicContact CD1-CB 4.36Å; I42-V378 HydrophobicContact CD1-CG1 3.92Å; I42-V378 HydrophobicContact CD1-CG2 3.42Å; I42-V378 VanDerWaalsContact CD1-CG2 3.42Å; I42-M381 HydrophobicContact CG2-CE 4.06Å; I42-M381 HydrophobicContact CG2-SD 3.75Å
43I56.7Low59.2Low2 Ų259.4 Ų59.41%0.0136%0.36CS..Hα-helixtrans-85.1-38.3-177.7-62.9168.9000112.4S39 E40 V112 M381S39-I43 VanDerWaalsContact O-CG1 3.27Å; S39-I43 WeakPolarHBondContact O-CG1 3.46Å; S39-I43 PolarHBondContact O-N 3.14Å; E40-I43 PolarHBondContact O-N 2.83Å; I43-V112 HydrophobicContact CG2-CG1 3.78Å; I43-M381 HydrophobicContact CD1-CE 3.95Å; I43-M381 HydrophobicContact CG1-CE 3.41Å; I43-M381 VanDerWaalsContact CG1-CE 3.41Å
44V56.5Low60.8Low1 Ų156.7 Ų56.71%0.00633%0.332CS..Hα-helixtrans-125.50.8-168.2-168.40000111.6E40 G46 R47 V112 L262 S263E40-V44 HydrophobicContact CG-CB 4.26Å; E40-V44 HydrophobicContact CG-CG2 4.37Å; E40-V44 CarbonylContact O-C 3.1Å; E40-V44 WeakPolarHBondContact O-CA 3.3Å; E40-V44 WeakPolarHBondContact O-CB 3.46Å; E40-V44 PolarHBondContact O-N 3Å; V44-G46 VanDerWaalsContact C-N 3.27Å; V44-G46 PolarHBondContact O-N 3.44Å; V44-R47 HydrophobicContact CG1-CG 3.69Å; V44-R47 PolarHBondContact O-N 3.19Å; V44-V112 HydrophobicContact CG2-CG1 3.79Å; V44-L262 WeakPolarHBondContact CG1-O 3.38Å; V44-S263 VanDerWaalsContact CG1-CA 3.44Å; V44-S263 WeakPolarHBondContact O-CB 3.17Å
45G57.3Low62.7Low0 Ų051.3 Ų51.30%030%0.295CS..G310 helixtrans6333.4175.700000112.7E40 A41 R47 Y182E40-G45 PolarHBondContact O-N 2.96Å; A41-G45 WeakPolarHBondContact O-CA 3.31Å; A41-G45 PolarHBondContact O-N 2.83Å; A41-G45 VanDerWaalsContact O-N 3.07Å; G45-R47 PolarHBondContact O-N 3.28Å; G45-Y182 WeakPolarHBondContact O-CE2 3.37Å; G45-Y182 PolarHBondContact O-OH 3.44Å
46G58.2Low64.6Low46 Ų4647.5 Ų47.547%0.47428%0.276SS..G310 helixtrans63.46.6175.100000115.7V44 D48V44-G46 VanDerWaalsContact C-N 3.27Å; V44-G46 PolarHBondContact O-N 3.44Å; G46-D48 VanDerWaalsContact C-N 3.3Å; G46-D48 PolarHBondContact O-N 3.34Å
47R64.6Low66.3Low55 Ų5544.8 Ų44.821%0.20825%0.247CC..G310 helixtrans62.127.1179.3-61.2171.7164154.8-5.2115.7E40 V44 G45 G110 Y111 S263 S265E40-R47 IonicContact OE1-CZ 2.67Å; E40-R47 IonicContact OE1-NE 3.82Å; E40-R47 PolarHBondContact OE1-NE 3.48Å; E40-R47 IonicContact OE1-NH1 3.57Å; E40-R47 PolarHBondContact OE1-NH1 3.02Å; E40-R47 IonicContact OE1-NH2 3.77Å; V44-R47 HydrophobicContact CG1-CG 3.69Å; V44-R47 PolarHBondContact O-N 3.19Å; G45-R47 PolarHBondContact O-N 3.28Å; R47-G110 PolarHBondContact NH2-O 3.08Å; R47-G110 VanDerWaalsContact NH2-O 3.15Å; R47-Y111 PolarHBondContact NH2-O 3.22Å; R47-S263 CarbonylContact C-O 3.43Å; R47-S263 VanDerWaalsContact CA-O 3.26Å; R47-S263 WeakPolarHBondContact CA-O 3.43Å; R47-S265 WeakPolarHBondContact O-CA 3.29Å
48D63.2Low67.8Low126 Ų12639.6 Ų39.667%0.67422%0.219SC*.  trans-123.332.8-179-164.726.4000112.9G46 G50G46-D48 VanDerWaalsContact C-N 3.3Å; G46-D48 PolarHBondContact O-N 3.34Å; D48-G50 PolarHBondContact O-N 3Å
49I66.3Low69.1Low9 Ų935 Ų355%0.04620%0.202CC..  trans-76.5117.4175.2-62-175.9000108.8V53 L181 Y182 Y269I49-V53 HydrophobicContact CG2-CB 4.01Å; I49-V53 HydrophobicContact CG2-CG1 3.93Å; I49-L181 HydrophobicContact CD1-CD2 4.45Å; I49-Y182 HydrophobicContact CG1-CE1 4.41Å; I49-Y269 WeakPolarHBondContact O-CE1 3.35Å; I49-Y269 PolarHBondContact O-OH 3.16Å
50G69.9Low70.5Confident37 Ų3734.7 Ų34.738%0.38120%0.201SC..  trans-66.5167.5176.900000113.9D48 L52 V53 G54 Y269D48-G50 PolarHBondContact O-N 3Å; G50-L52 PolarHBondContact O-N 2.93Å; G50-V53 PolarHBondContact O-N 2.9Å; G50-G54 PolarHBondContact O-N 3.1Å; G50-Y269 WeakPolarHBondContact CA-OH 3.29Å
51L74.3Confident71.5Confident74 Ų7432.5 Ų32.539%0.38719%0.191SC..Hα-helixtrans-72.7-39.4-157.5-17870.8000110.8G55 Y269 V272 L273L51-G55 PolarHBondContact O-N 3.31Å; L51-Y269 VanDerWaalsContact CA-CZ 3.49Å; L51-Y269 WeakPolarHBondContact CA-OH 3.45Å; L51-Y269 HydrophobicContact CB-CE2 3.74Å; L51-Y269 VanDerWaalsContact CB-OH 3.24Å; L51-Y269 WeakPolarHBondContact CB-OH 3.26Å; L51-Y269 HydrophobicContact CD1-CD2 3.84Å; L51-Y269 HydrophobicContact CD1-CE1 4.29Å; L51-Y269 HydrophobicContact CD1-CE2 3.29Å; L51-Y269 HydrophobicContact CG-CE2 4.02Å; L51-Y269 PolarHBondContact N-OH 3.46Å; L51-V272 HydrophobicContact CD1-CG1 4.05Å; L51-L273 HydrophobicContact CD1-CD2 3.68Å; L51-L273 HydrophobicContact CD1-CG 4.39Å; L51-L273 WeakPolarHBondContact O-CD2 3.39Å
52L75.7Confident72.7Confident125 Ų12531.4 Ų31.465%0.65418%0.18SC*.Hα-helixtrans-63.7-54.3176.1-64.3175.1000110.2G50 G54 G55 F56G50-L52 PolarHBondContact O-N 2.93Å; L52-G54 VanDerWaalsContact C-N 3.33Å; L52-G54 PolarHBondContact O-N 3.44Å; L52-G55 PolarHBondContact O-N 3.47Å; L52-F56 HydrophobicContact CB-CD2 4.46Å; L52-F56 HydrophobicContact CB-CE2 4.44Å; L52-F56 WeakPolarHBondContact O-CD2 3.38Å; L52-F56 PolarHBondContact O-N 3.38Å
53V78.9Confident73.8Confident31 Ų3129.7 Ų29.719%0.18817%0.172CC..Hα-helixtrans-59.7-45.8-179.4-178.90000110.5I49 G50 G55 T57 A185 V189I49-V53 HydrophobicContact CG2-CB 4.01Å; I49-V53 HydrophobicContact CG2-CG1 3.93Å; G50-V53 PolarHBondContact O-N 2.9Å; V53-G55 PolarHBondContact O-N 3.5Å; V53-T57 WeakPolarHBondContact O-CB 3.18Å; V53-T57 WeakPolarHBondContact O-CG2 3.27Å; V53-T57 PolarHBondContact O-N 3.34Å; V53-A185 HydrophobicContact CG1-CB 4.24Å; V53-V189 HydrophobicContact CB-CG2 4.39Å; V53-V189 HydrophobicContact CG1-CG2 4.06Å; V53-V189 HydrophobicContact CG2-CG2 4.48Å
54G78.8Confident74.8Confident2 Ų229.6 Ų29.62%0.02117%0.171CC..Hα-helixtrans-62.2-38.3177.300000113.5G50 L52 T57 M58 L273G50-G54 PolarHBondContact O-N 3.1Å; L52-G54 VanDerWaalsContact C-N 3.33Å; L52-G54 PolarHBondContact O-N 3.44Å; G54-T57 WeakPolarHBondContact O-CG2 3.27Å; G54-M58 WeakPolarHBondContact O-CB 3.1Å; G54-M58 PolarHBondContact O-N 3.33Å; G54-L273 VanDerWaalsContact C-CD2 3.48Å
55G83.6Confident75.6Confident2 Ų229.6 Ų29.62%0.02117%0.171CC..Hα-helixtrans-72.1-46.7179.900000111.9L51 L52 V53 M58 T59 L273L51-G55 PolarHBondContact O-N 3.31Å; L52-G55 PolarHBondContact O-N 3.47Å; V53-G55 PolarHBondContact O-N 3.5Å; G55-M58 PolarHBondContact O-N 2.88Å; G55-T59 WeakPolarHBondContact O-CB 3.49Å; G55-T59 PolarHBondContact O-N 3.16Å; G55-T59 PolarHBondContact O-OG1 2.91Å; G55-L273 VanDerWaalsContact N-CD2 3.31Å
56F84.2Confident76.4Confident87 Ų8729.8 Ų29.838%0.38217%0.173SC..Hα-helixtrans-65.3-47.2177.2-75.5-62.9000111.5L52 M58 T59 A60 V189 L192L52-F56 HydrophobicContact CB-CD2 4.46Å; L52-F56 HydrophobicContact CB-CE2 4.44Å; L52-F56 WeakPolarHBondContact O-CD2 3.38Å; L52-F56 PolarHBondContact O-N 3.38Å; F56-M58 VanDerWaalsContact C-N 3.32Å; F56-M58 PolarHBondContact O-N 3.1Å; F56-T59 WeakPolarHBondContact O-CB 3.29Å; F56-T59 PolarHBondContact O-N 3.29Å; F56-A60 VanDerWaalsContact O-CB 3.29Å; F56-A60 WeakPolarHBondContact O-CB 3.47Å; F56-A60 PolarHBondContact O-N 3.07Å; F56-V189 HydrophobicContact CB-CB 4.46Å; F56-V189 HydrophobicContact CB-CG2 3.88Å; F56-V189 HydrophobicContact CD2-CG1 4.3Å; F56-L192 HydrophobicContact CB-CD2 4.05Å; F56-L192 HydrophobicContact CD1-CD2 3.65Å; F56-L192 HydrophobicContact CD1-CG 4.39Å; F56-L192 HydrophobicContact CG-CD2 4.35Å; F56-L192 WeakPolarHBondContact O-CD2 3.43Å
57T82.7Confident77.7Confident4 Ų427.7 Ų27.73%0.02515%0.15CC..Hα-helixtrans-62.9-39.6177.4-173.20000111.3V53 G54 T59 A60 T61 A185 D188 R260V53-T57 WeakPolarHBondContact O-CB 3.18Å; V53-T57 WeakPolarHBondContact O-CG2 3.27Å; V53-T57 PolarHBondContact O-N 3.34Å; G54-T57 WeakPolarHBondContact O-CG2 3.27Å; T57-T59 VanDerWaalsContact C-N 3.32Å; T57-T59 PolarHBondContact O-N 3.07Å; T57-A60 PolarHBondContact O-N 3.43Å; T57-T61 PolarHBondContact O-N 2.97Å; T57-T61 VanDerWaalsContact O-N 3.13Å; T57-A185 HydrophobicContact CG2-CB 4.48Å; T57-D188 WeakPolarHBondContact CB-OD2 2.86Å; T57-D188 PolarHBondContact OG1-OD2 3.13Å; T57-R260 HydrophobicContact CG2-CG 4.4Å; T57-R260 PolarHBondContact O-NE 2.88Å; T57-R260 PolarHBondContact O-NH2 3.48Å; T57-R260 VanDerWaalsContact O-NH2 3.14Å; T57-R260 PolarHBondContact OG1-NE 3.4Å; T57-R260 PolarHBondContact OG1-NH2 2.92Å; T57-R260 VanDerWaalsContact OG1-NH2 3.13Å
58M86Confident78.7Confident1 Ų125 Ų251%0.00514%0.141CC..Hα-helixtrans-66.6-34.2177.1-169.7176.1-75.400113.1G54 G55 F56 L95 Y257 R260 V261 L273 S274 A277G54-M58 WeakPolarHBondContact O-CB 3.1Å; G54-M58 PolarHBondContact O-N 3.33Å; G55-M58 PolarHBondContact O-N 2.88Å; F56-M58 VanDerWaalsContact C-N 3.32Å; F56-M58 PolarHBondContact O-N 3.1Å; M58-L95 HydrophobicContact CG-CD2 4.47Å; M58-Y257 HydrophobicContact CE-CE2 4.3Å; M58-Y257 HydrophobicContact SD-CD2 4.36Å; M58-Y257 HydrophobicContact SD-CE2 4.04Å; M58-R260 HydrophobicContact CE-CB 3.6Å; M58-V261 HydrophobicContact CE-CG2 3.89Å; M58-L273 HydrophobicContact CE-CB 3.81Å; M58-L273 HydrophobicContact CE-CD1 4.44Å; M58-L273 HydrophobicContact SD-CB 3.87Å; M58-S274 WeakPolarHBondContact SD-CA 3.39Å; M58-S274 PolarHBondContact SD-N 3.23Å; M58-S274 VanDerWaalsContact SD-N 3.4Å; M58-A277 HydrophobicContact CB-CB 3.84Å; M58-A277 HydrophobicContact CG-CB 3.55Å; M58-A277 HydrophobicContact SD-CB 3.98Å
59T88.6Confident79.8Confident6 Ų619.4 Ų19.44%0.03711%0.11CC..Hα-helixtrans-67.5-48.3170.6-52.70000110.8G55 F56 T57 T61 W62 V63 L192 A277 M284G55-T59 WeakPolarHBondContact O-CB 3.49Å; G55-T59 PolarHBondContact O-N 3.16Å; G55-T59 PolarHBondContact O-OG1 2.91Å; F56-T59 WeakPolarHBondContact O-CB 3.29Å; F56-T59 PolarHBondContact O-N 3.29Å; T57-T59 VanDerWaalsContact C-N 3.32Å; T57-T59 PolarHBondContact O-N 3.07Å; T59-T61 VanDerWaalsContact C-N 3.25Å; T59-T61 PolarHBondContact O-N 3.35Å; T59-W62 PolarHBondContact O-N 2.79Å; T59-W62 VanDerWaalsContact O-N 3.13Å; T59-V63 HydrophobicContact CG2-CG2 3.83Å; T59-V63 WeakPolarHBondContact O-CG2 3.32Å; T59-V63 PolarHBondContact O-N 3.46Å; T59-L192 HydrophobicContact CG2-CD1 4.32Å; T59-L192 HydrophobicContact CG2-CD2 3.82Å; T59-A277 WeakPolarHBondContact OG1-CA 3.48Å; T59-M284 HydrophobicContact CG2-CG 4.31Å
60A83.8Confident80.6Confident2 Ų219.3 Ų19.32%0.01711%0.112CC..Hα-helixtrans-59.6-32.9-174.500000113.1F56 T57 W62 V63 D188 L192 S347F56-A60 VanDerWaalsContact O-CB 3.29Å; F56-A60 WeakPolarHBondContact O-CB 3.47Å; F56-A60 PolarHBondContact O-N 3.07Å; T57-A60 PolarHBondContact O-N 3.43Å; A60-W62 VanDerWaalsContact C-N 3.29Å; A60-W62 PolarHBondContact O-N 2.8Å; A60-V63 CarbonylContact O-C 3.59Å; A60-V63 PolarHBondContact O-N 3.11Å; A60-D188 HydrophobicContact CB-CB 3.81Å; A60-L192 HydrophobicContact CB-CB 4.32Å; A60-L192 HydrophobicContact CB-CD1 4.49Å; A60-L192 HydrophobicContact CB-CD2 4.2Å; A60-S347 PolarHBondContact O-OG 3.04Å
61T79.8Confident81.5Confident5 Ų517.7 Ų17.73%0.0319%0.094CC..THydrogen-bonded Turntrans-67.2-28.3178.6-110.70000115.4T57 T59 A256 R260 S350T57-T61 PolarHBondContact O-N 2.97Å; T57-T61 VanDerWaalsContact O-N 3.13Å; T59-T61 VanDerWaalsContact C-N 3.25Å; T59-T61 PolarHBondContact O-N 3.35Å; T61-A256 HydrophobicContact CG2-CB 3.98Å; T61-R260 PolarHBondContact OG1-NH1 3.29Å; T61-R260 PolarHBondContact OG1-NH2 2.81Å; T61-S350 WeakPolarHBondContact OG1-CB 3.23Å; T61-S350 PolarHBondContact OG1-OG 3.28Å; T61-S350 VanDerWaalsContact OG1-OG 3.04Å
62W80.1Confident82.4Confident8 Ų814.1 Ų14.13%0.038%0.076CC..THydrogen-bonded Turntrans-90.8-34.3174.6-68.7104.6000111T59 A60 G64 Y67 Y91 L95 G251 W254T59-W62 PolarHBondContact O-N 2.79Å; T59-W62 VanDerWaalsContact O-N 3.13Å; A60-W62 VanDerWaalsContact C-N 3.29Å; A60-W62 PolarHBondContact O-N 2.8Å; W62-G64 PolarHBondContact O-N 3.33Å; W62-Y67 WeakPolarHBondContact O-CB 3.16Å; W62-Y67 VanDerWaalsContact O-CG 3.31Å; W62-Y91 HydrophobicContact CD2-CD1 4.16Å; W62-Y91 HydrophobicContact CD2-CG 4.48Å; W62-Y91 AromaticContact CE3-CD1 3.31Å; W62-Y91 HydrophobicContact CE3-CD1 3.31Å; W62-Y91 AromaticContact CE3-CE1 3.68Å; W62-Y91 HydrophobicContact CE3-CE1 3.68Å; W62-Y91 AromaticContact CE3-CG 3.79Å; W62-Y91 HydrophobicContact CE3-CG 3.79Å; W62-Y91 AromaticContact CH2-CD1 3.82Å; W62-Y91 HydrophobicContact CH2-CD1 3.82Å; W62-Y91 AromaticContact CH2-CE1 3.93Å; W62-Y91 HydrophobicContact CH2-CE1 3.93Å; W62-Y91 AromaticContact CZ3-CD1 3.15Å; W62-Y91 HydrophobicContact CZ3-CD1 3.15Å; W62-Y91 AromaticContact CZ3-CE1 3.14Å; W62-Y91 HydrophobicContact CZ3-CE1 3.14Å; W62-Y91 HydrophobicContact CZ3-CG 4.09Å; W62-L95 HydrophobicContact CG-CD1 4.41Å; W62-G251 WeakPolarHBondContact CH2-O 3.16Å; W62-G251 VanDerWaalsContact CZ2-O 3.3Å; W62-G251 WeakPolarHBondContact CZ2-O 3.4Å; W62-W254 HydrophobicContact CH2-CB 3.94Å; W62-W254 HydrophobicContact CH2-CD2 4.2Å; W62-W254 HydrophobicContact CH2-CE3 4.26Å; W62-W254 HydrophobicContact CH2-CG 4.06Å; W62-W254 HydrophobicContact CZ2-CB 4.15Å
63V81.3Confident83.1Confident1 Ų110 Ų101%0.0065%0.053CC..SBendtrans-78.469.5176.7-177.50000109.9T59 A60 Y67 I68 L192 C281 M284T59-V63 HydrophobicContact CG2-CG2 3.83Å; T59-V63 WeakPolarHBondContact O-CG2 3.32Å; T59-V63 PolarHBondContact O-N 3.46Å; A60-V63 CarbonylContact O-C 3.59Å; A60-V63 PolarHBondContact O-N 3.11Å; V63-Y67 HydrophobicContact CG2-CD1 4.48Å; V63-Y67 HydrophobicContact CG2-CE1 4.23Å; V63-I68 HydrophobicContact CG1-CD1 3.79Å; V63-I68 HydrophobicContact CG1-CG1 4.08Å; V63-L192 HydrophobicContact CB-CD1 4.26Å; V63-L192 HydrophobicContact CG1-CD1 4.09Å; V63-C281 HydrophobicContact CG2-CB 4.43Å; V63-M284 HydrophobicContact CG1-CB 3.8Å; V63-M284 HydrophobicContact CG1-CE 4.22Å; V63-M284 HydrophobicContact CG1-CG 4.28Å; V63-M284 HydrophobicContact CG2-CB 3.81Å; V63-M284 HydrophobicContact CG2-CG 4.17Å
64G77.1Confident83.6Confident0 Ų08.9 Ų8.90%05%0.047CC..SBendtrans-105.4179.817700000114.2W62 G66 Y67 I68 S347W62-G64 PolarHBondContact O-N 3.33Å; G64-G66 PolarHBondContact O-N 3.08Å; G64-Y67 WeakPolarHBondContact O-CB 3.35Å; G64-Y67 PolarHBondContact O-N 3.36Å; G64-Y67 VanDerWaalsContact O-N 3.1Å; G64-I68 WeakPolarHBondContact O-CG1 3.43Å; G64-I68 PolarHBondContact O-N 3.43Å; G64-S347 WeakPolarHBondContact CA-OG 3.42Å
65G72.7Confident84.3Confident0 Ų08.8 Ų8.80%05%0.046CC..Hα-helixtrans-57.4-45.2177.800000113.6Y67 I68 N69G65-Y67 VanDerWaalsContact C-N 3.29Å; G65-Y67 PolarHBondContact O-N 3.1Å; G65-I68 PolarHBondContact O-N 3.5Å; G65-N69 WeakPolarHBondContact O-CB 3.41Å; G65-N69 PolarHBondContact O-N 3.25Å
66G75.3Confident84.8Confident4 Ų48.7 Ų8.74%0.0415%0.045CC..Hα-helixtrans-63.9-33.8175.700000113.2G64 G70G64-G66 PolarHBondContact O-N 3.08Å; G66-G70 VanDerWaalsContact O-CA 3.29Å; G66-G70 WeakPolarHBondContact O-CA 3.22Å; G66-G70 PolarHBondContact O-N 2.87Å
67Y84Confident85.1Confident2 Ų25.6 Ų5.61%0.0083%0.033CC..Hα-helixtrans-71.5-48.5178179-90.9000111.8W62 V63 G64 G65 T71 A87 P88 Y91 C281 A285W62-Y67 WeakPolarHBondContact O-CB 3.16Å; W62-Y67 VanDerWaalsContact O-CG 3.31Å; V63-Y67 HydrophobicContact CG2-CD1 4.48Å; V63-Y67 HydrophobicContact CG2-CE1 4.23Å; G64-Y67 WeakPolarHBondContact O-CB 3.35Å; G64-Y67 PolarHBondContact O-N 3.36Å; G64-Y67 VanDerWaalsContact O-N 3.1Å; G65-Y67 VanDerWaalsContact C-N 3.29Å; G65-Y67 PolarHBondContact O-N 3.1Å; Y67-T71 WeakPolarHBondContact O-CB 3.32Å; Y67-T71 PolarHBondContact O-N 2.97Å; Y67-T71 VanDerWaalsContact O-N 3.13Å; Y67-T71 PolarHBondContact O-OG1 3.1Å; Y67-A87 HydrophobicContact CD2-CB 4.19Å; Y67-A87 HydrophobicContact CE2-CB 4.31Å; Y67-P88 HydrophobicContact CE2-CB 4.49Å; Y67-P88 HydrophobicContact CE2-CG 4.5Å; Y67-P88 VanDerWaalsContact OH-CA 3.23Å; Y67-P88 WeakPolarHBondContact OH-CA 3.26Å; Y67-P88 WeakPolarHBondContact OH-CB 3.28Å; Y67-Y91 HydrophobicContact CD2-CD2 4.08Å; Y67-Y91 HydrophobicContact CE2-CD2 4.13Å; Y67-C281 PolarHBondContact OH-O 3.26Å; Y67-A285 HydrophobicContact CE1-CB 3.86Å
68I87.1Confident85.3Confident0 Ų07.8 Ų7.80%05%0.048CC..Hα-helixtrans-74.2-53.2-178-57.3178.1000110.4V63 G64 G65 T71 A72 I195 L199 A288 L320 A343V63-I68 HydrophobicContact CG1-CD1 3.79Å; V63-I68 HydrophobicContact CG1-CG1 4.08Å; G64-I68 WeakPolarHBondContact O-CG1 3.43Å; G64-I68 PolarHBondContact O-N 3.43Å; G65-I68 PolarHBondContact O-N 3.5Å; I68-T71 PolarHBondContact O-N 3.41Å; I68-A72 PolarHBondContact O-N 2.84Å; I68-A72 VanDerWaalsContact O-N 3.08Å; I68-I195 HydrophobicContact CD1-CG2 3.68Å; I68-L199 HydrophobicContact CD1-CD1 4.15Å; I68-L199 HydrophobicContact CG2-CD1 3.73Å; I68-A288 HydrophobicContact CB-CB 4.47Å; I68-A288 HydrophobicContact CG2-CB 3.66Å; I68-L320 HydrophobicContact CB-CD1 4.47Å; I68-L320 HydrophobicContact CG2-CD1 3.32Å; I68-A343 HydrophobicContact CD1-CB 3.97Å
69N85.6Confident85.2Confident7 Ų79.9 Ų9.94%0.0377%0.07CC..Hα-helixtrans-65.8-43.7-178.5-64.53.6000110.9G65 T71 A72 E73G65-N69 WeakPolarHBondContact O-CB 3.41Å; G65-N69 PolarHBondContact O-N 3.25Å; N69-T71 VanDerWaalsContact C-N 3.31Å; N69-T71 PolarHBondContact O-N 3.3Å; N69-A72 PolarHBondContact O-N 2.88Å; N69-E73 WeakPolarHBondContact O-CB 3.27Å; N69-E73 PolarHBondContact O-N 3.43Å
70G82.8Confident85.1Confident8 Ų814.4 Ų14.48%0.0829%0.087CC..Hα-helixtrans-65.5-32178.200000113.2G66 A74G66-G70 VanDerWaalsContact O-CA 3.29Å; G66-G70 WeakPolarHBondContact O-CA 3.22Å; G66-G70 PolarHBondContact O-N 2.87Å; G70-A74 VanDerWaalsContact O-CB 3.32Å; G70-A74 WeakPolarHBondContact O-CB 3.31Å; G70-A74 PolarHBondContact O-N 3.25Å
71T90.2Very high85.4Confident2 Ų214.4 Ų14.41%0.0129%0.087CC..Hα-helixtrans-67.2-44.2172.2-63.90000111.1Y67 I68 N69 A74 V75 A85 P88 A288 I289Y67-T71 WeakPolarHBondContact O-CB 3.32Å; Y67-T71 PolarHBondContact O-N 2.97Å; Y67-T71 VanDerWaalsContact O-N 3.13Å; Y67-T71 PolarHBondContact O-OG1 3.1Å; I68-T71 PolarHBondContact O-N 3.41Å; N69-T71 VanDerWaalsContact C-N 3.31Å; N69-T71 PolarHBondContact O-N 3.3Å; T71-A74 PolarHBondContact O-N 2.91Å; T71-V75 VanDerWaalsContact O-CG2 3.31Å; T71-V75 WeakPolarHBondContact O-CG2 3.24Å; T71-V75 PolarHBondContact O-N 2.86Å; T71-A85 HydrophobicContact CG2-CB 4.42Å; T71-P88 HydrophobicContact CG2-CG 3.81Å; T71-A288 HydrophobicContact CG2-CB 4.24Å; T71-I289 HydrophobicContact CG2-CD1 4.37Å; T71-I289 HydrophobicContact CG2-CG1 3.47Å; T71-I289 VanDerWaalsContact CG2-CG1 3.47Å
72A92.5Very high86Confident0 Ų017 Ų170%010%0.1CC..Hα-helixtrans-65.3-42.4177.200000112I68 N69 V75 Y76 A288 G292 I319 L320I68-A72 PolarHBondContact O-N 2.84Å; I68-A72 VanDerWaalsContact O-N 3.08Å; N69-A72 PolarHBondContact O-N 2.88Å; A72-V75 PolarHBondContact O-N 3.33Å; A72-Y76 WeakPolarHBondContact O-CB 3.34Å; A72-Y76 PolarHBondContact O-N 3.03Å; A72-A288 WeakPolarHBondContact CB-O 3.29Å; A72-G292 WeakPolarHBondContact O-CA 3.36Å; A72-I319 HydrophobicContact CB-CG2 4.03Å; A72-L320 HydrophobicContact CB-CB 3.9Å; A72-L320 HydrophobicContact CB-CD1 4.06Å; A72-L320 HydrophobicContact CB-CG 4.45Å
73E90Very high86.5Confident37 Ų3717.9 Ų17.917%0.17311%0.109CC..Hα-helixtrans-57.2-52173.8177.5-175.4-170.900110.9N69 V75 Y76 V77 A316N69-E73 WeakPolarHBondContact O-CB 3.27Å; N69-E73 PolarHBondContact O-N 3.43Å; E73-V75 VanDerWaalsContact C-N 3.27Å; E73-V75 PolarHBondContact O-N 3.5Å; E73-Y76 PolarHBondContact O-N 3.39Å; E73-V77 HydrophobicContact CG-CG2 4.09Å; E73-V77 WeakPolarHBondContact O-CG2 3.23Å; E73-V77 PolarHBondContact O-N 2.83Å; E73-A316 HydrophobicContact CG-CB 4.44Å
74A89.1Confident86.9Confident8 Ų818.9 Ų18.97%0.06611%0.113CC..Hα-helixtrans-59.3-37.8-178.500000112.7G70 T71 Y80 G81 A85G70-A74 VanDerWaalsContact O-CB 3.32Å; G70-A74 WeakPolarHBondContact O-CB 3.31Å; G70-A74 PolarHBondContact O-N 3.25Å; T71-A74 PolarHBondContact O-N 2.91Å; A74-Y80 WeakPolarHBondContact O-CB 3.19Å; A74-G81 CarbonylContact O-C 3.57Å; A74-G81 WeakPolarHBondContact O-CA 3.48Å; A74-G81 PolarHBondContact O-N 2.96Å; A74-A85 HydrophobicContact CB-CB 4.07Å
75V94.4Very high87.4Confident0 Ų019.3 Ų19.30%012%0.116CC..Hα-helixtrans-72-33.7176178.90000111.8T71 A72 E73 L82 A85 W228 I289 A293T71-V75 VanDerWaalsContact O-CG2 3.31Å; T71-V75 WeakPolarHBondContact O-CG2 3.24Å; T71-V75 PolarHBondContact O-N 2.86Å; A72-V75 PolarHBondContact O-N 3.33Å; E73-V75 VanDerWaalsContact C-N 3.27Å; E73-V75 PolarHBondContact O-N 3.5Å; V75-L82 HydrophobicContact CG2-CD1 4.31Å; V75-A85 HydrophobicContact CG2-CB 3.88Å; V75-W228 HydrophobicContact CG1-CB 4.29Å; V75-W228 HydrophobicContact CG1-CE3 3.98Å; V75-I289 HydrophobicContact CG2-CB 4.5Å; V75-I289 HydrophobicContact CG2-CG1 4.42Å; V75-I289 HydrophobicContact CG2-CG2 4.22Å; V75-A293 HydrophobicContact CG1-CB 4.07Å
76Y93.7Very high88.2Confident0 Ų019.8 Ų19.80%012%0.119CC..Hα-helixtrans-74.8-38.3179.1173.4-116.6000113.4A72 E73 P78 Q225 G295 A296 P310 M311 A316 I319A72-Y76 WeakPolarHBondContact O-CB 3.34Å; A72-Y76 PolarHBondContact O-N 3.03Å; E73-Y76 PolarHBondContact O-N 3.39Å; Y76-P78 WeakPolarHBondContact O-CD 3.35Å; Y76-Q225 PolarHBondContact O-NE2 3.49Å; Y76-G295 WeakPolarHBondContact CE2-O 3.31Å; Y76-A296 HydrophobicContact CD2-CB 4.23Å; Y76-P310 HydrophobicContact CE1-CB 4.14Å; Y76-P310 WeakPolarHBondContact OH-CD 3.45Å; Y76-M311 HydrophobicContact CE1-CB 4.06Å; Y76-M311 PolarHBondContact OH-N 3.23Å; Y76-M311 VanDerWaalsContact OH-N 3.12Å; Y76-A316 HydrophobicContact CD1-CB 3.9Å; Y76-A316 HydrophobicContact CE1-CB 3.96Å; Y76-I319 HydrophobicContact CD1-CB 3.87Å; Y76-I319 HydrophobicContact CD1-CD1 3.87Å; Y76-I319 HydrophobicContact CD1-CG1 3.75Å; Y76-I319 HydrophobicContact CD1-CG2 4.33Å; Y76-I319 HydrophobicContact CD2-CD1 3.77Å; Y76-I319 HydrophobicContact CD2-CG1 3.81Å; Y76-I319 HydrophobicContact CE1-CB 4.45Å; Y76-I319 HydrophobicContact CE1-CD1 3.8Å; Y76-I319 HydrophobicContact CE1-CG1 4.22Å; Y76-I319 HydrophobicContact CE2-CD1 3.72Å; Y76-I319 HydrophobicContact CE2-CG1 4.28Å; Y76-I319 HydrophobicContact CG-CB 4.05Å; Y76-I319 HydrophobicContact CG-CD1 3.86Å; Y76-I319 HydrophobicContact CG-CG1 3.53Å; Y76-I319 HydrophobicContact CG-CG2 4.3Å
77V90.5Very high88.8Confident22 Ų2219.9 Ų19.913%0.13312%0.119CC..SBendtrans-63.3124.2-172.7169.30000111.2E73 G79 Y80 G81 M311 A316E73-V77 HydrophobicContact CG-CG2 4.09Å; E73-V77 WeakPolarHBondContact O-CG2 3.23Å; E73-V77 PolarHBondContact O-N 2.83Å; V77-G79 PolarHBondContact O-N 2.76Å; V77-Y80 HydrophobicContact CB-CG 4.49Å; V77-Y80 HydrophobicContact CG1-CD1 4.18Å; V77-Y80 HydrophobicContact CG1-CD2 4.47Å; V77-Y80 HydrophobicContact CG1-CG 4.07Å; V77-Y80 PolarHBondContact O-N 3.46Å; V77-G81 PolarHBondContact O-N 3.38Å; V77-M311 HydrophobicContact CG1-CE 4.32Å; V77-M311 HydrophobicContact CG2-SD 4.32Å; V77-A316 HydrophobicContact CG2-CB 4.05Å
78P86.9Confident89.1Confident50 Ų5020 Ų2033%0.32512%0.12SC..THydrogen-bonded Turntrans-57.5132.6178.2-25.734.5000112.6Y76 Y80 Q225 A226 M311Y76-P78 WeakPolarHBondContact O-CD 3.35Å; P78-Y80 VanDerWaalsContact C-N 3.28Å; P78-Y80 PolarHBondContact O-N 2.92Å; P78-Q225 HydrophobicContact CG-CB 4.27Å; P78-A226 HydrophobicContact CB-CB 4.09Å; P78-M311 HydrophobicContact CG-CG 4.39Å
79G84.3Confident89.3Confident45 Ų4524.5 Ų24.546%0.46414%0.143SC..THydrogen-bonded Turntrans88.2-19.8-179.100000114.7V77V77-G79 PolarHBondContact O-N 2.76Å
80Y86.2Confident89.6Confident102 Ų10224.2 Ų24.240%0.414%0.141SC..THydrogen-bonded Turntrans-90.4-72.8176-8137.1000109.7A74 V77 P78 W84 G230A74-Y80 WeakPolarHBondContact O-CB 3.19Å; V77-Y80 HydrophobicContact CB-CG 4.49Å; V77-Y80 HydrophobicContact CG1-CD1 4.18Å; V77-Y80 HydrophobicContact CG1-CD2 4.47Å; V77-Y80 HydrophobicContact CG1-CG 4.07Å; V77-Y80 PolarHBondContact O-N 3.46Å; P78-Y80 VanDerWaalsContact C-N 3.28Å; P78-Y80 PolarHBondContact O-N 2.92Å; Y80-W84 HydrophobicContact CD2-CB 3.97Å; Y80-W84 HydrophobicContact CD2-CG 4.23Å; Y80-W84 HydrophobicContact CG-CB 4.07Å; Y80-W84 HydrophobicContact CG-CG 4.08Å; Y80-W84 VanDerWaalsContact O-CD1 3.24Å; Y80-G230 WeakPolarHBondContact O-CA 3.33Å
81G89.8Confident89.9Confident1 Ų124 Ų241%0.0114%0.138CC..SBendtrans63.2-165.9-179.100000114.2A74 V77 A83 W84 A85 W228A74-G81 CarbonylContact O-C 3.57Å; A74-G81 WeakPolarHBondContact O-CA 3.48Å; A74-G81 PolarHBondContact O-N 2.96Å; V77-G81 PolarHBondContact O-N 3.38Å; G81-A83 PolarHBondContact O-N 2.84Å; G81-A83 VanDerWaalsContact O-N 3.16Å; G81-W84 PolarHBondContact O-N 2.86Å; G81-A85 PolarHBondContact O-N 2.93Å; G81-W228 CarbonylContact C-O 3.36Å; G81-W228 WeakPolarHBondContact CA-O 3.24Å
82L92.2Very high90.1Very high60 Ų6024.1 Ų24.131%0.31414%0.139SC..G310 helixtrans-55.4-33.9179.5-177.562.9000112.6V75 W84 A85 W228 L229 I289V75-L82 HydrophobicContact CG2-CD1 4.31Å; L82-W84 PolarHBondContact O-N 3.03Å; L82-A85 HydrophobicContact CD1-CB 4.34Å; L82-A85 PolarHBondContact O-N 2.94Å; L82-A85 VanDerWaalsContact O-N 3.11Å; L82-W228 HydrophobicContact CB-CE3 4.4Å; L82-W228 HydrophobicContact CB-CZ3 4.37Å; L82-W228 HydrophobicContact CD2-CZ3 4.27Å; L82-W228 PolarHBondContact N-O 3.43Å; L82-L229 HydrophobicContact CB-CD1 4.46Å; L82-L229 HydrophobicContact CD2-CD1 3.94Å; L82-L229 PolarHBondContact N-O 3.49Å; L82-I289 HydrophobicContact CD1-CD1 3.97Å; L82-I289 HydrophobicContact CD1-CG1 4.18Å; L82-I289 HydrophobicContact CD1-CG2 3.74Å
83A90.8Very high90.2Very high27 Ų2727.1 Ų27.122%0.22315%0.154CC..G310 helixtrans-56.9-29.917800000113.6G81 L229 I232 W240G81-A83 PolarHBondContact O-N 2.84Å; G81-A83 VanDerWaalsContact O-N 3.16Å; A83-L229 PolarHBondContact N-O 2.83Å; A83-I232 HydrophobicContact CB-CG1 3.98Å; A83-W240 PolarHBondContact O-NE1 3.39Å
84W88.8Confident90.4Very high22 Ų2225.4 Ų25.48%0.08315%0.147CC..G310 helixtrans-100.4-7179-76.585.5000113.8Y80 G81 L82 Q86 E236 W240Y80-W84 HydrophobicContact CD2-CB 3.97Å; Y80-W84 HydrophobicContact CD2-CG 4.23Å; Y80-W84 HydrophobicContact CG-CB 4.07Å; Y80-W84 HydrophobicContact CG-CG 4.08Å; Y80-W84 VanDerWaalsContact O-CD1 3.24Å; G81-W84 PolarHBondContact O-N 2.86Å; L82-W84 PolarHBondContact O-N 3.03Å; W84-Q86 PolarHBondContact O-N 3.21Å; W84-E236 HydrophobicContact CH2-CB 4.16Å; W84-E236 HydrophobicContact CZ2-CB 3.94Å; W84-E236 WeakPolarHBondContact CZ2-OE2 3.46Å; W84-W240 AromaticContact CD2-CD1 3.97Å; W84-W240 AromaticContact CE3-CD1 3.99Å; W84-W240 HydrophobicContact CH2-CB 4.31Å
85A89.6Confident90.6Very high8 Ų825.1 Ų25.17%0.06614%0.144CC..  trans-7463172.100000111.4T71 A74 V75 G81 L82 A87 P88T71-A85 HydrophobicContact CG2-CB 4.42Å; A74-A85 HydrophobicContact CB-CB 4.07Å; V75-A85 HydrophobicContact CG2-CB 3.88Å; G81-A85 PolarHBondContact O-N 2.93Å; L82-A85 HydrophobicContact CD1-CB 4.34Å; L82-A85 PolarHBondContact O-N 2.94Å; L82-A85 VanDerWaalsContact O-N 3.11Å; A85-A87 VanDerWaalsContact C-N 3.35Å; A85-A87 PolarHBondContact O-N 3.37Å; A85-P88 VanDerWaalsContact O-CD 3.26Å; A85-P88 WeakPolarHBondContact O-CD 3.16Å
86Q89.4Confident90.7Very high11 Ų1128.1 Ų28.15%0.05116%0.159CC..  trans-72.8-25.1-174.8-67.7-177.70.600113.7W84 I89 G90 W240 F244 L247W84-Q86 PolarHBondContact O-N 3.21Å; Q86-I89 PolarHBondContact O-N 3.48Å; Q86-G90 PolarHBondContact O-N 2.81Å; Q86-W240 HydrophobicContact CG-CZ2 3.93Å; Q86-W240 PolarHBondContact NE2-O 3.01Å; Q86-F244 HydrophobicContact CB-CD2 4.13Å; Q86-F244 HydrophobicContact CG-CD2 4.22Å; Q86-F244 VanDerWaalsContact OE1-CA 3.28Å; Q86-L247 HydrophobicContact CB-CD1 3.64Å
87A86.6Confident90.8Very high5 Ų529.8 Ų29.84%0.04117%0.169CC..Hα-helixtrans-48.4-52.5-173.400000113Y67 A85 I89 G90 Y91 W406Y67-A87 HydrophobicContact CD2-CB 4.19Å; Y67-A87 HydrophobicContact CE2-CB 4.31Å; A85-A87 VanDerWaalsContact C-N 3.35Å; A85-A87 PolarHBondContact O-N 3.37Å; A87-I89 VanDerWaalsContact C-N 3.35Å; A87-I89 PolarHBondContact O-N 3.43Å; A87-G90 PolarHBondContact O-N 2.93Å; A87-Y91 HydrophobicContact CB-CD2 4.27Å; A87-Y91 HydrophobicContact CB-CE2 4.27Å; A87-Y91 WeakPolarHBondContact O-CD2 3.44Å; A87-Y91 PolarHBondContact O-N 2.91Å; A87-W406 HydrophobicContact CB-CH2 3.39Å; A87-W406 HydrophobicContact CB-CZ2 3.82Å
88P90.7Very high90.9Very high5 Ų528.7 Ų28.73%0.03216%0.163CC..Hα-helixtrans-62.2-43.9-173-26.738.9000113.2Y67 T71 A85 S92 L282 A285Y67-P88 HydrophobicContact CE2-CB 4.49Å; Y67-P88 HydrophobicContact CE2-CG 4.5Å; Y67-P88 VanDerWaalsContact OH-CA 3.23Å; Y67-P88 WeakPolarHBondContact OH-CA 3.26Å; Y67-P88 WeakPolarHBondContact OH-CB 3.28Å; T71-P88 HydrophobicContact CG2-CG 3.81Å; A85-P88 VanDerWaalsContact O-CD 3.26Å; A85-P88 WeakPolarHBondContact O-CD 3.16Å; P88-S92 VanDerWaalsContact O-CB 3.25Å; P88-S92 WeakPolarHBondContact O-CB 3.4Å; P88-S92 PolarHBondContact O-N 3.32Å; P88-S92 PolarHBondContact O-OG 2.84Å; P88-L282 HydrophobicContact CB-CD2 4.45Å; P88-L282 WeakPolarHBondContact O-CD2 3.42Å; P88-A285 HydrophobicContact CB-CB 3.53Å; P88-A285 HydrophobicContact CG-CB 3.6Å
89I92.4Very high91.2Very high95 Ų9526.3 Ų26.349%0.48715%0.148SC..Hα-helixtrans-73.2-44.1-180-57.9176.7000110.1Q86 A87 S92 L93 F244Q86-I89 PolarHBondContact O-N 3.48Å; A87-I89 VanDerWaalsContact C-N 3.35Å; A87-I89 PolarHBondContact O-N 3.43Å; I89-S92 PolarHBondContact O-N 3.15Å; I89-L93 HydrophobicContact CG2-CD1 3.98Å; I89-L93 HydrophobicContact CG2-CG 4.45Å; I89-L93 WeakPolarHBondContact O-CB 3.35Å; I89-L93 WeakPolarHBondContact O-CG 3.48Å; I89-L93 PolarHBondContact O-N 3.14Å; I89-F244 HydrophobicContact CB-CE2 4.28Å; I89-F244 HydrophobicContact CG2-CE2 4Å; I89-F244 HydrophobicContact CG2-CZ 3.92Å
90G91.8Very high91.7Very high0 Ų028.2 Ų28.20%015%0.147CC..Hα-helixtrans-59.3-51.9-178.200000113.1Q86 A87 L93 S94Q86-G90 PolarHBondContact O-N 2.81Å; A87-G90 PolarHBondContact O-N 2.93Å; G90-L93 PolarHBondContact O-N 3.21Å; G90-S94 PolarHBondContact O-N 3.38Å
91Y89.1Confident92.1Very high4 Ų429.1 Ų29.12%0.01615%0.153CC..Hα-helixtrans-71.5-32.1179.5-69.9-65.5000113.2W62 Y67 A87 L93 S94 L95 L247 W406 S410W62-Y91 HydrophobicContact CD2-CD1 4.16Å; W62-Y91 HydrophobicContact CD2-CG 4.48Å; W62-Y91 AromaticContact CE3-CD1 3.31Å; W62-Y91 HydrophobicContact CE3-CD1 3.31Å; W62-Y91 AromaticContact CE3-CE1 3.68Å; W62-Y91 HydrophobicContact CE3-CE1 3.68Å; W62-Y91 AromaticContact CE3-CG 3.79Å; W62-Y91 HydrophobicContact CE3-CG 3.79Å; W62-Y91 AromaticContact CH2-CD1 3.82Å; W62-Y91 HydrophobicContact CH2-CD1 3.82Å; W62-Y91 AromaticContact CH2-CE1 3.93Å; W62-Y91 HydrophobicContact CH2-CE1 3.93Å; W62-Y91 AromaticContact CZ3-CD1 3.15Å; W62-Y91 HydrophobicContact CZ3-CD1 3.15Å; W62-Y91 AromaticContact CZ3-CE1 3.14Å; W62-Y91 HydrophobicContact CZ3-CE1 3.14Å; W62-Y91 HydrophobicContact CZ3-CG 4.09Å; Y67-Y91 HydrophobicContact CD2-CD2 4.08Å; Y67-Y91 HydrophobicContact CE2-CD2 4.13Å; A87-Y91 HydrophobicContact CB-CD2 4.27Å; A87-Y91 HydrophobicContact CB-CE2 4.27Å; A87-Y91 WeakPolarHBondContact O-CD2 3.44Å; A87-Y91 PolarHBondContact O-N 2.91Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; Y91-S94 VanDerWaalsContact O-CB 3.24Å; Y91-S94 WeakPolarHBondContact O-CB 3.47Å; Y91-S94 PolarHBondContact O-N 3.47Å; Y91-L95 WeakPolarHBondContact O-CG 3.29Å; Y91-L95 PolarHBondContact O-N 3.02Å; Y91-L247 HydrophobicContact CE2-CD2 3.71Å; Y91-L247 VanDerWaalsContact OH-CD2 3.31Å; Y91-L247 WeakPolarHBondContact OH-CD2 3.41Å; Y91-W406 HydrophobicContact CD2-CZ2 4.44Å; Y91-W406 HydrophobicContact CE2-CH2 4.16Å; Y91-W406 AromaticContact CE2-CZ2 3.39Å; Y91-W406 HydrophobicContact CE2-CZ2 3.39Å; Y91-W406 AromaticContact CZ-CZ2 3.97Å; Y91-W406 PolarHBondContact OH-NE1 3.21Å; Y91-S410 PolarHBondContact OH-OG 2.62Å
92S92.9Very high92.4Very high4 Ų429.3 Ų29.33%0.02815%0.153CC..Hα-helixtrans-65.4-41.4174.8-57.50000111P88 I89 S94 L95 I96 A278 L282P88-S92 VanDerWaalsContact O-CB 3.25Å; P88-S92 WeakPolarHBondContact O-CB 3.4Å; P88-S92 PolarHBondContact O-N 3.32Å; P88-S92 PolarHBondContact O-OG 2.84Å; I89-S92 PolarHBondContact O-N 3.15Å; S92-S94 VanDerWaalsContact C-N 3.35Å; S92-L95 PolarHBondContact O-N 3.31Å; S92-I96 WeakPolarHBondContact O-CG1 3.38Å; S92-I96 PolarHBondContact O-N 3.07Å; S92-A278 WeakPolarHBondContact O-CB 3.43Å; S92-A278 PolarHBondContact OG-O 3.4Å; S92-L282 WeakPolarHBondContact OG-CD2 3.44Å; S92-L282 WeakPolarHBondContact OG-CG 3.02Å
93L95.1Very high92.4Very high63 Ų6326.4 Ų26.433%0.3314%0.138SC..Hα-helixtrans-65.2-38.4170.8-72.8174.4000112I89 G90 Y91 L95 I96 V97 F244 I248I89-L93 HydrophobicContact CG2-CD1 3.98Å; I89-L93 HydrophobicContact CG2-CG 4.45Å; I89-L93 WeakPolarHBondContact O-CB 3.35Å; I89-L93 WeakPolarHBondContact O-CG 3.48Å; I89-L93 PolarHBondContact O-N 3.14Å; G90-L93 PolarHBondContact O-N 3.21Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-L95 PolarHBondContact O-N 3.41Å; L93-I96 HydrophobicContact CD2-CD1 4.49Å; L93-I96 PolarHBondContact O-N 2.99Å; L93-V97 WeakPolarHBondContact O-CB 3.11Å; L93-V97 VanDerWaalsContact O-CG2 3.3Å; L93-V97 WeakPolarHBondContact O-CG2 3.31Å; L93-V97 PolarHBondContact O-N 3.3Å; L93-F244 HydrophobicContact CD1-CE1 4.32Å; L93-F244 HydrophobicContact CD1-CZ 3.79Å; L93-I248 HydrophobicContact CB-CD1 4.28Å; L93-I248 HydrophobicContact CB-CG1 4.03Å; L93-I248 HydrophobicContact CB-CG2 4.37Å; L93-I248 HydrophobicContact CD1-CD1 3.83Å; L93-I248 HydrophobicContact CD1-CG1 4.35Å
94S94.1Very high92.4Very high2 Ų231 Ų311%0.01415%0.153CC..Hα-helixtrans-55.6-47173.8-165.50000111.9G90 Y91 S92 V97 G98 I248 G251 I252G90-S94 PolarHBondContact O-N 3.38Å; Y91-S94 VanDerWaalsContact O-CB 3.24Å; Y91-S94 WeakPolarHBondContact O-CB 3.47Å; Y91-S94 PolarHBondContact O-N 3.47Å; S92-S94 VanDerWaalsContact C-N 3.35Å; S94-V97 PolarHBondContact O-N 3.3Å; S94-G98 WeakPolarHBondContact O-CA 3.42Å; S94-G98 PolarHBondContact O-N 2.91Å; S94-I248 WeakPolarHBondContact CA-O 3.22Å; S94-I248 WeakPolarHBondContact CB-O 3.4Å; S94-I248 PolarHBondContact OG-O 3.26Å; S94-G251 VanDerWaalsContact OG-CA 3.27Å; S94-G251 WeakPolarHBondContact OG-CA 3.25Å; S94-I252 PolarHBondContact OG-N 3.47Å; S94-I252 VanDerWaalsContact OG-N 3.11Å
95L93.6Very high92.5Very high1 Ų131.2 Ų31.21%0.00516%0.157CC..Hα-helixtrans-64.5-40.7176.6-76.2171.3000112.4M58 W62 Y91 S92 L93 G99 Y257 S274 A277 A278M58-L95 HydrophobicContact CG-CD2 4.47Å; W62-L95 HydrophobicContact CG-CD1 4.41Å; Y91-L95 WeakPolarHBondContact O-CG 3.29Å; Y91-L95 PolarHBondContact O-N 3.02Å; S92-L95 PolarHBondContact O-N 3.31Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-L95 PolarHBondContact O-N 3.41Å; L95-G99 PolarHBondContact O-N 3.27Å; L95-Y257 HydrophobicContact CD2-CD2 3.56Å; L95-Y257 HydrophobicContact CD2-CE2 3.53Å; L95-S274 WeakPolarHBondContact O-CB 2.99Å; L95-A277 HydrophobicContact CD1-CB 3.89Å; L95-A278 HydrophobicContact CB-CB 3.8Å; L95-A278 HydrophobicContact CD1-CB 4.4Å
96I95.4Very high92.6Very high63 Ų6330.8 Ų30.832%0.32315%0.154SC..Hα-helixtrans-63.7-51.2176.1-68.6165000110.7S92 L93 G99 L100 F275 A278S92-I96 WeakPolarHBondContact O-CG1 3.38Å; S92-I96 PolarHBondContact O-N 3.07Å; L93-I96 HydrophobicContact CD2-CD1 4.49Å; L93-I96 PolarHBondContact O-N 2.99Å; I96-G99 PolarHBondContact O-N 2.91Å; I96-L100 HydrophobicContact CG2-CD1 3.83Å; I96-L100 HydrophobicContact CG2-CG 4.49Å; I96-L100 WeakPolarHBondContact O-CB 3.14Å; I96-L100 WeakPolarHBondContact O-CG 3.26Å; I96-L100 PolarHBondContact O-N 3.36Å; I96-F275 HydrophobicContact CG1-CD1 4.38Å; I96-F275 HydrophobicContact CG2-CE1 4.3Å; I96-A278 HydrophobicContact CD1-CB 4.14Å; I96-A278 HydrophobicContact CG1-CB 3.63Å
97V96Very high92.6Very high35 Ų3532 Ų3221%0.21216%0.158CC..Hα-helixtrans-65.7-44.2-179.3176.20000110.5L93 S94 G99 L100 F101 F102 I252L93-V97 WeakPolarHBondContact O-CB 3.11Å; L93-V97 VanDerWaalsContact O-CG2 3.3Å; L93-V97 WeakPolarHBondContact O-CG2 3.31Å; L93-V97 PolarHBondContact O-N 3.3Å; S94-V97 PolarHBondContact O-N 3.3Å; V97-G99 VanDerWaalsContact C-N 3.33Å; V97-G99 PolarHBondContact O-N 3.4Å; V97-L100 PolarHBondContact O-N 2.98Å; V97-F101 HydrophobicContact CG1-CD2 3.95Å; V97-F101 HydrophobicContact CG1-CE2 4.46Å; V97-F101 WeakPolarHBondContact O-CD2 3.37Å; V97-F101 PolarHBondContact O-N 3.34Å; V97-F102 HydrophobicContact CG1-CE2 4.39Å; V97-I252 HydrophobicContact CB-CD1 4.09Å; V97-I252 HydrophobicContact CG1-CD1 3.62Å
98G94.2Very high92.6Very high0 Ų035.5 Ų35.50%018%0.183CC..Iπ-helixtrans-57.2-44.3173.700000112.3S94 F102 A103 Y257S94-G98 WeakPolarHBondContact O-CA 3.42Å; S94-G98 PolarHBondContact O-N 2.91Å; G98-F102 CarbonylContact O-C 3.51Å; G98-F102 WeakPolarHBondContact O-CA 3.23Å; G98-F102 WeakPolarHBondContact O-CB 3.39Å; G98-F102 PolarHBondContact O-N 3.49Å; G98-A103 PolarHBondContact O-N 3.04Å; G98-Y257 PolarHBondContact O-OH 3Å
99G93.1Very high92.4Very high0 Ų040.4 Ų40.40%020%0.203CC..Iπ-helixtrans-67.1-45.1177.600000113L95 I96 V97 Y257 Q271L95-G99 PolarHBondContact O-N 3.27Å; I96-G99 PolarHBondContact O-N 2.91Å; V97-G99 VanDerWaalsContact C-N 3.33Å; V97-G99 PolarHBondContact O-N 3.4Å; G99-Y257 PolarHBondContact N-OH 3.41Å; G99-Q271 VanDerWaalsContact O-CG 3.28Å; G99-Q271 WeakPolarHBondContact O-CG 3.17Å; G99-Q271 PolarHBondContact O-NE2 3.36Å
100L94.2Very high92Very high85 Ų8537.5 Ų37.545%0.44520%0.197SC..Iπ-helixtrans-64.3-49.9-179.5-76.6168000112.2I96 V97 Q271 F275I96-L100 HydrophobicContact CG2-CD1 3.83Å; I96-L100 HydrophobicContact CG2-CG 4.49Å; I96-L100 WeakPolarHBondContact O-CB 3.14Å; I96-L100 WeakPolarHBondContact O-CG 3.26Å; I96-L100 PolarHBondContact O-N 3.36Å; V97-L100 PolarHBondContact O-N 2.98Å; L100-Q271 PolarHBondContact O-NE2 2.98Å; L100-F275 HydrophobicContact CD2-CE1 4.14Å; L100-F275 HydrophobicContact CD2-CZ 3.59Å; L100-F275 HydrophobicContact CG-CE1 3.79Å; L100-F275 HydrophobicContact CG-CZ 3.71Å
101F95Very high91.8Very high121 Ų12138 Ų3853%0.53120%0.199SC..Iπ-helixtrans-104.7-33.7-166.7-60.9-72.3000113.9V97 P105 F426V97-F101 HydrophobicContact CG1-CD2 3.95Å; V97-F101 HydrophobicContact CG1-CE2 4.46Å; V97-F101 WeakPolarHBondContact O-CD2 3.37Å; V97-F101 PolarHBondContact O-N 3.34Å; F101-P105 WeakPolarHBondContact O-CD 3.09Å; F101-P105 WeakPolarHBondContact O-CG 3.38Å; F101-F426 HydrophobicContact CB-CZ 4.22Å; F101-F426 WeakPolarHBondContact O-CZ 3.13Å
102F94.9Very high91.3Very high4 Ų438.2 Ų38.22%0.01820%0.201CC..Iπ-helixtrans-107.1-32.3-167.7-60.6-99.9000114V97 G98 K104 P105 M106 I252 F258 F418 L421 L422 L425 F426V97-F102 HydrophobicContact CG1-CE2 4.39Å; G98-F102 CarbonylContact O-C 3.51Å; G98-F102 WeakPolarHBondContact O-CA 3.23Å; G98-F102 WeakPolarHBondContact O-CB 3.39Å; G98-F102 PolarHBondContact O-N 3.49Å; F102-K104 PolarHBondContact O-N 3.13Å; F102-P105 VanDerWaalsContact O-CD 3.26Å; F102-P105 WeakPolarHBondContact O-CD 3.48Å; F102-P105 WeakPolarHBondContact O-CG 3.3Å; F102-M106 VanDerWaalsContact O-CB 3.26Å; F102-M106 WeakPolarHBondContact O-CB 3.38Å; F102-M106 WeakPolarHBondContact O-CG 3.47Å; F102-M106 PolarHBondContact O-N 2.88Å; F102-M106 VanDerWaalsContact O-N 3.14Å; F102-I252 HydrophobicContact CB-CG2 4.39Å; F102-I252 HydrophobicContact CD1-CG2 4.04Å; F102-I252 HydrophobicContact CD2-CD1 4.49Å; F102-I252 HydrophobicContact CD2-CG2 3.68Å; F102-I252 HydrophobicContact CE1-CG2 4.19Å; F102-I252 HydrophobicContact CE2-CD1 3.99Å; F102-I252 HydrophobicContact CE2-CG2 3.85Å; F102-I252 HydrophobicContact CG-CG2 3.78Å; F102-I252 HydrophobicContact CZ-CG2 4.09Å; F102-F258 HydrophobicContact CB-CE1 4.18Å; F102-F258 HydrophobicContact CB-CZ 3.8Å; F102-F418 AromaticContact CZ-CE2 3.95Å; F102-F418 HydrophobicContact CZ-CE2 3.95Å; F102-L421 HydrophobicContact CD1-CD2 3.4Å; F102-L421 VanDerWaalsContact CD1-CD2 3.4Å; F102-L421 HydrophobicContact CD1-CG 3.9Å; F102-L421 HydrophobicContact CE1-CD2 3.42Å; F102-L421 VanDerWaalsContact CE1-CD2 3.42Å; F102-L421 HydrophobicContact CE1-CG 3.8Å; F102-L421 HydrophobicContact CG-CD2 4.44Å; F102-L421 HydrophobicContact CZ-CD2 4.46Å; F102-L422 HydrophobicContact CE1-CD2 4.06Å; F102-L422 HydrophobicContact CZ-CD2 3.62Å; F102-L425 HydrophobicContact CD1-CD1 3.77Å; F102-L425 HydrophobicContact CE1-CD1 4.41Å; F102-F426 AromaticContact CD1-CE2 3.95Å; F102-F426 HydrophobicContact CD1-CE2 3.95Å; F102-F426 HydrophobicContact CD1-CZ 4.28Å; F102-F426 AromaticContact CE1-CE2 3.54Å; F102-F426 HydrophobicContact CE1-CE2 3.54Å; F102-F426 HydrophobicContact CE1-CZ 4.27Å; F102-F426 AromaticContact CZ-CE2 3.87Å; F102-F426 HydrophobicContact CZ-CE2 3.87Å
103A92Very high91.1Very high0 Ų038 Ų380%020%0.2CC..Iπ-helixtrans-60.7-45.7-176.600000112.3G98 R107 V261 A270 Q271G98-A103 PolarHBondContact O-N 3.04Å; A103-R107 VanDerWaalsContact O-CB 3.25Å; A103-R107 WeakPolarHBondContact O-CB 3.31Å; A103-R107 PolarHBondContact O-N 2.73Å; A103-V261 HydrophobicContact CB-CG1 3.84Å; A103-V261 HydrophobicContact CB-CG2 4.3Å; A103-A270 HydrophobicContact CB-CB 4.24Å; A103-Q271 HydrophobicContact CB-CG 4.24Å
104K91.1Very high90.9Very high122 Ų12235.1 Ų35.153%0.5318%0.184SC..Hα-helixtrans-61.2-57.4178.8-179.2173.7-177178.20113.5F102 M106 R107 S108 A267F102-K104 PolarHBondContact O-N 3.13Å; K104-M106 VanDerWaalsContact C-N 3.28Å; K104-M106 PolarHBondContact O-N 3.32Å; K104-R107 PolarHBondContact O-N 2.95Å; K104-S108 VanDerWaalsContact O-CB 3.28Å; K104-S108 WeakPolarHBondContact O-CB 3.16Å; K104-S108 PolarHBondContact O-N 3.17Å; K104-S108 PolarHBondContact O-OG 3.18Å; K104-S108 VanDerWaalsContact O-OG 3.05Å; K104-A267 HydrophobicContact CB-CB 4.46Å; K104-A267 HydrophobicContact CG-CB 4.1Å
105P91.5Very high90.8Very high27 Ų2735.1 Ų35.118%0.17518%0.184CC..Hα-helixtrans-64.4-32.8-178.124.2-34.4000113F101 F102 S108 K109F101-P105 WeakPolarHBondContact O-CD 3.09Å; F101-P105 WeakPolarHBondContact O-CG 3.38Å; F102-P105 VanDerWaalsContact O-CD 3.26Å; F102-P105 WeakPolarHBondContact O-CD 3.48Å; F102-P105 WeakPolarHBondContact O-CG 3.3Å; P105-S108 PolarHBondContact O-OG 2.93Å; P105-K109 WeakPolarHBondContact O-CG 3.16Å
106M92.1Very high90.6Very high0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-68.6-47177.1-71.1-70.4-7100111.2F102 K104 Y111 M114 P117 F258 L262 L425F102-M106 VanDerWaalsContact O-CB 3.26Å; F102-M106 WeakPolarHBondContact O-CB 3.38Å; F102-M106 WeakPolarHBondContact O-CG 3.47Å; F102-M106 PolarHBondContact O-N 2.88Å; F102-M106 VanDerWaalsContact O-N 3.14Å; K104-M106 VanDerWaalsContact C-N 3.28Å; K104-M106 PolarHBondContact O-N 3.32Å; M106-Y111 HydrophobicContact CE-CD2 4.1Å; M106-Y111 WeakPolarHBondContact O-CD2 3.16Å; M106-Y111 HydrophobicContact SD-CD2 3.7Å; M106-Y111 HydrophobicContact SD-CE2 3.97Å; M106-M114 HydrophobicContact CE-SD 3.59Å; M106-M114 VanDerWaalsContact CE-SD 3.59Å; M106-P117 HydrophobicContact CE-CG 4.02Å; M106-P117 HydrophobicContact SD-CG 3.89Å; M106-F258 HydrophobicContact CB-CD1 4.1Å; M106-F258 HydrophobicContact CB-CE1 3.88Å; M106-F258 HydrophobicContact CE-CD1 3.95Å; M106-F258 HydrophobicContact CE-CE1 4.16Å; M106-F258 HydrophobicContact CE-CG 4.19Å; M106-F258 HydrophobicContact CG-CD1 4.04Å; M106-F258 HydrophobicContact CG-CE1 3.49Å; M106-F258 VanDerWaalsContact CG-CE1 3.49Å; M106-F258 HydrophobicContact CG-CZ 4.05Å; M106-L262 HydrophobicContact CB-CD2 4.17Å; M106-L262 WeakPolarHBondContact O-CD2 3.19Å; M106-L425 HydrophobicContact CG-CD1 4.1Å; M106-L425 HydrophobicContact SD-CD1 3.99Å; M106-L425 HydrophobicContact SD-CD2 4.05Å
107R88.8Confident90.4Very high35 Ų3532.7 Ų32.713%0.13217%0.172CC..Hα-helixtrans-73-37.8-178.3-17757-174.883.60.3113.3A103 K104 K109 G110 L262 S264 S265 A267A103-R107 VanDerWaalsContact O-CB 3.25Å; A103-R107 WeakPolarHBondContact O-CB 3.31Å; A103-R107 PolarHBondContact O-N 2.73Å; K104-R107 PolarHBondContact O-N 2.95Å; R107-K109 VanDerWaalsContact C-N 3.26Å; R107-K109 PolarHBondContact O-N 3.28Å; R107-G110 PolarHBondContact O-N 3.37Å; R107-L262 PolarHBondContact NE-O 3.05Å; R107-S264 VanDerWaalsContact CZ-O 3.22Å; R107-S264 PolarHBondContact NE-O 2.81Å; R107-S264 PolarHBondContact NH2-O 3.35Å; R107-S265 PolarHBondContact NH2-O 3.48Å; R107-A267 HydrophobicContact CB-CB 4.35Å; R107-A267 HydrophobicContact CG-CB 4.38Å
108S87.5Confident90.2Very high80 Ų8031 Ų3156%0.55916%0.162SC*.Hα-helixtrans-67.6-27.1-177.665.90000113K104 P105 G110K104-S108 VanDerWaalsContact O-CB 3.28Å; K104-S108 WeakPolarHBondContact O-CB 3.16Å; K104-S108 PolarHBondContact O-N 3.17Å; K104-S108 PolarHBondContact O-OG 3.18Å; K104-S108 VanDerWaalsContact O-OG 3.05Å; P105-S108 PolarHBondContact O-OG 2.93Å; S108-G110 VanDerWaalsContact C-N 3.28Å
109K86.5Confident90Very high107 Ų10731.8 Ų31.847%0.46517%0.165SC..THydrogen-bonded Turntrans-84.10.3176.9-68.8-176.5-176.8177.50113.6P105 R107 Y111P105-K109 WeakPolarHBondContact O-CG 3.16Å; R107-K109 VanDerWaalsContact C-N 3.26Å; R107-K109 PolarHBondContact O-N 3.28Å; K109-Y111 VanDerWaalsContact C-N 3.29Å; K109-Y111 HydrophobicContact CB-CD1 4.45Å; K109-Y111 HydrophobicContact CB-CD2 4.05Å; K109-Y111 HydrophobicContact CB-CE1 4.1Å; K109-Y111 HydrophobicContact CB-CE2 3.68Å; K109-Y111 HydrophobicContact CB-CG 4.42Å; K109-Y111 HydrophobicContact CD-CE2 3.66Å; K109-Y111 WeakPolarHBondContact CD-OH 3.09Å; K109-Y111 HydrophobicContact CG-CE2 4.29Å; K109-Y111 PolarHBondContact O-N 3.34Å
110G83.1Confident89.8Confident34 Ų3438.3 Ų38.335%0.35120%0.196SC..THydrogen-bonded Turntrans69.623175.300000114.4R47 R107 S108R47-G110 PolarHBondContact NH2-O 3.08Å; R47-G110 VanDerWaalsContact NH2-O 3.15Å; R107-G110 PolarHBondContact O-N 3.37Å; S108-G110 VanDerWaalsContact C-N 3.28Å
111Y87Confident89.5Confident10 Ų1036 Ų364%0.03918%0.184CC..  trans-59153.1175.9-61.8-43.4000111.8R47 M106 K109 D116 P117 Q120 L262R47-Y111 PolarHBondContact NH2-O 3.22Å; M106-Y111 HydrophobicContact CE-CD2 4.1Å; M106-Y111 WeakPolarHBondContact O-CD2 3.16Å; M106-Y111 HydrophobicContact SD-CD2 3.7Å; M106-Y111 HydrophobicContact SD-CE2 3.97Å; K109-Y111 VanDerWaalsContact C-N 3.29Å; K109-Y111 HydrophobicContact CB-CD1 4.45Å; K109-Y111 HydrophobicContact CB-CD2 4.05Å; K109-Y111 HydrophobicContact CB-CE1 4.1Å; K109-Y111 HydrophobicContact CB-CE2 3.68Å; K109-Y111 HydrophobicContact CB-CG 4.42Å; K109-Y111 HydrophobicContact CD-CE2 3.66Å; K109-Y111 WeakPolarHBondContact CD-OH 3.09Å; K109-Y111 HydrophobicContact CG-CE2 4.29Å; K109-Y111 PolarHBondContact O-N 3.34Å; Y111-D116 HydrophobicContact CD1-CB 3.54Å; Y111-D116 HydrophobicContact CE1-CB 4.21Å; Y111-D116 HydrophobicContact CG-CB 4Å; Y111-P117 HydrophobicContact CD2-CB 4.49Å; Y111-P117 HydrophobicContact CD2-CG 4.41Å; Y111-P117 HydrophobicContact CE2-CB 3.8Å; Y111-P117 HydrophobicContact CE2-CG 4.19Å; Y111-Q120 PolarHBondContact OH-OE1 2.92Å; Y111-L262 WeakPolarHBondContact O-CD2 3.46Å
112V80.2Confident89.3Confident10 Ų1030.5 Ų30.56%0.06116%0.16CC..SBendtrans-108-33.8177.7176.10000110.1I43 V44 D116I43-V112 HydrophobicContact CG2-CG1 3.78Å; V44-V112 HydrophobicContact CG2-CG1 3.79Å; V112-D116 PolarHBondContact N-OD2 2.99Å
113T87.9Confident88.9Confident0 Ų031.8 Ų31.80%017%0.174CC..SBendtrans-130.3162.7175.977.60000111.8L115 D116 R361 N362T113-L115 PolarHBondContact O-N 2.77Å; T113-L115 PolarHBondContact OG1-N 3.34Å; T113-D116 PolarHBondContact N-OD2 3Å; T113-D116 WeakPolarHBondContact O-CB 3.27Å; T113-D116 PolarHBondContact O-N 3.48Å; T113-D116 VanDerWaalsContact OG1-CG 3.31Å; T113-D116 PolarHBondContact OG1-N 2.89Å; T113-D116 PolarHBondContact OG1-OD1 3.33Å; T113-R361 HydrophobicContact CG2-CB 4Å; T113-R361 HydrophobicContact CG2-CG 3.86Å; T113-N362 WeakPolarHBondContact CB-OD1 3.16Å; T113-N362 WeakPolarHBondContact CG2-OD1 3.46Å; T113-N362 PolarHBondContact OG1-ND2 3.09Å; T113-N362 PolarHBondContact OG1-OD1 3.41Å
114M90.3Very high88.6Confident2 Ų235.8 Ų35.81%0.0119%0.191CC..THydrogen-bonded Turntrans-61-24.5171-179.850-179.900113M106 P117 F118 P253 Q255 F258 I417 L421M106-M114 HydrophobicContact CE-SD 3.59Å; M106-M114 VanDerWaalsContact CE-SD 3.59Å; M114-P117 WeakPolarHBondContact O-CD 3.42Å; M114-P117 VanDerWaalsContact O-CG 3.27Å; M114-P117 WeakPolarHBondContact O-CG 3.33Å; M114-F118 HydrophobicContact CE-CE2 4.25Å; M114-F118 HydrophobicContact CE-CZ 4.15Å; M114-F118 WeakPolarHBondContact O-CE2 3.16Å; M114-P253 HydrophobicContact CE-CB 3.41Å; M114-P253 VanDerWaalsContact CE-CB 3.41Å; M114-Q255 HydrophobicContact CB-CB 4.36Å; M114-F258 HydrophobicContact CB-CB 4.23Å; M114-F258 HydrophobicContact CB-CD2 4.22Å; M114-F258 HydrophobicContact CE-CD2 4.06Å; M114-F258 HydrophobicContact CE-CE2 3.72Å; M114-F258 HydrophobicContact CG-CD2 3.9Å; M114-F258 HydrophobicContact CG-CE2 4.46Å; M114-F258 HydrophobicContact SD-CD2 3.21Å; M114-F258 WeakPolarHBondContact SD-CD2 3.27Å; M114-F258 HydrophobicContact SD-CE2 3.33Å; M114-F258 WeakPolarHBondContact SD-CE2 3.37Å; M114-F258 HydrophobicContact SD-CG 3.94Å; M114-F258 HydrophobicContact SD-CZ 4.17Å; M114-I417 HydrophobicContact CE-CG2 4.28Å; M114-L421 HydrophobicContact CE-CB 4.16Å; M114-L421 HydrophobicContact CE-CD1 3.31Å; M114-L421 HydrophobicContact CE-CD2 3.44Å; M114-L421 VanDerWaalsContact CE-CD2 3.44Å; M114-L421 HydrophobicContact CE-CG 3.77Å; M114-L421 HydrophobicContact SD-CD1 3.96Å
115L91.8Very high88.5Confident1 Ų139.8 Ų39.81%0.00520%0.203CC..THydrogen-bonded Turntrans-86.5-16.6-178.2-64.3178.5000114.3T113 F118 Q119 L130 F131 M358 N362T113-L115 PolarHBondContact O-N 2.77Å; T113-L115 PolarHBondContact OG1-N 3.34Å; L115-F118 HydrophobicContact CB-CD2 4.47Å; L115-F118 HydrophobicContact CD2-CD2 3.67Å; L115-F118 HydrophobicContact CD2-CE2 4.01Å; L115-F118 WeakPolarHBondContact O-CB 3.36Å; L115-F118 PolarHBondContact O-N 3.38Å; L115-F118 VanDerWaalsContact O-N 3.11Å; L115-Q119 PolarHBondContact O-N 3.47Å; L115-L130 HydrophobicContact CD2-CB 4.42Å; L115-F131 HydrophobicContact CD1-CB 3.71Å; L115-F131 HydrophobicContact CD1-CD2 3.77Å; L115-F131 HydrophobicContact CD1-CG 4.22Å; L115-M358 HydrophobicContact CD1-CB 4.16Å; L115-M358 HydrophobicContact CD1-CG 4.24Å; L115-M358 HydrophobicContact CD1-SD 3.98Å; L115-M358 HydrophobicContact CG-SD 4.13Å; L115-N362 HydrophobicContact CB-CB 4.26Å; L115-N362 HydrophobicContact CD1-CB 4.12Å
116D89.3Confident88.4Confident13 Ų1338.7 Ų38.77%0.0720%0.195CC..Hα-helixtrans-53.2-48.7178.4-65.6-0.9000113.5Y111 V112 T113 F118 Q119 Q120 N362Y111-D116 HydrophobicContact CD1-CB 3.54Å; Y111-D116 HydrophobicContact CE1-CB 4.21Å; Y111-D116 HydrophobicContact CG-CB 4Å; V112-D116 PolarHBondContact N-OD2 2.99Å; T113-D116 PolarHBondContact N-OD2 3Å; T113-D116 WeakPolarHBondContact O-CB 3.27Å; T113-D116 PolarHBondContact O-N 3.48Å; T113-D116 VanDerWaalsContact OG1-CG 3.31Å; T113-D116 PolarHBondContact OG1-N 2.89Å; T113-D116 PolarHBondContact OG1-OD1 3.33Å; D116-F118 VanDerWaalsContact C-N 3.28Å; D116-F118 PolarHBondContact O-N 2.87Å; D116-Q119 PolarHBondContact O-N 3.24Å; D116-Q120 WeakPolarHBondContact O-CB 3.23Å; D116-Q120 WeakPolarHBondContact O-CG 3.34Å; D116-Q120 PolarHBondContact O-N 2.99Å; D116-N362 PolarHBondContact OD1-ND2 2.88Å
117P91.8Very high88.3Confident1 Ų138.7 Ų38.71%0.00620%0.195CC..Hα-helixtrans-57.2-40.2176.322-35.6000112.5M106 Y111 M114 L121 V424 L425M106-P117 HydrophobicContact CE-CG 4.02Å; M106-P117 HydrophobicContact SD-CG 3.89Å; Y111-P117 HydrophobicContact CD2-CB 4.49Å; Y111-P117 HydrophobicContact CD2-CG 4.41Å; Y111-P117 HydrophobicContact CE2-CB 3.8Å; Y111-P117 HydrophobicContact CE2-CG 4.19Å; M114-P117 WeakPolarHBondContact O-CD 3.42Å; M114-P117 VanDerWaalsContact O-CG 3.27Å; M114-P117 WeakPolarHBondContact O-CG 3.33Å; P117-L121 WeakPolarHBondContact O-CB 3.29Å; P117-L121 PolarHBondContact O-N 3.4Å; P117-V424 HydrophobicContact CB-CG1 3.64Å; P117-V424 WeakPolarHBondContact O-CG1 3.44Å; P117-L425 HydrophobicContact CB-CD2 4.35Å
118F92.6Very high88.3Confident0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-65.9-44.8177.1-54-57.3000111.9M114 L115 D116 Q120 L121 Y122 L130 I417 Q420 L421 V424M114-F118 HydrophobicContact CE-CE2 4.25Å; M114-F118 HydrophobicContact CE-CZ 4.15Å; M114-F118 WeakPolarHBondContact O-CE2 3.16Å; L115-F118 HydrophobicContact CB-CD2 4.47Å; L115-F118 HydrophobicContact CD2-CD2 3.67Å; L115-F118 HydrophobicContact CD2-CE2 4.01Å; L115-F118 WeakPolarHBondContact O-CB 3.36Å; L115-F118 PolarHBondContact O-N 3.38Å; L115-F118 VanDerWaalsContact O-N 3.11Å; D116-F118 VanDerWaalsContact C-N 3.28Å; D116-F118 PolarHBondContact O-N 2.87Å; F118-Q120 VanDerWaalsContact C-N 3.34Å; F118-Q120 PolarHBondContact O-N 3.27Å; F118-L121 PolarHBondContact O-N 2.9Å; F118-Y122 HydrophobicContact CB-CD2 4.44Å; F118-Y122 HydrophobicContact CD1-CD2 4.36Å; F118-Y122 HydrophobicContact CD1-CE2 4.22Å; F118-Y122 WeakPolarHBondContact O-CA 3.45Å; F118-Y122 WeakPolarHBondContact O-CB 3.34Å; F118-Y122 PolarHBondContact O-N 3.38Å; F118-L130 HydrophobicContact CB-CD1 3.76Å; F118-L130 HydrophobicContact CD1-CD1 3.78Å; F118-L130 HydrophobicContact CD2-CD1 4.12Å; F118-L130 HydrophobicContact CE1-CD1 4.48Å; F118-L130 HydrophobicContact CG-CD1 3.63Å; F118-I417 HydrophobicContact CE2-CG2 4.03Å; F118-I417 HydrophobicContact CZ-CG2 3.94Å; F118-Q420 HydrophobicContact CD1-CB 4.42Å; F118-Q420 HydrophobicContact CE1-CB 3.89Å; F118-L421 HydrophobicContact CE1-CB 4.28Å; F118-L421 HydrophobicContact CZ-CB 3.99Å; F118-L421 HydrophobicContact CZ-CD1 4.06Å; F118-V424 HydrophobicContact CD1-CB 4.44Å; F118-V424 HydrophobicContact CD1-CG2 3.64Å; F118-V424 HydrophobicContact CE1-CG2 4.03Å
119Q89.7Confident88.5Confident15 Ų1536.8 Ų36.87%0.0719%0.186CC..Hα-helixtrans-67.4-35.4-179.3-76.4-172.2-38.500112.7L115 D116 G123 N362L115-Q119 PolarHBondContact O-N 3.47Å; D116-Q119 PolarHBondContact O-N 3.24Å; Q119-G123 CarbonylContact O-C 3.57Å; Q119-G123 WeakPolarHBondContact O-CA 3.45Å; Q119-G123 PolarHBondContact O-N 3.27Å; Q119-G123 VanDerWaalsContact O-N 3.14Å; Q119-N362 PolarHBondContact NE2-O 3.5Å; Q119-N362 PolarHBondContact OE1-ND2 3.47Å
120Q88.3Confident88.8Confident137 Ų13731.7 Ų31.764%0.6416%0.164SC*.Hα-helixtrans-69.8-40.7175.7-72.1-1768.700112.2Y111 D116 F118Y111-Q120 PolarHBondContact OH-OE1 2.92Å; D116-Q120 WeakPolarHBondContact O-CB 3.23Å; D116-Q120 WeakPolarHBondContact O-CG 3.34Å; D116-Q120 PolarHBondContact O-N 2.99Å; F118-Q120 VanDerWaalsContact C-N 3.34Å; F118-Q120 PolarHBondContact O-N 3.27Å
121L88.8Confident89.3Confident38 Ų3830.8 Ų30.820%0.19915%0.15CC..Hα-helixtrans-86.5-45.6-175.9-162.774.9000113.8P117 F118 V424 T430P117-L121 WeakPolarHBondContact O-CB 3.29Å; P117-L121 PolarHBondContact O-N 3.4Å; F118-L121 PolarHBondContact O-N 2.9Å; L121-V424 HydrophobicContact CB-CG1 4.07Å; L121-V424 HydrophobicContact CB-CG2 4.34Å; L121-V424 HydrophobicContact CD2-CB 4.08Å; L121-V424 HydrophobicContact CD2-CG1 3.97Å; L121-V424 HydrophobicContact CD2-CG2 3.82Å; L121-T430 WeakPolarHBondContact CD2-OG1 3.38Å
122Y89.9Confident89.6Confident5 Ų534.1 Ų34.12%0.0217%0.168CC..Hα-helixtrans-100.9-6-173.9-55.8-34.9000113.5F118 M126 L130 C423 V424 T430 T432 A435 N491F118-Y122 HydrophobicContact CB-CD2 4.44Å; F118-Y122 HydrophobicContact CD1-CD2 4.36Å; F118-Y122 HydrophobicContact CD1-CE2 4.22Å; F118-Y122 WeakPolarHBondContact O-CA 3.45Å; F118-Y122 WeakPolarHBondContact O-CB 3.34Å; F118-Y122 PolarHBondContact O-N 3.38Å; Y122-M126 HydrophobicContact CD2-CG 4.17Å; Y122-M126 HydrophobicContact CG-CG 4.3Å; Y122-L130 HydrophobicContact CD2-CD1 4.35Å; Y122-C423 WeakPolarHBondContact OH-CB 3.47Å; Y122-V424 HydrophobicContact CD2-CG2 4Å; Y122-V424 HydrophobicContact CE1-CG2 4.12Å; Y122-V424 HydrophobicContact CE2-CG2 3.25Å; Y122-V424 WeakPolarHBondContact OH-CG2 3.4Å; Y122-T430 PolarHBondContact OH-OG1 3.03Å; Y122-T432 WeakPolarHBondContact CA-OG1 3.35Å; Y122-T432 VanDerWaalsContact O-CG2 3.28Å; Y122-T432 WeakPolarHBondContact O-CG2 3.27Å; Y122-T432 PolarHBondContact O-OG1 2.99Å; Y122-A435 HydrophobicContact CD1-CB 4.04Å; Y122-A435 HydrophobicContact CD2-CB 3.61Å; Y122-A435 HydrophobicContact CE1-CB 4.06Å; Y122-A435 HydrophobicContact CE2-CB 3.61Å; Y122-A435 HydrophobicContact CG-CB 3.82Å; Y122-N491 PolarHBondContact OH-ND2 3.21Å
123G87.8Confident90.1Very high31 Ų3133.7 Ų33.732%0.3217%0.166SC..  trans86.9168.1-179.700000113.9Q119 R125 M126 G127Q119-G123 CarbonylContact O-C 3.57Å; Q119-G123 WeakPolarHBondContact O-CA 3.45Å; Q119-G123 PolarHBondContact O-N 3.27Å; Q119-G123 VanDerWaalsContact O-N 3.14Å; G123-R125 PolarHBondContact O-N 3.33Å; G123-M126 PolarHBondContact O-N 2.88Å; G123-G127 PolarHBondContact O-N 3.49Å
124K85.9Confident90.4Very high83 Ų8334.2 Ų34.236%0.36117%0.17SC..Hα-helixtrans-60.6-40.2-171.4-59.8179.5177.7-155.20113.3G127 G128 L366K124-G127 PolarHBondContact O-N 3.07Å; K124-G128 PolarHBondContact O-N 3.45Å; K124-L366 VanDerWaalsContact CD-O 3.29Å; K124-L366 WeakPolarHBondContact CD-O 3.31Å; K124-L366 WeakPolarHBondContact CE-O 3.16Å; K124-L366 PolarHBondContact NZ-O 3.1Å
125R88.1Confident90.5Very high206 Ų20635.7 Ų35.778%0.77718%0.178SC*.Hα-helixtrans-62.9-49.1-179.7-66.5-178.3-179165.51.2111.6G123 G128 L129G123-R125 PolarHBondContact O-N 3.33Å; R125-G128 PolarHBondContact O-N 2.86Å; R125-L129 PolarHBondContact O-N 3.44Å
126M90.1Very high90.4Very high4 Ų439.2 Ų39.22%0.0220%0.195CC..Hα-helixtrans-68.8-39.3179.5-172.364.8-160.300111.8Y122 G123 G128 L129 L130 T432 A435 I436 Y439Y122-M126 HydrophobicContact CD2-CG 4.17Å; Y122-M126 HydrophobicContact CG-CG 4.3Å; G123-M126 PolarHBondContact O-N 2.88Å; M126-G128 VanDerWaalsContact C-N 3.27Å; M126-G128 PolarHBondContact O-N 2.91Å; M126-L129 HydrophobicContact CE-CD2 4.05Å; M126-L129 WeakPolarHBondContact O-CB 3.46Å; M126-L129 PolarHBondContact O-N 2.88Å; M126-L129 VanDerWaalsContact O-N 3.11Å; M126-L129 HydrophobicContact SD-CB 4.4Å; M126-L129 HydrophobicContact SD-CD2 3.88Å; M126-L130 HydrophobicContact CE-CD1 4.11Å; M126-L130 HydrophobicContact CE-CD2 3.91Å; M126-L130 HydrophobicContact CE-CG 3.82Å; M126-L130 HydrophobicContact CG-CD1 4.22Å; M126-L130 WeakPolarHBondContact O-CG 3.44Å; M126-L130 PolarHBondContact O-N 3.22Å; M126-T432 HydrophobicContact CB-CG2 3.94Å; M126-T432 HydrophobicContact CG-CG2 4.43Å; M126-A435 HydrophobicContact CE-CB 3.94Å; M126-A435 WeakPolarHBondContact CE-O 3.1Å; M126-A435 HydrophobicContact CG-CB 4.03Å; M126-A435 HydrophobicContact SD-CB 4.23Å; M126-I436 HydrophobicContact CE-CG1 4.49Å; M126-I436 HydrophobicContact SD-CG1 3.5Å; M126-I436 VanDerWaalsContact SD-CG1 3.5Å; M126-Y439 HydrophobicContact CE-CD2 4.21Å; M126-Y439 HydrophobicContact CE-CG 4.38Å
127G88.2Confident90.4Very high0 Ų038.6 Ų38.60%019%0.192CC..Hα-helixtrans-63.1-34.1173.300000113G123 K124 L130 F131G123-G127 PolarHBondContact O-N 3.49Å; K124-G127 PolarHBondContact O-N 3.07Å; G127-L130 PolarHBondContact O-N 3.38Å; G127-F131 PolarHBondContact O-N 3.21Å
128G89.6Confident90.4Very high19 Ų1938.7 Ų38.720%0.19619%0.192CC..Hα-helixtrans-66.6-35.4170.400000113.5K124 R125 M126 F131K124-G128 PolarHBondContact O-N 3.45Å; R125-G128 PolarHBondContact O-N 2.86Å; M126-G128 VanDerWaalsContact C-N 3.27Å; M126-G128 PolarHBondContact O-N 2.91Å; G128-F131 WeakPolarHBondContact O-CB 3.45Å; G128-F131 PolarHBondContact O-N 2.85Å
129L92.2Very high90.2Very high57 Ų5739.2 Ų39.230%0.29819%0.194SC..Hα-helixtrans-66.9-42.8173.1-174.166.4000111.5R125 M126 F131 I132 P133 Y439R125-L129 PolarHBondContact O-N 3.44Å; M126-L129 HydrophobicContact CE-CD2 4.05Å; M126-L129 WeakPolarHBondContact O-CB 3.46Å; M126-L129 PolarHBondContact O-N 2.88Å; M126-L129 VanDerWaalsContact O-N 3.11Å; M126-L129 HydrophobicContact SD-CB 4.4Å; M126-L129 HydrophobicContact SD-CD2 3.88Å; L129-F131 VanDerWaalsContact C-N 3.26Å; L129-F131 PolarHBondContact O-N 3.34Å; L129-I132 HydrophobicContact CD1-CD1 4.26Å; L129-I132 WeakPolarHBondContact O-CB 3.35Å; L129-I132 PolarHBondContact O-N 3.18Å; L129-P133 VanDerWaalsContact O-CD 3.26Å; L129-P133 WeakPolarHBondContact O-CD 3.48Å; L129-Y439 HydrophobicContact CD1-CE1 4.37Å; L129-Y439 HydrophobicContact CD2-CD1 4.14Å; L129-Y439 HydrophobicContact CD2-CD2 4.22Å; L129-Y439 HydrophobicContact CD2-CE1 4.27Å; L129-Y439 HydrophobicContact CD2-CE2 4.32Å; L129-Y439 HydrophobicContact CD2-CG 4.16Å; L129-Y439 HydrophobicContact CG-CD2 4.25Å; L129-Y439 HydrophobicContact CG-CE1 4.33Å; L129-Y439 HydrophobicContact CG-CE2 3.91Å
130L93.1Very high90.2Very high0 Ų039.9 Ų39.90%020%0.197CC..Hα-helixtrans-70.3-20.6177.5-68.6168.9000113.1L115 F118 Y122 M126 G127 I132 P133 A134 I416 I417 Q420 Y439L115-L130 HydrophobicContact CD2-CB 4.42Å; F118-L130 HydrophobicContact CB-CD1 3.76Å; F118-L130 HydrophobicContact CD1-CD1 3.78Å; F118-L130 HydrophobicContact CD2-CD1 4.12Å; F118-L130 HydrophobicContact CE1-CD1 4.48Å; F118-L130 HydrophobicContact CG-CD1 3.63Å; Y122-L130 HydrophobicContact CD2-CD1 4.35Å; M126-L130 HydrophobicContact CE-CD1 4.11Å; M126-L130 HydrophobicContact CE-CD2 3.91Å; M126-L130 HydrophobicContact CE-CG 3.82Å; M126-L130 HydrophobicContact CG-CD1 4.22Å; M126-L130 WeakPolarHBondContact O-CG 3.44Å; M126-L130 PolarHBondContact O-N 3.22Å; G127-L130 PolarHBondContact O-N 3.38Å; L130-I132 VanDerWaalsContact C-N 3.25Å; L130-I132 PolarHBondContact O-N 3.37Å; L130-P133 WeakPolarHBondContact O-CD 3.31Å; L130-P133 WeakPolarHBondContact O-CG 3.31Å; L130-A134 PolarHBondContact O-N 3.28Å; L130-I416 HydrophobicContact CD2-CG2 4.02Å; L130-I417 HydrophobicContact CB-CD1 4.07Å; L130-I417 HydrophobicContact CD2-CD1 3.81Å; L130-I417 WeakPolarHBondContact O-CD1 3.32Å; L130-Q420 HydrophobicContact CD2-CG 4.09Å; L130-Y439 HydrophobicContact CD2-CD2 3.94Å; L130-Y439 HydrophobicContact CD2-CE2 4.45Å
131F93.2Very high90.1Very high14 Ų1433.9 Ų33.96%0.06117%0.169CC..Hα-helixtrans-63-31.8170.7169.5-105.7000112.6L115 G127 G128 L129 A134 L135 M358 F359 I363L115-F131 HydrophobicContact CD1-CB 3.71Å; L115-F131 HydrophobicContact CD1-CD2 3.77Å; L115-F131 HydrophobicContact CD1-CG 4.22Å; G127-F131 PolarHBondContact O-N 3.21Å; G128-F131 WeakPolarHBondContact O-CB 3.45Å; G128-F131 PolarHBondContact O-N 2.85Å; L129-F131 VanDerWaalsContact C-N 3.26Å; L129-F131 PolarHBondContact O-N 3.34Å; F131-A134 PolarHBondContact O-N 3.15Å; F131-L135 HydrophobicContact CD2-CB 4.49Å; F131-L135 HydrophobicContact CE1-CB 4.11Å; F131-L135 HydrophobicContact CE1-CD2 3.74Å; F131-L135 HydrophobicContact CE1-CG 4.42Å; F131-L135 HydrophobicContact CE2-CB 4.04Å; F131-L135 HydrophobicContact CE2-CD1 4.48Å; F131-L135 HydrophobicContact CZ-CB 3.83Å; F131-L135 HydrophobicContact CZ-CD1 4.03Å; F131-L135 HydrophobicContact CZ-CD2 3.75Å; F131-L135 HydrophobicContact CZ-CG 4.07Å; F131-L135 VanDerWaalsContact O-CB 3.29Å; F131-L135 WeakPolarHBondContact O-CB 3.36Å; F131-L135 PolarHBondContact O-N 3.29Å; F131-M358 HydrophobicContact CD2-CB 3.84Å; F131-M358 HydrophobicContact CE2-CB 3.69Å; F131-F359 AromaticContact CE1-CD2 3.81Å; F131-F359 HydrophobicContact CE1-CD2 3.81Å; F131-F359 HydrophobicContact CE2-CB 4.18Å; F131-F359 HydrophobicContact CZ-CB 3.81Å; F131-F359 AromaticContact CZ-CD2 3.73Å; F131-F359 HydrophobicContact CZ-CD2 3.73Å; F131-F359 HydrophobicContact CZ-CG 4.28Å; F131-I363 HydrophobicContact CB-CD1 3.71Å; F131-I363 HydrophobicContact CB-CG1 4.25Å; F131-I363 HydrophobicContact CD1-CD1 3.75Å; F131-I363 HydrophobicContact CD1-CG1 3.56Å; F131-I363 HydrophobicContact CD2-CG1 4.13Å; F131-I363 HydrophobicContact CE1-CG1 3.87Å; F131-I363 HydrophobicContact CE2-CG1 4.41Å; F131-I363 HydrophobicContact CG-CD1 3.73Å; F131-I363 HydrophobicContact CG-CG1 3.7Å; F131-I363 HydrophobicContact CZ-CG1 4.29Å
132I92.5Very high90.1Very high80 Ų8032.1 Ų32.141%0.4116%0.159SC..Hα-helixtrans-60.3-57.6-177.2-59.1175.3000111.8L129 L130 A134 L135 M136L129-I132 HydrophobicContact CD1-CD1 4.26Å; L129-I132 WeakPolarHBondContact O-CB 3.35Å; L129-I132 PolarHBondContact O-N 3.18Å; L130-I132 VanDerWaalsContact C-N 3.25Å; L130-I132 PolarHBondContact O-N 3.37Å; I132-A134 VanDerWaalsContact C-N 3.28Å; I132-A134 PolarHBondContact O-N 3.43Å; I132-L135 PolarHBondContact O-N 3.32Å; I132-M136 HydrophobicContact CG2-SD 4.13Å; I132-M136 WeakPolarHBondContact O-CG 3.41Å; I132-M136 PolarHBondContact O-N 3.42Å
133P92.2Very high90Very high2 Ų231.9 Ų31.91%0.01316%0.158CC..Hα-helixtrans-64.4-31.6177.323.6-33.3000113L129 L130 M136 G137 L412 I416 I417 Y439L129-P133 VanDerWaalsContact O-CD 3.26Å; L129-P133 WeakPolarHBondContact O-CD 3.48Å; L130-P133 WeakPolarHBondContact O-CD 3.31Å; L130-P133 WeakPolarHBondContact O-CG 3.31Å; P133-M136 PolarHBondContact O-N 2.87Å; P133-G137 PolarHBondContact O-N 3.48Å; P133-L412 HydrophobicContact CB-CB 3.99Å; P133-I416 HydrophobicContact CB-CD1 4.38Å; P133-I416 HydrophobicContact CG-CB 4.49Å; P133-I416 HydrophobicContact CG-CG2 4.09Å; P133-I417 HydrophobicContact CB-CD1 4.36Å; P133-I417 HydrophobicContact CG-CD1 3.65Å; P133-I417 HydrophobicContact CG-CG1 4.3Å; P133-Y439 HydrophobicContact CG-CE2 4.03Å
134A92.6Very high89.9Confident11 Ų1130.4 Ų30.49%0.09114%0.143CC..Hα-helixtrans-65.3-43.4174.300000112.1L130 F131 I132 G137 E138 M358L130-A134 PolarHBondContact O-N 3.28Å; F131-A134 PolarHBondContact O-N 3.15Å; I132-A134 VanDerWaalsContact C-N 3.28Å; I132-A134 PolarHBondContact O-N 3.43Å; A134-G137 PolarHBondContact O-N 2.71Å; A134-E138 PolarHBondContact O-N 2.76Å; A134-M358 HydrophobicContact CB-CE 4.26Å; A134-M358 HydrophobicContact CB-SD 4.17Å
135L92.9Very high89.9Confident33 Ų3326.4 Ų26.417%0.17313%0.126CC..Hα-helixtrans-64-45.2174.9176.265.3000111F131 I132 G137 E138 M139 A355 F388F131-L135 HydrophobicContact CD2-CB 4.49Å; F131-L135 HydrophobicContact CE1-CB 4.11Å; F131-L135 HydrophobicContact CE1-CD2 3.74Å; F131-L135 HydrophobicContact CE1-CG 4.42Å; F131-L135 HydrophobicContact CE2-CB 4.04Å; F131-L135 HydrophobicContact CE2-CD1 4.48Å; F131-L135 HydrophobicContact CZ-CB 3.83Å; F131-L135 HydrophobicContact CZ-CD1 4.03Å; F131-L135 HydrophobicContact CZ-CD2 3.75Å; F131-L135 HydrophobicContact CZ-CG 4.07Å; F131-L135 VanDerWaalsContact O-CB 3.29Å; F131-L135 WeakPolarHBondContact O-CB 3.36Å; F131-L135 PolarHBondContact O-N 3.29Å; I132-L135 PolarHBondContact O-N 3.32Å; L135-G137 VanDerWaalsContact C-N 3.29Å; L135-G137 PolarHBondContact O-N 2.83Å; L135-E138 PolarHBondContact O-N 3.5Å; L135-M139 HydrophobicContact CD1-CE 4.36Å; L135-M139 HydrophobicContact CD1-CG 4.08Å; L135-M139 HydrophobicContact CD1-SD 4.5Å; L135-M139 HydrophobicContact CG-CG 4.25Å; L135-M139 WeakPolarHBondContact O-CG 3.5Å; L135-M139 PolarHBondContact O-N 2.95Å; L135-A355 HydrophobicContact CD1-CB 3.74Å; L135-F388 HydrophobicContact CD1-CD1 4.26Å; L135-F388 HydrophobicContact CD1-CD2 4.23Å; L135-F388 HydrophobicContact CD1-CE1 3.94Å; L135-F388 HydrophobicContact CD1-CE2 3.88Å; L135-F388 HydrophobicContact CD1-CG 4.42Å; L135-F388 HydrophobicContact CD1-CZ 3.74Å; L135-F388 HydrophobicContact CD2-CE1 4.1Å; L135-F388 HydrophobicContact CD2-CZ 4.18Å
136M90.2Very high89.8Confident75 Ų7516.6 Ų16.637%0.3699%0.089SC..Hα-helixtrans-59.4-42.1178.1-72179.671.300111.5I132 P133 M139 F140 L412I132-M136 HydrophobicContact CG2-SD 4.13Å; I132-M136 WeakPolarHBondContact O-CG 3.41Å; I132-M136 PolarHBondContact O-N 3.42Å; P133-M136 PolarHBondContact O-N 2.87Å; M136-M139 PolarHBondContact O-N 3.37Å; M136-F140 HydrophobicContact CB-CD2 4.43Å; M136-F140 HydrophobicContact CB-CE2 4.09Å; M136-F140 HydrophobicContact CE-CE2 3.86Å; M136-F140 HydrophobicContact CE-CZ 3.71Å; M136-F140 WeakPolarHBondContact O-CB 3.45Å; M136-F140 WeakPolarHBondContact O-CD2 3.3Å; M136-F140 VanDerWaalsContact O-CG 3.27Å; M136-F140 WeakPolarHBondContact O-CG 3.46Å; M136-F140 PolarHBondContact O-N 2.97Å; M136-L412 HydrophobicContact CB-CD1 4.11Å; M136-L412 HydrophobicContact CE-CD1 3.68Å; M136-L412 HydrophobicContact SD-CD1 3.77Å
137G89.9Confident89.5Confident0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-58.8-47.6174.700000112.7P133 A134 L135 M139 F140 W141 S409P133-G137 PolarHBondContact O-N 3.48Å; A134-G137 PolarHBondContact O-N 2.71Å; L135-G137 VanDerWaalsContact C-N 3.29Å; L135-G137 PolarHBondContact O-N 2.83Å; G137-M139 PolarHBondContact O-N 3.47Å; G137-F140 PolarHBondContact O-N 3.06Å; G137-W141 WeakPolarHBondContact O-CB 3.29Å; G137-W141 PolarHBondContact O-N 2.71Å; G137-S409 VanDerWaalsContact CA-O 3.32Å; G137-S409 WeakPolarHBondContact CA-O 3.09Å; G137-S409 VanDerWaalsContact O-CB 3.31Å; G137-S409 WeakPolarHBondContact O-CB 3.32Å
138E90.1Very high89.2Confident2 Ų217.5 Ų17.51%0.00910%0.096CC..Hα-helixtrans-63.3-39.5175.5-64.6-68.8-174.600112.2A134 L135 W141 A142 W254 S351 S354 A355 M358A134-E138 PolarHBondContact O-N 2.76Å; L135-E138 PolarHBondContact O-N 3.5Å; E138-W141 PolarHBondContact O-N 3.05Å; E138-A142 VanDerWaalsContact O-CB 3.28Å; E138-A142 WeakPolarHBondContact O-CB 3.26Å; E138-A142 PolarHBondContact O-N 2.88Å; E138-W254 VanDerWaalsContact CD-NE1 3.28Å; E138-W254 VanDerWaalsContact OE1-CD1 3.31Å; E138-W254 PolarHBondContact OE1-NE1 3.37Å; E138-W254 VanDerWaalsContact OE1-NE1 3.07Å; E138-W254 PolarHBondContact OE2-NE1 3.49Å; E138-W254 VanDerWaalsContact OE2-NE1 3.11Å; E138-S351 PolarHBondContact O-OG 2.82Å; E138-S351 WeakPolarHBondContact OE2-CA 3.4Å; E138-S351 WeakPolarHBondContact OE2-CB 3.27Å; E138-S351 PolarHBondContact OE2-OG 2.92Å; E138-S354 VanDerWaalsContact CD-OG 3.25Å; E138-S354 WeakPolarHBondContact OE1-CB 3.46Å; E138-S354 PolarHBondContact OE1-OG 3.21Å; E138-A355 HydrophobicContact CB-CB 3.97Å; E138-A355 HydrophobicContact CG-CB 4.37Å; E138-M358 HydrophobicContact CG-CE 4Å
139M89.5Confident88.9Confident11 Ų1116.6 Ų16.65%0.0549%0.086CC..Hα-helixtrans-69-40.8179-66.5-57.388.300113.1L135 M136 G137 W141 A143 A355 F388 A392 M395L135-M139 HydrophobicContact CD1-CE 4.36Å; L135-M139 HydrophobicContact CD1-CG 4.08Å; L135-M139 HydrophobicContact CD1-SD 4.5Å; L135-M139 HydrophobicContact CG-CG 4.25Å; L135-M139 WeakPolarHBondContact O-CG 3.5Å; L135-M139 PolarHBondContact O-N 2.95Å; M136-M139 PolarHBondContact O-N 3.37Å; G137-M139 PolarHBondContact O-N 3.47Å; M139-W141 VanDerWaalsContact C-N 3.32Å; M139-A143 VanDerWaalsContact O-CB 3.23Å; M139-A143 WeakPolarHBondContact O-CB 3.32Å; M139-A143 PolarHBondContact O-N 2.96Å; M139-A355 HydrophobicContact CE-CB 3.7Å; M139-F388 HydrophobicContact CE-CB 3.84Å; M139-F388 HydrophobicContact CE-CG 4.3Å; M139-F388 HydrophobicContact SD-CB 3.69Å; M139-F388 HydrophobicContact SD-CD1 4.25Å; M139-F388 HydrophobicContact SD-CG 4.11Å; M139-A392 HydrophobicContact SD-CB 4.41Å; M139-M395 HydrophobicContact CB-CE 4.13Å; M139-M395 HydrophobicContact CB-SD 4.07Å
140F88.1Confident88.5Confident29 Ų2913.9 Ų13.913%0.1277%0.072CC..Hα-helixtrans-64.5-39.8174.6-68.8-37.6000111.4M136 G137 A143 A144 M395 L405 L408M136-F140 HydrophobicContact CB-CD2 4.43Å; M136-F140 HydrophobicContact CB-CE2 4.09Å; M136-F140 HydrophobicContact CE-CE2 3.86Å; M136-F140 HydrophobicContact CE-CZ 3.71Å; M136-F140 WeakPolarHBondContact O-CB 3.45Å; M136-F140 WeakPolarHBondContact O-CD2 3.3Å; M136-F140 VanDerWaalsContact O-CG 3.27Å; M136-F140 WeakPolarHBondContact O-CG 3.46Å; M136-F140 PolarHBondContact O-N 2.97Å; G137-F140 PolarHBondContact O-N 3.06Å; F140-A143 PolarHBondContact O-N 3.35Å; F140-A144 PolarHBondContact O-N 3.33Å; F140-M395 HydrophobicContact CD1-CE 3.13Å; F140-M395 HydrophobicContact CE1-CE 3.38Å; F140-M395 HydrophobicContact CG-CE 4.22Å; F140-L405 WeakPolarHBondContact CB-O 3.46Å; F140-L405 HydrophobicContact CD1-CD2 3.99Å; F140-L408 HydrophobicContact CD2-CB 4Å; F140-L408 HydrophobicContact CE2-CB 4.32Å; F140-L408 HydrophobicContact CG-CB 4.29Å
141W87Confident87.9Confident12 Ų1214 Ų145%0.0457%0.074CC..Hα-helixtrans-66.6-49.8176.4-177.5-131.6000112.2G137 E138 M139 A143 A144 I145 W254 W406G137-W141 WeakPolarHBondContact O-CB 3.29Å; G137-W141 PolarHBondContact O-N 2.71Å; E138-W141 PolarHBondContact O-N 3.05Å; M139-W141 VanDerWaalsContact C-N 3.32Å; W141-A143 VanDerWaalsContact C-N 3.27Å; W141-A143 PolarHBondContact O-N 2.94Å; W141-A144 HydrophobicContact CE3-CB 4.42Å; W141-A144 WeakPolarHBondContact O-CB 3.5Å; W141-A144 PolarHBondContact O-N 2.88Å; W141-A144 VanDerWaalsContact O-N 3.17Å; W141-I145 HydrophobicContact CD2-CD1 3.67Å; W141-I145 HydrophobicContact CD2-CG1 4.1Å; W141-I145 VanDerWaalsContact CE2-CD1 3.47Å; W141-I145 HydrophobicContact CE3-CD1 4.32Å; W141-I145 HydrophobicContact CE3-CG1 4.25Å; W141-I145 HydrophobicContact CG-CD1 3.83Å; W141-I145 HydrophobicContact CZ2-CD1 4.06Å; W141-I145 HydrophobicContact CZ2-CG1 4.39Å; W141-I145 HydrophobicContact CZ3-CG1 4.46Å; W141-I145 WeakPolarHBondContact O-CB 3.45Å; W141-I145 WeakPolarHBondContact O-CD1 3.28Å; W141-I145 VanDerWaalsContact O-CG1 3.24Å; W141-I145 WeakPolarHBondContact O-CG1 3.44Å; W141-I145 PolarHBondContact O-N 3.37Å; W141-W254 HydrophobicContact CB-CH2 4.36Å; W141-W254 HydrophobicContact CB-CZ2 3.82Å; W141-W254 HydrophobicContact CG-CZ2 4.01Å; W141-W406 HydrophobicContact CE3-CB 4.4Å; W141-W406 AromaticContact CE3-CD1 3.14Å; W141-W406 HydrophobicContact CE3-CG 4.01Å; W141-W406 AromaticContact CE3-NE1 3.71Å; W141-W406 AromaticContact CH2-CD1 3.87Å; W141-W406 AromaticContact CH2-NE1 3.58Å; W141-W406 HydrophobicContact CZ3-CB 4.28Å; W141-W406 AromaticContact CZ3-CD1 2.92Å; W141-W406 HydrophobicContact CZ3-CD2 4.41Å; W141-W406 AromaticContact CZ3-CG 3.64Å; W141-W406 HydrophobicContact CZ3-CG 3.64Å; W141-W406 AromaticContact CZ3-NE1 3.11Å
142A89.1Confident87.3Confident0 Ų013.4 Ų13.40%07%0.071CC..Hα-helixtrans-57.9-39175.800000112.3E138 I145 F146 I352 A392E138-A142 VanDerWaalsContact O-CB 3.28Å; E138-A142 WeakPolarHBondContact O-CB 3.26Å; E138-A142 PolarHBondContact O-N 2.88Å; A142-I145 PolarHBondContact O-N 2.92Å; A142-F146 WeakPolarHBondContact O-CG 3.45Å; A142-F146 PolarHBondContact O-N 3.41Å; A142-I352 HydrophobicContact CB-CG1 4.26Å; A142-A392 HydrophobicContact CB-CB 3.71Å
143A88.1Confident86.8Confident0 Ų010 Ų100%05%0.054CC..Hα-helixtrans-65.4-44.6175.900000112.3M139 F140 W141 I145 F146 S147 A392 M395 A396 L405M139-A143 VanDerWaalsContact O-CB 3.23Å; M139-A143 WeakPolarHBondContact O-CB 3.32Å; M139-A143 PolarHBondContact O-N 2.96Å; F140-A143 PolarHBondContact O-N 3.35Å; W141-A143 VanDerWaalsContact C-N 3.27Å; W141-A143 PolarHBondContact O-N 2.94Å; A143-I145 VanDerWaalsContact C-N 3.3Å; A143-I145 PolarHBondContact O-N 3.11Å; A143-F146 PolarHBondContact O-N 3.25Å; A143-S147 PolarHBondContact O-N 2.9Å; A143-A392 WeakPolarHBondContact CB-O 3.49Å; A143-M395 HydrophobicContact CB-CB 3.73Å; A143-M395 HydrophobicContact CB-CE 4.49Å; A143-A396 HydrophobicContact CB-CB 4.3Å; A143-A396 VanDerWaalsContact O-CB 3.3Å; A143-A396 WeakPolarHBondContact O-CB 3.29Å; A143-L405 HydrophobicContact CB-CD1 3.77Å
144A84.3Confident86.4Confident0 Ų010.7 Ų10.70%06%0.058CC..Hα-helixtrans-59.3-44.2175.200000111F140 W141 S147 A148 V402 L405 W406F140-A144 PolarHBondContact O-N 3.33Å; W141-A144 HydrophobicContact CE3-CB 4.42Å; W141-A144 WeakPolarHBondContact O-CB 3.5Å; W141-A144 PolarHBondContact O-N 2.88Å; W141-A144 VanDerWaalsContact O-N 3.17Å; A144-S147 PolarHBondContact O-N 3.24Å; A144-A148 WeakPolarHBondContact O-CB 3.42Å; A144-A148 PolarHBondContact O-N 3.18Å; A144-V402 HydrophobicContact CB-CG1 4.04Å; A144-V402 WeakPolarHBondContact O-CG1 3.26Å; A144-L405 HydrophobicContact CB-CB 3.94Å; A144-W406 HydrophobicContact CB-CB 4.14Å
145I85.9Confident85.7Confident0 Ų011.5 Ų11.50%06%0.062CC..Hα-helixtrans-61.3-48.7177.3-70.7165.8000111.3W141 A142 A143 S147 A148 L149 V344 S347 A348W141-I145 HydrophobicContact CD2-CD1 3.67Å; W141-I145 HydrophobicContact CD2-CG1 4.1Å; W141-I145 VanDerWaalsContact CE2-CD1 3.47Å; W141-I145 HydrophobicContact CE3-CD1 4.32Å; W141-I145 HydrophobicContact CE3-CG1 4.25Å; W141-I145 HydrophobicContact CG-CD1 3.83Å; W141-I145 HydrophobicContact CZ2-CD1 4.06Å; W141-I145 HydrophobicContact CZ2-CG1 4.39Å; W141-I145 HydrophobicContact CZ3-CG1 4.46Å; W141-I145 WeakPolarHBondContact O-CB 3.45Å; W141-I145 WeakPolarHBondContact O-CD1 3.28Å; W141-I145 VanDerWaalsContact O-CG1 3.24Å; W141-I145 WeakPolarHBondContact O-CG1 3.44Å; W141-I145 PolarHBondContact O-N 3.37Å; A142-I145 PolarHBondContact O-N 2.92Å; A143-I145 VanDerWaalsContact C-N 3.3Å; A143-I145 PolarHBondContact O-N 3.11Å; I145-S147 VanDerWaalsContact C-N 3.29Å; I145-S147 PolarHBondContact O-N 3.46Å; I145-A148 PolarHBondContact O-N 2.75Å; I145-L149 WeakPolarHBondContact O-CB 3.34Å; I145-L149 PolarHBondContact O-N 2.64Å; I145-V344 HydrophobicContact CB-CG1 4.19Å; I145-V344 HydrophobicContact CG2-CB 4.38Å; I145-V344 HydrophobicContact CG2-CG1 3.3Å; I145-V344 WeakPolarHBondContact CG2-O 3.18Å; I145-V344 WeakPolarHBondContact O-CG1 3.37Å; I145-S347 VanDerWaalsContact CD1-CB 3.45Å; I145-A348 HydrophobicContact CG2-CB 3.68Å
146F87.6Confident84.9Confident0 Ų010 Ų100%05%0.054CC..Hα-helixtrans-62.6-36.5178.5-73.1-27.6000113.2A142 A143 L149 G150 V165 A169 A172 A348 I352 A392 A396A142-F146 WeakPolarHBondContact O-CG 3.45Å; A142-F146 PolarHBondContact O-N 3.41Å; A143-F146 PolarHBondContact O-N 3.25Å; F146-L149 PolarHBondContact O-N 3.28Å; F146-G150 PolarHBondContact O-N 2.92Å; F146-V165 HydrophobicContact CB-CG1 4.31Å; F146-A169 HydrophobicContact CD1-CB 3.95Å; F146-A169 HydrophobicContact CD2-CB 3.78Å; F146-A169 HydrophobicContact CE1-CB 3.9Å; F146-A169 HydrophobicContact CE2-CB 3.71Å; F146-A169 HydrophobicContact CG-CB 3.89Å; F146-A169 HydrophobicContact CZ-CB 3.75Å; F146-A172 HydrophobicContact CE1-CB 3.74Å; F146-A172 HydrophobicContact CZ-CB 4.34Å; F146-A348 HydrophobicContact CD1-CB 4.13Å; F146-A348 HydrophobicContact CE1-CB 3.55Å; F146-A348 HydrophobicContact CZ-CB 4.24Å; F146-I352 HydrophobicContact CE1-CD1 4.5Å; F146-I352 HydrophobicContact CE2-CD1 4.01Å; F146-I352 HydrophobicContact CZ-CD1 3.52Å; F146-A392 HydrophobicContact CD2-CB 4.08Å; F146-A392 HydrophobicContact CE2-CB 3.97Å; F146-A396 HydrophobicContact CB-CB 4Å
147S83.9Confident84.3Confident19 Ų196.7 Ų6.713%0.1334%0.038CC..Hα-helixtrans-66.1-45.9174.5-171.40000111.7A143 A144 I145 L149 G150 A151 V402A143-S147 PolarHBondContact O-N 2.9Å; A144-S147 PolarHBondContact O-N 3.24Å; I145-S147 VanDerWaalsContact C-N 3.29Å; I145-S147 PolarHBondContact O-N 3.46Å; S147-L149 VanDerWaalsContact C-N 3.32Å; S147-L149 PolarHBondContact O-N 3.34Å; S147-G150 PolarHBondContact O-N 2.98Å; S147-A151 PolarHBondContact O-N 3.49Å; S147-V402 VanDerWaalsContact OG-CG2 3.29Å; S147-V402 WeakPolarHBondContact OG-CG2 3.35Å
148A81.3Confident83.7Confident3 Ų310.7 Ų10.73%0.0256%0.06CC..Hα-helixtrans-60.8-37.6174.600000113.3A144 I145 A151 T152 V344 V402A144-A148 WeakPolarHBondContact O-CB 3.42Å; A144-A148 PolarHBondContact O-N 3.18Å; I145-A148 PolarHBondContact O-N 2.75Å; A148-A151 PolarHBondContact O-N 3.28Å; A148-T152 PolarHBondContact O-N 3.07Å; A148-T152 VanDerWaalsContact O-N 3.09Å; A148-T152 PolarHBondContact O-OG1 2.69Å; A148-V344 HydrophobicContact CB-CG1 4.36Å; A148-V402 HydrophobicContact CB-CG1 4.25Å
149L83.6Confident83.4Confident0 Ų013.1 Ų13.10%07%0.072CC..Hα-helixtrans-67.7-44.7175.8-17145.4000110.9I145 F146 S147 A151 T152 I153 S168 V344 M345I145-L149 WeakPolarHBondContact O-CB 3.34Å; I145-L149 PolarHBondContact O-N 2.64Å; F146-L149 PolarHBondContact O-N 3.28Å; S147-L149 VanDerWaalsContact C-N 3.32Å; S147-L149 PolarHBondContact O-N 3.34Å; L149-A151 VanDerWaalsContact C-N 3.28Å; L149-A151 PolarHBondContact O-N 3.22Å; L149-T152 PolarHBondContact O-N 3.32Å; L149-I153 HydrophobicContact CD1-CD1 4.44Å; L149-I153 HydrophobicContact CD1-CG1 4.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.12Å; L149-I153 PolarHBondContact O-N 3.39Å; L149-S168 WeakPolarHBondContact CG-OG 3.42Å; L149-V344 HydrophobicContact CB-CB 4.06Å; L149-V344 HydrophobicContact CB-CG1 3.57Å; L149-V344 HydrophobicContact CD1-CB 4.04Å; L149-V344 HydrophobicContact CD1-CG2 4.41Å; L149-V344 HydrophobicContact CD2-CB 4.45Å; L149-V344 HydrophobicContact CD2-CG1 4.47Å; L149-V344 HydrophobicContact CG-CB 4.39Å; L149-V344 HydrophobicContact CG-CG1 4.38Å; L149-M345 HydrophobicContact CD2-CG 3.69Å
150G84.3Confident83.2Confident0 Ų016.8 Ų16.80%09%0.092CC..Hα-helixtrans-56.5-44.2174.700000111.9F146 S147 T152 I153 S154 I161 S164F146-G150 PolarHBondContact O-N 2.92Å; S147-G150 PolarHBondContact O-N 2.98Å; G150-T152 PolarHBondContact O-N 2.98Å; G150-I153 PolarHBondContact O-N 2.91Å; G150-S154 WeakPolarHBondContact O-CB 3.34Å; G150-S154 PolarHBondContact O-N 3.38Å; G150-S154 PolarHBondContact O-OG 3.11Å; G150-I161 WeakPolarHBondContact O-CD1 3.48Å; G150-S164 WeakPolarHBondContact O-CB 3.21Å
151A79.9Confident83Confident4 Ų418.3 Ų18.33%0.03310%0.101CC..Hα-helixtrans-61.2-43.6177.400000112.2S147 A148 L149 I153 S154 V155 I161 M318S147-A151 PolarHBondContact O-N 3.49Å; A148-A151 PolarHBondContact O-N 3.28Å; L149-A151 VanDerWaalsContact C-N 3.28Å; L149-A151 PolarHBondContact O-N 3.22Å; A151-I153 PolarHBondContact O-N 3.44Å; A151-S154 WeakPolarHBondContact CA-OG 3.47Å; A151-S154 PolarHBondContact O-N 2.79Å; A151-S154 PolarHBondContact O-OG 3.2Å; A151-V155 WeakPolarHBondContact O-CG2 3.26Å; A151-V155 PolarHBondContact O-N 3.25Å; A151-V155 VanDerWaalsContact O-N 3.15Å; A151-I161 VanDerWaalsContact CA-CD1 3.42Å; A151-I161 HydrophobicContact CB-CD1 4.08Å; A151-M318 HydrophobicContact CB-CG 3.91Å; A151-M318 HydrophobicContact CB-SD 3.94Å
152T80.4Confident83.1Confident0 Ų021.6 Ų21.60%012%0.119CC..Hα-helixtrans-62-46.2176.9-53.90000110.8A148 L149 G150 V155 I156 L337 V340 S341A148-T152 PolarHBondContact O-N 3.07Å; A148-T152 VanDerWaalsContact O-N 3.09Å; A148-T152 PolarHBondContact O-OG1 2.69Å; L149-T152 PolarHBondContact O-N 3.32Å; G150-T152 PolarHBondContact O-N 2.98Å; T152-V155 PolarHBondContact O-N 2.94Å; T152-I156 HydrophobicContact CG2-CD1 4.02Å; T152-I156 VanDerWaalsContact O-CD1 3.28Å; T152-I156 WeakPolarHBondContact O-CD1 3.47Å; T152-I156 VanDerWaalsContact O-CG1 3.24Å; T152-I156 WeakPolarHBondContact O-CG1 3.45Å; T152-I156 PolarHBondContact O-N 3.43Å; T152-L337 HydrophobicContact CG2-CD2 4.22Å; T152-V340 HydrophobicContact CG2-CB 4.27Å; T152-V340 HydrophobicContact CG2-CG1 4.02Å; T152-S341 WeakPolarHBondContact CG2-OG 3.46Å
153I82.4Confident83Confident10 Ų1026 Ų265%0.05114%0.141CC..Hα-helixtrans-69.8-37.6179.2-64.3-174.1000112.4Y15 L149 G150 A151 V155 I156 V157 I159 S168Y15-I153 HydrophobicContact CE2-CD1 4.31Å; Y15-I153 WeakPolarHBondContact OH-CD1 3.23Å; L149-I153 HydrophobicContact CD1-CD1 4.44Å; L149-I153 HydrophobicContact CD1-CG1 4.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.12Å; L149-I153 PolarHBondContact O-N 3.39Å; G150-I153 PolarHBondContact O-N 2.91Å; A151-I153 PolarHBondContact O-N 3.44Å; I153-V155 VanDerWaalsContact C-N 3.28Å; I153-V155 PolarHBondContact O-N 2.92Å; I153-I156 PolarHBondContact O-N 2.87Å; I153-V157 HydrophobicContact CG2-CG2 3.96Å; I153-V157 PolarHBondContact O-N 3.36Å; I153-I159 HydrophobicContact CG2-CD1 4.35Å; I153-S168 WeakPolarHBondContact CD1-OG 3.32Å
154S83.6Confident83Confident16 Ų1626 Ų2611%0.11214%0.141CC..Hα-helixtrans-62.2-38.1177.854.20000111.7G150 A151 D158 I159 S164G150-S154 WeakPolarHBondContact O-CB 3.34Å; G150-S154 PolarHBondContact O-N 3.38Å; G150-S154 PolarHBondContact O-OG 3.11Å; A151-S154 WeakPolarHBondContact CA-OG 3.47Å; A151-S154 PolarHBondContact O-N 2.79Å; A151-S154 PolarHBondContact O-OG 3.2Å; S154-D158 WeakPolarHBondContact O-CA 3.43Å; S154-D158 PolarHBondContact O-N 2.92Å; S154-I159 WeakPolarHBondContact CB-O 3.2Å; S154-I159 PolarHBondContact O-N 3.4Å; S154-S164 PolarHBondContact N-OG 3.4Å
155V78.1Confident83.2Confident28 Ų2826 Ų2617%0.1714%0.142CC..Hα-helixtrans-67.9-41.2176.3174.30000111.5A151 T152 I153 M318 P321 Q325A151-V155 WeakPolarHBondContact O-CG2 3.26Å; A151-V155 PolarHBondContact O-N 3.25Å; A151-V155 VanDerWaalsContact O-N 3.15Å; T152-V155 PolarHBondContact O-N 2.94Å; I153-V155 VanDerWaalsContact C-N 3.28Å; I153-V155 PolarHBondContact O-N 2.92Å; V155-M318 HydrophobicContact CG2-SD 4.15Å; V155-P321 HydrophobicContact CB-CB 4.18Å; V155-P321 HydrophobicContact CG1-CB 4.19Å; V155-P321 HydrophobicContact CG2-CB 4.27Å; V155-P321 HydrophobicContact CG2-CG 4.35Å; V155-Q325 HydrophobicContact CG1-CB 3.96Å; V155-Q325 HydrophobicContact CG1-CG 4.21Å
156I76.4Confident83.4Confident2 Ų230.1 Ų30.11%0.0116%0.163CC..Hα-helixtrans-71.8-45.6-177.6-57.1153.2000112.2I11 T152 I153 F334 L337I11-I156 HydrophobicContact CD1-CB 3.9Å; I11-I156 HydrophobicContact CD1-CD1 3.49Å; I11-I156 VanDerWaalsContact CD1-CD1 3.49Å; I11-I156 HydrophobicContact CD1-CG1 4.27Å; I11-I156 HydrophobicContact CD1-CG2 3.6Å; I11-I156 HydrophobicContact CG1-CD1 4.17Å; I11-I156 HydrophobicContact CG1-CG2 4.38Å; T152-I156 HydrophobicContact CG2-CD1 4.02Å; T152-I156 VanDerWaalsContact O-CD1 3.28Å; T152-I156 WeakPolarHBondContact O-CD1 3.47Å; T152-I156 VanDerWaalsContact O-CG1 3.24Å; T152-I156 WeakPolarHBondContact O-CG1 3.45Å; T152-I156 PolarHBondContact O-N 3.43Å; I153-I156 PolarHBondContact O-N 2.87Å; I156-F334 HydrophobicContact CG2-CD1 4.34Å; I156-F334 HydrophobicContact CG2-CE1 4.39Å; I156-L337 HydrophobicContact CD1-CB 3.62Å; I156-L337 HydrophobicContact CD1-CD2 4.48Å; I156-L337 HydrophobicContact CD1-CG 4.41Å; I156-L337 HydrophobicContact CG1-CB 3.71Å; I156-L337 HydrophobicContact CG1-CD1 3.63Å; I156-L337 HydrophobicContact CG1-CD2 4.15Å; I156-L337 HydrophobicContact CG1-CG 4.03Å
157V76.5Confident83.2Confident5 Ų533.7 Ų33.73%0.0318%0.181CC..Hα-helixtrans-94.8-9.1-170.5-168.20000111.5F3 L8 I11 I153 I159F3-V157 HydrophobicContact CE2-CG1 4.08Å; F3-V157 HydrophobicContact CZ-CG1 4.07Å; L8-V157 HydrophobicContact CD1-CG1 4.19Å; L8-V157 HydrophobicContact CD1-CG2 4.15Å; I11-V157 HydrophobicContact CD1-CG2 4.02Å; I153-V157 HydrophobicContact CG2-CG2 3.96Å; I153-V157 PolarHBondContact O-N 3.36Å; V157-I159 VanDerWaalsContact C-N 3.35Å; V157-I159 HydrophobicContact CB-CD1 4.31Å; V157-I159 HydrophobicContact CB-CG1 4.13Å; V157-I159 HydrophobicContact CB-CG2 4.28Å; V157-I159 HydrophobicContact CG1-CD1 4.26Å; V157-I159 HydrophobicContact CG1-CG1 4.37Å; V157-I159 HydrophobicContact CG1-CG2 3.78Å
158D78.2Confident83.2Confident84 Ų8432.8 Ų32.845%0.44918%0.175SC..THydrogen-bonded Turntrans55.147.8-175.1-166.331.9000111.8S154S154-D158 WeakPolarHBondContact O-CA 3.43Å; S154-D158 PolarHBondContact O-N 2.92Å
159I83.1Confident83.5Confident52 Ų5232.7 Ų32.727%0.26717%0.174SC..  trans-120.5162.9179.664.6174000111.7F3 I153 S154 V157 I161 S164F3-I159 HydrophobicContact CE2-CG2 4.4Å; I153-I159 HydrophobicContact CG2-CD1 4.35Å; S154-I159 WeakPolarHBondContact CB-O 3.2Å; S154-I159 PolarHBondContact O-N 3.4Å; V157-I159 VanDerWaalsContact C-N 3.35Å; V157-I159 HydrophobicContact CB-CD1 4.31Å; V157-I159 HydrophobicContact CB-CG1 4.13Å; V157-I159 HydrophobicContact CB-CG2 4.28Å; V157-I159 HydrophobicContact CG1-CD1 4.26Å; V157-I159 HydrophobicContact CG1-CG1 4.37Å; V157-I159 HydrophobicContact CG1-CG2 3.78Å; I159-I161 PolarHBondContact O-N 3.21Å; I159-S164 WeakPolarHBondContact CD1-OG 3.35Å; I159-S164 VanDerWaalsContact CG1-OG 3.24Å; I159-S164 WeakPolarHBondContact CG1-OG 3.5Å
160N86.4Confident83.6Confident88 Ų8837.2 Ų37.247%0.47120%0.198SC..  trans-56.9129.7179.8-176.4-85.5000112.2N162 I163 S164N160-N162 VanDerWaalsContact C-N 3.28Å; N160-N162 PolarHBondContact O-N 3.33Å; N160-N162 VanDerWaalsContact OD1-CB 3.26Å; N160-N162 WeakPolarHBondContact OD1-CB 3.39Å; N160-N162 PolarHBondContact OD1-N 3.45Å; N160-I163 HydrophobicContact CB-CD1 4.12Å; N160-I163 HydrophobicContact CB-CG1 4.23Å; N160-I163 WeakPolarHBondContact O-CB 3.39Å; N160-I163 PolarHBondContact O-N 3.4Å; N160-S164 PolarHBondContact O-N 3.44Å; N160-S164 PolarHBondContact O-OG 3.01Å
161I82.6Confident83.4Confident62 Ų6240 Ų4032%0.31821%0.212SC..Hα-helixtrans-50-42.9180-17859.5000113.5G150 A151 I159 I163 S164 V165G150-I161 WeakPolarHBondContact O-CD1 3.48Å; A151-I161 VanDerWaalsContact CA-CD1 3.42Å; A151-I161 HydrophobicContact CB-CD1 4.08Å; I159-I161 PolarHBondContact O-N 3.21Å; I161-I163 VanDerWaalsContact C-N 3.32Å; I161-I163 PolarHBondContact O-N 2.9Å; I161-S164 WeakPolarHBondContact O-CB 3.24Å; I161-S164 PolarHBondContact O-N 3.11Å; I161-V165 HydrophobicContact CD1-CG2 4.28Å; I161-V165 HydrophobicContact CG1-CG2 4.45Å; I161-V165 WeakPolarHBondContact O-CG2 3.38Å; I161-V165 PolarHBondContact O-N 2.81Å
162N88.4Confident83.4Confident81 Ų8139.8 Ų39.843%0.43321%0.21SC..Hα-helixtrans-66.1-37.9-177.9-62.4-20.3000111.4N160 V165 I166 L397N160-N162 VanDerWaalsContact C-N 3.28Å; N160-N162 PolarHBondContact O-N 3.33Å; N160-N162 VanDerWaalsContact OD1-CB 3.26Å; N160-N162 WeakPolarHBondContact OD1-CB 3.39Å; N160-N162 PolarHBondContact OD1-N 3.45Å; N162-V165 PolarHBondContact O-N 2.95Å; N162-I166 WeakPolarHBondContact O-CD1 3.46Å; N162-I166 VanDerWaalsContact O-CG1 3.29Å; N162-I166 WeakPolarHBondContact O-CG1 3.44Å; N162-I166 PolarHBondContact O-N 3.34Å; N162-I166 VanDerWaalsContact O-N 3.12Å; N162-L397 HydrophobicContact CB-CD2 3.84Å
163I88.2Confident83.4Confident91 Ų9140.1 Ų40.147%0.46721%0.212SC..Hα-helixtrans-67.4-43.7175.7-61177.5000109.6N160 I161 V165 I166 I167N160-I163 HydrophobicContact CB-CD1 4.12Å; N160-I163 HydrophobicContact CB-CG1 4.23Å; N160-I163 WeakPolarHBondContact O-CB 3.39Å; N160-I163 PolarHBondContact O-N 3.4Å; I161-I163 VanDerWaalsContact C-N 3.32Å; I161-I163 PolarHBondContact O-N 2.9Å; I163-V165 VanDerWaalsContact C-N 3.35Å; I163-V165 PolarHBondContact O-N 2.97Å; I163-I166 PolarHBondContact O-N 3.35Å; I163-I167 HydrophobicContact CG2-CD1 3.68Å; I163-I167 HydrophobicContact CG2-CG1 4.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.48Å; I163-I167 PolarHBondContact O-N 2.94Å
164S87.1Confident83.3Confident0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-57.3-45.7175.5-63.80000112.3G150 S154 I159 N160 I161 S168G150-S164 WeakPolarHBondContact O-CB 3.21Å; S154-S164 PolarHBondContact N-OG 3.4Å; I159-S164 WeakPolarHBondContact CD1-OG 3.35Å; I159-S164 VanDerWaalsContact CG1-OG 3.24Å; I159-S164 WeakPolarHBondContact CG1-OG 3.5Å; N160-S164 PolarHBondContact O-N 3.44Å; N160-S164 PolarHBondContact O-OG 3.01Å; I161-S164 WeakPolarHBondContact O-CB 3.24Å; I161-S164 PolarHBondContact O-N 3.11Å; S164-S168 WeakPolarHBondContact O-CB 3.48Å; S164-S168 PolarHBondContact O-N 3.45Å; S164-S168 PolarHBondContact O-OG 2.92Å
165V88.5Confident82.8Confident2 Ų244 Ų441%0.01223%0.229CC..Hα-helixtrans-59.7-47.8177172.40000111F146 I161 N162 I163 S168 A169 T393 A396 L397F146-V165 HydrophobicContact CB-CG1 4.31Å; I161-V165 HydrophobicContact CD1-CG2 4.28Å; I161-V165 HydrophobicContact CG1-CG2 4.45Å; I161-V165 WeakPolarHBondContact O-CG2 3.38Å; I161-V165 PolarHBondContact O-N 2.81Å; N162-V165 PolarHBondContact O-N 2.95Å; I163-V165 VanDerWaalsContact C-N 3.35Å; I163-V165 PolarHBondContact O-N 2.97Å; V165-S168 WeakPolarHBondContact O-CB 3.48Å; V165-S168 PolarHBondContact O-N 3.08Å; V165-A169 WeakPolarHBondContact O-CB 3.27Å; V165-A169 PolarHBondContact O-N 3.28Å; V165-T393 HydrophobicContact CG1-CG2 4.39Å; V165-A396 HydrophobicContact CG1-CB 3.94Å; V165-L397 HydrophobicContact CB-CD2 3.97Å; V165-L397 HydrophobicContact CG1-CD2 3.91Å; V165-L397 HydrophobicContact CG1-CG 4.24Å
166I90.4Very high82.8Confident85 Ų8543 Ų4344%0.43622%0.223SC..Hα-helixtrans-62.9-47.7-178.6-68.3165.7000111.5N162 I163 S168 A169 L170 T393 L397N162-I166 WeakPolarHBondContact O-CD1 3.46Å; N162-I166 VanDerWaalsContact O-CG1 3.29Å; N162-I166 WeakPolarHBondContact O-CG1 3.44Å; N162-I166 PolarHBondContact O-N 3.34Å; N162-I166 VanDerWaalsContact O-N 3.12Å; I163-I166 PolarHBondContact O-N 3.35Å; I166-S168 VanDerWaalsContact C-N 3.32Å; I166-S168 PolarHBondContact O-N 3.35Å; I166-A169 PolarHBondContact O-N 3.19Å; I166-L170 WeakPolarHBondContact O-CB 3.25Å; I166-L170 PolarHBondContact O-N 3.33Å; I166-T393 HydrophobicContact CG1-CG2 4.44Å; I166-L397 HydrophobicContact CD1-CD1 4.11Å; I166-L397 HydrophobicContact CG1-CD1 3.92Å; I166-L397 HydrophobicContact CG1-CD2 4.37Å
167I84.6Confident82.7Confident75 Ų7544.5 Ų44.539%0.38523%0.231SC..Hα-helixtrans-61.5-45.6179.6-68.4172.4000110I163 L170 I171I163-I167 HydrophobicContact CG2-CD1 3.68Å; I163-I167 HydrophobicContact CG2-CG1 4.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.48Å; I163-I167 PolarHBondContact O-N 2.94Å; I167-L170 PolarHBondContact O-N 3.36Å; I167-I171 HydrophobicContact CG2-CD1 3.83Å; I167-I171 VanDerWaalsContact O-CG1 3.31Å; I167-I171 WeakPolarHBondContact O-CG1 3.28Å; I167-I171 PolarHBondContact O-N 3.39Å
168S82.8Confident82.2Confident0 Ų048.7 Ų48.70%026%0.256CS..Hα-helixtrans-58.8-49.7178.8-63.20000112.4L149 I153 S164 V165 I166 L170 I171 A172L149-S168 WeakPolarHBondContact CG-OG 3.42Å; I153-S168 WeakPolarHBondContact CD1-OG 3.32Å; S164-S168 WeakPolarHBondContact O-CB 3.48Å; S164-S168 PolarHBondContact O-N 3.45Å; S164-S168 PolarHBondContact O-OG 2.92Å; V165-S168 WeakPolarHBondContact O-CB 3.48Å; V165-S168 PolarHBondContact O-N 3.08Å; I166-S168 VanDerWaalsContact C-N 3.32Å; I166-S168 PolarHBondContact O-N 3.35Å; S168-L170 VanDerWaalsContact C-N 3.34Å; S168-L170 PolarHBondContact O-N 3.18Å; S168-I171 PolarHBondContact O-N 2.93Å; S168-A172 WeakPolarHBondContact O-CB 3.25Å; S168-A172 PolarHBondContact O-N 3.4Å
169A87.2Confident81.4Confident2 Ų245.1 Ų45.12%0.01724%0.24CC..Hα-helixtrans-66.3-37.1-179.100000112.3F146 V165 I166 A172 T173 T393F146-A169 HydrophobicContact CD1-CB 3.95Å; F146-A169 HydrophobicContact CD2-CB 3.78Å; F146-A169 HydrophobicContact CE1-CB 3.9Å; F146-A169 HydrophobicContact CE2-CB 3.71Å; F146-A169 HydrophobicContact CG-CB 3.89Å; F146-A169 HydrophobicContact CZ-CB 3.75Å; V165-A169 WeakPolarHBondContact O-CB 3.27Å; V165-A169 PolarHBondContact O-N 3.28Å; I166-A169 PolarHBondContact O-N 3.19Å; A169-A172 PolarHBondContact O-N 3.02Å; A169-T173 VanDerWaalsContact O-CB 3.23Å; A169-T173 WeakPolarHBondContact O-CB 3.22Å; A169-T173 PolarHBondContact O-N 3.33Å; A169-T173 PolarHBondContact O-OG1 3.36Å; A169-T393 HydrophobicContact CB-CG2 3.9Å; A169-T393 WeakPolarHBondContact CB-OG1 3.34Å
170L85.9Confident80.7Confident95 Ų9543.3 Ų43.350%0.49723%0.233SC..Hα-helixtrans-62.5-47.7175.8-176.767.6000111.2I166 I167 S168 M174I166-L170 WeakPolarHBondContact O-CB 3.25Å; I166-L170 PolarHBondContact O-N 3.33Å; I167-L170 PolarHBondContact O-N 3.36Å; S168-L170 VanDerWaalsContact C-N 3.34Å; S168-L170 PolarHBondContact O-N 3.18Å; L170-M174 HydrophobicContact CD1-CE 4.05Å; L170-M174 HydrophobicContact CD1-CG 4.34Å; L170-M174 WeakPolarHBondContact O-CB 3.41Å; L170-M174 WeakPolarHBondContact O-CG 3.42Å; L170-M174 PolarHBondContact O-N 3.38Å
171I79.6Confident79.8Confident57 Ų5739.6 Ų39.629%0.29221%0.213SC..Hα-helixtrans-62.5-49.1178.6-64.7168.8000109.8Y15 I167 S168 T173 M174 Y175 M345Y15-I171 HydrophobicContact CD2-CD1 3.86Å; Y15-I171 HydrophobicContact CD2-CG2 4.31Å; Y15-I171 HydrophobicContact CE2-CD1 3.99Å; I167-I171 HydrophobicContact CG2-CD1 3.83Å; I167-I171 VanDerWaalsContact O-CG1 3.31Å; I167-I171 WeakPolarHBondContact O-CG1 3.28Å; I167-I171 PolarHBondContact O-N 3.39Å; S168-I171 PolarHBondContact O-N 2.93Å; I171-T173 PolarHBondContact O-N 3.2Å; I171-M174 PolarHBondContact O-N 3.48Å; I171-Y175 WeakPolarHBondContact O-CD1 3.36Å; I171-Y175 PolarHBondContact O-N 2.85Å; I171-M345 HydrophobicContact CB-CE 4.01Å; I171-M345 HydrophobicContact CG2-CE 3.49Å; I171-M345 VanDerWaalsContact CG2-CE 3.49Å
172A79.9Confident79.1Confident0 Ų038.7 Ų38.70%021%0.206CC..Hα-helixtrans-57.1-47.4179.200000112.9F146 S168 A169 Y175 T176 A348F146-A172 HydrophobicContact CE1-CB 3.74Å; F146-A172 HydrophobicContact CZ-CB 4.34Å; S168-A172 WeakPolarHBondContact O-CB 3.25Å; S168-A172 PolarHBondContact O-N 3.4Å; A169-A172 PolarHBondContact O-N 3.02Å; A172-Y175 VanDerWaalsContact CA-CE1 3.41Å; A172-Y175 HydrophobicContact CB-CE1 4.26Å; A172-T176 WeakPolarHBondContact O-CB 3.48Å; A172-T176 PolarHBondContact O-N 3.17Å; A172-T176 PolarHBondContact O-OG1 3.22Å; A172-A348 HydrophobicContact CB-CB 4.42Å
173T82.4Confident78.3Confident7 Ų735 Ų354%0.04319%0.187CC..Hα-helixtrans-65.6-43179.6-55.70000111.1A169 I171 Y175 T176 L177 V385 F386A169-T173 VanDerWaalsContact O-CB 3.23Å; A169-T173 WeakPolarHBondContact O-CB 3.22Å; A169-T173 PolarHBondContact O-N 3.33Å; A169-T173 PolarHBondContact O-OG1 3.36Å; I171-T173 PolarHBondContact O-N 3.2Å; T173-Y175 PolarHBondContact O-N 3.15Å; T173-T176 PolarHBondContact O-N 3.28Å; T173-L177 HydrophobicContact CG2-CD1 4.48Å; T173-L177 WeakPolarHBondContact O-CG 3.49Å; T173-L177 PolarHBondContact O-N 3.48Å; T173-L177 VanDerWaalsContact O-N 3.1Å; T173-V385 HydrophobicContact CG2-CG1 4.17Å; T173-F386 HydrophobicContact CG2-CD2 4.28Å
174M79.3Confident77.6Confident93 Ų9330.7 Ų30.746%0.45817%0.165SC..Hα-helixtrans-63.5-44-176-79.3-67.317400113.4L170 I171 L177L170-M174 HydrophobicContact CD1-CE 4.05Å; L170-M174 HydrophobicContact CD1-CG 4.34Å; L170-M174 WeakPolarHBondContact O-CB 3.41Å; L170-M174 WeakPolarHBondContact O-CG 3.42Å; L170-M174 PolarHBondContact O-N 3.38Å; I171-M174 PolarHBondContact O-N 3.48Å; M174-L177 WeakPolarHBondContact O-CB 3.21Å; M174-L177 PolarHBondContact O-N 3.43Å; M174-L177 HydrophobicContact SD-CD1 4.14Å
175Y73.2Confident76.9Confident16 Ų1630.8 Ų30.86%0.06317%0.166CC..Hα-helixtrans-74-31.4178.778.3-107.6000112I171 A172 T173 L177 V178 G179 M345 D349I171-Y175 WeakPolarHBondContact O-CD1 3.36Å; I171-Y175 PolarHBondContact O-N 2.85Å; A172-Y175 VanDerWaalsContact CA-CE1 3.41Å; A172-Y175 HydrophobicContact CB-CE1 4.26Å; T173-Y175 PolarHBondContact O-N 3.15Å; Y175-L177 VanDerWaalsContact C-N 3.26Å; Y175-L177 PolarHBondContact O-N 3.27Å; Y175-V178 PolarHBondContact O-N 3.45Å; Y175-V178 VanDerWaalsContact O-N 3.11Å; Y175-G179 PolarHBondContact O-N 3.21Å; Y175-M345 PolarHBondContact OH-O 2.86Å; Y175-M345 VanDerWaalsContact OH-O 3.09Å; Y175-D349 HydrophobicContact CE2-CB 3.78Å; Y175-D349 WeakPolarHBondContact CE2-OD2 3.05Å; Y175-D349 VanDerWaalsContact CZ-OD2 3.27Å; Y175-D349 WeakPolarHBondContact OH-CB 3.49Å; Y175-D349 PolarHBondContact OH-OD2 2.83Å
176T77.4Confident76.3Confident5 Ų534.1 Ų34.13%0.03118%0.178CC..Hα-helixtrans-59.6-38.6174.2-55.80000111.3A172 T173 V178 D349 L353 V385A172-T176 WeakPolarHBondContact O-CB 3.48Å; A172-T176 PolarHBondContact O-N 3.17Å; A172-T176 PolarHBondContact O-OG1 3.22Å; T173-T176 PolarHBondContact O-N 3.28Å; T176-V178 VanDerWaalsContact C-N 3.27Å; T176-V178 PolarHBondContact O-N 3.43Å; T176-D349 HydrophobicContact CG2-CB 4.29Å; T176-D349 WeakPolarHBondContact OG1-CB 3.49Å; T176-L353 HydrophobicContact CG2-CB 4.38Å; T176-V385 HydrophobicContact CG2-CG1 3.89Å; T176-V385 HydrophobicContact CG2-CG2 4.36Å
177L74.9Confident75.8Confident35 Ų3530.1 Ų30.118%0.18316%0.158CC..Hα-helixtrans-61.1-33.3176.2-70.8169.7000113.5T173 M174 Y175 R382 V385T173-L177 HydrophobicContact CG2-CD1 4.48Å; T173-L177 WeakPolarHBondContact O-CG 3.49Å; T173-L177 PolarHBondContact O-N 3.48Å; T173-L177 VanDerWaalsContact O-N 3.1Å; M174-L177 WeakPolarHBondContact O-CB 3.21Å; M174-L177 PolarHBondContact O-N 3.43Å; M174-L177 HydrophobicContact SD-CD1 4.14Å; Y175-L177 VanDerWaalsContact C-N 3.26Å; Y175-L177 PolarHBondContact O-N 3.27Å; L177-R382 HydrophobicContact CD2-CB 4.07Å; L177-R382 HydrophobicContact CD2-CG 4.48Å; L177-R382 WeakPolarHBondContact CD2-O 3.25Å; L177-R382 PolarHBondContact O-NE 3.14Å; L177-V385 HydrophobicContact CD2-CB 3.74Å; L177-V385 HydrophobicContact CD2-CG1 3.55Å; L177-V385 HydrophobicContact CG-CG1 3.83Å
178V65.9Low75.8Confident92 Ų9226.6 Ų26.656%0.55814%0.14SC*.Hα-helixtrans-87.1-34.8-174.4179.30000111.7Y175 T176Y175-V178 PolarHBondContact O-N 3.45Å; Y175-V178 VanDerWaalsContact O-N 3.11Å; T176-V178 VanDerWaalsContact C-N 3.27Å; T176-V178 PolarHBondContact O-N 3.43Å
179G62.1Low75.8Confident10 Ų1028.4 Ų28.410%0.10315%0.151CC..Hα-helixtrans-91.3-35.6-159.700000118.5Y175 S183Y175-G179 PolarHBondContact O-N 3.21Å; G179-S183 WeakPolarHBondContact CA-OG 3.5Å; G179-S183 WeakPolarHBondContact O-CB 3.09Å; G179-S183 PolarHBondContact O-N 3.42Å
180G67.5Low75.6Confident13 Ų1331.1 Ų31.113%0.13417%0.167CC..Hα-helixtrans60.9-177.9-169.100000113.8Y182 S183 V184G180-Y182 VanDerWaalsContact C-N 3.3Å; G180-Y182 PolarHBondContact O-N 3.17Å; G180-S183 PolarHBondContact O-N 2.96Å; G180-V184 WeakPolarHBondContact O-CG2 3.08Å; G180-V184 PolarHBondContact O-N 3.47Å
181L68.3Low75.6Confident10 Ų1026.6 Ų26.65%0.05214%0.144CC..Hα-helixtrans-57.7-37.4-172.5-172.772.5000113.7I42 I49 V184 A185 L353I42-L181 VanDerWaalsContact O-CB 3.29Å; I42-L181 WeakPolarHBondContact O-CB 3.43Å; I42-L181 PolarHBondContact O-N 2.96Å; I49-L181 HydrophobicContact CD1-CD2 4.45Å; L181-V184 PolarHBondContact O-N 3.38Å; L181-A185 WeakPolarHBondContact O-CB 3.5Å; L181-A185 PolarHBondContact O-N 2.71Å; L181-L353 HydrophobicContact CB-CD2 4.25Å; L181-L353 HydrophobicContact CD1-CD2 4.01Å
182Y67.7Low75.9Confident44 Ų4424.1 Ų24.117%0.17313%0.131CC..Hα-helixtrans-65.7-44179.4-91.2-72.4000112.9T29 G45 I49 G180 V184 A185 Y186T29-Y182 HydrophobicContact CG2-CD2 3.7Å; T29-Y182 HydrophobicContact CG2-CE2 4.07Å; T29-Y182 HydrophobicContact CG2-CG 4.28Å; G45-Y182 WeakPolarHBondContact O-CE2 3.37Å; G45-Y182 PolarHBondContact O-OH 3.44Å; I49-Y182 HydrophobicContact CG1-CE1 4.41Å; G180-Y182 VanDerWaalsContact C-N 3.3Å; G180-Y182 PolarHBondContact O-N 3.17Å; Y182-V184 VanDerWaalsContact C-N 3.28Å; Y182-V184 PolarHBondContact O-N 3.28Å; Y182-A185 PolarHBondContact O-N 3.43Å; Y182-Y186 HydrophobicContact CD1-CE2 4.1Å; Y182-Y186 VanDerWaalsContact O-CD2 3.31Å; Y182-Y186 WeakPolarHBondContact O-CD2 3.19Å; Y182-Y186 PolarHBondContact O-N 3.28Å; Y182-Y186 VanDerWaalsContact O-N 3.07Å
183S70.6Confident76.2Confident3 Ų329.9 Ų29.92%0.02116%0.156CC..Hα-helixtrans-59.7-45.1175.8178.20000110.6G22 G179 G180 Y186 T187G22-S183 WeakPolarHBondContact CA-OG 3.41Å; G22-S183 PolarHBondContact O-OG 3.41Å; G179-S183 WeakPolarHBondContact CA-OG 3.5Å; G179-S183 WeakPolarHBondContact O-CB 3.09Å; G179-S183 PolarHBondContact O-N 3.42Å; G180-S183 PolarHBondContact O-N 2.96Å; S183-Y186 PolarHBondContact O-N 3.49Å; S183-T187 WeakPolarHBondContact O-CG2 3.14Å; S183-T187 PolarHBondContact O-N 2.94Å; S183-T187 PolarHBondContact O-OG1 3.47Å
184V73.6Confident76.5Confident1 Ų130.5 Ų30.51%0.00616%0.16CC..Hα-helixtrans-60.2-48.5177.7177.50000110.2G180 L181 Y182 Y186 T187 D188 D349 L353G180-V184 WeakPolarHBondContact O-CG2 3.08Å; G180-V184 PolarHBondContact O-N 3.47Å; L181-V184 PolarHBondContact O-N 3.38Å; Y182-V184 VanDerWaalsContact C-N 3.28Å; Y182-V184 PolarHBondContact O-N 3.28Å; V184-Y186 VanDerWaalsContact C-N 3.32Å; V184-Y186 PolarHBondContact O-N 3.36Å; V184-T187 WeakPolarHBondContact CA-OG1 3.26Å; V184-T187 PolarHBondContact O-N 3.2Å; V184-T187 PolarHBondContact O-OG1 2.85Å; V184-D188 WeakPolarHBondContact O-CB 3.35Å; V184-D188 PolarHBondContact O-N 2.56Å; V184-D349 HydrophobicContact CG2-CB 4.31Å; V184-L353 HydrophobicContact CG2-CD2 4.23Å
185A73.6Confident76.9Confident2 Ų226.1 Ų26.12%0.01714%0.139CC..Hα-helixtrans-60.9-37.1-179.300000113.7V53 T57 L181 Y182 V189V53-A185 HydrophobicContact CG1-CB 4.24Å; T57-A185 HydrophobicContact CG2-CB 4.48Å; L181-A185 WeakPolarHBondContact O-CB 3.5Å; L181-A185 PolarHBondContact O-N 2.71Å; Y182-A185 PolarHBondContact O-N 3.43Å; A185-V189 WeakPolarHBondContact O-CG2 3.49Å; A185-V189 PolarHBondContact O-N 3.42Å
186Y75.6Confident77.6Confident71 Ų7129.1 Ų29.128%0.27815%0.152SC..Hα-helixtrans-76.9-36.3177.1-84.1-83.7000112.6W24 A25 Y182 S183 V184 D188 V189 V190W24-Y186 HydrophobicContact CZ3-CD1 4.47Å; A25-Y186 HydrophobicContact CB-CD2 4.04Å; A25-Y186 HydrophobicContact CB-CG 4.16Å; Y182-Y186 HydrophobicContact CD1-CE2 4.1Å; Y182-Y186 VanDerWaalsContact O-CD2 3.31Å; Y182-Y186 WeakPolarHBondContact O-CD2 3.19Å; Y182-Y186 PolarHBondContact O-N 3.28Å; Y182-Y186 VanDerWaalsContact O-N 3.07Å; S183-Y186 PolarHBondContact O-N 3.49Å; V184-Y186 VanDerWaalsContact C-N 3.32Å; V184-Y186 PolarHBondContact O-N 3.36Å; Y186-D188 VanDerWaalsContact C-N 3.32Å; Y186-V189 PolarHBondContact O-N 2.93Å; Y186-V190 PolarHBondContact O-N 2.82Å
187T80Confident78.3Confident2 Ų231.5 Ų31.51%0.01217%0.165CC..Hα-helixtrans-64.9-40173.250.10000110.9I18 V21 S183 V184 V189 V190 Q191I18-T187 HydrophobicContact CG2-CG2 3.88Å; V21-T187 HydrophobicContact CG1-CG2 4.37Å; S183-T187 WeakPolarHBondContact O-CG2 3.14Å; S183-T187 PolarHBondContact O-N 2.94Å; S183-T187 PolarHBondContact O-OG1 3.47Å; V184-T187 WeakPolarHBondContact CA-OG1 3.26Å; V184-T187 PolarHBondContact O-N 3.2Å; V184-T187 PolarHBondContact O-OG1 2.85Å; T187-V189 VanDerWaalsContact C-N 3.28Å; T187-V189 PolarHBondContact O-N 2.95Å; T187-V190 PolarHBondContact O-N 3.5Å; T187-V190 VanDerWaalsContact O-N 3.15Å; T187-Q191 WeakPolarHBondContact O-CB 3.38Å; T187-Q191 WeakPolarHBondContact O-CG 3.35Å; T187-Q191 PolarHBondContact O-N 3.36Å; T187-Q191 PolarHBondContact O-OE1 2.88Å
188D83.3Confident79.1Confident0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-55.2-42.2176.7-71.60.3000112.1T57 A60 V184 Y186 Q191 L192 R260 S346T57-D188 WeakPolarHBondContact CB-OD2 2.86Å; T57-D188 PolarHBondContact OG1-OD2 3.13Å; A60-D188 HydrophobicContact CB-CB 3.81Å; V184-D188 WeakPolarHBondContact O-CB 3.35Å; V184-D188 PolarHBondContact O-N 2.56Å; Y186-D188 VanDerWaalsContact C-N 3.32Å; D188-Q191 PolarHBondContact O-N 3.35Å; D188-L192 WeakPolarHBondContact O-CB 3.35Å; D188-L192 PolarHBondContact O-N 2.58Å; D188-R260 IonicContact OD2-CZ 3.78Å; D188-R260 IonicContact OD2-NH2 3.08Å; D188-R260 PolarHBondContact OD2-NH2 3.14Å; D188-S346 PolarHBondContact OD1-OG 2.85Å
189V82.6Confident80.3Confident38 Ų3825.5 Ų25.523%0.2313%0.13CC..Hα-helixtrans-62.7-47.1179.8174.90000110.9V53 F56 A185 Y186 T187 F193V53-V189 HydrophobicContact CB-CG2 4.39Å; V53-V189 HydrophobicContact CG1-CG2 4.06Å; V53-V189 HydrophobicContact CG2-CG2 4.48Å; F56-V189 HydrophobicContact CB-CB 4.46Å; F56-V189 HydrophobicContact CB-CG2 3.88Å; F56-V189 HydrophobicContact CD2-CG1 4.3Å; A185-V189 WeakPolarHBondContact O-CG2 3.49Å; A185-V189 PolarHBondContact O-N 3.42Å; Y186-V189 PolarHBondContact O-N 2.93Å; T187-V189 VanDerWaalsContact C-N 3.28Å; T187-V189 PolarHBondContact O-N 2.95Å; V189-F193 PolarHBondContact O-N 2.79Å; V189-F193 VanDerWaalsContact O-N 3.16Å
190V83.8Confident81.8Confident60 Ų6029.5 Ų29.536%0.36414%0.142SC..Hα-helixtrans-66.6-45.5179.9177.70000110.1V21 Y186 T187 L192 F193 C194V21-V190 HydrophobicContact CG1-CG2 4.22Å; Y186-V190 PolarHBondContact O-N 2.82Å; T187-V190 PolarHBondContact O-N 3.5Å; T187-V190 VanDerWaalsContact O-N 3.15Å; V190-L192 PolarHBondContact O-N 3.07Å; V190-F193 PolarHBondContact O-N 2.82Å; V190-C194 PolarHBondContact O-N 2.71Å; V190-C194 PolarHBondContact O-SG 3.38Å
191Q85.6Confident83.1Confident0 Ų032.2 Ų32.20%015%0.153CC..Hα-helixtrans-61.4-45.9179.5-71166.1-41.600110.9I18 T187 D188 F193 C194 I195 A342 S346I18-Q191 HydrophobicContact CD1-CG 3.92Å; I18-Q191 HydrophobicContact CG1-CG 4.32Å; T187-Q191 WeakPolarHBondContact O-CB 3.38Å; T187-Q191 WeakPolarHBondContact O-CG 3.35Å; T187-Q191 PolarHBondContact O-N 3.36Å; T187-Q191 PolarHBondContact O-OE1 2.88Å; D188-Q191 PolarHBondContact O-N 3.35Å; Q191-F193 VanDerWaalsContact C-N 3.32Å; Q191-F193 PolarHBondContact O-N 3.15Å; Q191-C194 WeakPolarHBondContact O-CB 3.36Å; Q191-C194 PolarHBondContact O-N 2.78Å; Q191-C194 VanDerWaalsContact O-N 3.14Å; Q191-I195 WeakPolarHBondContact O-CD1 3.34Å; Q191-I195 WeakPolarHBondContact O-CG1 3.1Å; Q191-I195 PolarHBondContact O-N 3.14Å; Q191-A342 HydrophobicContact CB-CB 3.88Å; Q191-A342 HydrophobicContact CG-CB 3.7Å; Q191-A342 PolarHBondContact NE2-O 3.28Å; Q191-S346 PolarHBondContact OE1-OG 3.27Å
192L86.1Confident84.3Confident5 Ų531.8 Ų31.83%0.02615%0.15CC..Hα-helixtrans-62.8-38.9179.3-168.861.3000112.8F56 T59 A60 V63 D188 V190 I195 F196 M284F56-L192 HydrophobicContact CB-CD2 4.05Å; F56-L192 HydrophobicContact CD1-CD2 3.65Å; F56-L192 HydrophobicContact CD1-CG 4.39Å; F56-L192 HydrophobicContact CG-CD2 4.35Å; F56-L192 WeakPolarHBondContact O-CD2 3.43Å; T59-L192 HydrophobicContact CG2-CD1 4.32Å; T59-L192 HydrophobicContact CG2-CD2 3.82Å; A60-L192 HydrophobicContact CB-CB 4.32Å; A60-L192 HydrophobicContact CB-CD1 4.49Å; A60-L192 HydrophobicContact CB-CD2 4.2Å; V63-L192 HydrophobicContact CB-CD1 4.26Å; V63-L192 HydrophobicContact CG1-CD1 4.09Å; D188-L192 WeakPolarHBondContact O-CB 3.35Å; D188-L192 PolarHBondContact O-N 2.58Å; V190-L192 PolarHBondContact O-N 3.07Å; L192-I195 HydrophobicContact CD1-CD1 4.38Å; L192-I195 PolarHBondContact O-N 3.39Å; L192-F196 WeakPolarHBondContact O-CB 3.05Å; L192-F196 PolarHBondContact O-N 2.96Å; L192-M284 HydrophobicContact CD1-CE 3.64Å; L192-M284 HydrophobicContact CD1-CG 4.12Å; L192-M284 HydrophobicContact CD1-SD 4.1Å; L192-M284 HydrophobicContact CG-CE 4.49Å
193F87.1Confident85.7Confident121 Ų12130 Ų3053%0.53114%0.144SC..Hα-helixtrans-64.6-43.4173.3-175.3-101000112.1V189 V190 Q191 I195 F196 L197V189-F193 PolarHBondContact O-N 2.79Å; V189-F193 VanDerWaalsContact O-N 3.16Å; V190-F193 PolarHBondContact O-N 2.82Å; Q191-F193 VanDerWaalsContact C-N 3.32Å; Q191-F193 PolarHBondContact O-N 3.15Å; F193-I195 PolarHBondContact O-N 3.28Å; F193-F196 PolarHBondContact O-N 3.34Å; F193-L197 HydrophobicContact CD1-CD1 4Å; F193-L197 HydrophobicContact CE1-CD1 3.28Å; F193-L197 HydrophobicContact CE1-CG 4.13Å; F193-L197 HydrophobicContact CE2-CD1 4.25Å; F193-L197 HydrophobicContact CE2-CG 4.44Å; F193-L197 HydrophobicContact CZ-CD1 3.44Å; F193-L197 VanDerWaalsContact CZ-CD1 3.44Å; F193-L197 HydrophobicContact CZ-CG 4.09Å; F193-L197 PolarHBondContact O-N 2.93Å
194C87.3Confident86.8Confident19 Ų1933.2 Ų33.213%0.12817%0.165CC..Hα-helixtrans-61-42.8175.6-69.30000111.9F14 V190 Q191 G198 A339F14-C194 HydrophobicContact CE2-CB 4.14Å; F14-C194 HydrophobicContact CZ-CB 4.05Å; V190-C194 PolarHBondContact O-N 2.71Å; V190-C194 PolarHBondContact O-SG 3.38Å; Q191-C194 WeakPolarHBondContact O-CB 3.36Å; Q191-C194 PolarHBondContact O-N 2.78Å; Q191-C194 VanDerWaalsContact O-N 3.14Å; C194-G198 WeakPolarHBondContact O-CA 3.33Å; C194-G198 PolarHBondContact O-N 2.89Å; C194-A339 HydrophobicContact CB-CB 4.31Å; C194-A339 VanDerWaalsContact O-CB 3.24Å; C194-A339 WeakPolarHBondContact O-CB 3.21Å
195I88Confident87.8Confident2 Ų237.3 Ų37.31%0.0118%0.183CC..Hα-helixtrans-61.5-47.4176.2-61.2157.1000110.7I68 Q191 L192 F193 L197 G198 L199 M284 A339 A343I68-I195 HydrophobicContact CD1-CG2 3.68Å; Q191-I195 WeakPolarHBondContact O-CD1 3.34Å; Q191-I195 WeakPolarHBondContact O-CG1 3.1Å; Q191-I195 PolarHBondContact O-N 3.14Å; L192-I195 HydrophobicContact CD1-CD1 4.38Å; L192-I195 PolarHBondContact O-N 3.39Å; F193-I195 PolarHBondContact O-N 3.28Å; I195-L197 PolarHBondContact O-N 3.37Å; I195-G198 PolarHBondContact O-N 3.1Å; I195-L199 HydrophobicContact CG2-CD1 3.74Å; I195-L199 HydrophobicContact CG2-CG 4.22Å; I195-L199 WeakPolarHBondContact O-CB 3.48Å; I195-L199 PolarHBondContact O-N 3.19Å; I195-M284 HydrophobicContact CB-CE 3.73Å; I195-M284 HydrophobicContact CG2-CE 3.4Å; I195-M284 VanDerWaalsContact CG2-CE 3.4Å; I195-A339 WeakPolarHBondContact CG1-O 3.24Å; I195-A343 HydrophobicContact CD1-CB 3.12Å; I195-A343 HydrophobicContact CG1-CB 3.66Å
196F89.4Confident88.9Confident78 Ų7837.2 Ų37.234%0.34218%0.182SC..Hα-helixtrans-57.6-54.8-178.6-179.5-99.3000109.5L192 F193 W200 V283 M284L192-F196 WeakPolarHBondContact O-CB 3.05Å; L192-F196 PolarHBondContact O-N 2.96Å; F193-F196 PolarHBondContact O-N 3.34Å; F196-W200 AromaticContact CD2-CD1 3.48Å; F196-W200 VanDerWaalsContact CD2-CD1 3.48Å; F196-W200 AromaticContact CD2-NE1 3.59Å; F196-W200 AromaticContact CE2-CD1 3.48Å; F196-W200 VanDerWaalsContact CE2-CD1 3.48Å; F196-W200 HydrophobicContact CE2-CG 4.42Å; F196-W200 AromaticContact CE2-NE1 3.31Å; F196-W200 VanDerWaalsContact CE2-NE1 3.31Å; F196-W200 AromaticContact CZ-CD1 4Å; F196-W200 VanDerWaalsContact O-CB 3.23Å; F196-W200 WeakPolarHBondContact O-CB 3.27Å; F196-W200 PolarHBondContact O-N 3.05Å; F196-W200 VanDerWaalsContact O-N 3.12Å; F196-V283 HydrophobicContact CE2-CG1 3.91Å; F196-M284 HydrophobicContact CB-CE 3.92Å; F196-M284 HydrophobicContact CB-SD 3.81Å; F196-M284 HydrophobicContact CD2-SD 3.6Å; F196-M284 VanDerWaalsContact CD2-SD 3.6Å; F196-M284 HydrophobicContact CG-SD 4.18Å
197L91.3Very high89.8Confident56 Ų5637.7 Ų37.729%0.29319%0.187SC..Hα-helixtrans-65.4-44.7178.7-66.2-174.8000112.6F193 I195 L199 I201 F335F193-L197 HydrophobicContact CD1-CD1 4Å; F193-L197 HydrophobicContact CE1-CD1 3.28Å; F193-L197 HydrophobicContact CE1-CG 4.13Å; F193-L197 HydrophobicContact CE2-CD1 4.25Å; F193-L197 HydrophobicContact CE2-CG 4.44Å; F193-L197 HydrophobicContact CZ-CD1 3.44Å; F193-L197 VanDerWaalsContact CZ-CD1 3.44Å; F193-L197 HydrophobicContact CZ-CG 4.09Å; F193-L197 PolarHBondContact O-N 2.93Å; I195-L197 PolarHBondContact O-N 3.37Å; L197-L199 PolarHBondContact O-N 2.58Å; L197-I201 HydrophobicContact CB-CD1 4.25Å; L197-I201 WeakPolarHBondContact O-CB 3.41Å; L197-I201 WeakPolarHBondContact O-CD1 3.43Å; L197-I201 WeakPolarHBondContact O-CG1 3.36Å; L197-I201 PolarHBondContact O-N 3.37Å; L197-F335 HydrophobicContact CB-CE1 4Å; L197-F335 HydrophobicContact CB-CZ 4.17Å
198G90.8Very high90.4Very high0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-60.2-48.7-174.700000112.5C194 I195 S202 F335C194-G198 WeakPolarHBondContact O-CA 3.33Å; C194-G198 PolarHBondContact O-N 2.89Å; I195-G198 PolarHBondContact O-N 3.1Å; G198-S202 WeakPolarHBondContact O-CB 3.43Å; G198-S202 PolarHBondContact O-N 3.09Å; G198-S202 VanDerWaalsContact O-N 3.17Å; G198-S202 PolarHBondContact O-OG 3.5Å; G198-F335 VanDerWaalsContact CA-CE1 3.4Å
199L91.9Very high91Very high1 Ų144.2 Ų44.21%0.00523%0.227CC..Hα-helixtrans-76.2-43.2-179.3-61.5-177.5000112.1I68 I195 L197 I201 S202 V203 P287 I291 L320 L324 V340I68-L199 HydrophobicContact CD1-CD1 4.15Å; I68-L199 HydrophobicContact CG2-CD1 3.73Å; I195-L199 HydrophobicContact CG2-CD1 3.74Å; I195-L199 HydrophobicContact CG2-CG 4.22Å; I195-L199 WeakPolarHBondContact O-CB 3.48Å; I195-L199 PolarHBondContact O-N 3.19Å; L197-L199 PolarHBondContact O-N 2.58Å; L199-I201 VanDerWaalsContact C-N 3.31Å; L199-I201 PolarHBondContact O-N 3.08Å; L199-S202 PolarHBondContact O-N 3.15Å; L199-S202 VanDerWaalsContact O-N 3.09Å; L199-V203 WeakPolarHBondContact O-CG2 3.34Å; L199-V203 PolarHBondContact O-N 2.75Å; L199-V203 VanDerWaalsContact O-N 3.09Å; L199-P287 HydrophobicContact CB-CB 3.51Å; L199-P287 HydrophobicContact CB-CG 4.14Å; L199-P287 HydrophobicContact CD1-CB 4.41Å; L199-I291 HydrophobicContact CD2-CD1 3.95Å; L199-L320 HydrophobicContact CD2-CD2 4.46Å; L199-L324 HydrophobicContact CD2-CD1 4.19Å; L199-V340 HydrophobicContact CD2-CG2 3.73Å
200W94.3Very high91.5Very high93 Ų9348.2 Ų48.235%0.35225%0.254SS..Hα-helixtrans-64.7-34.4179.5-83.199000113F196 P204 L286 P287F196-W200 AromaticContact CD2-CD1 3.48Å; F196-W200 VanDerWaalsContact CD2-CD1 3.48Å; F196-W200 AromaticContact CD2-NE1 3.59Å; F196-W200 AromaticContact CE2-CD1 3.48Å; F196-W200 VanDerWaalsContact CE2-CD1 3.48Å; F196-W200 HydrophobicContact CE2-CG 4.42Å; F196-W200 AromaticContact CE2-NE1 3.31Å; F196-W200 VanDerWaalsContact CE2-NE1 3.31Å; F196-W200 AromaticContact CZ-CD1 4Å; F196-W200 VanDerWaalsContact O-CB 3.23Å; F196-W200 WeakPolarHBondContact O-CB 3.27Å; F196-W200 PolarHBondContact O-N 3.05Å; F196-W200 VanDerWaalsContact O-N 3.12Å; W200-P204 WeakPolarHBondContact O-CD 3.45Å; W200-L286 HydrophobicContact CH2-CB 4.23Å; W200-L286 HydrophobicContact CH2-CD1 4.24Å; W200-L286 HydrophobicContact CZ2-CB 3.95Å; W200-L286 HydrophobicContact CZ2-CD1 4.12Å; W200-P287 VanDerWaalsContact CD1-CG 3.45Å; W200-P287 HydrophobicContact CD2-CG 3.76Å; W200-P287 VanDerWaalsContact CE2-CG 3.49Å; W200-P287 HydrophobicContact CG-CG 3.75Å; W200-P287 HydrophobicContact CZ2-CG 4.12Å; W200-P287 VanDerWaalsContact NE1-CG 3.26Å
201I94Very high91.9Very high71 Ų7145.6 Ų45.636%0.36424%0.239SC..Hα-helixtrans-71.3-36.3173.3-67.1168.2000110.3L197 L199 P204 F205 I332 F335L197-I201 HydrophobicContact CB-CD1 4.25Å; L197-I201 WeakPolarHBondContact O-CB 3.41Å; L197-I201 WeakPolarHBondContact O-CD1 3.43Å; L197-I201 WeakPolarHBondContact O-CG1 3.36Å; L197-I201 PolarHBondContact O-N 3.37Å; L199-I201 VanDerWaalsContact C-N 3.31Å; L199-I201 PolarHBondContact O-N 3.08Å; I201-P204 VanDerWaalsContact O-CD 3.26Å; I201-P204 WeakPolarHBondContact O-CD 3.37Å; I201-P204 WeakPolarHBondContact O-CG 3.28Å; I201-F205 HydrophobicContact CG2-CD2 4.49Å; I201-F205 HydrophobicContact CG2-CE2 4.31Å; I201-F205 VanDerWaalsContact O-CD2 3.29Å; I201-F205 WeakPolarHBondContact O-CD2 3.47Å; I201-I332 HydrophobicContact CG2-CD1 4.36Å; I201-I332 HydrophobicContact CG2-CG2 4.15Å; I201-F335 HydrophobicContact CD1-CE1 4.37Å
202S94Very high92.3Very high0 Ų046.5 Ų46.50%024%0.244CC..Hα-helixtrans-68-36.7-178.2-61.50000113.5G198 L199 F205 A206 L324G198-S202 WeakPolarHBondContact O-CB 3.43Å; G198-S202 PolarHBondContact O-N 3.09Å; G198-S202 VanDerWaalsContact O-N 3.17Å; G198-S202 PolarHBondContact O-OG 3.5Å; L199-S202 PolarHBondContact O-N 3.15Å; L199-S202 VanDerWaalsContact O-N 3.09Å; S202-F205 PolarHBondContact O-N 2.9Å; S202-A206 WeakPolarHBondContact O-CB 3.35Å; S202-A206 PolarHBondContact O-N 3.04Å; S202-L324 WeakPolarHBondContact OG-CD2 3.26Å
203V95.9Very high92.7Very high7 Ų748.3 Ų48.34%0.04226%0.255CS..Hα-helixtrans-51.5-56.9-178.4168.10000113.9L199 F205 A206 M207 P287 L290 I291L199-V203 WeakPolarHBondContact O-CG2 3.34Å; L199-V203 PolarHBondContact O-N 2.75Å; L199-V203 VanDerWaalsContact O-N 3.09Å; V203-F205 VanDerWaalsContact C-N 3.29Å; V203-F205 PolarHBondContact O-N 3.39Å; V203-A206 PolarHBondContact O-N 3.04Å; V203-M207 HydrophobicContact CG1-CG 4.35Å; V203-M207 HydrophobicContact CG1-SD 3.85Å; V203-M207 WeakPolarHBondContact O-CB 3.39Å; V203-M207 VanDerWaalsContact O-CG 3.32Å; V203-M207 WeakPolarHBondContact O-CG 3.22Å; V203-M207 PolarHBondContact O-N 3.08Å; V203-P287 HydrophobicContact CG2-CB 4.01Å; V203-L290 HydrophobicContact CG1-CB 4.1Å; V203-L290 HydrophobicContact CG1-CD1 3.81Å; V203-L290 HydrophobicContact CG2-CB 4.14Å; V203-L290 HydrophobicContact CG2-CD1 4.45Å; V203-I291 HydrophobicContact CG2-CD1 4.46Å; V203-I291 HydrophobicContact CG2-CG1 4.12Å
204P95.1Very high93Very high70 Ų7047.9 Ų47.946%0.45526%0.259SS..Hα-helixtrans-63.3-34.2-177.423.4-34.5000113W200 I201 S208W200-P204 WeakPolarHBondContact O-CD 3.45Å; I201-P204 VanDerWaalsContact O-CD 3.26Å; I201-P204 WeakPolarHBondContact O-CD 3.37Å; I201-P204 WeakPolarHBondContact O-CG 3.28Å; P204-S208 WeakPolarHBondContact O-CB 3.37Å; P204-S208 PolarHBondContact O-N 3.27Å; P204-S208 PolarHBondContact O-OG 2.97Å
205F94.9Very high93.3Very high88 Ų8848.1 Ų48.139%0.38626%0.258SS..Hα-helixtrans-68.9-46.6176.9-77.4-89.3000111.4I201 S202 V203 M207 S208 H209 P329 I332I201-F205 HydrophobicContact CG2-CD2 4.49Å; I201-F205 HydrophobicContact CG2-CE2 4.31Å; I201-F205 VanDerWaalsContact O-CD2 3.29Å; I201-F205 WeakPolarHBondContact O-CD2 3.47Å; S202-F205 PolarHBondContact O-N 2.9Å; V203-F205 VanDerWaalsContact C-N 3.29Å; V203-F205 PolarHBondContact O-N 3.39Å; F205-M207 VanDerWaalsContact C-N 3.34Å; F205-M207 PolarHBondContact O-N 3.11Å; F205-S208 PolarHBondContact O-N 3.14Å; F205-S208 VanDerWaalsContact O-N 3.16Å; F205-S208 PolarHBondContact O-OG 3.47Å; F205-H209 PolarHBondContact O-N 3.39Å; F205-P329 HydrophobicContact CD1-CG 3.62Å; F205-P329 HydrophobicContact CE1-CG 4.17Å; F205-P329 HydrophobicContact CG-CG 4.37Å; F205-I332 HydrophobicContact CB-CD1 4.31Å; F205-I332 HydrophobicContact CD1-CD1 3.6Å; F205-I332 HydrophobicContact CD2-CD1 3.25Å; F205-I332 HydrophobicContact CE1-CD1 3.55Å; F205-I332 HydrophobicContact CE2-CD1 3.2Å; F205-I332 HydrophobicContact CG-CD1 3.43Å; F205-I332 VanDerWaalsContact CG-CD1 3.43Å; F205-I332 HydrophobicContact CZ-CD1 3.35Å
206A95.3Very high93.5Very high0 Ų050.2 Ų50.20%028%0.28CS..Hα-helixtrans-60.6-42.4175.400000111.7S202 V203 S208 H209 V212 I294 V323 L327S202-A206 WeakPolarHBondContact O-CB 3.35Å; S202-A206 PolarHBondContact O-N 3.04Å; V203-A206 PolarHBondContact O-N 3.04Å; A206-S208 VanDerWaalsContact C-N 3.28Å; A206-S208 PolarHBondContact O-N 2.64Å; A206-H209 WeakPolarHBondContact O-CB 3.23Å; A206-H209 PolarHBondContact O-N 2.91Å; A206-V212 WeakPolarHBondContact O-CG2 3.27Å; A206-I294 HydrophobicContact CB-CD1 3.93Å; A206-I294 HydrophobicContact CB-CG2 4.19Å; A206-V323 HydrophobicContact CB-CG1 4.04Å; A206-L327 HydrophobicContact CB-CB 4.25Å
207M94.7Very high93.6Very high80 Ų8050.7 Ų50.739%0.39429%0.286SS..Hα-helixtrans-64.2-30.6175.9-72.3-177.666.300113.6V203 F205 H209 I215 I294V203-M207 HydrophobicContact CG1-CG 4.35Å; V203-M207 HydrophobicContact CG1-SD 3.85Å; V203-M207 WeakPolarHBondContact O-CB 3.39Å; V203-M207 VanDerWaalsContact O-CG 3.32Å; V203-M207 WeakPolarHBondContact O-CG 3.22Å; V203-M207 PolarHBondContact O-N 3.08Å; F205-M207 VanDerWaalsContact C-N 3.34Å; F205-M207 PolarHBondContact O-N 3.11Å; M207-H209 VanDerWaalsContact C-N 3.27Å; M207-H209 PolarHBondContact O-N 3.44Å; M207-I215 HydrophobicContact CE-CD1 3.6Å; M207-I215 HydrophobicContact CE-CG1 3.96Å; M207-I215 HydrophobicContact SD-CD1 4.14Å; M207-I294 HydrophobicContact CB-CD1 4.5Å; M207-I294 HydrophobicContact CG-CD1 3.44Å; M207-I294 VanDerWaalsContact CG-CD1 3.44Å; M207-I294 HydrophobicContact CG-CG1 3.76Å
208S93.9Very high93.7Very high86 Ų8648.3 Ų48.360%0.60127%0.274SS*.THydrogen-bonded Turntrans-81-5.8-179.670.60000114P204 F205 A206P204-S208 WeakPolarHBondContact O-CB 3.37Å; P204-S208 PolarHBondContact O-N 3.27Å; P204-S208 PolarHBondContact O-OG 2.97Å; F205-S208 PolarHBondContact O-N 3.14Å; F205-S208 VanDerWaalsContact O-N 3.16Å; F205-S208 PolarHBondContact O-OG 3.47Å; A206-S208 VanDerWaalsContact C-N 3.28Å; A206-S208 PolarHBondContact O-N 2.64Å
209H94.6Very high93.8Very high54 Ų5448.9 Ų48.925%0.2528%0.279CS..SBendtrans-66.6134-177.8-171.5-82.8000110.8F205 A206 M207 A211 V212 L327F205-H209 PolarHBondContact O-N 3.39Å; A206-H209 WeakPolarHBondContact O-CB 3.23Å; A206-H209 PolarHBondContact O-N 2.91Å; M207-H209 VanDerWaalsContact C-N 3.27Å; M207-H209 PolarHBondContact O-N 3.44Å; H209-A211 WeakPolarHBondContact ND1-CB 3.33Å; H209-A211 PolarHBondContact ND1-N 2.95Å; H209-A211 PolarHBondContact O-N 2.61Å; H209-A211 VanDerWaalsContact O-N 3.09Å; H209-V212 HydrophobicContact CB-CG2 4.02Å; H209-V212 WeakPolarHBondContact O-CB 3.19Å; H209-V212 PolarHBondContact O-N 3.32Å; H209-L327 HydrophobicContact CB-CB 4.32Å; H209-L327 HydrophobicContact CB-CD2 4.44Å
210P92.8Very high93.8Very high122 Ų12253 Ų5379%0.79230%0.304SS*.THydrogen-bonded Turntrans-57.4-29.9-173.8-27.534.9000115.5V212P210-V212 PolarHBondContact O-N 3.01Å
211A92.8Very high93.6Very high5 Ų553.7 Ų53.74%0.04131%0.311CS..THydrogen-bonded Turntrans-77.3-4.1178.300000114.2H209 T298 A299 E302 T303H209-A211 WeakPolarHBondContact ND1-CB 3.33Å; H209-A211 PolarHBondContact ND1-N 2.95Å; H209-A211 PolarHBondContact O-N 2.61Å; H209-A211 VanDerWaalsContact O-N 3.09Å; A211-T298 HydrophobicContact CB-CG2 4.49Å; A211-A299 PolarHBondContact O-N 3.33Å; A211-E302 HydrophobicContact CB-CB 4.02Å; A211-T303 HydrophobicContact CB-CG2 3.72Å
212V94.7Very high93.5Very high18 Ų1857.7 Ų57.711%0.10933%0.328CS..BIsolated β-bridgetrans-98.7120.2-178.41800000109.3A206 H209 P210 I294 L327A206-V212 WeakPolarHBondContact O-CG2 3.27Å; H209-V212 HydrophobicContact CB-CG2 4.02Å; H209-V212 WeakPolarHBondContact O-CB 3.19Å; H209-V212 PolarHBondContact O-N 3.32Å; P210-V212 PolarHBondContact O-N 3.01Å; V212-I294 HydrophobicContact CG1-CG2 4.04Å; V212-I294 HydrophobicContact CG2-CG2 3.94Å; V212-L327 HydrophobicContact CG2-CD1 3.94Å; V212-L327 HydrophobicContact CG2-CD2 4.47Å
213T94.2Very high93.3Very high43 Ų4360.8 Ų60.826%0.26435%0.347SS..PPolyproline II helixtrans-78.7157.8172.248.70000111.4I215 T218 V223 H224 S297T213-I215 PolarHBondContact O-N 3.17Å; T213-I215 VanDerWaalsContact O-N 3.09Å; T213-T218 VanDerWaalsContact OG1-CG2 3.26Å; T213-T218 WeakPolarHBondContact OG1-CG2 3.34Å; T213-V223 HydrophobicContact CG2-CG1 4.45Å; T213-H224 WeakPolarHBondContact CG2-NE2 3.29Å; T213-H224 PolarHBondContact OG1-NE2 3.31Å; T213-S297 PolarHBondContact N-O 2.97Å; T213-S297 PolarHBondContact OG1-O 3.03Å
214D93.8Very high92.8Very high113 Ų11364.5 Ų64.560%0.60436%0.363SS*.PPolyproline II helixtrans-54.4118.4179.8-175.3-72.1000110.9G216 L217 T218D214-G216 PolarHBondContact O-N 3.04Å; D214-G216 WeakPolarHBondContact OD1-CA 3.36Å; D214-G216 PolarHBondContact OD1-N 3.2Å; D214-L217 HydrophobicContact CB-CB 4.29Å; D214-L217 WeakPolarHBondContact O-CB 3.43Å; D214-L217 PolarHBondContact O-N 3.04Å; D214-L217 PolarHBondContact OD1-N 3.26Å; D214-L217 VanDerWaalsContact OD1-N 3.12Å; D214-T218 PolarHBondContact O-N 2.55Å; D214-T218 VanDerWaalsContact O-N 3.16Å; D214-T218 PolarHBondContact O-OG1 3.36Å
215I92.9Very high92.6Very high23 Ų2362.5 Ų62.512%0.11835%0.348CS..Hα-helixtrans-64.6-25.5-176.164.2172000112.3M207 T213 L217 T218 A219 W228 L290 I294M207-I215 HydrophobicContact CE-CD1 3.6Å; M207-I215 HydrophobicContact CE-CG1 3.96Å; M207-I215 HydrophobicContact SD-CD1 4.14Å; T213-I215 PolarHBondContact O-N 3.17Å; T213-I215 VanDerWaalsContact O-N 3.09Å; I215-L217 VanDerWaalsContact C-N 3.34Å; I215-T218 WeakPolarHBondContact CA-OG1 3.38Å; I215-T218 PolarHBondContact O-OG1 3.11Å; I215-A219 WeakPolarHBondContact O-CB 3.4Å; I215-A219 PolarHBondContact O-N 3.07Å; I215-W228 WeakPolarHBondContact O-CZ2 3.47Å; I215-W228 PolarHBondContact O-NE1 3.44Å; I215-L290 HydrophobicContact CD1-CD2 4.04Å; I215-I294 HydrophobicContact CG2-CG1 4.19Å
216G92.1Very high92.4Very high46 Ų4659.8 Ų59.847%0.47434%0.342SS..Hα-helixtrans-69.1-34.3174.900000112.1D214 A219D214-G216 PolarHBondContact O-N 3.04Å; D214-G216 WeakPolarHBondContact OD1-CA 3.36Å; D214-G216 PolarHBondContact OD1-N 3.2Å; G216-A219 WeakPolarHBondContact O-CB 3.46Å
217L92.4Very high92.3Very high88 Ų8861.7 Ų61.746%0.46135%0.354SS..Hα-helixtrans-70.2-51.1174.3-174.874.9000111.2D214 I215 A219 V220 H221 V223D214-L217 HydrophobicContact CB-CB 4.29Å; D214-L217 WeakPolarHBondContact O-CB 3.43Å; D214-L217 PolarHBondContact O-N 3.04Å; D214-L217 PolarHBondContact OD1-N 3.26Å; D214-L217 VanDerWaalsContact OD1-N 3.12Å; I215-L217 VanDerWaalsContact C-N 3.34Å; L217-A219 PolarHBondContact O-N 2.91Å; L217-V220 PolarHBondContact O-N 3.12Å; L217-H221 WeakPolarHBondContact O-CB 3.42Å; L217-H221 PolarHBondContact O-CD2 2.89Å; L217-H221 PolarHBondContact O-N 3.44Å; L217-V223 HydrophobicContact CD2-CG2 4.29Å
218T93Very high92.2Very high7 Ų759.3 Ų59.34%0.04334%0.341CS..Hα-helixtrans-70.1-11.4-178.860.20000113.4T213 D214 I215 V220 H221 V223 P227 W228 S297T213-T218 VanDerWaalsContact OG1-CG2 3.26Å; T213-T218 WeakPolarHBondContact OG1-CG2 3.34Å; D214-T218 PolarHBondContact O-N 2.55Å; D214-T218 VanDerWaalsContact O-N 3.16Å; D214-T218 PolarHBondContact O-OG1 3.36Å; I215-T218 WeakPolarHBondContact CA-OG1 3.38Å; I215-T218 PolarHBondContact O-OG1 3.11Å; T218-V220 PolarHBondContact O-N 3.5Å; T218-H221 WeakPolarHBondContact CA-O 3.1Å; T218-V223 HydrophobicContact CG2-CB 4.12Å; T218-V223 HydrophobicContact CG2-CG2 3.94Å; T218-P227 VanDerWaalsContact O-CA 3.3Å; T218-P227 WeakPolarHBondContact O-CA 3.47Å; T218-W228 VanDerWaalsContact C-CD1 3.44Å; T218-W228 PolarHBondContact O-N 3.19Å; T218-W228 PolarHBondContact OG1-NE1 2.86Å; T218-W228 VanDerWaalsContact OG1-NE1 3.15Å; T218-S297 WeakPolarHBondContact CB-OG 3.48Å; T218-S297 PolarHBondContact OG1-OG 3.43Å
219A92.2Very high92Very high12 Ų1259 Ų5910%0.09933%0.332CS..THydrogen-bonded Turntrans-60.8-35.7174.300000111.8I215 G216 L217 P227 W228 L229I215-A219 WeakPolarHBondContact O-CB 3.4Å; I215-A219 PolarHBondContact O-N 3.07Å; G216-A219 WeakPolarHBondContact O-CB 3.46Å; L217-A219 PolarHBondContact O-N 2.91Å; A219-P227 VanDerWaalsContact O-CB 3.22Å; A219-P227 WeakPolarHBondContact O-CB 3.41Å; A219-W228 HydrophobicContact CB-CD2 4.4Å; A219-W228 HydrophobicContact CB-CH2 4.26Å; A219-W228 HydrophobicContact CB-CZ2 3.47Å; A219-W228 VanDerWaalsContact CB-CZ2 3.47Å; A219-W228 VanDerWaalsContact N-NE1 3.13Å; A219-L229 WeakPolarHBondContact O-CB 3.22Å; A219-L229 PolarHBondContact O-N 3.41Å
220V92Very high91.8Very high88 Ų8857.5 Ų57.553%0.53333%0.332SS..THydrogen-bonded Turntrans-125-20.8-173.7-63.90000113.3L217 T218 P227L217-V220 PolarHBondContact O-N 3.12Å; T218-V220 PolarHBondContact O-N 3.5Å; V220-P227 WeakPolarHBondContact O-CG 3.32Å
221H91.3Very high91.5Very high107 Ų10756 Ų5650%0.49532%0.323SS..SBendtrans-105.9139.6178.9-62.8-68.3000111.8L217 T218 V223L217-H221 WeakPolarHBondContact O-CB 3.42Å; L217-H221 PolarHBondContact O-CD2 2.89Å; L217-H221 PolarHBondContact O-N 3.44Å; T218-H221 WeakPolarHBondContact CA-O 3.1Å; H221-V223 PolarHBondContact O-N 3.41Å
222Q90.8Very high91.2Very high154 Ų15458.7 Ų58.772%0.7234%0.337SS*.  trans-79.1108.6172.8-177.2176.2-11.700109.3Q225Q222-Q225 WeakPolarHBondContact CG-O 2.84Å
223V89.2Confident90.7Very high66 Ų6661.7 Ų61.740%0.435%0.352SS..SBendtrans-109.6-69.6178.8-1770000110T213 L217 T218 H221T213-V223 HydrophobicContact CG2-CG1 4.45Å; L217-V223 HydrophobicContact CD2-CG2 4.29Å; T218-V223 HydrophobicContact CG2-CB 4.12Å; T218-V223 HydrophobicContact CG2-CG2 3.94Å; H221-V223 PolarHBondContact O-N 3.41Å
224H87.3Confident90.2Very high84 Ų8464 Ų6439%0.38937%0.37SS..SBendtrans-96.6-38.3176.4-57.6-61.7000111.9T213 S297T213-H224 WeakPolarHBondContact CG2-NE2 3.29Å; T213-H224 PolarHBondContact OG1-NE2 3.31Å; H224-S297 PolarHBondContact CD2-O 3.31Å
225Q90.3Very high89.6Confident29 Ų2963.3 Ų63.314%0.13637%0.366CS..SBendtrans-147-177.717857.8171.645.200110.2Y76 P78 Q222 A296Y76-Q225 PolarHBondContact O-NE2 3.49Å; P78-Q225 HydrophobicContact CG-CB 4.27Å; Q222-Q225 WeakPolarHBondContact CG-O 2.84Å; Q225-A296 HydrophobicContact CG-CB 4.4Å; Q225-A296 WeakPolarHBondContact CG-O 3.41Å; Q225-A296 VanDerWaalsContact NE2-CA 3.33Å
226A90.2Very high89.2Confident30 Ų3064.9 Ų64.925%0.24837%0.373CS..SBendtrans-54.2147.5177.300000111.7P78 W228P78-A226 HydrophobicContact CB-CB 4.09Å; A226-W228 PolarHBondContact O-N 2.94Å
227P92.5Very high89.1Confident41 Ų4166.5 Ų66.527%0.26637%0.37SS..  trans-57.3132.2-175.3-22.231.1000112.6T218 A219 V220 L229 G230T218-P227 VanDerWaalsContact O-CA 3.3Å; T218-P227 WeakPolarHBondContact O-CA 3.47Å; A219-P227 VanDerWaalsContact O-CB 3.22Å; A219-P227 WeakPolarHBondContact O-CB 3.41Å; V220-P227 WeakPolarHBondContact O-CG 3.32Å; P227-L229 VanDerWaalsContact C-N 3.25Å; P227-L229 PolarHBondContact O-N 3.45Å; P227-G230 PolarHBondContact O-N 3.26Å; P227-G230 VanDerWaalsContact O-N 3.07Å
228W92.7Very high89Confident30 Ų3069.2 Ų69.211%0.11438%0.375CS..THydrogen-bonded Turntrans-73.5-13.7-172.766-100.9000113.6V75 G81 L82 I215 T218 A219 A226 G230 A293 A296V75-W228 HydrophobicContact CG1-CB 4.29Å; V75-W228 HydrophobicContact CG1-CE3 3.98Å; G81-W228 CarbonylContact C-O 3.36Å; G81-W228 WeakPolarHBondContact CA-O 3.24Å; L82-W228 HydrophobicContact CB-CE3 4.4Å; L82-W228 HydrophobicContact CB-CZ3 4.37Å; L82-W228 HydrophobicContact CD2-CZ3 4.27Å; L82-W228 PolarHBondContact N-O 3.43Å; I215-W228 WeakPolarHBondContact O-CZ2 3.47Å; I215-W228 PolarHBondContact O-NE1 3.44Å; T218-W228 VanDerWaalsContact C-CD1 3.44Å; T218-W228 PolarHBondContact O-N 3.19Å; T218-W228 PolarHBondContact OG1-NE1 2.86Å; T218-W228 VanDerWaalsContact OG1-NE1 3.15Å; A219-W228 HydrophobicContact CB-CD2 4.4Å; A219-W228 HydrophobicContact CB-CH2 4.26Å; A219-W228 HydrophobicContact CB-CZ2 3.47Å; A219-W228 VanDerWaalsContact CB-CZ2 3.47Å; A219-W228 VanDerWaalsContact N-NE1 3.13Å; A226-W228 PolarHBondContact O-N 2.94Å; W228-G230 PolarHBondContact O-N 2.88Å; W228-A293 HydrophobicContact CD2-CB 3.55Å; W228-A293 HydrophobicContact CE3-CB 3.8Å; W228-A293 HydrophobicContact CG-CB 3.9Å; W228-A293 HydrophobicContact CH2-CB 4.47Å; W228-A293 HydrophobicContact CZ2-CB 4.22Å; W228-A293 HydrophobicContact CZ3-CB 4.26Å; W228-A296 HydrophobicContact CB-CB 3.78Å
229L91.4Very high88.7Confident78 Ų7870.2 Ų70.241%0.40838%0.381SS..THydrogen-bonded Turntrans-63.9-31.5170.2-167.272.4000110.8L82 A83 A219 P227L82-L229 HydrophobicContact CB-CD1 4.46Å; L82-L229 HydrophobicContact CD2-CD1 3.94Å; L82-L229 PolarHBondContact N-O 3.49Å; A83-L229 PolarHBondContact N-O 2.83Å; A219-L229 WeakPolarHBondContact O-CB 3.22Å; A219-L229 PolarHBondContact O-N 3.41Å; P227-L229 VanDerWaalsContact C-N 3.25Å; P227-L229 PolarHBondContact O-N 3.45Å
230G88.5Confident88.6Confident24 Ų2472.2 Ų72.225%0.24739%0.386CS..  trans71175.7-179.500000113.9Y80 P227 W228Y80-G230 WeakPolarHBondContact O-CA 3.33Å; P227-G230 PolarHBondContact O-N 3.26Å; P227-G230 VanDerWaalsContact O-N 3.07Å; W228-G230 PolarHBondContact O-N 2.88Å
231S86.6Confident88.6Confident89 Ų8971.8 Ų71.862%0.62238%0.38SS*.  trans-146.5143.4174.5660000110.4
232I86.7Confident88.6Confident62 Ų6266.9 Ų66.932%0.31836%0.358SS..  trans-92.4117.3174.6-53.4168.7000107.5A83 I237 W240A83-I232 HydrophobicContact CB-CG1 3.98Å; I232-I237 HydrophobicContact CG2-CG1 3.86Å; I232-W240 HydrophobicContact CD1-CD2 3.84Å; I232-W240 HydrophobicContact CD1-CG 3.96Å; I232-W240 HydrophobicContact CD1-CZ2 4.1Å; I232-W240 HydrophobicContact CG1-CG 4.45Å; I232-W240 HydrophobicContact CG2-CB 4.24Å; I232-W240 HydrophobicContact CG2-CG 4.23Å
233N84.9Confident88.5Confident81 Ų8160.5 Ų60.543%0.43333%0.329SS..  trans-68.2140.1174.5-169.1-37.1000109.8L235 E236 I237N233-L235 PolarHBondContact O-N 3.23Å; N233-L235 PolarHBondContact OD1-N 3.19Å; N233-L235 VanDerWaalsContact OD1-N 3.14Å; N233-E236 HydrophobicContact CB-CG 4.33Å; N233-E236 PolarHBondContact O-N 3.26Å; N233-I237 PolarHBondContact O-N 2.78Å
234S83.3Confident88.6Confident93 Ų9359 Ų5965%0.6532%0.317SS*.THydrogen-bonded Turntrans-51.7-29.2176.3-55.40000113.5E236S234-E236 VanDerWaalsContact C-N 3.35Å
235L82.4Confident88.9Confident98 Ų9857 Ų5751%0.51331%0.309SS..THydrogen-bonded Turntrans-75.4-20.6178.1-67.2170.1000114N233N233-L235 PolarHBondContact O-N 3.23Å; N233-L235 PolarHBondContact OD1-N 3.19Å; N233-L235 VanDerWaalsContact OD1-N 3.14Å
236E84.4Confident89Confident56 Ų5655.6 Ų55.626%0.26230%0.302SS..THydrogen-bonded Turntrans-106.1-6.7-174.2-65.3173.3159.700112.6W84 N233 S234 Y238 T239 W240W84-E236 HydrophobicContact CH2-CB 4.16Å; W84-E236 HydrophobicContact CZ2-CB 3.94Å; W84-E236 WeakPolarHBondContact CZ2-OE2 3.46Å; N233-E236 HydrophobicContact CB-CG 4.33Å; N233-E236 PolarHBondContact O-N 3.26Å; S234-E236 VanDerWaalsContact C-N 3.35Å; E236-Y238 PolarHBondContact O-N 3.44Å; E236-Y238 VanDerWaalsContact O-N 3.12Å; E236-T239 PolarHBondContact O-N 3.37Å; E236-W240 WeakPolarHBondContact O-CB 3.46Å; E236-W240 PolarHBondContact O-N 2.94Å
237I89.1Confident89Confident80 Ų8054.5 Ų54.541%0.4129%0.292SS..Hα-helixtrans-49.5-41.5179-78.9175000112.1I232 N233 W240 L241I232-I237 HydrophobicContact CG2-CG1 3.86Å; N233-I237 PolarHBondContact O-N 2.78Å; I237-W240 PolarHBondContact O-N 3.01Å; I237-L241 WeakPolarHBondContact O-CB 3.34Å; I237-L241 PolarHBondContact O-N 3.39Å
238Y89.4Confident89Confident145 Ų14553.3 Ų53.357%0.56928%0.283SS*.Hα-helixtrans-70.1-40.2-179-64.6-60.4000112.7E236 L241 D242 R476E236-Y238 PolarHBondContact O-N 3.44Å; E236-Y238 VanDerWaalsContact O-N 3.12Å; Y238-L241 PolarHBondContact O-N 3.17Å; Y238-D242 WeakPolarHBondContact O-CB 3.35Å; Y238-D242 PolarHBondContact O-N 3.38Å; Y238-R476 WeakPolarHBondContact CB-O 3.27Å
239T87.3Confident89.1Confident28 Ų2854.6 Ų54.617%0.17229%0.29CS..Hα-helixtrans-66.6-42.2174.3-49.40000111E236 L241 D242 N243 R476E236-T239 PolarHBondContact O-N 3.37Å; T239-L241 VanDerWaalsContact C-N 3.33Å; T239-L241 PolarHBondContact O-N 3.35Å; T239-D242 PolarHBondContact O-N 2.85Å; T239-N243 WeakPolarHBondContact O-CB 3.46Å; T239-N243 PolarHBondContact O-N 2.87Å; T239-N243 PolarHBondContact O-ND2 3.01Å; T239-N243 PolarHBondContact O-OD1 3.48Å; T239-R476 WeakPolarHBondContact OG1-CA 3.47Å; T239-R476 PolarHBondContact OG1-O 3.15Å; T239-R476 VanDerWaalsContact OG1-O 3.13Å
240W89.6Confident89Confident54 Ų5450.9 Ų50.921%0.20527%0.27CS..Hα-helixtrans-57.9-47.8175.2-172.398.4000110.4A83 W84 Q86 I232 E236 I237 N243 F244A83-W240 PolarHBondContact O-NE1 3.39Å; W84-W240 AromaticContact CD2-CD1 3.97Å; W84-W240 AromaticContact CE3-CD1 3.99Å; W84-W240 HydrophobicContact CH2-CB 4.31Å; Q86-W240 HydrophobicContact CG-CZ2 3.93Å; Q86-W240 PolarHBondContact NE2-O 3.01Å; I232-W240 HydrophobicContact CD1-CD2 3.84Å; I232-W240 HydrophobicContact CD1-CG 3.96Å; I232-W240 HydrophobicContact CD1-CZ2 4.1Å; I232-W240 HydrophobicContact CG1-CG 4.45Å; I232-W240 HydrophobicContact CG2-CB 4.24Å; I232-W240 HydrophobicContact CG2-CG 4.23Å; E236-W240 WeakPolarHBondContact O-CB 3.46Å; E236-W240 PolarHBondContact O-N 2.94Å; I237-W240 PolarHBondContact O-N 3.01Å; W240-N243 PolarHBondContact O-N 3.41Å; W240-F244 HydrophobicContact CE3-CB 4.28Å; W240-F244 HydrophobicContact CH2-CB 4.41Å; W240-F244 HydrophobicContact CH2-CD1 4.28Å; W240-F244 HydrophobicContact CH2-CD2 4.12Å; W240-F244 HydrophobicContact CH2-CE2 4.45Å; W240-F244 HydrophobicContact CH2-CG 4.03Å; W240-F244 HydrophobicContact CZ3-CB 4.03Å; W240-F244 HydrophobicContact CZ3-CD1 4.08Å; W240-F244 AromaticContact CZ3-CG 3.97Å; W240-F244 HydrophobicContact CZ3-CG 3.97Å; W240-F244 WeakPolarHBondContact O-CB 3.24Å; W240-F244 PolarHBondContact O-N 2.92Å
241L91.9Very high89Confident78 Ų7849.7 Ų49.741%0.40826%0.258SS..Hα-helixtrans-65.1-40.9177.6-17565.3000112I237 Y238 T239 F244 L245I237-L241 WeakPolarHBondContact O-CB 3.34Å; I237-L241 PolarHBondContact O-N 3.39Å; Y238-L241 PolarHBondContact O-N 3.17Å; T239-L241 VanDerWaalsContact C-N 3.33Å; T239-L241 PolarHBondContact O-N 3.35Å; L241-F244 PolarHBondContact O-N 3.37Å; L241-L245 HydrophobicContact CD1-CD1 4.45Å; L241-L245 HydrophobicContact CD1-CG 4.31Å; L241-L245 HydrophobicContact CG-CD1 4.09Å; L241-L245 HydrophobicContact CG-CG 4.37Å; L241-L245 VanDerWaalsContact O-CG 3.27Å; L241-L245 WeakPolarHBondContact O-CG 3.42Å; L241-L245 PolarHBondContact O-N 3.47Å
242D91.6Very high89.3Confident4 Ų445.5 Ų45.52%0.02123%0.229CC..Hα-helixtrans-60.9-45.9178-157.727.4000111.5Y238 T239 F244 L246 P478 F479 K480 T481Y238-D242 WeakPolarHBondContact O-CB 3.35Å; Y238-D242 PolarHBondContact O-N 3.38Å; T239-D242 PolarHBondContact O-N 2.85Å; D242-F244 VanDerWaalsContact C-N 3.35Å; D242-L246 WeakPolarHBondContact O-CB 3.17Å; D242-L246 PolarHBondContact O-N 3Å; D242-P478 HydrophobicContact CB-CB 3.68Å; D242-P478 VanDerWaalsContact OD2-CA 3.27Å; D242-P478 WeakPolarHBondContact OD2-CA 3.3Å; D242-F479 PolarHBondContact OD2-N 3.23Å; D242-K480 WeakPolarHBondContact OD2-CB 3.47Å; D242-K480 PolarHBondContact OD2-N 3.38Å; D242-T481 WeakPolarHBondContact OD1-CB 3.39Å; D242-T481 PolarHBondContact OD1-N 2.91Å; D242-T481 PolarHBondContact OD1-OG1 3.26Å
243N89Confident89.6Confident20 Ų2042.8 Ų42.811%0.10722%0.216CC..Hα-helixtrans-62.2-42.6174.4-66.4-12.5000111.5T239 W240 L246 L247 Y407T239-N243 WeakPolarHBondContact O-CB 3.46Å; T239-N243 PolarHBondContact O-N 2.87Å; T239-N243 PolarHBondContact O-ND2 3.01Å; T239-N243 PolarHBondContact O-OD1 3.48Å; W240-N243 PolarHBondContact O-N 3.41Å; N243-L246 WeakPolarHBondContact O-CB 3.22Å; N243-L246 PolarHBondContact O-N 2.7Å; N243-L247 WeakPolarHBondContact O-CG 3.45Å; N243-L247 PolarHBondContact O-N 3.27Å; N243-Y407 HydrophobicContact CB-CE2 3.96Å; N243-Y407 WeakPolarHBondContact OD1-CE2 3.25Å; N243-Y407 VanDerWaalsContact OD1-CZ 3.23Å; N243-Y407 PolarHBondContact OD1-OH 2.71Å
244F91.6Very high89.8Confident35 Ų3539.2 Ų39.215%0.15420%0.196CC..Hα-helixtrans-65.4-43.9-178.3-170.5-117.7000111.7Q86 I89 L93 W240 L241 D242 L246 L247 I248Q86-F244 HydrophobicContact CB-CD2 4.13Å; Q86-F244 HydrophobicContact CG-CD2 4.22Å; Q86-F244 VanDerWaalsContact OE1-CA 3.28Å; I89-F244 HydrophobicContact CB-CE2 4.28Å; I89-F244 HydrophobicContact CG2-CE2 4Å; I89-F244 HydrophobicContact CG2-CZ 3.92Å; L93-F244 HydrophobicContact CD1-CE1 4.32Å; L93-F244 HydrophobicContact CD1-CZ 3.79Å; W240-F244 HydrophobicContact CE3-CB 4.28Å; W240-F244 HydrophobicContact CH2-CB 4.41Å; W240-F244 HydrophobicContact CH2-CD1 4.28Å; W240-F244 HydrophobicContact CH2-CD2 4.12Å; W240-F244 HydrophobicContact CH2-CE2 4.45Å; W240-F244 HydrophobicContact CH2-CG 4.03Å; W240-F244 HydrophobicContact CZ3-CB 4.03Å; W240-F244 HydrophobicContact CZ3-CD1 4.08Å; W240-F244 AromaticContact CZ3-CG 3.97Å; W240-F244 HydrophobicContact CZ3-CG 3.97Å; W240-F244 WeakPolarHBondContact O-CB 3.24Å; W240-F244 PolarHBondContact O-N 2.92Å; L241-F244 PolarHBondContact O-N 3.37Å; D242-F244 VanDerWaalsContact C-N 3.35Å; F244-L246 VanDerWaalsContact C-N 3.34Å; F244-L247 PolarHBondContact O-N 3.19Å; F244-I248 HydrophobicContact CD1-CD1 3.74Å; F244-I248 HydrophobicContact CE1-CD1 3.48Å; F244-I248 VanDerWaalsContact CE1-CD1 3.48Å; F244-I248 HydrophobicContact CE2-CD1 4.37Å; F244-I248 HydrophobicContact CG-CD1 4.31Å; F244-I248 HydrophobicContact CZ-CD1 3.82Å; F244-I248 VanDerWaalsContact O-CG1 3.32Å; F244-I248 WeakPolarHBondContact O-CG1 3.08Å; F244-I248 PolarHBondContact O-N 3.14Å
245L93.9Very high90Very high42 Ų4235 Ų3522%0.2217%0.166CC..Hα-helixtrans-65-38.9175.4-66.2172.5000111.8L241 I248 F249 T481L241-L245 HydrophobicContact CD1-CD1 4.45Å; L241-L245 HydrophobicContact CD1-CG 4.31Å; L241-L245 HydrophobicContact CG-CD1 4.09Å; L241-L245 HydrophobicContact CG-CG 4.37Å; L241-L245 VanDerWaalsContact O-CG 3.27Å; L241-L245 WeakPolarHBondContact O-CG 3.42Å; L241-L245 PolarHBondContact O-N 3.47Å; L245-I248 PolarHBondContact O-N 3.33Å; L245-F249 HydrophobicContact CB-CD2 4.27Å; L245-F249 HydrophobicContact CD2-CD2 4.3Å; L245-F249 HydrophobicContact CD2-CE2 3.76Å; L245-F249 WeakPolarHBondContact O-CB 3.24Å; L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 3.36Å; L245-T481 HydrophobicContact CD1-CG2 4.05Å
246L92.1Very high90.2Very high0 Ų030.5 Ų30.50%014%0.143CC..Hα-helixtrans-61-42.8174.4174.2150.3000111.9D242 N243 F244 G250 Y407 D411 Y414 K480D242-L246 WeakPolarHBondContact O-CB 3.17Å; D242-L246 PolarHBondContact O-N 3Å; N243-L246 WeakPolarHBondContact O-CB 3.22Å; N243-L246 PolarHBondContact O-N 2.7Å; F244-L246 VanDerWaalsContact C-N 3.34Å; L246-G250 WeakPolarHBondContact O-CA 3.44Å; L246-G250 PolarHBondContact O-N 3.01Å; L246-Y407 HydrophobicContact CD1-CE1 3.61Å; L246-Y407 WeakPolarHBondContact CD1-OH 3.24Å; L246-Y407 HydrophobicContact CD2-CE1 4.21Å; L246-Y407 HydrophobicContact CD2-CE2 4.06Å; L246-D411 HydrophobicContact CD1-CB 3.9Å; L246-Y414 HydrophobicContact CB-CD1 3.65Å; L246-Y414 HydrophobicContact CB-CE1 3.97Å; L246-Y414 HydrophobicContact CB-CG 4.11Å; L246-Y414 HydrophobicContact CD1-CD1 3.95Å; L246-Y414 HydrophobicContact CG-CD1 3.89Å; L246-Y414 HydrophobicContact CG-CG 4.14Å; L246-K480 HydrophobicContact CD1-CD 3.78Å
247L90.1Very high90.4Very high7 Ų728 Ų284%0.03713%0.131CC..Hα-helixtrans-65.9-42.3177.5-67.5171.1000111.7Q86 Y91 N243 F244 G251 W406Q86-L247 HydrophobicContact CB-CD1 3.64Å; Y91-L247 HydrophobicContact CE2-CD2 3.71Å; Y91-L247 VanDerWaalsContact OH-CD2 3.31Å; Y91-L247 WeakPolarHBondContact OH-CD2 3.41Å; N243-L247 WeakPolarHBondContact O-CG 3.45Å; N243-L247 PolarHBondContact O-N 3.27Å; F244-L247 PolarHBondContact O-N 3.19Å; L247-G251 PolarHBondContact O-N 2.86Å; L247-W406 HydrophobicContact CD2-CH2 4.19Å; L247-W406 HydrophobicContact CD2-CZ2 4.36Å
248I92.6Very high90.4Very high15 Ų1524.1 Ų24.18%0.07711%0.111CC..Hα-helixtrans-66.3-54.8179.2-65.2168.5000110.8L93 S94 F244 L245L93-I248 HydrophobicContact CB-CD1 4.28Å; L93-I248 HydrophobicContact CB-CG1 4.03Å; L93-I248 HydrophobicContact CB-CG2 4.37Å; L93-I248 HydrophobicContact CD1-CD1 3.83Å; L93-I248 HydrophobicContact CD1-CG1 4.35Å; S94-I248 WeakPolarHBondContact CA-O 3.22Å; S94-I248 WeakPolarHBondContact CB-O 3.4Å; S94-I248 PolarHBondContact OG-O 3.26Å; F244-I248 HydrophobicContact CD1-CD1 3.74Å; F244-I248 HydrophobicContact CE1-CD1 3.48Å; F244-I248 VanDerWaalsContact CE1-CD1 3.48Å; F244-I248 HydrophobicContact CE2-CD1 4.37Å; F244-I248 HydrophobicContact CG-CD1 4.31Å; F244-I248 HydrophobicContact CZ-CD1 3.82Å; F244-I248 VanDerWaalsContact O-CG1 3.32Å; F244-I248 WeakPolarHBondContact O-CG1 3.08Å; F244-I248 PolarHBondContact O-N 3.14Å; L245-I248 PolarHBondContact O-N 3.33Å
249F94.2Very high90.2Very high57 Ų5717.3 Ų17.325%0.259%0.085CC..Hα-helixtrans-89.2-28-169.7-66.4-53.8000113.4L245 G251 I252 P253 Y414 F418L245-F249 HydrophobicContact CB-CD2 4.27Å; L245-F249 HydrophobicContact CD2-CD2 4.3Å; L245-F249 HydrophobicContact CD2-CE2 3.76Å; L245-F249 WeakPolarHBondContact O-CB 3.24Å; L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 3.36Å; F249-G251 VanDerWaalsContact C-N 3.31Å; F249-I252 HydrophobicContact CD1-CD1 3.91Å; F249-I252 PolarHBondContact O-N 3.13Å; F249-P253 WeakPolarHBondContact O-CD 3.02Å; F249-Y414 HydrophobicContact CB-CD2 3.63Å; F249-Y414 HydrophobicContact CB-CE2 3.53Å; F249-Y414 HydrophobicContact CD2-CE2 4.01Å; F249-Y414 HydrophobicContact CG-CE2 4.24Å; F249-F418 HydrophobicContact CB-CD1 3.8Å; F249-F418 HydrophobicContact CB-CD2 4.22Å; F249-F418 HydrophobicContact CB-CE1 3.62Å; F249-F418 HydrophobicContact CB-CE2 4.07Å; F249-F418 HydrophobicContact CB-CG 4.09Å; F249-F418 HydrophobicContact CB-CZ 3.77Å; F249-F418 AromaticContact CD1-CE1 3.81Å; F249-F418 HydrophobicContact CD1-CE1 3.81Å; F249-F418 AromaticContact CD1-CE2 3.86Å; F249-F418 HydrophobicContact CD1-CE2 3.86Å; F249-F418 AromaticContact CD1-CZ 3.27Å; F249-F418 HydrophobicContact CD1-CZ 3.27Å; F249-F418 HydrophobicContact CD2-CE1 4.38Å; F249-F418 AromaticContact CE1-CZ 4Å; F249-F418 HydrophobicContact CE1-CZ 4Å; F249-F418 HydrophobicContact CG-CD1 4.37Å; F249-F418 AromaticContact CG-CE1 3.7Å; F249-F418 HydrophobicContact CG-CE1 3.7Å; F249-F418 HydrophobicContact CG-CE2 4.32Å; F249-F418 AromaticContact CG-CZ 3.66Å; F249-F418 HydrophobicContact CG-CZ 3.66Å; F249-F418 VanDerWaalsContact O-CD2 3.3Å; F249-F418 WeakPolarHBondContact O-CD2 2.92Å
250G90.3Very high90.1Very high0 Ų016.3 Ų16.30%08%0.078CC..Hα-helixtrans-68.3-30.1170.500000112.6L246 I252 P253 I413L246-G250 WeakPolarHBondContact O-CA 3.44Å; L246-G250 PolarHBondContact O-N 3.01Å; G250-I252 VanDerWaalsContact C-N 3.32Å; G250-I252 PolarHBondContact O-N 2.93Å; G250-P253 WeakPolarHBondContact O-CD 3.13Å; G250-I413 WeakPolarHBondContact O-CG2 3.19Å
251G88.2Confident89.9Confident0 Ų013.8 Ų13.80%07%0.068CC..SBendtrans-71.3-21.4175.900000114.9W62 S94 L247 F249 W254W62-G251 WeakPolarHBondContact CH2-O 3.16Å; W62-G251 VanDerWaalsContact CZ2-O 3.3Å; W62-G251 WeakPolarHBondContact CZ2-O 3.4Å; S94-G251 VanDerWaalsContact OG-CA 3.27Å; S94-G251 WeakPolarHBondContact OG-CA 3.25Å; L247-G251 PolarHBondContact O-N 2.86Å; F249-G251 VanDerWaalsContact C-N 3.31Å; G251-W254 WeakPolarHBondContact O-CB 3.33Å
252I92.5Very high89.6Confident0 Ų010.1 Ų10.10%05%0.049CC..THydrogen-bonded Turntrans-67.8-56.6-177.4-65.2170.2000112S94 V97 F102 F249 G250 W254 Y257 F258 F418 L421S94-I252 PolarHBondContact OG-N 3.47Å; S94-I252 VanDerWaalsContact OG-N 3.11Å; V97-I252 HydrophobicContact CB-CD1 4.09Å; V97-I252 HydrophobicContact CG1-CD1 3.62Å; F102-I252 HydrophobicContact CB-CG2 4.39Å; F102-I252 HydrophobicContact CD1-CG2 4.04Å; F102-I252 HydrophobicContact CD2-CD1 4.49Å; F102-I252 HydrophobicContact CD2-CG2 3.68Å; F102-I252 HydrophobicContact CE1-CG2 4.19Å; F102-I252 HydrophobicContact CE2-CD1 3.99Å; F102-I252 HydrophobicContact CE2-CG2 3.85Å; F102-I252 HydrophobicContact CG-CG2 3.78Å; F102-I252 HydrophobicContact CZ-CG2 4.09Å; F249-I252 HydrophobicContact CD1-CD1 3.91Å; F249-I252 PolarHBondContact O-N 3.13Å; G250-I252 VanDerWaalsContact C-N 3.32Å; G250-I252 PolarHBondContact O-N 2.93Å; I252-W254 PolarHBondContact O-N 3.49Å; I252-Y257 WeakPolarHBondContact O-CD1 3.45Å; I252-F258 WeakPolarHBondContact O-CE2 3.24Å; I252-F418 HydrophobicContact CB-CD2 4.42Å; I252-F418 HydrophobicContact CB-CE2 4.46Å; I252-F418 HydrophobicContact CD1-CE2 3.86Å; I252-L421 HydrophobicContact CG2-CD2 4.11Å
253P92.5Very high89Confident6 Ų610.1 Ų10.14%0.0395%0.049CC..THydrogen-bonded Turntrans-71.218.3-178.232.2-41.1000115.1M114 F249 G250 I413 I417 F418 L421M114-P253 HydrophobicContact CE-CB 3.41Å; M114-P253 VanDerWaalsContact CE-CB 3.41Å; F249-P253 WeakPolarHBondContact O-CD 3.02Å; G250-P253 WeakPolarHBondContact O-CD 3.13Å; P253-I413 HydrophobicContact CB-CG2 4.18Å; P253-I413 HydrophobicContact CG-CG2 3.27Å; P253-I417 HydrophobicContact CB-CB 4.14Å; P253-I417 HydrophobicContact CB-CG2 3.51Å; P253-I417 HydrophobicContact CG-CB 4.38Å; P253-I417 HydrophobicContact CG-CG2 4.28Å; P253-F418 HydrophobicContact CG-CB 4.01Å; P253-L421 HydrophobicContact CB-CD2 4.15Å
254W89.2Confident88.6Confident6 Ų69.2 Ų9.22%0.0234%0.044CC..  trans-74.6129.9-178-145.9-78.9000111.8W62 E138 W141 G251 I252 Y257 F258 S409 S410 I413W62-W254 HydrophobicContact CH2-CB 3.94Å; W62-W254 HydrophobicContact CH2-CD2 4.2Å; W62-W254 HydrophobicContact CH2-CE3 4.26Å; W62-W254 HydrophobicContact CH2-CG 4.06Å; W62-W254 HydrophobicContact CZ2-CB 4.15Å; E138-W254 VanDerWaalsContact CD-NE1 3.28Å; E138-W254 VanDerWaalsContact OE1-CD1 3.31Å; E138-W254 PolarHBondContact OE1-NE1 3.37Å; E138-W254 VanDerWaalsContact OE1-NE1 3.07Å; E138-W254 PolarHBondContact OE2-NE1 3.49Å; E138-W254 VanDerWaalsContact OE2-NE1 3.11Å; W141-W254 HydrophobicContact CB-CH2 4.36Å; W141-W254 HydrophobicContact CB-CZ2 3.82Å; W141-W254 HydrophobicContact CG-CZ2 4.01Å; G251-W254 WeakPolarHBondContact O-CB 3.33Å; I252-W254 PolarHBondContact O-N 3.49Å; W254-Y257 WeakPolarHBondContact O-CB 3.43Å; W254-Y257 PolarHBondContact O-N 3.28Å; W254-F258 WeakPolarHBondContact O-CD2 3.41Å; W254-F258 PolarHBondContact O-N 3.44Å; W254-S409 WeakPolarHBondContact CH2-OG 3.19Å; W254-S410 WeakPolarHBondContact CZ3-OG 3.41Å; W254-I413 HydrophobicContact CD2-CD1 4.12Å; W254-I413 HydrophobicContact CE3-CD1 3.64Å; W254-I413 HydrophobicContact CE3-CG2 4.49Å; W254-I413 HydrophobicContact CH2-CD1 3.79Å; W254-I413 HydrophobicContact CZ2-CD1 4.23Å; W254-I413 HydrophobicContact CZ3-CD1 3.48Å; W254-I413 VanDerWaalsContact CZ3-CD1 3.48Å
255Q89.1Confident88Confident4 Ų410.5 Ų10.52%0.0196%0.058CC..Hα-helixtrans-67.7-39.8-177.6166.875.9-4.600111.7M114 Y257 F258 Q259 S354 S357 M358M114-Q255 HydrophobicContact CB-CB 4.36Å; Q255-Y257 PolarHBondContact O-N 3.19Å; Q255-F258 CarbonylContact O-C 3.52Å; Q255-F258 PolarHBondContact O-N 3.01Å; Q255-F258 VanDerWaalsContact O-N 3.11Å; Q255-Q259 HydrophobicContact CG-CG 4.29Å; Q255-Q259 WeakPolarHBondContact O-CB 3.19Å; Q255-Q259 PolarHBondContact O-N 2.83Å; Q255-S354 WeakPolarHBondContact CB-OG 3.28Å; Q255-S354 WeakPolarHBondContact CG-OG 3.36Å; Q255-S357 PolarHBondContact NE2-OG 3.36Å; Q255-M358 HydrophobicContact CB-CE 3.83Å; Q255-M358 HydrophobicContact CB-CG 4.24Å; Q255-M358 HydrophobicContact CB-SD 3.56Å; Q255-M358 VanDerWaalsContact CB-SD 3.56Å; Q255-M358 HydrophobicContact CG-CE 3.97Å; Q255-M358 HydrophobicContact CG-CG 3.59Å; Q255-M358 HydrophobicContact CG-SD 3.62Å
256A85.4Confident87.6Confident3 Ų310.9 Ų10.93%0.0256%0.064CC..Hα-helixtrans-58.5-33.6175.200000113.3T61 R260 S354T61-A256 HydrophobicContact CG2-CB 3.98Å; A256-R260 PolarHBondContact O-NH1 3.32Å; A256-R260 VanDerWaalsContact O-NH1 3.08Å; A256-S354 PolarHBondContact N-OG 3.13Å
257Y89.4Confident87.4Confident3 Ų311.9 Ų11.91%0.0127%0.072CC..Hα-helixtrans-68.8-51171.3166.3-113.4000111.1M58 L95 G98 G99 I252 W254 Q255 Q259 R260 V261 S274M58-Y257 HydrophobicContact CE-CE2 4.3Å; M58-Y257 HydrophobicContact SD-CD2 4.36Å; M58-Y257 HydrophobicContact SD-CE2 4.04Å; L95-Y257 HydrophobicContact CD2-CD2 3.56Å; L95-Y257 HydrophobicContact CD2-CE2 3.53Å; G98-Y257 PolarHBondContact O-OH 3Å; G99-Y257 PolarHBondContact N-OH 3.41Å; I252-Y257 WeakPolarHBondContact O-CD1 3.45Å; W254-Y257 WeakPolarHBondContact O-CB 3.43Å; W254-Y257 PolarHBondContact O-N 3.28Å; Q255-Y257 PolarHBondContact O-N 3.19Å; Y257-Q259 VanDerWaalsContact C-N 3.34Å; Y257-Q259 PolarHBondContact O-N 2.85Å; Y257-R260 PolarHBondContact O-N 3.42Å; Y257-R260 VanDerWaalsContact O-N 3.15Å; Y257-V261 HydrophobicContact CD1-CG2 4.47Å; Y257-V261 HydrophobicContact CD2-CG2 4.15Å; Y257-V261 HydrophobicContact CE1-CG2 3.97Å; Y257-V261 HydrophobicContact CE2-CG2 3.59Å; Y257-V261 VanDerWaalsContact CZ-CG2 3.49Å; Y257-V261 PolarHBondContact O-N 2.78Å; Y257-V261 VanDerWaalsContact O-N 3.14Å; Y257-S274 WeakPolarHBondContact CE2-OG 3.48Å; Y257-S274 PolarHBondContact OH-OG 3.4Å
258F89.3Confident87.3Confident0 Ų016.1 Ų16.10%010%0.099CC..Hα-helixtrans-67.3-30.1-178.7-82.8-64.6000113.9F102 M106 M114 I252 W254 Q255 R260 V261 L262 L421F102-F258 HydrophobicContact CB-CE1 4.18Å; F102-F258 HydrophobicContact CB-CZ 3.8Å; M106-F258 HydrophobicContact CB-CD1 4.1Å; M106-F258 HydrophobicContact CB-CE1 3.88Å; M106-F258 HydrophobicContact CE-CD1 3.95Å; M106-F258 HydrophobicContact CE-CE1 4.16Å; M106-F258 HydrophobicContact CE-CG 4.19Å; M106-F258 HydrophobicContact CG-CD1 4.04Å; M106-F258 HydrophobicContact CG-CE1 3.49Å; M106-F258 VanDerWaalsContact CG-CE1 3.49Å; M106-F258 HydrophobicContact CG-CZ 4.05Å; M114-F258 HydrophobicContact CB-CB 4.23Å; M114-F258 HydrophobicContact CB-CD2 4.22Å; M114-F258 HydrophobicContact CE-CD2 4.06Å; M114-F258 HydrophobicContact CE-CE2 3.72Å; M114-F258 HydrophobicContact CG-CD2 3.9Å; M114-F258 HydrophobicContact CG-CE2 4.46Å; M114-F258 HydrophobicContact SD-CD2 3.21Å; M114-F258 WeakPolarHBondContact SD-CD2 3.27Å; M114-F258 HydrophobicContact SD-CE2 3.33Å; M114-F258 WeakPolarHBondContact SD-CE2 3.37Å; M114-F258 HydrophobicContact SD-CG 3.94Å; M114-F258 HydrophobicContact SD-CZ 4.17Å; I252-F258 WeakPolarHBondContact O-CE2 3.24Å; W254-F258 WeakPolarHBondContact O-CD2 3.41Å; W254-F258 PolarHBondContact O-N 3.44Å; Q255-F258 CarbonylContact O-C 3.52Å; Q255-F258 PolarHBondContact O-N 3.01Å; Q255-F258 VanDerWaalsContact O-N 3.11Å; F258-R260 PolarHBondContact O-N 3.34Å; F258-V261 HydrophobicContact CD1-CB 4.17Å; F258-V261 HydrophobicContact CD1-CG1 4.09Å; F258-V261 HydrophobicContact CD1-CG2 4.48Å; F258-V261 HydrophobicContact CE1-CG1 4.44Å; F258-V261 PolarHBondContact O-N 3.28Å; F258-L262 HydrophobicContact CB-CD1 4.4Å; F258-L262 WeakPolarHBondContact O-CB 3.07Å; F258-L262 WeakPolarHBondContact O-CG 3.42Å; F258-L262 PolarHBondContact O-N 2.95Å; F258-L421 HydrophobicContact CE2-CD2 4.4Å
259Q84.7Confident87.1Confident2 Ų217.7 Ų17.71%0.00910%0.104CC..Hα-helixtrans-54.2-42.8171.8-87.3-179.5-29.400111.1Q255 Y257 S263 S357Q255-Q259 HydrophobicContact CG-CG 4.29Å; Q255-Q259 WeakPolarHBondContact O-CB 3.19Å; Q255-Q259 PolarHBondContact O-N 2.83Å; Y257-Q259 VanDerWaalsContact C-N 3.34Å; Y257-Q259 PolarHBondContact O-N 2.85Å; Q259-S263 VanDerWaalsContact O-CB 3.27Å; Q259-S263 WeakPolarHBondContact O-CB 3.29Å; Q259-S263 PolarHBondContact O-N 3.43Å; Q259-S263 PolarHBondContact O-OG 3.19Å; Q259-S357 PolarHBondContact NE2-OG 2.91Å
260R85.3Confident86.8Confident7 Ų715 Ų153%0.0269%0.092CC..Hα-helixtrans-73.4-42.6178.9-67.9-175.5176.587.5-10.6112.9T57 M58 T61 D188 A256 Y257 F258 L262 S263 S264 S350T57-R260 HydrophobicContact CG2-CG 4.4Å; T57-R260 PolarHBondContact O-NE 2.88Å; T57-R260 PolarHBondContact O-NH2 3.48Å; T57-R260 VanDerWaalsContact O-NH2 3.14Å; T57-R260 PolarHBondContact OG1-NE 3.4Å; T57-R260 PolarHBondContact OG1-NH2 2.92Å; T57-R260 VanDerWaalsContact OG1-NH2 3.13Å; M58-R260 HydrophobicContact CE-CB 3.6Å; T61-R260 PolarHBondContact OG1-NH1 3.29Å; T61-R260 PolarHBondContact OG1-NH2 2.81Å; D188-R260 IonicContact OD2-CZ 3.78Å; D188-R260 IonicContact OD2-NH2 3.08Å; D188-R260 PolarHBondContact OD2-NH2 3.14Å; A256-R260 PolarHBondContact O-NH1 3.32Å; A256-R260 VanDerWaalsContact O-NH1 3.08Å; Y257-R260 PolarHBondContact O-N 3.42Å; Y257-R260 VanDerWaalsContact O-N 3.15Å; F258-R260 PolarHBondContact O-N 3.34Å; R260-L262 VanDerWaalsContact C-N 3.29Å; R260-L262 PolarHBondContact O-N 3.47Å; R260-S263 VanDerWaalsContact CA-OG 3.32Å; R260-S263 WeakPolarHBondContact CA-OG 3.18Å; R260-S263 PolarHBondContact O-N 3.44Å; R260-S263 PolarHBondContact O-OG 3.39Å; R260-S264 PolarHBondContact O-N 3.38Å; R260-S264 PolarHBondContact O-OG 3.22Å; R260-S350 PolarHBondContact NH2-OG 2.85Å
261V85.3Confident86.9Confident0 Ų016.7 Ų16.70%010%0.1CC..Hα-helixtrans-56.6-44.8172.4166.40000111.1M58 A103 Y257 F258 S264 A270M58-V261 HydrophobicContact CE-CG2 3.89Å; A103-V261 HydrophobicContact CB-CG1 3.84Å; A103-V261 HydrophobicContact CB-CG2 4.3Å; Y257-V261 HydrophobicContact CD1-CG2 4.47Å; Y257-V261 HydrophobicContact CD2-CG2 4.15Å; Y257-V261 HydrophobicContact CE1-CG2 3.97Å; Y257-V261 HydrophobicContact CE2-CG2 3.59Å; Y257-V261 VanDerWaalsContact CZ-CG2 3.49Å; Y257-V261 PolarHBondContact O-N 2.78Å; Y257-V261 VanDerWaalsContact O-N 3.14Å; F258-V261 HydrophobicContact CD1-CB 4.17Å; F258-V261 HydrophobicContact CD1-CG1 4.09Å; F258-V261 HydrophobicContact CD1-CG2 4.48Å; F258-V261 HydrophobicContact CE1-CG1 4.44Å; F258-V261 PolarHBondContact O-N 3.28Å; V261-S264 WeakPolarHBondContact O-CB 3.47Å; V261-S264 PolarHBondContact O-N 2.66Å; V261-S264 PolarHBondContact O-OG 3.27Å; V261-A270 HydrophobicContact CB-CB 4.45Å; V261-A270 HydrophobicContact CG1-CB 3.94Å
262L85.1Confident87.1Confident1 Ų119.9 Ų19.91%0.00512%0.119CC..Hα-helixtrans-75.6-26.2-177.4-63.9174.6000112.3V44 M106 R107 Y111 F258 R260 S264V44-L262 WeakPolarHBondContact CG1-O 3.38Å; M106-L262 HydrophobicContact CB-CD2 4.17Å; M106-L262 WeakPolarHBondContact O-CD2 3.19Å; R107-L262 PolarHBondContact NE-O 3.05Å; Y111-L262 WeakPolarHBondContact O-CD2 3.46Å; F258-L262 HydrophobicContact CB-CD1 4.4Å; F258-L262 WeakPolarHBondContact O-CB 3.07Å; F258-L262 WeakPolarHBondContact O-CG 3.42Å; F258-L262 PolarHBondContact O-N 2.95Å; R260-L262 VanDerWaalsContact C-N 3.29Å; R260-L262 PolarHBondContact O-N 3.47Å; L262-S264 PolarHBondContact O-N 2.88Å
263S79.3Confident87Confident4 Ų420 Ų203%0.02812%0.12CC..THydrogen-bonded Turntrans-74.9-6.4170.875.20000114.9V44 R47 Q259 R260V44-S263 VanDerWaalsContact CG1-CA 3.44Å; V44-S263 WeakPolarHBondContact O-CB 3.17Å; R47-S263 CarbonylContact C-O 3.43Å; R47-S263 VanDerWaalsContact CA-O 3.26Å; R47-S263 WeakPolarHBondContact CA-O 3.43Å; Q259-S263 VanDerWaalsContact O-CB 3.27Å; Q259-S263 WeakPolarHBondContact O-CB 3.29Å; Q259-S263 PolarHBondContact O-N 3.43Å; Q259-S263 PolarHBondContact O-OG 3.19Å; R260-S263 VanDerWaalsContact CA-OG 3.32Å; R260-S263 WeakPolarHBondContact CA-OG 3.18Å; R260-S263 PolarHBondContact O-N 3.44Å; R260-S263 PolarHBondContact O-OG 3.39Å
264S80.8Confident87Confident1 Ų119.7 Ų19.71%0.00712%0.118CC..SBendtrans-70.7148.8178.1-63.60000111.6R107 R260 V261 L262 S266 A270 L273R107-S264 VanDerWaalsContact CZ-O 3.22Å; R107-S264 PolarHBondContact NE-O 2.81Å; R107-S264 PolarHBondContact NH2-O 3.35Å; R260-S264 PolarHBondContact O-N 3.38Å; R260-S264 PolarHBondContact O-OG 3.22Å; V261-S264 WeakPolarHBondContact O-CB 3.47Å; V261-S264 PolarHBondContact O-N 2.66Å; V261-S264 PolarHBondContact O-OG 3.27Å; L262-S264 PolarHBondContact O-N 2.88Å; S264-S266 VanDerWaalsContact C-N 3.33Å; S264-S266 PolarHBondContact O-N 3.33Å; S264-A270 WeakPolarHBondContact OG-CA 3.47Å; S264-L273 WeakPolarHBondContact OG-CD1 3.37Å
265S79.3Confident87.2Confident63 Ų6323 Ų2344%0.44113%0.133SC..SBendtrans-67.9-31.217859.20000113.1R47 R107R47-S265 WeakPolarHBondContact O-CA 3.29Å; R107-S265 PolarHBondContact NH2-O 3.48Å
266S86.1Confident87.4Confident50 Ų5026.5 Ų26.535%0.3515%0.151SC..SBendtrans-143.1163.717874.90000113.1S264 Y269 A270S264-S266 VanDerWaalsContact C-N 3.33Å; S264-S266 PolarHBondContact O-N 3.33Å; S266-Y269 WeakPolarHBondContact O-CB 2.98Å; S266-Y269 PolarHBondContact O-N 2.98Å; S266-Y269 VanDerWaalsContact OG-CB 3.25Å; S266-Y269 WeakPolarHBondContact OG-CB 3.47Å; S266-Y269 PolarHBondContact OG-N 3.49Å; S266-A270 PolarHBondContact O-N 3.02Å
267A87.4Confident87.7Confident21 Ų2126.4 Ų26.417%0.17415%0.15CC..Hα-helixtrans-62.9-45.3177.200000112.3K104 R107 Y269 A270 Q271K104-A267 HydrophobicContact CB-CB 4.46Å; K104-A267 HydrophobicContact CG-CB 4.1Å; R107-A267 HydrophobicContact CB-CB 4.35Å; R107-A267 HydrophobicContact CG-CB 4.38Å; A267-Y269 VanDerWaalsContact C-N 3.26Å; A267-Y269 PolarHBondContact O-N 3.16Å; A267-A270 WeakPolarHBondContact O-CB 3.38Å; A267-A270 PolarHBondContact O-N 3.29Å; A267-Q271 WeakPolarHBondContact O-CG 3.5Å; A267-Q271 PolarHBondContact O-N 3.21Å
268T88.3Confident87.9Confident96 Ų9626.4 Ų26.459%0.58915%0.151SC*.Hα-helixtrans-59.6-41.7176.9-50.80000111.1A270 Q271 V272T268-A270 VanDerWaalsContact C-N 3.35Å; T268-A270 PolarHBondContact O-N 3.18Å; T268-Q271 WeakPolarHBondContact O-CB 3.34Å; T268-Q271 PolarHBondContact O-N 3.04Å; T268-V272 WeakPolarHBondContact O-CG2 3.5Å; T268-V272 PolarHBondContact O-N 3.01Å; T268-V272 VanDerWaalsContact O-N 3.08Å
269Y87.9Confident88.1Confident47 Ų4732.9 Ų32.918%0.18418%0.179CC..Hα-helixtrans-62.4-42.8177.8-164.9-106.2000112.6I49 G50 L51 S266 A267 Q271 V272 L273I49-Y269 WeakPolarHBondContact O-CE1 3.35Å; I49-Y269 PolarHBondContact O-OH 3.16Å; G50-Y269 WeakPolarHBondContact CA-OH 3.29Å; L51-Y269 VanDerWaalsContact CA-CZ 3.49Å; L51-Y269 WeakPolarHBondContact CA-OH 3.45Å; L51-Y269 HydrophobicContact CB-CE2 3.74Å; L51-Y269 VanDerWaalsContact CB-OH 3.24Å; L51-Y269 WeakPolarHBondContact CB-OH 3.26Å; L51-Y269 HydrophobicContact CD1-CD2 3.84Å; L51-Y269 HydrophobicContact CD1-CE1 4.29Å; L51-Y269 HydrophobicContact CD1-CE2 3.29Å; L51-Y269 HydrophobicContact CG-CE2 4.02Å; L51-Y269 PolarHBondContact N-OH 3.46Å; S266-Y269 WeakPolarHBondContact O-CB 2.98Å; S266-Y269 PolarHBondContact O-N 2.98Å; S266-Y269 VanDerWaalsContact OG-CB 3.25Å; S266-Y269 WeakPolarHBondContact OG-CB 3.47Å; S266-Y269 PolarHBondContact OG-N 3.49Å; A267-Y269 VanDerWaalsContact C-N 3.26Å; A267-Y269 PolarHBondContact O-N 3.16Å; Y269-Q271 PolarHBondContact O-N 2.91Å; Y269-V272 PolarHBondContact O-N 2.82Å; Y269-V272 VanDerWaalsContact O-N 3.15Å; Y269-L273 HydrophobicContact CD1-CD1 3.79Å; Y269-L273 HydrophobicContact CD1-CG 3.99Å; Y269-L273 HydrophobicContact CE1-CD1 3.81Å; Y269-L273 HydrophobicContact CE1-CD2 4.31Å; Y269-L273 HydrophobicContact CE1-CG 4.09Å; Y269-L273 WeakPolarHBondContact O-CG 2.99Å; Y269-L273 PolarHBondContact O-N 2.9Å
270A87.8Confident88.4Confident0 Ų033.5 Ų33.50%019%0.186CC..Hα-helixtrans-58-37.7175.400000112.1A103 V261 S264 S266 A267 T268 S274A103-A270 HydrophobicContact CB-CB 4.24Å; V261-A270 HydrophobicContact CB-CB 4.45Å; V261-A270 HydrophobicContact CG1-CB 3.94Å; S264-A270 WeakPolarHBondContact OG-CA 3.47Å; S266-A270 PolarHBondContact O-N 3.02Å; A267-A270 WeakPolarHBondContact O-CB 3.38Å; A267-A270 PolarHBondContact O-N 3.29Å; T268-A270 VanDerWaalsContact C-N 3.35Å; T268-A270 PolarHBondContact O-N 3.18Å; A270-S274 PolarHBondContact O-N 3.23Å; A270-S274 VanDerWaalsContact O-N 3.14Å; A270-S274 PolarHBondContact O-OG 3.48Å; A270-S274 VanDerWaalsContact O-OG 3.04Å
271Q92.9Very high88.6Confident37 Ų3733.1 Ų33.117%0.17319%0.185CC..Hα-helixtrans-67-44.6175.6-51.9-170.5-84.900111.9G99 L100 A103 A267 T268 Y269 L273 S274 F275G99-Q271 VanDerWaalsContact O-CG 3.28Å; G99-Q271 WeakPolarHBondContact O-CG 3.17Å; G99-Q271 PolarHBondContact O-NE2 3.36Å; L100-Q271 PolarHBondContact O-NE2 2.98Å; A103-Q271 HydrophobicContact CB-CG 4.24Å; A267-Q271 WeakPolarHBondContact O-CG 3.5Å; A267-Q271 PolarHBondContact O-N 3.21Å; T268-Q271 WeakPolarHBondContact O-CB 3.34Å; T268-Q271 PolarHBondContact O-N 3.04Å; Y269-Q271 PolarHBondContact O-N 2.91Å; Q271-L273 VanDerWaalsContact C-N 3.31Å; Q271-L273 PolarHBondContact O-N 2.98Å; Q271-S274 WeakPolarHBondContact O-CB 3.39Å; Q271-S274 PolarHBondContact O-N 3.15Å; Q271-F275 HydrophobicContact CB-CE2 4.05Å; Q271-F275 HydrophobicContact CB-CZ 4.44Å; Q271-F275 WeakPolarHBondContact O-CD2 3.21Å; Q271-F275 WeakPolarHBondContact O-CG 3.4Å; Q271-F275 PolarHBondContact O-N 3.38Å
272V91.6Very high89Confident66 Ų6636.6 Ų36.640%0.420%0.203SC..Hα-helixtrans-61-42.3178.1174.50000110.8L51 T268 Y269 S274 F275 L276L51-V272 HydrophobicContact CD1-CG1 4.05Å; T268-V272 WeakPolarHBondContact O-CG2 3.5Å; T268-V272 PolarHBondContact O-N 3.01Å; T268-V272 VanDerWaalsContact O-N 3.08Å; Y269-V272 PolarHBondContact O-N 2.82Å; Y269-V272 VanDerWaalsContact O-N 3.15Å; V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.37Å; V272-F275 PolarHBondContact O-N 3.32Å; V272-L276 WeakPolarHBondContact O-CB 3.46Å; V272-L276 PolarHBondContact O-N 3.46Å
273L90.3Very high89.4Confident3 Ų338.3 Ų38.32%0.01621%0.213CC..Hα-helixtrans-58.8-44.6174.5-71.1-175.2000111.7L51 G54 G55 M58 S264 Y269 Q271 F275 L276 A277L51-L273 HydrophobicContact CD1-CD2 3.68Å; L51-L273 HydrophobicContact CD1-CG 4.39Å; L51-L273 WeakPolarHBondContact O-CD2 3.39Å; G54-L273 VanDerWaalsContact C-CD2 3.48Å; G55-L273 VanDerWaalsContact N-CD2 3.31Å; M58-L273 HydrophobicContact CE-CB 3.81Å; M58-L273 HydrophobicContact CE-CD1 4.44Å; M58-L273 HydrophobicContact SD-CB 3.87Å; S264-L273 WeakPolarHBondContact OG-CD1 3.37Å; Y269-L273 HydrophobicContact CD1-CD1 3.79Å; Y269-L273 HydrophobicContact CD1-CG 3.99Å; Y269-L273 HydrophobicContact CE1-CD1 3.81Å; Y269-L273 HydrophobicContact CE1-CD2 4.31Å; Y269-L273 HydrophobicContact CE1-CG 4.09Å; Y269-L273 WeakPolarHBondContact O-CG 2.99Å; Y269-L273 PolarHBondContact O-N 2.9Å; Q271-L273 VanDerWaalsContact C-N 3.31Å; Q271-L273 PolarHBondContact O-N 2.98Å; L273-F275 VanDerWaalsContact C-N 3.35Å; L273-F275 PolarHBondContact O-N 3.23Å; L273-L276 PolarHBondContact O-N 2.9Å; L273-A277 VanDerWaalsContact O-CB 3.28Å; L273-A277 WeakPolarHBondContact O-CB 3.47Å; L273-A277 PolarHBondContact O-N 2.8Å
274S92.9Very high89.9Confident0 Ų038.6 Ų38.60%021%0.214CC..Hα-helixtrans-61.4-41177.3-55.40000112.5M58 L95 Y257 A270 Q271 V272 A277 A278M58-S274 WeakPolarHBondContact SD-CA 3.39Å; M58-S274 PolarHBondContact SD-N 3.23Å; M58-S274 VanDerWaalsContact SD-N 3.4Å; L95-S274 WeakPolarHBondContact O-CB 2.99Å; Y257-S274 WeakPolarHBondContact CE2-OG 3.48Å; Y257-S274 PolarHBondContact OH-OG 3.4Å; A270-S274 PolarHBondContact O-N 3.23Å; A270-S274 VanDerWaalsContact O-N 3.14Å; A270-S274 PolarHBondContact O-OG 3.48Å; A270-S274 VanDerWaalsContact O-OG 3.04Å; Q271-S274 WeakPolarHBondContact O-CB 3.39Å; Q271-S274 PolarHBondContact O-N 3.15Å; V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.37Å; S274-A277 PolarHBondContact O-N 3.25Å; S274-A278 WeakPolarHBondContact O-CB 3.24Å; S274-A278 PolarHBondContact O-N 3.21Å
275F93.8Very high90.4Very high76 Ų7638.6 Ų38.633%0.33321%0.214SC..Hα-helixtrans-70-40.9177.4-58.4-38.7000112.9I96 L100 Q271 V272 L273 A277 A278 F279I96-F275 HydrophobicContact CG1-CD1 4.38Å; I96-F275 HydrophobicContact CG2-CE1 4.3Å; L100-F275 HydrophobicContact CD2-CE1 4.14Å; L100-F275 HydrophobicContact CD2-CZ 3.59Å; L100-F275 HydrophobicContact CG-CE1 3.79Å; L100-F275 HydrophobicContact CG-CZ 3.71Å; Q271-F275 HydrophobicContact CB-CE2 4.05Å; Q271-F275 HydrophobicContact CB-CZ 4.44Å; Q271-F275 WeakPolarHBondContact O-CD2 3.21Å; Q271-F275 WeakPolarHBondContact O-CG 3.4Å; Q271-F275 PolarHBondContact O-N 3.38Å; V272-F275 PolarHBondContact O-N 3.32Å; L273-F275 VanDerWaalsContact C-N 3.35Å; L273-F275 PolarHBondContact O-N 3.23Å; F275-A277 VanDerWaalsContact C-N 3.3Å; F275-A277 PolarHBondContact O-N 3.13Å; F275-A278 PolarHBondContact O-N 3.14Å; F275-F279 PolarHBondContact O-N 3.36Å; F275-F279 VanDerWaalsContact O-N 3.13Å
276L92Very high91.1Very high77 Ų7739.5 Ų39.540%0.40321%0.213SC..Hα-helixtrans-62.3-42.3175.6-17761.5000110.6V272 L273 F279 G280V272-L276 WeakPolarHBondContact O-CB 3.46Å; V272-L276 PolarHBondContact O-N 3.46Å; L273-L276 PolarHBondContact O-N 2.9Å; L276-F279 PolarHBondContact O-N 2.92Å; L276-G280 PolarHBondContact O-N 3.43Å
277A91.6Very high91.5Very high0 Ų037.2 Ų37.20%020%0.197CC..Hα-helixtrans-65.9-39.3176.400000112.6M58 T59 L95 L273 S274 F275 F279 G280 C281M58-A277 HydrophobicContact CB-CB 3.84Å; M58-A277 HydrophobicContact CG-CB 3.55Å; M58-A277 HydrophobicContact SD-CB 3.98Å; T59-A277 WeakPolarHBondContact OG1-CA 3.48Å; L95-A277 HydrophobicContact CD1-CB 3.89Å; L273-A277 VanDerWaalsContact O-CB 3.28Å; L273-A277 WeakPolarHBondContact O-CB 3.47Å; L273-A277 PolarHBondContact O-N 2.8Å; S274-A277 PolarHBondContact O-N 3.25Å; F275-A277 VanDerWaalsContact C-N 3.3Å; F275-A277 PolarHBondContact O-N 3.13Å; A277-F279 VanDerWaalsContact C-N 3.33Å; A277-F279 PolarHBondContact O-N 3.4Å; A277-G280 PolarHBondContact O-N 3.4Å; A277-C281 PolarHBondContact O-N 3.19Å; A277-C281 PolarHBondContact O-SG 3.04Å
278A93.6Very high91.8Very high4 Ų436.2 Ų36.23%0.03319%0.189CC..Hα-helixtrans-59.1-44.5175.500000112S92 L95 I96 S274 F275 L282S92-A278 WeakPolarHBondContact O-CB 3.43Å; S92-A278 PolarHBondContact OG-O 3.4Å; L95-A278 HydrophobicContact CB-CB 3.8Å; L95-A278 HydrophobicContact CD1-CB 4.4Å; I96-A278 HydrophobicContact CD1-CB 4.14Å; I96-A278 HydrophobicContact CG1-CB 3.63Å; S274-A278 WeakPolarHBondContact O-CB 3.24Å; S274-A278 PolarHBondContact O-N 3.21Å; F275-A278 PolarHBondContact O-N 3.14Å; A278-L282 PolarHBondContact O-N 3.09Å
279F93.3Very high92.1Very high136 Ų13632.9 Ų32.960%0.59617%0.168SC*.Hα-helixtrans-65.8-43.7174.3-179.8-101000111.7F275 L276 A277 C281 L282 V283F275-F279 PolarHBondContact O-N 3.36Å; F275-F279 VanDerWaalsContact O-N 3.13Å; L276-F279 PolarHBondContact O-N 2.92Å; A277-F279 VanDerWaalsContact C-N 3.33Å; A277-F279 PolarHBondContact O-N 3.4Å; F279-C281 PolarHBondContact O-N 2.85Å; F279-L282 PolarHBondContact O-N 3.4Å; F279-V283 HydrophobicContact CD1-CG2 4.16Å; F279-V283 HydrophobicContact CE1-CG2 3.68Å; F279-V283 HydrophobicContact CE2-CG2 4.19Å; F279-V283 HydrophobicContact CZ-CG2 3.69Å; F279-V283 WeakPolarHBondContact O-CG2 3.5Å; F279-V283 PolarHBondContact O-N 2.79Å; F279-V283 VanDerWaalsContact O-N 3.13Å
280G91.1Very high92.5Very high14 Ų1432.9 Ų32.914%0.14417%0.17CC..Hα-helixtrans-55.4-47.9176.500000112.5L276 A277 L282 V283 M284L276-G280 PolarHBondContact O-N 3.43Å; A277-G280 PolarHBondContact O-N 3.4Å; G280-L282 PolarHBondContact O-N 3.06Å; G280-V283 PolarHBondContact O-N 3.04Å; G280-M284 WeakPolarHBondContact O-CB 3.48Å; G280-M284 WeakPolarHBondContact O-CG 3.24Å; G280-M284 PolarHBondContact O-N 3.1Å
281C91.2Very high92.9Very high0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-56.8-47.1178.7-700000112V63 Y67 A277 F279 V283 M284 A285V63-C281 HydrophobicContact CG2-CB 4.43Å; Y67-C281 PolarHBondContact OH-O 3.26Å; A277-C281 PolarHBondContact O-N 3.19Å; A277-C281 PolarHBondContact O-SG 3.04Å; F279-C281 PolarHBondContact O-N 2.85Å; C281-V283 PolarHBondContact O-N 3.34Å; C281-M284 PolarHBondContact O-N 3.44Å; C281-A285 WeakPolarHBondContact O-CB 3Å; C281-A285 PolarHBondContact O-N 3Å
282L92.6Very high93Very high73 Ų7331.1 Ų31.138%0.38216%0.162SC..Hα-helixtrans-59.7-46.7177.2-68.3178.3000112.2P88 S92 A278 F279 G280 M284 A285 L286P88-L282 HydrophobicContact CB-CD2 4.45Å; P88-L282 WeakPolarHBondContact O-CD2 3.42Å; S92-L282 WeakPolarHBondContact OG-CD2 3.44Å; S92-L282 WeakPolarHBondContact OG-CG 3.02Å; A278-L282 PolarHBondContact O-N 3.09Å; F279-L282 PolarHBondContact O-N 3.4Å; G280-L282 PolarHBondContact O-N 3.06Å; L282-M284 VanDerWaalsContact C-N 3.3Å; L282-M284 PolarHBondContact O-N 3.32Å; L282-A285 PolarHBondContact O-N 3.03Å; L282-L286 PolarHBondContact O-N 3.47Å
283V93Very high93.3Very high36 Ų3628 Ų2822%0.21814%0.143CC..Hα-helixtrans-62.7-40.1179.8172.80000111.3F196 F279 G280 C281 A285 L286F196-V283 HydrophobicContact CE2-CG1 3.91Å; F279-V283 HydrophobicContact CD1-CG2 4.16Å; F279-V283 HydrophobicContact CE1-CG2 3.68Å; F279-V283 HydrophobicContact CE2-CG2 4.19Å; F279-V283 HydrophobicContact CZ-CG2 3.69Å; F279-V283 WeakPolarHBondContact O-CG2 3.5Å; F279-V283 PolarHBondContact O-N 2.79Å; F279-V283 VanDerWaalsContact O-N 3.13Å; G280-V283 PolarHBondContact O-N 3.04Å; C281-V283 PolarHBondContact O-N 3.34Å; V283-A285 VanDerWaalsContact C-N 3.33Å; V283-L286 PolarHBondContact O-N 3.42Å
284M90Very high93.6Very high11 Ų1127.8 Ų27.85%0.05414%0.142CC..Hα-helixtrans-73.6-22.7180-64.6-61.2-57.700113.3T59 V63 L192 I195 F196 G280 C281 L282 P287T59-M284 HydrophobicContact CG2-CG 4.31Å; V63-M284 HydrophobicContact CG1-CB 3.8Å; V63-M284 HydrophobicContact CG1-CE 4.22Å; V63-M284 HydrophobicContact CG1-CG 4.28Å; V63-M284 HydrophobicContact CG2-CB 3.81Å; V63-M284 HydrophobicContact CG2-CG 4.17Å; L192-M284 HydrophobicContact CD1-CE 3.64Å; L192-M284 HydrophobicContact CD1-CG 4.12Å; L192-M284 HydrophobicContact CD1-SD 4.1Å; L192-M284 HydrophobicContact CG-CE 4.49Å; I195-M284 HydrophobicContact CB-CE 3.73Å; I195-M284 HydrophobicContact CG2-CE 3.4Å; I195-M284 VanDerWaalsContact CG2-CE 3.4Å; F196-M284 HydrophobicContact CB-CE 3.92Å; F196-M284 HydrophobicContact CB-SD 3.81Å; F196-M284 HydrophobicContact CD2-SD 3.6Å; F196-M284 VanDerWaalsContact CD2-SD 3.6Å; F196-M284 HydrophobicContact CG-SD 4.18Å; G280-M284 WeakPolarHBondContact O-CB 3.48Å; G280-M284 WeakPolarHBondContact O-CG 3.24Å; G280-M284 PolarHBondContact O-N 3.1Å; C281-M284 PolarHBondContact O-N 3.44Å; L282-M284 VanDerWaalsContact C-N 3.3Å; L282-M284 PolarHBondContact O-N 3.32Å; M284-P287 WeakPolarHBondContact O-CD 3.17Å
285A91.9Very high93.7Very high1 Ų127.8 Ų27.81%0.00814%0.142CC..Hα-helixtrans-77.6-25.2176.100000113.5Y67 P88 C281 L282 V283 A288 I289Y67-A285 HydrophobicContact CE1-CB 3.86Å; P88-A285 HydrophobicContact CB-CB 3.53Å; P88-A285 HydrophobicContact CG-CB 3.6Å; C281-A285 WeakPolarHBondContact O-CB 3Å; C281-A285 PolarHBondContact O-N 3Å; L282-A285 PolarHBondContact O-N 3.03Å; V283-A285 VanDerWaalsContact C-N 3.33Å; A285-A288 WeakPolarHBondContact O-CB 3.38Å; A285-A288 PolarHBondContact O-N 3.37Å; A285-A288 VanDerWaalsContact O-N 3.08Å; A285-I289 WeakPolarHBondContact O-CG1 3.16Å; A285-I289 PolarHBondContact O-N 2.63Å
286L94.4Very high93.7Very high81 Ų8124.4 Ų24.442%0.42413%0.128SC..Hα-helixtrans-56-48.1-176.1-69.5174000113W200 L282 V283 A288 I289 L290W200-L286 HydrophobicContact CH2-CB 4.23Å; W200-L286 HydrophobicContact CH2-CD1 4.24Å; W200-L286 HydrophobicContact CZ2-CB 3.95Å; W200-L286 HydrophobicContact CZ2-CD1 4.12Å; L282-L286 PolarHBondContact O-N 3.47Å; V283-L286 PolarHBondContact O-N 3.42Å; L286-A288 VanDerWaalsContact C-N 3.29Å; L286-A288 PolarHBondContact O-N 3.35Å; L286-I289 PolarHBondContact O-N 3.27Å; L286-L290 WeakPolarHBondContact O-CG 3.47Å; L286-L290 PolarHBondContact O-N 3.48Å
287P94.5Very high93.9Very high2 Ų220.8 Ų20.81%0.01311%0.109CC..Hα-helixtrans-59.8-37.7175.7-25.735.8000113.6L199 W200 V203 M284 L290 I291L199-P287 HydrophobicContact CB-CB 3.51Å; L199-P287 HydrophobicContact CB-CG 4.14Å; L199-P287 HydrophobicContact CD1-CB 4.41Å; W200-P287 VanDerWaalsContact CD1-CG 3.45Å; W200-P287 HydrophobicContact CD2-CG 3.76Å; W200-P287 VanDerWaalsContact CE2-CG 3.49Å; W200-P287 HydrophobicContact CG-CG 3.75Å; W200-P287 HydrophobicContact CZ2-CG 4.12Å; W200-P287 VanDerWaalsContact NE1-CG 3.26Å; V203-P287 HydrophobicContact CG2-CB 4.01Å; M284-P287 WeakPolarHBondContact O-CD 3.17Å; P287-L290 PolarHBondContact O-N 3.38Å; P287-I291 WeakPolarHBondContact O-CB 3.11Å; P287-I291 WeakPolarHBondContact O-CD1 3.32Å; P287-I291 WeakPolarHBondContact O-CG1 3.48Å; P287-I291 PolarHBondContact O-N 3.23Å
288A93.1Very high94Very high0 Ų020.9 Ų20.90%011%0.11CC..Hα-helixtrans-65.2-42.6178.700000111.7I68 T71 A72 A285 L286 I291 G292I68-A288 HydrophobicContact CB-CB 4.47Å; I68-A288 HydrophobicContact CG2-CB 3.66Å; T71-A288 HydrophobicContact CG2-CB 4.24Å; A72-A288 WeakPolarHBondContact CB-O 3.29Å; A285-A288 WeakPolarHBondContact O-CB 3.38Å; A285-A288 PolarHBondContact O-N 3.37Å; A285-A288 VanDerWaalsContact O-N 3.08Å; L286-A288 VanDerWaalsContact C-N 3.29Å; L286-A288 PolarHBondContact O-N 3.35Å; A288-I291 PolarHBondContact O-N 2.94Å; A288-G292 PolarHBondContact O-N 3.28Å
289I95.3Very high94Very high27 Ų2720.9 Ų20.914%0.13811%0.11CC..Hα-helixtrans-59.6-48.1174-67.7167.3000110.3T71 V75 L82 A285 L286 I291 G292 A293T71-I289 HydrophobicContact CG2-CD1 4.37Å; T71-I289 HydrophobicContact CG2-CG1 3.47Å; T71-I289 VanDerWaalsContact CG2-CG1 3.47Å; V75-I289 HydrophobicContact CG2-CB 4.5Å; V75-I289 HydrophobicContact CG2-CG1 4.42Å; V75-I289 HydrophobicContact CG2-CG2 4.22Å; L82-I289 HydrophobicContact CD1-CD1 3.97Å; L82-I289 HydrophobicContact CD1-CG1 4.18Å; L82-I289 HydrophobicContact CD1-CG2 3.74Å; A285-I289 WeakPolarHBondContact O-CG1 3.16Å; A285-I289 PolarHBondContact O-N 2.63Å; L286-I289 PolarHBondContact O-N 3.27Å; I289-I291 VanDerWaalsContact C-N 3.35Å; I289-I291 PolarHBondContact O-N 2.94Å; I289-G292 PolarHBondContact O-N 3.41Å; I289-A293 WeakPolarHBondContact O-CB 3.49Å; I289-A293 PolarHBondContact O-N 2.98Å
290L96.5Very high94Very high46 Ų4615 Ų1524%0.2418%0.084CC..Hα-helixtrans-63.4-41.2179.6-67.2174.1000111.5V203 I215 L286 P287 A293 I294V203-L290 HydrophobicContact CG1-CB 4.1Å; V203-L290 HydrophobicContact CG1-CD1 3.81Å; V203-L290 HydrophobicContact CG2-CB 4.14Å; V203-L290 HydrophobicContact CG2-CD1 4.45Å; I215-L290 HydrophobicContact CD1-CD2 4.04Å; L286-L290 WeakPolarHBondContact O-CG 3.47Å; L286-L290 PolarHBondContact O-N 3.48Å; P287-L290 PolarHBondContact O-N 3.38Å; L290-A293 PolarHBondContact O-N 2.85Å; L290-I294 WeakPolarHBondContact O-CB 3.3Å; L290-I294 WeakPolarHBondContact O-CD1 3.31Å; L290-I294 WeakPolarHBondContact O-CG1 3.49Å; L290-I294 PolarHBondContact O-N 3.11Å
291I95.8Very high94Very high0 Ų019 Ų190%010%0.102CC..Hα-helixtrans-63.2-43.5176.3-72.2164.9000111.5L199 V203 P287 A288 I289 A293 I294 G295 L320 V323 L324L199-I291 HydrophobicContact CD2-CD1 3.95Å; V203-I291 HydrophobicContact CG2-CD1 4.46Å; V203-I291 HydrophobicContact CG2-CG1 4.12Å; P287-I291 WeakPolarHBondContact O-CB 3.11Å; P287-I291 WeakPolarHBondContact O-CD1 3.32Å; P287-I291 WeakPolarHBondContact O-CG1 3.48Å; P287-I291 PolarHBondContact O-N 3.23Å; A288-I291 PolarHBondContact O-N 2.94Å; I289-I291 VanDerWaalsContact C-N 3.35Å; I289-I291 PolarHBondContact O-N 2.94Å; I291-A293 VanDerWaalsContact C-N 3.34Å; I291-A293 PolarHBondContact O-N 3.35Å; I291-I294 PolarHBondContact O-N 3.43Å; I291-G295 PolarHBondContact O-N 2.81Å; I291-L320 HydrophobicContact CD1-CG 4.44Å; I291-L320 HydrophobicContact CG2-CB 4.27Å; I291-L320 HydrophobicContact CG2-CG 4.01Å; I291-V323 HydrophobicContact CG2-CB 3.82Å; I291-V323 HydrophobicContact CG2-CG1 3.75Å; I291-V323 HydrophobicContact CG2-CG2 4.23Å; I291-L324 HydrophobicContact CD1-CD2 4.21Å
292G95.2Very high94Very high0 Ų025.2 Ų25.20%013%0.131CC..Hα-helixtrans-60.5-42.9173.700000112.4A72 A288 I289 I294 G295 A296A72-G292 WeakPolarHBondContact O-CA 3.36Å; A288-G292 PolarHBondContact O-N 3.28Å; I289-G292 PolarHBondContact O-N 3.41Å; G292-I294 PolarHBondContact O-N 3.21Å; G292-G295 PolarHBondContact O-N 3.47Å; G292-A296 PolarHBondContact O-N 2.88Å
293A96.3Very high93.9Very high0 Ų022.4 Ų22.40%012%0.117CC..Hα-helixtrans-64.1-38.6175.600000112.4V75 W228 I289 L290 I291 A296 S297V75-A293 HydrophobicContact CG1-CB 4.07Å; W228-A293 HydrophobicContact CD2-CB 3.55Å; W228-A293 HydrophobicContact CE3-CB 3.8Å; W228-A293 HydrophobicContact CG-CB 3.9Å; W228-A293 HydrophobicContact CH2-CB 4.47Å; W228-A293 HydrophobicContact CZ2-CB 4.22Å; W228-A293 HydrophobicContact CZ3-CB 4.26Å; I289-A293 WeakPolarHBondContact O-CB 3.49Å; I289-A293 PolarHBondContact O-N 2.98Å; L290-A293 PolarHBondContact O-N 2.85Å; I291-A293 VanDerWaalsContact C-N 3.34Å; I291-A293 PolarHBondContact O-N 3.35Å; A293-A296 PolarHBondContact O-N 3.25Å; A293-S297 WeakPolarHBondContact O-CB 3.49Å; A293-S297 PolarHBondContact O-N 3.49Å; A293-S297 PolarHBondContact O-OG 3.3Å
294I96.7Very high93.7Very high0 Ų029.5 Ų29.50%015%0.148CC..Hα-helixtrans-62.5-48173.8-69.6160.2000109.9A206 M207 V212 I215 L290 I291 G292 A296 S297 T298 V323 L327A206-I294 HydrophobicContact CB-CD1 3.93Å; A206-I294 HydrophobicContact CB-CG2 4.19Å; M207-I294 HydrophobicContact CB-CD1 4.5Å; M207-I294 HydrophobicContact CG-CD1 3.44Å; M207-I294 VanDerWaalsContact CG-CD1 3.44Å; M207-I294 HydrophobicContact CG-CG1 3.76Å; V212-I294 HydrophobicContact CG1-CG2 4.04Å; V212-I294 HydrophobicContact CG2-CG2 3.94Å; I215-I294 HydrophobicContact CG2-CG1 4.19Å; L290-I294 WeakPolarHBondContact O-CB 3.3Å; L290-I294 WeakPolarHBondContact O-CD1 3.31Å; L290-I294 WeakPolarHBondContact O-CG1 3.49Å; L290-I294 PolarHBondContact O-N 3.11Å; I291-I294 PolarHBondContact O-N 3.43Å; G292-I294 PolarHBondContact O-N 3.21Å; I294-A296 PolarHBondContact O-N 3.37Å; I294-S297 CarbonylContact O-C 3.6Å; I294-S297 WeakPolarHBondContact O-CA 3.38Å; I294-S297 PolarHBondContact O-N 3.39Å; I294-T298 PolarHBondContact O-N 3.36Å; I294-T298 VanDerWaalsContact O-N 3.08Å; I294-T298 PolarHBondContact O-OG1 3.42Å; I294-V323 HydrophobicContact CG2-CG1 4.12Å; I294-L327 HydrophobicContact CG2-CD1 3.8Å
295G95.3Very high93.6Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-57.6-38.3176.700000112.8Y76 I291 G292 S297 T298 W300Y76-G295 WeakPolarHBondContact CE2-O 3.31Å; I291-G295 PolarHBondContact O-N 2.81Å; G292-G295 PolarHBondContact O-N 3.47Å; G295-S297 VanDerWaalsContact C-N 3.28Å; G295-S297 PolarHBondContact O-N 2.94Å; G295-T298 PolarHBondContact O-N 3.34Å; G295-W300 PolarHBondContact O-NE1 3.17Å
296A94.6Very high93.4Very high5 Ų530.8 Ų30.84%0.04116%0.158CC..Hα-helixtrans-70.2-24.1175.200000113.6Y76 Q225 W228 G292 A293 I294Y76-A296 HydrophobicContact CD2-CB 4.23Å; Q225-A296 HydrophobicContact CG-CB 4.4Å; Q225-A296 WeakPolarHBondContact CG-O 3.41Å; Q225-A296 VanDerWaalsContact NE2-CA 3.33Å; W228-A296 HydrophobicContact CB-CB 3.78Å; G292-A296 PolarHBondContact O-N 2.88Å; A293-A296 PolarHBondContact O-N 3.25Å; I294-A296 PolarHBondContact O-N 3.37Å
297S95.3Very high93.1Very high0 Ų032.8 Ų32.80%017%0.168CC..THydrogen-bonded Turntrans-98.34.3-177.7-50.50000113T213 T218 H224 A293 I294 G295T213-S297 PolarHBondContact N-O 2.97Å; T213-S297 PolarHBondContact OG1-O 3.03Å; T218-S297 WeakPolarHBondContact CB-OG 3.48Å; T218-S297 PolarHBondContact OG1-OG 3.43Å; H224-S297 PolarHBondContact CD2-O 3.31Å; A293-S297 WeakPolarHBondContact O-CB 3.49Å; A293-S297 PolarHBondContact O-N 3.49Å; A293-S297 PolarHBondContact O-OG 3.3Å; I294-S297 CarbonylContact O-C 3.6Å; I294-S297 WeakPolarHBondContact O-CA 3.38Å; I294-S297 PolarHBondContact O-N 3.39Å; G295-S297 VanDerWaalsContact C-N 3.28Å; G295-S297 PolarHBondContact O-N 2.94Å
298T95.3Very high92.7Very high2 Ų235.7 Ų35.71%0.01219%0.187CC..BIsolated β-bridgetrans-92.7129.5-175-59.80000111.2A211 I294 G295 W300 T303 L327A211-T298 HydrophobicContact CB-CG2 4.49Å; I294-T298 PolarHBondContact O-N 3.36Å; I294-T298 VanDerWaalsContact O-N 3.08Å; I294-T298 PolarHBondContact O-OG1 3.42Å; G295-T298 PolarHBondContact O-N 3.34Å; T298-W300 VanDerWaalsContact C-N 3.32Å; T298-W300 HydrophobicContact CG2-CD2 3.94Å; T298-W300 HydrophobicContact CG2-CE3 4.13Å; T298-W300 HydrophobicContact CG2-CG 4.34Å; T298-W300 HydrophobicContact CG2-CH2 4.47Å; T298-W300 HydrophobicContact CG2-CZ2 4.29Å; T298-W300 HydrophobicContact CG2-CZ3 4.39Å; T298-W300 PolarHBondContact O-N 3.39Å; T298-T303 HydrophobicContact CG2-CG2 3.64Å; T298-L327 HydrophobicContact CG2-CD1 4.03Å; T298-L327 HydrophobicContact CG2-CD2 4.02Å; T298-L327 WeakPolarHBondContact OG1-CD1 3.44Å
299A93.2Very high92.5Very high5 Ų538 Ų384%0.04120%0.199CC..  trans-75.382.7164.900000109.5A211 N301 E302A211-A299 PolarHBondContact O-N 3.33Å; A299-N301 VanDerWaalsContact C-OD1 3.25Å; A299-N301 WeakPolarHBondContact CB-OD1 3.16Å; A299-N301 PolarHBondContact O-N 3.2Å; A299-N301 PolarHBondContact O-OD1 2.91Å; A299-E302 HydrophobicContact CB-CB 4.41Å; A299-E302 HydrophobicContact CB-CG 4.23Å; A299-E302 PolarHBondContact O-N 2.95Å
300W93.5Very high92.2Very high13 Ų1336.7 Ų36.75%0.04919%0.193CC..G310 helixtrans-56.5-26.6-173.6-69.2102.1000114.2G295 T298 E302 T303 Y305 G306 D309 P310 I319 I322 V323 L327G295-W300 PolarHBondContact O-NE1 3.17Å; T298-W300 VanDerWaalsContact C-N 3.32Å; T298-W300 HydrophobicContact CG2-CD2 3.94Å; T298-W300 HydrophobicContact CG2-CE3 4.13Å; T298-W300 HydrophobicContact CG2-CG 4.34Å; T298-W300 HydrophobicContact CG2-CH2 4.47Å; T298-W300 HydrophobicContact CG2-CZ2 4.29Å; T298-W300 HydrophobicContact CG2-CZ3 4.39Å; T298-W300 PolarHBondContact O-N 3.39Å; W300-E302 PolarHBondContact O-N 2.92Å; W300-T303 HydrophobicContact CE3-CG2 4.41Å; W300-T303 PolarHBondContact O-N 3.35Å; W300-T303 PolarHBondContact O-OG1 3.03Å; W300-Y305 HydrophobicContact CD2-CD1 4.41Å; W300-Y305 AromaticContact CE3-CD1 3.78Å; W300-Y305 HydrophobicContact CE3-CD1 3.78Å; W300-Y305 HydrophobicContact CE3-CG 4.06Å; W300-Y305 HydrophobicContact CZ3-CD1 4.45Å; W300-Y305 HydrophobicContact CZ3-CG 4.35Å; W300-G306 WeakPolarHBondContact O-CA 3.47Å; W300-G306 PolarHBondContact O-N 2.94Å; W300-D309 HydrophobicContact CB-CB 4.28Å; W300-D309 HydrophobicContact CG-CB 4.27Å; W300-P310 HydrophobicContact CD2-CG 3.92Å; W300-P310 HydrophobicContact CE3-CG 4.21Å; W300-P310 HydrophobicContact CG-CG 4.48Å; W300-P310 HydrophobicContact CH2-CG 4.26Å; W300-P310 HydrophobicContact CZ2-CG 3.98Å; W300-P310 HydrophobicContact CZ3-CG 4.37Å; W300-I319 HydrophobicContact CH2-CD1 4.1Å; W300-I319 HydrophobicContact CZ2-CD1 3.57Å; W300-I322 HydrophobicContact CH2-CG2 3.59Å; W300-I322 HydrophobicContact CZ3-CG2 3.58Å; W300-V323 HydrophobicContact CH2-CG2 4.02Å; W300-V323 HydrophobicContact CZ2-CG2 4.35Å; W300-L327 HydrophobicContact CH2-CD1 4.44Å
301N90.9Very high91.8Very high96 Ų9638.1 Ų38.151%0.51320%0.199SC..G310 helixtrans-62.9-23.7173.263.6-49.6000114.3A299 L307A299-N301 VanDerWaalsContact C-OD1 3.25Å; A299-N301 WeakPolarHBondContact CB-OD1 3.16Å; A299-N301 PolarHBondContact O-N 3.2Å; A299-N301 PolarHBondContact O-OD1 2.91Å; N301-L307 HydrophobicContact CB-CD1 4.08Å; N301-L307 HydrophobicContact CB-CD2 4.31Å; N301-L307 HydrophobicContact CB-CG 4.01Å
302E90.5Very high91.4Very high132 Ų13242.6 Ų42.662%0.61723%0.227SC*.G310 helixtrans-97.41-179.6-61.6-179.4-170.300112.7A211 A299 W300A211-E302 HydrophobicContact CB-CB 4.02Å; A299-E302 HydrophobicContact CB-CB 4.41Å; A299-E302 HydrophobicContact CB-CG 4.23Å; A299-E302 PolarHBondContact O-N 2.95Å; W300-E302 PolarHBondContact O-N 2.92Å
303T91.6Very high90.9Very high14 Ų1446.3 Ų46.39%0.08624%0.243CC..SBendtrans-100.9163.8179.370.70000111.3A211 T298 W300 Y305 G306 L327A211-T303 HydrophobicContact CB-CG2 3.72Å; T298-T303 HydrophobicContact CG2-CG2 3.64Å; W300-T303 HydrophobicContact CE3-CG2 4.41Å; W300-T303 PolarHBondContact O-N 3.35Å; W300-T303 PolarHBondContact O-OG1 3.03Å; T303-Y305 PolarHBondContact O-N 3.43Å; T303-Y305 WeakPolarHBondContact OG1-CB 3.43Å; T303-Y305 PolarHBondContact OG1-N 3.34Å; T303-G306 PolarHBondContact O-N 3.01Å; T303-L327 HydrophobicContact CG2-CD2 3.73Å
304E87.4Confident90.4Very high184 Ų18455.2 Ų55.286%0.8628%0.281SS*.THydrogen-bonded Turntrans-63.7-17.9172.5-66.7-173.3171.500113.4Y326E304-Y326 HydrophobicContact CB-CD1 4.05Å; E304-Y326 HydrophobicContact CB-CE1 4.43Å
305Y88.6Confident89.9Confident21 Ų2157.8 Ų57.88%0.08229%0.294CS..THydrogen-bonded Turntrans-69.6-38.2174.9175.2-88.5000112.3W300 T303 P308 P310 K313 E315 I322 Y326W300-Y305 HydrophobicContact CD2-CD1 4.41Å; W300-Y305 AromaticContact CE3-CD1 3.78Å; W300-Y305 HydrophobicContact CE3-CD1 3.78Å; W300-Y305 HydrophobicContact CE3-CG 4.06Å; W300-Y305 HydrophobicContact CZ3-CD1 4.45Å; W300-Y305 HydrophobicContact CZ3-CG 4.35Å; T303-Y305 PolarHBondContact O-N 3.43Å; T303-Y305 WeakPolarHBondContact OG1-CB 3.43Å; T303-Y305 PolarHBondContact OG1-N 3.34Å; Y305-P308 WeakPolarHBondContact CE1-O 3.44Å; Y305-P310 HydrophobicContact CD1-CG 4.36Å; Y305-P310 HydrophobicContact CE1-CG 3.72Å; Y305-P310 HydrophobicContact CE2-CG 4.45Å; Y305-P310 WeakPolarHBondContact OH-CA 3.37Å; Y305-K313 VanDerWaalsContact CZ-NZ 3.33Å; Y305-K313 VanDerWaalsContact OH-CD 3.28Å; Y305-K313 WeakPolarHBondContact OH-CD 3.46Å; Y305-K313 PolarHBondContact OH-NZ 3.26Å; Y305-E315 PolarHBondContact OH-OE2 2.79Å; Y305-I322 HydrophobicContact CD2-CG2 4.03Å; Y305-I322 HydrophobicContact CE2-CD1 4.25Å; Y305-I322 HydrophobicContact CE2-CG2 4.27Å; Y305-Y326 HydrophobicContact CD2-CD2 4.01Å; Y305-Y326 AromaticContact CD2-CE2 3.63Å; Y305-Y326 HydrophobicContact CD2-CE2 3.63Å; Y305-Y326 HydrophobicContact CG-CD2 4.41Å; Y305-Y326 HydrophobicContact CG-CE2 4.37Å
306G88.5Confident89.5Confident19 Ų1958.2 Ų58.220%0.19630%0.297CS..  trans72-160.2175.300000115.7W300 T303W300-G306 WeakPolarHBondContact O-CA 3.47Å; W300-G306 PolarHBondContact O-N 2.94Å; T303-G306 PolarHBondContact O-N 3.01Å
307L86.6Confident88.8Confident122 Ų12260.3 Ų60.364%0.63931%0.307SS*.SBendtrans-106.6152.7177.9-70.8176.9000111.5N301N301-L307 HydrophobicContact CB-CD1 4.08Å; N301-L307 HydrophobicContact CB-CD2 4.31Å; N301-L307 HydrophobicContact CB-CG 4.01Å
308P86.8Confident88.4Confident63 Ų6361.7 Ų61.741%0.40931%0.314SS..SBendcis-70.9155.7-3.524.6-29.9000113.4Y305 T312 K313Y305-P308 WeakPolarHBondContact CE1-O 3.44Å; P308-T312 HydrophobicContact CB-CG2 3.88Å; P308-K313 HydrophobicContact CB-CG 4.36Å; P308-K313 HydrophobicContact CG-CD 4.34Å; P308-K313 HydrophobicContact CG-CG 3.74Å; P308-K313 WeakPolarHBondContact O-CE 3.29Å
309D88.4Confident88.2Confident48 Ų4861.6 Ų61.626%0.25731%0.314SS..  trans-62.2162.9-178.263.140.4000113W300 M311 T312 K313W300-D309 HydrophobicContact CB-CB 4.28Å; W300-D309 HydrophobicContact CG-CB 4.27Å; D309-M311 VanDerWaalsContact C-N 3.26Å; D309-M311 PolarHBondContact O-N 3.17Å; D309-M311 PolarHBondContact OD1-N 3.44Å; D309-T312 PolarHBondContact O-N 3Å; D309-T312 VanDerWaalsContact OD1-CB 3.22Å; D309-T312 WeakPolarHBondContact OD1-CB 3.46Å; D309-T312 PolarHBondContact OD1-N 3.14Å; D309-T312 PolarHBondContact OD1-OG1 3.47Å; D309-K313 PolarHBondContact O-N 2.53Å
310P89.3Confident88.1Confident0 Ų061.4 Ų61.40%031%0.312CS..THydrogen-bonded Turntrans-55.8-37.6-178.7-25.834.1000113.9Y76 W300 Y305 K313 K314 E315 I319 I322Y76-P310 HydrophobicContact CE1-CB 4.14Å; Y76-P310 WeakPolarHBondContact OH-CD 3.45Å; W300-P310 HydrophobicContact CD2-CG 3.92Å; W300-P310 HydrophobicContact CE3-CG 4.21Å; W300-P310 HydrophobicContact CG-CG 4.48Å; W300-P310 HydrophobicContact CH2-CG 4.26Å; W300-P310 HydrophobicContact CZ2-CG 3.98Å; W300-P310 HydrophobicContact CZ3-CG 4.37Å; Y305-P310 HydrophobicContact CD1-CG 4.36Å; Y305-P310 HydrophobicContact CE1-CG 3.72Å; Y305-P310 HydrophobicContact CE2-CG 4.45Å; Y305-P310 WeakPolarHBondContact OH-CA 3.37Å; P310-K313 PolarHBondContact O-N 2.94Å; P310-K314 PolarHBondContact O-N 3.03Å; P310-E315 HydrophobicContact CB-CB 4.46Å; P310-E315 PolarHBondContact O-N 3.29Å; P310-I319 HydrophobicContact CB-CD1 4.2Å; P310-I319 HydrophobicContact CG-CD1 4.15Å; P310-I322 HydrophobicContact CB-CD1 4.17Å; P310-I322 HydrophobicContact CG-CD1 4.4Å; P310-I322 HydrophobicContact CG-CG2 4.29Å
311M87.8Confident88Confident76 Ų7660.8 Ų60.837%0.37431%0.309SS..THydrogen-bonded Turntrans-62.1-47177.6-173.962.9-166.400111.9Y76 V77 P78 D309 K313 K314 A316Y76-M311 HydrophobicContact CE1-CB 4.06Å; Y76-M311 PolarHBondContact OH-N 3.23Å; Y76-M311 VanDerWaalsContact OH-N 3.12Å; V77-M311 HydrophobicContact CG1-CE 4.32Å; V77-M311 HydrophobicContact CG2-SD 4.32Å; P78-M311 HydrophobicContact CG-CG 4.39Å; D309-M311 VanDerWaalsContact C-N 3.26Å; D309-M311 PolarHBondContact O-N 3.17Å; D309-M311 PolarHBondContact OD1-N 3.44Å; M311-K313 VanDerWaalsContact C-N 3.32Å; M311-K313 PolarHBondContact O-N 2.87Å; M311-K314 PolarHBondContact O-N 3.23Å; M311-A316 HydrophobicContact SD-CB 3.94Å
312T87.3Confident88Confident95 Ų9556.4 Ų56.458%0.58329%0.286SS*.THydrogen-bonded Turntrans-68.5-31.6-179-55.40000111.9P308 D309 K314P308-T312 HydrophobicContact CB-CG2 3.88Å; D309-T312 PolarHBondContact O-N 3Å; D309-T312 VanDerWaalsContact OD1-CB 3.22Å; D309-T312 WeakPolarHBondContact OD1-CB 3.46Å; D309-T312 PolarHBondContact OD1-N 3.14Å; D309-T312 PolarHBondContact OD1-OG1 3.47Å; T312-K314 PolarHBondContact O-N 2.9Å
313K86.3Confident88.2Confident77 Ų7750.1 Ų50.134%0.33526%0.257SS..THydrogen-bonded Turntrans-76.3-5.1172.3-69.1-160.8-161.6142.20114.3Y305 P308 D309 P310 M311 E315Y305-K313 VanDerWaalsContact CZ-NZ 3.33Å; Y305-K313 VanDerWaalsContact OH-CD 3.28Å; Y305-K313 WeakPolarHBondContact OH-CD 3.46Å; Y305-K313 PolarHBondContact OH-NZ 3.26Å; P308-K313 HydrophobicContact CB-CG 4.36Å; P308-K313 HydrophobicContact CG-CD 4.34Å; P308-K313 HydrophobicContact CG-CG 3.74Å; P308-K313 WeakPolarHBondContact O-CE 3.29Å; D309-K313 PolarHBondContact O-N 2.53Å; P310-K313 PolarHBondContact O-N 2.94Å; M311-K313 VanDerWaalsContact C-N 3.32Å; M311-K313 PolarHBondContact O-N 2.87Å; K313-E315 VanDerWaalsContact C-N 3.32Å; K313-E315 HydrophobicContact CB-CB 4.45Å; K313-E315 HydrophobicContact CB-CG 3.8Å
314K84.7Confident88.2Confident187 Ų18749.4 Ų49.481%0.81325%0.252SS*.THydrogen-bonded Turntrans62.138.7-171.7-51-179.2177.2-176.10112.7P310 M311 T312P310-K314 PolarHBondContact O-N 3.03Å; M311-K314 PolarHBondContact O-N 3.23Å; T312-K314 PolarHBondContact O-N 2.9Å
315E85.9Confident88.4Confident55 Ų5542.1 Ų42.126%0.25722%0.218SC..  trans-113.221.9179.2-60-177.516600111.4Y305 P310 K313 D317 M318 I319 I322Y305-E315 PolarHBondContact OH-OE2 2.79Å; P310-E315 HydrophobicContact CB-CB 4.46Å; P310-E315 PolarHBondContact O-N 3.29Å; K313-E315 VanDerWaalsContact C-N 3.32Å; K313-E315 HydrophobicContact CB-CB 4.45Å; K313-E315 HydrophobicContact CB-CG 3.8Å; E315-D317 VanDerWaalsContact C-N 3.27Å; E315-D317 PolarHBondContact O-N 3.05Å; E315-M318 HydrophobicContact CB-CE 3.65Å; E315-M318 HydrophobicContact CG-CE 3.49Å; E315-M318 VanDerWaalsContact CG-CE 3.49Å; E315-M318 CarbonylContact O-C 3.45Å; E315-M318 WeakPolarHBondContact O-CA 3.32Å; E315-M318 WeakPolarHBondContact O-CB 3.34Å; E315-M318 PolarHBondContact O-N 3.38Å; E315-I319 PolarHBondContact O-N 3Å; E315-I322 HydrophobicContact CB-CD1 4.05Å
316A86.3Confident88.5Confident8 Ų845 Ų457%0.06623%0.229CC..G310 helixtrans-63.2-3218000000112.8E73 Y76 V77 M311 M318 I319E73-A316 HydrophobicContact CG-CB 4.44Å; Y76-A316 HydrophobicContact CD1-CB 3.9Å; Y76-A316 HydrophobicContact CE1-CB 3.96Å; V77-A316 HydrophobicContact CG2-CB 4.05Å; M311-A316 HydrophobicContact SD-CB 3.94Å; A316-M318 PolarHBondContact O-N 3.39Å; A316-I319 VanDerWaalsContact O-CB 3.31Å; A316-I319 WeakPolarHBondContact O-CB 3.47Å; A316-I319 VanDerWaalsContact O-CG2 3.26Å; A316-I319 WeakPolarHBondContact O-CG2 3.46Å; A316-I319 PolarHBondContact O-N 3.22Å; A316-I319 VanDerWaalsContact O-N 3.15Å
317D80.6Confident88.8Confident49 Ų4944.2 Ų44.226%0.26222%0.221SC..G310 helixtrans-66-19.917363.2-26.2000112.9E315E315-D317 VanDerWaalsContact C-N 3.27Å; E315-D317 PolarHBondContact O-N 3.05Å
318M86.6Confident89.1Confident30 Ų3039 Ų3915%0.14820%0.195CC..G310 helixtrans-100.310.5175.6-55.8-164.1-70.600113.1A151 V155 E315 A316 L320 P321 I322A151-M318 HydrophobicContact CB-CG 3.91Å; A151-M318 HydrophobicContact CB-SD 3.94Å; V155-M318 HydrophobicContact CG2-SD 4.15Å; E315-M318 HydrophobicContact CB-CE 3.65Å; E315-M318 HydrophobicContact CG-CE 3.49Å; E315-M318 VanDerWaalsContact CG-CE 3.49Å; E315-M318 CarbonylContact O-C 3.45Å; E315-M318 WeakPolarHBondContact O-CA 3.32Å; E315-M318 WeakPolarHBondContact O-CB 3.34Å; E315-M318 PolarHBondContact O-N 3.38Å; A316-M318 PolarHBondContact O-N 3.39Å; M318-L320 VanDerWaalsContact C-N 3.25Å; M318-L320 PolarHBondContact O-N 3.11Å; M318-P321 HydrophobicContact CB-CG 4.18Å; M318-P321 WeakPolarHBondContact O-CD 3.09Å; M318-P321 WeakPolarHBondContact O-CG 3.28Å; M318-I322 HydrophobicContact CB-CD1 3.89Å; M318-I322 HydrophobicContact CB-CG1 4.27Å; M318-I322 WeakPolarHBondContact O-CB 3.36Å; M318-I322 WeakPolarHBondContact O-CD1 3.5Å; M318-I322 WeakPolarHBondContact O-CG1 3.36Å; M318-I322 PolarHBondContact O-N 3.35Å
319I91.5Very high89.3Confident0 Ų038.9 Ų38.90%019%0.194CC..Hα-helixtrans-58.4-38.3-175.6-16863.9000112.8A72 Y76 W300 P310 E315 A316 I322 V323A72-I319 HydrophobicContact CB-CG2 4.03Å; Y76-I319 HydrophobicContact CD1-CB 3.87Å; Y76-I319 HydrophobicContact CD1-CD1 3.87Å; Y76-I319 HydrophobicContact CD1-CG1 3.75Å; Y76-I319 HydrophobicContact CD1-CG2 4.33Å; Y76-I319 HydrophobicContact CD2-CD1 3.77Å; Y76-I319 HydrophobicContact CD2-CG1 3.81Å; Y76-I319 HydrophobicContact CE1-CB 4.45Å; Y76-I319 HydrophobicContact CE1-CD1 3.8Å; Y76-I319 HydrophobicContact CE1-CG1 4.22Å; Y76-I319 HydrophobicContact CE2-CD1 3.72Å; Y76-I319 HydrophobicContact CE2-CG1 4.28Å; Y76-I319 HydrophobicContact CG-CB 4.05Å; Y76-I319 HydrophobicContact CG-CD1 3.86Å; Y76-I319 HydrophobicContact CG-CG1 3.53Å; Y76-I319 HydrophobicContact CG-CG2 4.3Å; W300-I319 HydrophobicContact CH2-CD1 4.1Å; W300-I319 HydrophobicContact CZ2-CD1 3.57Å; P310-I319 HydrophobicContact CB-CD1 4.2Å; P310-I319 HydrophobicContact CG-CD1 4.15Å; E315-I319 PolarHBondContact O-N 3Å; A316-I319 VanDerWaalsContact O-CB 3.31Å; A316-I319 WeakPolarHBondContact O-CB 3.47Å; A316-I319 VanDerWaalsContact O-CG2 3.26Å; A316-I319 WeakPolarHBondContact O-CG2 3.46Å; A316-I319 PolarHBondContact O-N 3.22Å; A316-I319 VanDerWaalsContact O-N 3.15Å; I319-I322 PolarHBondContact O-N 2.94Å; I319-V323 HydrophobicContact CD1-CG2 4.31Å; I319-V323 HydrophobicContact CG1-CG2 4.24Å; I319-V323 WeakPolarHBondContact O-CB 3.36Å; I319-V323 WeakPolarHBondContact O-CG2 3.25Å; I319-V323 PolarHBondContact O-N 3.29Å
320L91.8Very high89.2Confident0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-61.5-57179.2-173.5156.8000111.5I68 A72 L199 I291 M318 I322 V323 L324 V340I68-L320 HydrophobicContact CB-CD1 4.47Å; I68-L320 HydrophobicContact CG2-CD1 3.32Å; A72-L320 HydrophobicContact CB-CB 3.9Å; A72-L320 HydrophobicContact CB-CD1 4.06Å; A72-L320 HydrophobicContact CB-CG 4.45Å; L199-L320 HydrophobicContact CD2-CD2 4.46Å; I291-L320 HydrophobicContact CD1-CG 4.44Å; I291-L320 HydrophobicContact CG2-CB 4.27Å; I291-L320 HydrophobicContact CG2-CG 4.01Å; M318-L320 VanDerWaalsContact C-N 3.25Å; M318-L320 PolarHBondContact O-N 3.11Å; L320-I322 VanDerWaalsContact C-N 3.28Å; L320-I322 PolarHBondContact O-N 2.95Å; L320-V323 PolarHBondContact O-N 3.48Å; L320-L324 HydrophobicContact CD2-CD1 3.73Å; L320-L324 HydrophobicContact CD2-CG 4.31Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 2.75Å; L320-L324 VanDerWaalsContact O-N 3.12Å; L320-V340 HydrophobicContact CD2-CB 4.49Å; L320-V340 HydrophobicContact CD2-CG1 4.3Å; L320-V340 HydrophobicContact CD2-CG2 3.48Å; L320-V340 VanDerWaalsContact CD2-CG2 3.48Å
321P90.1Very high89.1Confident0 Ų049.5 Ų49.50%024%0.24CC..Hα-helixtrans-63.6-32.8177.421.5-31.5000113.1V155 M318 L324 Q325 L337V155-P321 HydrophobicContact CB-CB 4.18Å; V155-P321 HydrophobicContact CG1-CB 4.19Å; V155-P321 HydrophobicContact CG2-CB 4.27Å; V155-P321 HydrophobicContact CG2-CG 4.35Å; M318-P321 HydrophobicContact CB-CG 4.18Å; M318-P321 WeakPolarHBondContact O-CD 3.09Å; M318-P321 WeakPolarHBondContact O-CG 3.28Å; P321-L324 PolarHBondContact O-N 3.22Å; P321-Q325 WeakPolarHBondContact O-CB 3.24Å; P321-Q325 PolarHBondContact O-N 3.22Å; P321-L337 HydrophobicContact CB-CD2 3.46Å; P321-L337 VanDerWaalsContact CB-CD2 3.46Å
322I91.6Very high89.1Confident4 Ų447 Ų472%0.02123%0.228CC..Hα-helixtrans-62.9-48175.5-69.3168.9000111W300 Y305 P310 E315 M318 I319 L320 L324 Q325 Y326W300-I322 HydrophobicContact CH2-CG2 3.59Å; W300-I322 HydrophobicContact CZ3-CG2 3.58Å; Y305-I322 HydrophobicContact CD2-CG2 4.03Å; Y305-I322 HydrophobicContact CE2-CD1 4.25Å; Y305-I322 HydrophobicContact CE2-CG2 4.27Å; P310-I322 HydrophobicContact CB-CD1 4.17Å; P310-I322 HydrophobicContact CG-CD1 4.4Å; P310-I322 HydrophobicContact CG-CG2 4.29Å; E315-I322 HydrophobicContact CB-CD1 4.05Å; M318-I322 HydrophobicContact CB-CD1 3.89Å; M318-I322 HydrophobicContact CB-CG1 4.27Å; M318-I322 WeakPolarHBondContact O-CB 3.36Å; M318-I322 WeakPolarHBondContact O-CD1 3.5Å; M318-I322 WeakPolarHBondContact O-CG1 3.36Å; M318-I322 PolarHBondContact O-N 3.35Å; I319-I322 PolarHBondContact O-N 2.94Å; L320-I322 VanDerWaalsContact C-N 3.28Å; L320-I322 PolarHBondContact O-N 2.95Å; I322-L324 VanDerWaalsContact C-N 3.3Å; I322-L324 PolarHBondContact O-N 3.25Å; I322-Q325 PolarHBondContact O-N 3.32Å; I322-Q325 VanDerWaalsContact O-N 3.17Å; I322-Y326 HydrophobicContact CG2-CD2 3.8Å; I322-Y326 HydrophobicContact CG2-CE2 4.29Å; I322-Y326 VanDerWaalsContact O-CD2 3.3Å; I322-Y326 WeakPolarHBondContact O-CD2 3.49Å; I322-Y326 PolarHBondContact O-N 3.37Å
323V94.4Very high89.2Confident0 Ų042.6 Ų42.60%020%0.201CC..Hα-helixtrans-59.1-44.3176.91640000110.7A206 I291 I294 W300 I319 L320 Q325 L327A206-V323 HydrophobicContact CB-CG1 4.04Å; I291-V323 HydrophobicContact CG2-CB 3.82Å; I291-V323 HydrophobicContact CG2-CG1 3.75Å; I291-V323 HydrophobicContact CG2-CG2 4.23Å; I294-V323 HydrophobicContact CG2-CG1 4.12Å; W300-V323 HydrophobicContact CH2-CG2 4.02Å; W300-V323 HydrophobicContact CZ2-CG2 4.35Å; I319-V323 HydrophobicContact CD1-CG2 4.31Å; I319-V323 HydrophobicContact CG1-CG2 4.24Å; I319-V323 WeakPolarHBondContact O-CB 3.36Å; I319-V323 WeakPolarHBondContact O-CG2 3.25Å; I319-V323 PolarHBondContact O-N 3.29Å; L320-V323 PolarHBondContact O-N 3.48Å; V323-Q325 VanDerWaalsContact C-N 3.34Å; V323-Q325 PolarHBondContact O-N 3.16Å; V323-L327 HydrophobicContact CB-CD1 4.38Å; V323-L327 HydrophobicContact CG1-CB 4.49Å; V323-L327 HydrophobicContact CG1-CD1 4.04Å; V323-L327 HydrophobicContact CG2-CD1 4.15Å; V323-L327 VanDerWaalsContact O-CB 3.29Å; V323-L327 WeakPolarHBondContact O-CB 3.06Å; V323-L327 PolarHBondContact O-N 2.94Å
324L92.6Very high89.1Confident0 Ų040.1 Ų40.10%019%0.19CC..Hα-helixtrans-63.5-39.5176.9-64.8-176.6000112.3L199 S202 I291 L320 P321 I322 C328 S333 L337 V340L199-L324 HydrophobicContact CD2-CD1 4.19Å; S202-L324 WeakPolarHBondContact OG-CD2 3.26Å; I291-L324 HydrophobicContact CD1-CD2 4.21Å; L320-L324 HydrophobicContact CD2-CD1 3.73Å; L320-L324 HydrophobicContact CD2-CG 4.31Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 2.75Å; L320-L324 VanDerWaalsContact O-N 3.12Å; P321-L324 PolarHBondContact O-N 3.22Å; I322-L324 VanDerWaalsContact C-N 3.3Å; I322-L324 PolarHBondContact O-N 3.25Å; L324-C328 VanDerWaalsContact O-CB 3.32Å; L324-C328 WeakPolarHBondContact O-CB 3.27Å; L324-S333 VanDerWaalsContact C-OG 3.3Å; L324-S333 WeakPolarHBondContact O-CB 3.19Å; L324-S333 PolarHBondContact O-OG 2.94Å; L324-L337 HydrophobicContact CB-CD1 4.35Å; L324-L337 HydrophobicContact CB-CD2 3.99Å; L324-L337 HydrophobicContact CB-CG 3.88Å; L324-L337 HydrophobicContact CD1-CD2 3.98Å; L324-L337 HydrophobicContact CD1-CG 4.05Å; L324-V340 HydrophobicContact CD1-CG2 4.18Å
325Q90.6Very high89.1Confident31 Ų3135.3 Ų35.315%0.14517%0.169CC..Hα-helixtrans-69.8-45-178.5-176.762.826.900112.5V155 P321 I322 V323 S333 L337V155-Q325 HydrophobicContact CG1-CB 3.96Å; V155-Q325 HydrophobicContact CG1-CG 4.21Å; P321-Q325 WeakPolarHBondContact O-CB 3.24Å; P321-Q325 PolarHBondContact O-N 3.22Å; I322-Q325 PolarHBondContact O-N 3.32Å; I322-Q325 VanDerWaalsContact O-N 3.17Å; V323-Q325 VanDerWaalsContact C-N 3.34Å; V323-Q325 PolarHBondContact O-N 3.16Å; Q325-S333 WeakPolarHBondContact CA-OG 3.3Å; Q325-L337 HydrophobicContact CB-CD1 4.46Å
326Y91.6Very high89.2Confident80 Ų8032.7 Ų32.731%0.31416%0.157SC..Hα-helixtrans-103.2-17.7-166.8-67.3-76000114.7E304 Y305 I322E304-Y326 HydrophobicContact CB-CD1 4.05Å; E304-Y326 HydrophobicContact CB-CE1 4.43Å; Y305-Y326 HydrophobicContact CD2-CD2 4.01Å; Y305-Y326 AromaticContact CD2-CE2 3.63Å; Y305-Y326 HydrophobicContact CD2-CE2 3.63Å; Y305-Y326 HydrophobicContact CG-CD2 4.41Å; Y305-Y326 HydrophobicContact CG-CE2 4.37Å; I322-Y326 HydrophobicContact CG2-CD2 3.8Å; I322-Y326 HydrophobicContact CG2-CE2 4.29Å; I322-Y326 VanDerWaalsContact O-CD2 3.3Å; I322-Y326 WeakPolarHBondContact O-CD2 3.49Å; I322-Y326 PolarHBondContact O-N 3.37Å
327L93.7Very high89.2Confident4 Ų432.3 Ų32.32%0.02115%0.154CC..Hα-helixtrans-112.8-9.5-176.9-53.1-180000113.4A206 H209 V212 I294 T298 W300 T303 V323A206-L327 HydrophobicContact CB-CB 4.25Å; H209-L327 HydrophobicContact CB-CB 4.32Å; H209-L327 HydrophobicContact CB-CD2 4.44Å; V212-L327 HydrophobicContact CG2-CD1 3.94Å; V212-L327 HydrophobicContact CG2-CD2 4.47Å; I294-L327 HydrophobicContact CG2-CD1 3.8Å; T298-L327 HydrophobicContact CG2-CD1 4.03Å; T298-L327 HydrophobicContact CG2-CD2 4.02Å; T298-L327 WeakPolarHBondContact OG1-CD1 3.44Å; W300-L327 HydrophobicContact CH2-CD1 4.44Å; T303-L327 HydrophobicContact CG2-CD2 3.73Å; V323-L327 HydrophobicContact CB-CD1 4.38Å; V323-L327 HydrophobicContact CG1-CB 4.49Å; V323-L327 HydrophobicContact CG1-CD1 4.04Å; V323-L327 HydrophobicContact CG2-CD1 4.15Å; V323-L327 VanDerWaalsContact O-CB 3.29Å; V323-L327 WeakPolarHBondContact O-CB 3.06Å; V323-L327 PolarHBondContact O-N 2.94Å
328C93.1Very high89.4Confident13 Ų1330.2 Ų30.29%0.08814%0.144CC..SBendtrans-105.8152.1176.3-62.90000111.7L324 I332L324-C328 VanDerWaalsContact O-CB 3.32Å; L324-C328 WeakPolarHBondContact O-CB 3.27Å; C328-I332 HydrophobicContact CB-CB 4.44Å; C328-I332 HydrophobicContact CB-CG2 4.31Å
329P90.7Very high89.3Confident60 Ų6028.9 Ų28.939%0.3914%0.138SC..  trans-57.6146.6166.7-22.732.8000112F205 Y331 I332 S333F205-P329 HydrophobicContact CD1-CG 3.62Å; F205-P329 HydrophobicContact CE1-CG 4.17Å; F205-P329 HydrophobicContact CG-CG 4.37Å; P329-Y331 VanDerWaalsContact C-N 3.32Å; P329-Y331 PolarHBondContact O-N 3.27Å; P329-Y331 VanDerWaalsContact O-N 3.1Å; P329-I332 HydrophobicContact CG-CD1 4.22Å; P329-I332 PolarHBondContact O-N 3.41Å; P329-S333 PolarHBondContact O-N 3Å
330V86.6Confident88.9Confident77 Ų7728.9 Ų28.947%0.46714%0.138SC..Hα-helixtrans-44.6-49.3-174179.80000113.8I332 S333 F334V330-I332 PolarHBondContact O-N 3.16Å; V330-S333 WeakPolarHBondContact O-CB 3.33Å; V330-S333 PolarHBondContact O-N 3.45Å; V330-F334 HydrophobicContact CG1-CD2 3.87Å; V330-F334 HydrophobicContact CG1-CE2 3.27Å; V330-F334 HydrophobicContact CG1-CZ 3.79Å; V330-F334 WeakPolarHBondContact O-CD2 3.45Å; V330-F334 WeakPolarHBondContact O-CG 3.35Å; V330-F334 PolarHBondContact O-N 3.36Å
331Y86.8Confident88.4Confident193 Ų19328.9 Ų28.976%0.75714%0.138SC*.Hα-helixtrans-66.4-36.6-178.2-56.3-69.3000113.6P329 F335P329-Y331 VanDerWaalsContact C-N 3.32Å; P329-Y331 PolarHBondContact O-N 3.27Å; P329-Y331 VanDerWaalsContact O-N 3.1Å; Y331-F335 WeakPolarHBondContact O-CB 3.43Å; Y331-F335 PolarHBondContact O-N 3.45Å; Y331-F335 VanDerWaalsContact O-N 3.15Å
332I89.7Confident87.9Confident25 Ų2528.9 Ų28.913%0.12814%0.138CC..Hα-helixtrans-76-40.1-179.4-61.3-179000109.5I201 F205 C328 P329 V330 F335 G336I201-I332 HydrophobicContact CG2-CD1 4.36Å; I201-I332 HydrophobicContact CG2-CG2 4.15Å; F205-I332 HydrophobicContact CB-CD1 4.31Å; F205-I332 HydrophobicContact CD1-CD1 3.6Å; F205-I332 HydrophobicContact CD2-CD1 3.25Å; F205-I332 HydrophobicContact CE1-CD1 3.55Å; F205-I332 HydrophobicContact CE2-CD1 3.2Å; F205-I332 HydrophobicContact CG-CD1 3.43Å; F205-I332 VanDerWaalsContact CG-CD1 3.43Å; F205-I332 HydrophobicContact CZ-CD1 3.35Å; C328-I332 HydrophobicContact CB-CB 4.44Å; C328-I332 HydrophobicContact CB-CG2 4.31Å; P329-I332 HydrophobicContact CG-CD1 4.22Å; P329-I332 PolarHBondContact O-N 3.41Å; V330-I332 PolarHBondContact O-N 3.16Å; I332-F335 PolarHBondContact O-N 2.92Å; I332-G336 PolarHBondContact O-N 2.84Å
333S87.7Confident87.2Confident1 Ų128.7 Ų28.71%0.00714%0.137CC..Hα-helixtrans-53-55.1172.2-175.20000111.2L324 Q325 P329 V330 F335 G336 L337L324-S333 VanDerWaalsContact C-OG 3.3Å; L324-S333 WeakPolarHBondContact O-CB 3.19Å; L324-S333 PolarHBondContact O-OG 2.94Å; Q325-S333 WeakPolarHBondContact CA-OG 3.3Å; P329-S333 PolarHBondContact O-N 3Å; V330-S333 WeakPolarHBondContact O-CB 3.33Å; V330-S333 PolarHBondContact O-N 3.45Å; S333-F335 PolarHBondContact O-N 3.47Å; S333-G336 PolarHBondContact O-N 3.12Å; S333-L337 VanDerWaalsContact O-CB 3.23Å; S333-L337 WeakPolarHBondContact O-CB 3.32Å; S333-L337 VanDerWaalsContact O-CG 3.24Å; S333-L337 WeakPolarHBondContact O-CG 3.35Å; S333-L337 PolarHBondContact O-N 2.92Å; S333-L337 WeakPolarHBondContact OG-CD1 3.47Å
334F84.2Confident86.5Confident25 Ų2528.7 Ų28.711%0.1114%0.137CC..Hα-helixtrans-63.6-38.6180-64.9-31.5000113.3E6 G7 A10 I156 V330 G338E6-F334 HydrophobicContact CB-CE2 3.77Å; E6-F334 HydrophobicContact CB-CZ 4.3Å; G7-F334 VanDerWaalsContact CA-CE1 3.5Å; A10-F334 HydrophobicContact CB-CB 4.35Å; I156-F334 HydrophobicContact CG2-CD1 4.34Å; I156-F334 HydrophobicContact CG2-CE1 4.39Å; V330-F334 HydrophobicContact CG1-CD2 3.87Å; V330-F334 HydrophobicContact CG1-CE2 3.27Å; V330-F334 HydrophobicContact CG1-CZ 3.79Å; V330-F334 WeakPolarHBondContact O-CD2 3.45Å; V330-F334 WeakPolarHBondContact O-CG 3.35Å; V330-F334 PolarHBondContact O-N 3.36Å; F334-G338 PolarHBondContact O-N 3.04Å
335F85.9Confident85.8Confident86 Ų8628.8 Ų28.838%0.37714%0.137SC..Hα-helixtrans-65.4-46175.8-177.1-113.3000111.9L197 G198 I201 Y331 I332 S333 A339L197-F335 HydrophobicContact CB-CE1 4Å; L197-F335 HydrophobicContact CB-CZ 4.17Å; G198-F335 VanDerWaalsContact CA-CE1 3.4Å; I201-F335 HydrophobicContact CD1-CE1 4.37Å; Y331-F335 WeakPolarHBondContact O-CB 3.43Å; Y331-F335 PolarHBondContact O-N 3.45Å; Y331-F335 VanDerWaalsContact O-N 3.15Å; I332-F335 PolarHBondContact O-N 2.92Å; S333-F335 PolarHBondContact O-N 3.47Å; F335-A339 VanDerWaalsContact O-CB 3.27Å; F335-A339 WeakPolarHBondContact O-CB 3.17Å; F335-A339 PolarHBondContact O-N 2.91Å
336G88Confident85.3Confident0 Ų027.4 Ų27.40%013%0.131CC..Hα-helixtrans-63.5-46.4177.400000112.6I332 S333 A339 V340I332-G336 PolarHBondContact O-N 2.84Å; S333-G336 PolarHBondContact O-N 3.12Å; G336-A339 WeakPolarHBondContact O-CB 3.35Å; G336-A339 PolarHBondContact O-N 3.39Å; G336-V340 WeakPolarHBondContact O-CG2 3.28Å; G336-V340 PolarHBondContact O-N 2.87Å
337L86.1Confident84.8Confident0 Ų023.6 Ų23.60%012%0.116CC..Hα-helixtrans-66.5-39.5178.9-74.1168.3000112.5T152 I156 P321 L324 Q325 S333 A339 V340 S341T152-L337 HydrophobicContact CG2-CD2 4.22Å; I156-L337 HydrophobicContact CD1-CB 3.62Å; I156-L337 HydrophobicContact CD1-CD2 4.48Å; I156-L337 HydrophobicContact CD1-CG 4.41Å; I156-L337 HydrophobicContact CG1-CB 3.71Å; I156-L337 HydrophobicContact CG1-CD1 3.63Å; I156-L337 HydrophobicContact CG1-CD2 4.15Å; I156-L337 HydrophobicContact CG1-CG 4.03Å; P321-L337 HydrophobicContact CB-CD2 3.46Å; P321-L337 VanDerWaalsContact CB-CD2 3.46Å; L324-L337 HydrophobicContact CB-CD1 4.35Å; L324-L337 HydrophobicContact CB-CD2 3.99Å; L324-L337 HydrophobicContact CB-CG 3.88Å; L324-L337 HydrophobicContact CD1-CD2 3.98Å; L324-L337 HydrophobicContact CD1-CG 4.05Å; Q325-L337 HydrophobicContact CB-CD1 4.46Å; S333-L337 VanDerWaalsContact O-CB 3.23Å; S333-L337 WeakPolarHBondContact O-CB 3.32Å; S333-L337 VanDerWaalsContact O-CG 3.24Å; S333-L337 WeakPolarHBondContact O-CG 3.35Å; S333-L337 PolarHBondContact O-N 2.92Å; S333-L337 WeakPolarHBondContact OG-CD1 3.47Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-V340 PolarHBondContact O-N 3.15Å; L337-S341 PolarHBondContact O-N 2.76Å; L337-S341 PolarHBondContact O-OG 2.99Å
338G84.6Confident84.4Confident6 Ų623.4 Ų23.46%0.06212%0.115CC..Hα-helixtrans-62.1-42170.800000111.8F14 F334 S341 A342F14-G338 WeakPolarHBondContact CE1-O 3.46Å; F334-G338 PolarHBondContact O-N 3.04Å; G338-S341 WeakPolarHBondContact O-CB 3.41Å; G338-S341 PolarHBondContact O-N 2.87Å; G338-A342 PolarHBondContact O-N 3.29Å
339A83.9Confident83.8Confident1 Ų122.8 Ų22.81%0.00811%0.111CC..Hα-helixtrans-64.6-42.4177.500000112.9C194 I195 F335 G336 L337 S341 A342 A343C194-A339 HydrophobicContact CB-CB 4.31Å; C194-A339 VanDerWaalsContact O-CB 3.24Å; C194-A339 WeakPolarHBondContact O-CB 3.21Å; I195-A339 WeakPolarHBondContact CG1-O 3.24Å; F335-A339 VanDerWaalsContact O-CB 3.27Å; F335-A339 WeakPolarHBondContact O-CB 3.17Å; F335-A339 PolarHBondContact O-N 2.91Å; G336-A339 WeakPolarHBondContact O-CB 3.35Å; G336-A339 PolarHBondContact O-N 3.39Å; L337-A339 VanDerWaalsContact C-N 3.34Å; A339-S341 VanDerWaalsContact C-N 3.31Å; A339-S341 PolarHBondContact O-N 2.97Å; A339-A342 WeakPolarHBondContact O-CB 3.39Å; A339-A342 PolarHBondContact O-N 3.02Å; A339-A343 PolarHBondContact O-N 2.92Å; A339-A343 VanDerWaalsContact O-N 3.09Å
340V83.1Confident83.5Confident0 Ų020.1 Ų20.10%09%0.094CC..Hα-helixtrans-58.1-46.9172173.90000110.1T152 L199 L320 L324 G336 L337 A342 A343 V344T152-V340 HydrophobicContact CG2-CB 4.27Å; T152-V340 HydrophobicContact CG2-CG1 4.02Å; L199-V340 HydrophobicContact CD2-CG2 3.73Å; L320-V340 HydrophobicContact CD2-CB 4.49Å; L320-V340 HydrophobicContact CD2-CG1 4.3Å; L320-V340 HydrophobicContact CD2-CG2 3.48Å; L320-V340 VanDerWaalsContact CD2-CG2 3.48Å; L324-V340 HydrophobicContact CD1-CG2 4.18Å; G336-V340 WeakPolarHBondContact O-CG2 3.28Å; G336-V340 PolarHBondContact O-N 2.87Å; L337-V340 PolarHBondContact O-N 3.15Å; V340-A342 PolarHBondContact O-N 3.03Å; V340-A343 WeakPolarHBondContact O-CA 3.28Å; V340-A343 WeakPolarHBondContact O-CB 3.45Å; V340-A343 PolarHBondContact O-N 3.49Å; V340-V344 HydrophobicContact CG1-CG2 4.19Å; V340-V344 WeakPolarHBondContact O-CG2 3.46Å; V340-V344 PolarHBondContact O-N 2.77Å; V340-V344 VanDerWaalsContact O-N 3.1Å
341S82.7Confident83.6Confident0 Ų016.5 Ų16.50%07%0.072CC..Hα-helixtrans-57.3-39178-570000112.1T152 L337 G338 A339 V344 M345T152-S341 WeakPolarHBondContact CG2-OG 3.46Å; L337-S341 PolarHBondContact O-N 2.76Å; L337-S341 PolarHBondContact O-OG 2.99Å; G338-S341 WeakPolarHBondContact O-CB 3.41Å; G338-S341 PolarHBondContact O-N 2.87Å; A339-S341 VanDerWaalsContact C-N 3.31Å; A339-S341 PolarHBondContact O-N 2.97Å; S341-V344 PolarHBondContact O-N 3.14Å; S341-M345 WeakPolarHBondContact O-CG 3.49Å; S341-M345 PolarHBondContact O-N 3.33Å; S341-M345 VanDerWaalsContact O-N 3.09Å
342A78.2Confident83.7Confident0 Ų07.3 Ų7.30%04%0.036CC..Hα-helixtrans-59.3-45.717200000113.4F14 I18 Q191 G338 A339 V340 V344 M345 S346F14-A342 HydrophobicContact CE1-CB 3.29Å; F14-A342 HydrophobicContact CZ-CB 3.39Å; I18-A342 HydrophobicContact CD1-CB 4.1Å; Q191-A342 HydrophobicContact CB-CB 3.88Å; Q191-A342 HydrophobicContact CG-CB 3.7Å; Q191-A342 PolarHBondContact NE2-O 3.28Å; G338-A342 PolarHBondContact O-N 3.29Å; A339-A342 WeakPolarHBondContact O-CB 3.39Å; A339-A342 PolarHBondContact O-N 3.02Å; V340-A342 PolarHBondContact O-N 3.03Å; A342-V344 VanDerWaalsContact C-N 3.28Å; A342-V344 PolarHBondContact O-N 2.96Å; A342-M345 PolarHBondContact O-N 3.44Å; A342-S346 PolarHBondContact O-N 3.47Å; A342-S346 VanDerWaalsContact O-N 3.1Å
343A78.2Confident83.5Confident0 Ų06.4 Ų6.40%03%0.031CC..Hα-helixtrans-55.5-48.2177.300000111.6I68 I195 A339 V340 M345 S346 S347I68-A343 HydrophobicContact CD1-CB 3.97Å; I195-A343 HydrophobicContact CD1-CB 3.12Å; I195-A343 HydrophobicContact CG1-CB 3.66Å; A339-A343 PolarHBondContact O-N 2.92Å; A339-A343 VanDerWaalsContact O-N 3.09Å; V340-A343 WeakPolarHBondContact O-CA 3.28Å; V340-A343 WeakPolarHBondContact O-CB 3.45Å; V340-A343 PolarHBondContact O-N 3.49Å; A343-M345 VanDerWaalsContact C-N 3.3Å; A343-M345 PolarHBondContact O-N 3.36Å; A343-S346 PolarHBondContact O-N 3.45Å; A343-S347 PolarHBondContact O-N 3.39Å; A343-S347 PolarHBondContact O-OG 3.44Å
344V77.9Confident83.5Confident0 Ų06.3 Ų6.30%03%0.031CC..Hα-helixtrans-68.1-39.3-173.6-163.40000109.2I145 A148 L149 V340 S341 A342 S347 A348I145-V344 HydrophobicContact CB-CG1 4.19Å; I145-V344 HydrophobicContact CG2-CB 4.38Å; I145-V344 HydrophobicContact CG2-CG1 3.3Å; I145-V344 WeakPolarHBondContact CG2-O 3.18Å; I145-V344 WeakPolarHBondContact O-CG1 3.37Å; A148-V344 HydrophobicContact CB-CG1 4.36Å; L149-V344 HydrophobicContact CB-CB 4.06Å; L149-V344 HydrophobicContact CB-CG1 3.57Å; L149-V344 HydrophobicContact CD1-CB 4.04Å; L149-V344 HydrophobicContact CD1-CG2 4.41Å; L149-V344 HydrophobicContact CD2-CB 4.45Å; L149-V344 HydrophobicContact CD2-CG1 4.47Å; L149-V344 HydrophobicContact CG-CB 4.39Å; L149-V344 HydrophobicContact CG-CG1 4.38Å; V340-V344 HydrophobicContact CG1-CG2 4.19Å; V340-V344 WeakPolarHBondContact O-CG2 3.46Å; V340-V344 PolarHBondContact O-N 2.77Å; V340-V344 VanDerWaalsContact O-N 3.1Å; S341-V344 PolarHBondContact O-N 3.14Å; A342-V344 VanDerWaalsContact C-N 3.28Å; A342-V344 PolarHBondContact O-N 2.96Å; V344-S347 PolarHBondContact O-N 3.08Å; V344-A348 PolarHBondContact O-N 3.18Å
345M79.1Confident83.9Confident3 Ų35.1 Ų5.12%0.0153%0.026CC..Hα-helixtrans-59.4-49.2174.2-76.2-176.4144.100113.2Y15 L149 I171 Y175 S341 A342 A343 S347 A348 D349Y15-M345 HydrophobicContact CD1-CE 4.15Å; Y15-M345 HydrophobicContact CD1-SD 3.85Å; Y15-M345 HydrophobicContact CD2-CE 3.91Å; Y15-M345 HydrophobicContact CE1-CE 3.74Å; Y15-M345 HydrophobicContact CE1-SD 3.42Å; Y15-M345 WeakPolarHBondContact CE1-SD 3.5Å; Y15-M345 HydrophobicContact CE2-CE 3.47Å; Y15-M345 VanDerWaalsContact CE2-CE 3.47Å; Y15-M345 HydrophobicContact CE2-SD 4.31Å; Y15-M345 HydrophobicContact CG-CE 4.22Å; Y15-M345 HydrophobicContact CG-SD 4.45Å; L149-M345 HydrophobicContact CD2-CG 3.69Å; I171-M345 HydrophobicContact CB-CE 4.01Å; I171-M345 HydrophobicContact CG2-CE 3.49Å; I171-M345 VanDerWaalsContact CG2-CE 3.49Å; Y175-M345 PolarHBondContact OH-O 2.86Å; Y175-M345 VanDerWaalsContact OH-O 3.09Å; S341-M345 WeakPolarHBondContact O-CG 3.49Å; S341-M345 PolarHBondContact O-N 3.33Å; S341-M345 VanDerWaalsContact O-N 3.09Å; A342-M345 PolarHBondContact O-N 3.44Å; A343-M345 VanDerWaalsContact C-N 3.3Å; A343-M345 PolarHBondContact O-N 3.36Å; M345-S347 PolarHBondContact O-N 3.44Å; M345-A348 WeakPolarHBondContact O-CB 3.49Å; M345-A348 PolarHBondContact O-N 2.9Å; M345-A348 VanDerWaalsContact O-N 3.08Å; M345-D349 PolarHBondContact O-N 3.27Å; M345-D349 VanDerWaalsContact O-N 3.15Å
346S78.8Confident84.1Confident1 Ų11 Ų11%0.0071%0.008CC..Hα-helixtrans-60.1-20.7179-176.70000115.4D188 Q191 A342 A343 D349 S350D188-S346 PolarHBondContact OD1-OG 2.85Å; Q191-S346 PolarHBondContact OE1-OG 3.27Å; A342-S346 PolarHBondContact O-N 3.47Å; A342-S346 VanDerWaalsContact O-N 3.1Å; A343-S346 PolarHBondContact O-N 3.45Å; S346-D349 WeakPolarHBondContact CA-OD1 3.37Å; S346-S350 WeakPolarHBondContact O-CB 3.32Å; S346-S350 PolarHBondContact O-OG 3.2Å
347S82.9Confident84.1Confident1 Ų11 Ų11%0.0071%0.008CC..Hα-helixtrans-92-34.6174.6-62.50000111.8A60 G64 I145 A343 V344 M345 D349 S351A60-S347 PolarHBondContact O-OG 3.04Å; G64-S347 WeakPolarHBondContact CA-OG 3.42Å; I145-S347 VanDerWaalsContact CD1-CB 3.45Å; A343-S347 PolarHBondContact O-N 3.39Å; A343-S347 PolarHBondContact O-OG 3.44Å; V344-S347 PolarHBondContact O-N 3.08Å; M345-S347 PolarHBondContact O-N 3.44Å; S347-D349 PolarHBondContact N-OD1 3.05Å; S347-S351 WeakPolarHBondContact O-CB 3.2Å; S347-S351 PolarHBondContact O-N 2.94Å
348A83.5Confident84.3Confident0 Ų01.1 Ų1.10%01%0.008CC..Hα-helixtrans-64.9-49.2179.200000111.7I145 F146 A172 V344 M345 S351 I352I145-A348 HydrophobicContact CG2-CB 3.68Å; F146-A348 HydrophobicContact CD1-CB 4.13Å; F146-A348 HydrophobicContact CE1-CB 3.55Å; F146-A348 HydrophobicContact CZ-CB 4.24Å; A172-A348 HydrophobicContact CB-CB 4.42Å; V344-A348 PolarHBondContact O-N 3.18Å; M345-A348 WeakPolarHBondContact O-CB 3.49Å; M345-A348 PolarHBondContact O-N 2.9Å; M345-A348 VanDerWaalsContact O-N 3.08Å; A348-S351 PolarHBondContact O-N 2.91Å; A348-I352 WeakPolarHBondContact O-CB 3.35Å; A348-I352 VanDerWaalsContact O-CG1 3.29Å; A348-I352 WeakPolarHBondContact O-CG1 3.37Å; A348-I352 PolarHBondContact O-N 3.18Å
349D82Confident84.7Confident0 Ų03.5 Ų3.50%02%0.017CC..Hα-helixtrans-60.6-45.7176.649.75.4000111.9Y175 T176 V184 M345 S346 S347 S351 I352 L353Y175-D349 HydrophobicContact CE2-CB 3.78Å; Y175-D349 WeakPolarHBondContact CE2-OD2 3.05Å; Y175-D349 VanDerWaalsContact CZ-OD2 3.27Å; Y175-D349 WeakPolarHBondContact OH-CB 3.49Å; Y175-D349 PolarHBondContact OH-OD2 2.83Å; T176-D349 HydrophobicContact CG2-CB 4.29Å; T176-D349 WeakPolarHBondContact OG1-CB 3.49Å; V184-D349 HydrophobicContact CG2-CB 4.31Å; M345-D349 PolarHBondContact O-N 3.27Å; M345-D349 VanDerWaalsContact O-N 3.15Å; S346-D349 WeakPolarHBondContact CA-OD1 3.37Å; S347-D349 PolarHBondContact N-OD1 3.05Å; D349-S351 VanDerWaalsContact C-N 3.34Å; D349-S351 PolarHBondContact O-N 3.39Å; D349-I352 PolarHBondContact O-N 3.15Å; D349-L353 WeakPolarHBondContact O-CB 3.24Å; D349-L353 PolarHBondContact O-N 3.32Å
350S83.8Confident85Confident4 Ų43.4 Ų3.43%0.0282%0.016CC..Hα-helixtrans-57.5-45.5174.6-69.40000111.5T61 R260 S346 S354T61-S350 WeakPolarHBondContact OG1-CB 3.23Å; T61-S350 PolarHBondContact OG1-OG 3.28Å; T61-S350 VanDerWaalsContact OG1-OG 3.04Å; R260-S350 PolarHBondContact NH2-OG 2.85Å; S346-S350 WeakPolarHBondContact O-CB 3.32Å; S346-S350 PolarHBondContact O-OG 3.2Å; S350-S354 WeakPolarHBondContact O-CB 3.45Å; S350-S354 PolarHBondContact O-N 3.09Å
351S88.3Confident85.2Confident1 Ų16 Ų61%0.0073%0.026CC..Hα-helixtrans-70.2-43.8-178.3-172.50000112.6E138 S347 A348 D349 S354 A355E138-S351 PolarHBondContact O-OG 2.82Å; E138-S351 WeakPolarHBondContact OE2-CA 3.4Å; E138-S351 WeakPolarHBondContact OE2-CB 3.27Å; E138-S351 PolarHBondContact OE2-OG 2.92Å; S347-S351 WeakPolarHBondContact O-CB 3.2Å; S347-S351 PolarHBondContact O-N 2.94Å; A348-S351 PolarHBondContact O-N 2.91Å; D349-S351 VanDerWaalsContact C-N 3.34Å; D349-S351 PolarHBondContact O-N 3.39Å; S351-S354 WeakPolarHBondContact O-CB 3.42Å; S351-S354 PolarHBondContact O-N 3Å; S351-A355 PolarHBondContact O-N 3.49Å
352I89.1Confident85.5Confident0 Ų06 Ų60%03%0.026CC..Hα-helixtrans-68.1-40.6178.5-67.8167.2000111A142 F146 A348 D349 S354 S356 V385A142-I352 HydrophobicContact CB-CG1 4.26Å; F146-I352 HydrophobicContact CE1-CD1 4.5Å; F146-I352 HydrophobicContact CE2-CD1 4.01Å; F146-I352 HydrophobicContact CZ-CD1 3.52Å; A348-I352 WeakPolarHBondContact O-CB 3.35Å; A348-I352 VanDerWaalsContact O-CG1 3.29Å; A348-I352 WeakPolarHBondContact O-CG1 3.37Å; A348-I352 PolarHBondContact O-N 3.18Å; D349-I352 PolarHBondContact O-N 3.15Å; I352-S354 VanDerWaalsContact C-N 3.35Å; I352-S356 VanDerWaalsContact O-CB 3.24Å; I352-S356 WeakPolarHBondContact O-CB 3.24Å; I352-S356 PolarHBondContact O-N 3.49Å; I352-S356 PolarHBondContact O-OG 3.39Å; I352-V385 HydrophobicContact CG2-CB 4.07Å; I352-V385 HydrophobicContact CG2-CG1 3.79Å; I352-V385 HydrophobicContact CG2-CG2 4.16Å; I352-V385 WeakPolarHBondContact CG2-O 3.4Å
353L85.8Confident86.1Confident5 Ų56.8 Ų6.83%0.0263%0.03CC..Hα-helixtrans-65.4-40.7175.2-177.463.4000111T176 L181 V184 D349 S356 S357 M381T176-L353 HydrophobicContact CG2-CB 4.38Å; L181-L353 HydrophobicContact CB-CD2 4.25Å; L181-L353 HydrophobicContact CD1-CD2 4.01Å; V184-L353 HydrophobicContact CG2-CD2 4.23Å; D349-L353 WeakPolarHBondContact O-CB 3.24Å; D349-L353 PolarHBondContact O-N 3.32Å; L353-S356 PolarHBondContact O-N 2.94Å; L353-S357 VanDerWaalsContact O-CB 3.27Å; L353-S357 WeakPolarHBondContact O-CB 3.28Å; L353-S357 PolarHBondContact O-N 2.89Å; L353-S357 PolarHBondContact O-OG 3.46Å; L353-M381 HydrophobicContact CD1-SD 3.9Å
354S88.3Confident86.7Confident0 Ų09.5 Ų9.50%04%0.04CC..Hα-helixtrans-55.7-56.9173.4170.50000111.6E138 Q255 A256 S350 S351 I352 S356 S357 M358E138-S354 VanDerWaalsContact CD-OG 3.25Å; E138-S354 WeakPolarHBondContact OE1-CB 3.46Å; E138-S354 PolarHBondContact OE1-OG 3.21Å; Q255-S354 WeakPolarHBondContact CB-OG 3.28Å; Q255-S354 WeakPolarHBondContact CG-OG 3.36Å; A256-S354 PolarHBondContact N-OG 3.13Å; S350-S354 WeakPolarHBondContact O-CB 3.45Å; S350-S354 PolarHBondContact O-N 3.09Å; S351-S354 WeakPolarHBondContact O-CB 3.42Å; S351-S354 PolarHBondContact O-N 3Å; I352-S354 VanDerWaalsContact C-N 3.35Å; S354-S356 VanDerWaalsContact C-N 3.33Å; S354-S356 PolarHBondContact O-N 2.85Å; S354-S357 PolarHBondContact O-N 3.48Å; S354-S357 PolarHBondContact O-OG 2.81Å; S354-M358 PolarHBondContact O-N 3.31Å; S354-M358 VanDerWaalsContact O-N 3.11Å
355A91.8Very high86.9Confident0 Ų010.8 Ų10.80%05%0.047CC..Hα-helixtrans-55.7-45.7176.700000112.7L135 E138 M139 S351 S357 M358 F359 F388L135-A355 HydrophobicContact CD1-CB 3.74Å; E138-A355 HydrophobicContact CB-CB 3.97Å; E138-A355 HydrophobicContact CG-CB 4.37Å; M139-A355 HydrophobicContact CE-CB 3.7Å; S351-A355 PolarHBondContact O-N 3.49Å; A355-S357 PolarHBondContact O-N 2.9Å; A355-M358 PolarHBondContact O-N 3.45Å; A355-F359 PolarHBondContact O-N 2.76Å; A355-F388 HydrophobicContact CB-CD2 3.77Å; A355-F388 HydrophobicContact CB-CE2 4.13Å
356S90.7Very high86.9Confident0 Ų013.2 Ų13.20%06%0.059CC..Hα-helixtrans-66.7-37.7-179.1-61.60000112.6I352 L353 S354 F359 A360 T384 V385I352-S356 VanDerWaalsContact O-CB 3.24Å; I352-S356 WeakPolarHBondContact O-CB 3.24Å; I352-S356 PolarHBondContact O-N 3.49Å; I352-S356 PolarHBondContact O-OG 3.39Å; L353-S356 PolarHBondContact O-N 2.94Å; S354-S356 VanDerWaalsContact C-N 3.33Å; S354-S356 PolarHBondContact O-N 2.85Å; S356-F359 PolarHBondContact O-N 3.28Å; S356-A360 VanDerWaalsContact O-CB 3.32Å; S356-A360 WeakPolarHBondContact O-CB 3.41Å; S356-A360 PolarHBondContact O-N 2.91Å; S356-T384 VanDerWaalsContact CB-OG1 3.31Å; S356-T384 WeakPolarHBondContact CB-OG1 3.22Å; S356-T384 PolarHBondContact OG-OG1 3.26Å; S356-V385 VanDerWaalsContact OG-CA 3.27Å; S356-V385 WeakPolarHBondContact OG-CA 3.24Å; S356-V385 VanDerWaalsContact OG-CG2 3.28Å; S356-V385 WeakPolarHBondContact OG-CG2 3.38Å; S356-V385 PolarHBondContact OG-N 2.97Å; S356-V385 VanDerWaalsContact OG-N 3.1Å
357S87.6Confident86.9Confident0 Ų015.1 Ų15.10%07%0.073CC..Hα-helixtrans-67.1-43.1177.775.10000112.1Q255 Q259 L353 S354 A355 F359 A360 R361Q255-S357 PolarHBondContact NE2-OG 3.36Å; Q259-S357 PolarHBondContact NE2-OG 2.91Å; L353-S357 VanDerWaalsContact O-CB 3.27Å; L353-S357 WeakPolarHBondContact O-CB 3.28Å; L353-S357 PolarHBondContact O-N 2.89Å; L353-S357 PolarHBondContact O-OG 3.46Å; S354-S357 PolarHBondContact O-N 3.48Å; S354-S357 PolarHBondContact O-OG 2.81Å; A355-S357 PolarHBondContact O-N 2.9Å; S357-F359 VanDerWaalsContact C-N 3.34Å; S357-F359 PolarHBondContact O-N 3.2Å; S357-A360 PolarHBondContact O-N 2.97Å; S357-R361 VanDerWaalsContact O-CB 3.29Å; S357-R361 WeakPolarHBondContact O-CB 3.03Å; S357-R361 PolarHBondContact O-N 3.24Å
358M90.8Very high86.9Confident1 Ų122.7 Ų22.71%0.00511%0.106CC..Hα-helixtrans-62.5-43.4176-72.6-172.8-68.400110.8L115 F131 A134 E138 Q255 S354 A355 N362L115-M358 HydrophobicContact CD1-CB 4.16Å; L115-M358 HydrophobicContact CD1-CG 4.24Å; L115-M358 HydrophobicContact CD1-SD 3.98Å; L115-M358 HydrophobicContact CG-SD 4.13Å; F131-M358 HydrophobicContact CD2-CB 3.84Å; F131-M358 HydrophobicContact CE2-CB 3.69Å; A134-M358 HydrophobicContact CB-CE 4.26Å; A134-M358 HydrophobicContact CB-SD 4.17Å; E138-M358 HydrophobicContact CG-CE 4Å; Q255-M358 HydrophobicContact CB-CE 3.83Å; Q255-M358 HydrophobicContact CB-CG 4.24Å; Q255-M358 HydrophobicContact CB-SD 3.56Å; Q255-M358 VanDerWaalsContact CB-SD 3.56Å; Q255-M358 HydrophobicContact CG-CE 3.97Å; Q255-M358 HydrophobicContact CG-CG 3.59Å; Q255-M358 HydrophobicContact CG-SD 3.62Å; S354-M358 PolarHBondContact O-N 3.31Å; S354-M358 VanDerWaalsContact O-N 3.11Å; A355-M358 PolarHBondContact O-N 3.45Å; M358-N362 WeakPolarHBondContact O-CA 3.18Å; M358-N362 VanDerWaalsContact O-CB 3.24Å; M358-N362 WeakPolarHBondContact O-CB 3.12Å; M358-N362 PolarHBondContact O-N 3.46Å; M358-N362 PolarHBondContact O-OD1 2.83Å
359F93.2Very high87Confident56 Ų5628.9 Ų28.925%0.24613%0.129CC..Iπ-helixtrans-63.6-51.4177.2-173.5-89.1000111.6F131 A355 S356 S357 R361 I363 Y364 V380 T384 F388F131-F359 AromaticContact CE1-CD2 3.81Å; F131-F359 HydrophobicContact CE1-CD2 3.81Å; F131-F359 HydrophobicContact CE2-CB 4.18Å; F131-F359 HydrophobicContact CZ-CB 3.81Å; F131-F359 AromaticContact CZ-CD2 3.73Å; F131-F359 HydrophobicContact CZ-CD2 3.73Å; F131-F359 HydrophobicContact CZ-CG 4.28Å; A355-F359 PolarHBondContact O-N 2.76Å; S356-F359 PolarHBondContact O-N 3.28Å; S357-F359 VanDerWaalsContact C-N 3.34Å; S357-F359 PolarHBondContact O-N 3.2Å; F359-R361 VanDerWaalsContact C-N 3.34Å; F359-R361 PolarHBondContact O-N 3.15Å; F359-I363 HydrophobicContact CD2-CB 3.97Å; F359-I363 HydrophobicContact CD2-CG1 4.16Å; F359-I363 HydrophobicContact CD2-CG2 4.07Å; F359-I363 HydrophobicContact CE2-CB 4.2Å; F359-I363 HydrophobicContact CE2-CG2 3.79Å; F359-I363 HydrophobicContact CG-CB 4.36Å; F359-I363 HydrophobicContact CZ-CG2 4.3Å; F359-I363 WeakPolarHBondContact O-CA 3.48Å; F359-I363 WeakPolarHBondContact O-CB 3.3Å; F359-I363 PolarHBondContact O-N 3.48Å; F359-I363 VanDerWaalsContact O-N 3.15Å; F359-Y364 PolarHBondContact O-N 3.5Å; F359-V380 HydrophobicContact CD1-CG1 4.12Å; F359-V380 HydrophobicContact CE1-CG1 4.15Å; F359-T384 HydrophobicContact CD1-CG2 3.52Å; F359-T384 HydrophobicContact CE1-CG2 3.82Å; F359-T384 HydrophobicContact CG-CG2 4.18Å; F359-F388 HydrophobicContact CB-CE2 4.03Å; F359-F388 HydrophobicContact CB-CZ 4.18Å; F359-F388 HydrophobicContact CD2-CZ 4.23Å; F359-F388 HydrophobicContact CG-CZ 4.26Å
360A90.4Very high86.9Confident0 Ų034.8 Ų34.80%016%0.157CC..Iπ-helixtrans-62.3-40.3-176.700000112.4S356 S357 Y364 Q365 I377 V380 M381S356-A360 VanDerWaalsContact O-CB 3.32Å; S356-A360 WeakPolarHBondContact O-CB 3.41Å; S356-A360 PolarHBondContact O-N 2.91Å; S357-A360 PolarHBondContact O-N 2.97Å; A360-Y364 WeakPolarHBondContact O-CB 3.42Å; A360-Q365 WeakPolarHBondContact O-CB 3.38Å; A360-Q365 PolarHBondContact O-N 3.02Å; A360-I377 HydrophobicContact CB-CG2 4.11Å; A360-V380 HydrophobicContact CB-CG1 4.17Å; A360-M381 HydrophobicContact CB-CB 4.13Å
361R85.6Confident86.9Confident55 Ų5541.9 Ų41.921%0.20820%0.195CC..Iπ-helixtrans-83.4-57.4-178.9-176.457.7165.7-146.2-6.3112.7T113 S357 F359 Q365 L366T113-R361 HydrophobicContact CG2-CB 4Å; T113-R361 HydrophobicContact CG2-CG 3.86Å; S357-R361 VanDerWaalsContact O-CB 3.29Å; S357-R361 WeakPolarHBondContact O-CB 3.03Å; S357-R361 PolarHBondContact O-N 3.24Å; F359-R361 VanDerWaalsContact C-N 3.34Å; F359-R361 PolarHBondContact O-N 3.15Å; R361-Q365 WeakPolarHBondContact O-CB 3.36Å; R361-L366 WeakPolarHBondContact O-CB 3.35Å; R361-L366 VanDerWaalsContact O-CG 3.3Å; R361-L366 WeakPolarHBondContact O-CG 3.3Å; R361-L366 PolarHBondContact O-N 2.93Å
362N89.5Confident86.6Confident0 Ų042.3 Ų42.30%020%0.198CC..Iπ-helixtrans-82.6-36.3-168.6-57.699.5000112.9T113 L115 D116 Q119 M358 S367T113-N362 WeakPolarHBondContact CB-OD1 3.16Å; T113-N362 WeakPolarHBondContact CG2-OD1 3.46Å; T113-N362 PolarHBondContact OG1-ND2 3.09Å; T113-N362 PolarHBondContact OG1-OD1 3.41Å; L115-N362 HydrophobicContact CB-CB 4.26Å; L115-N362 HydrophobicContact CD1-CB 4.12Å; D116-N362 PolarHBondContact OD1-ND2 2.88Å; Q119-N362 PolarHBondContact NE2-O 3.5Å; Q119-N362 PolarHBondContact OE1-ND2 3.47Å; M358-N362 WeakPolarHBondContact O-CA 3.18Å; M358-N362 VanDerWaalsContact O-CB 3.24Å; M358-N362 WeakPolarHBondContact O-CB 3.12Å; M358-N362 PolarHBondContact O-N 3.46Å; M358-N362 PolarHBondContact O-OD1 2.83Å; N362-S367 PolarHBondContact O-OG 2.65Å
363I91.4Very high86.4Confident16 Ų1645.3 Ų45.38%0.08222%0.219CC..Iπ-helixtrans-90.2-62.9-178.4-54.3-54.2000109.3F131 F359 S367 F368F131-I363 HydrophobicContact CB-CD1 3.71Å; F131-I363 HydrophobicContact CB-CG1 4.25Å; F131-I363 HydrophobicContact CD1-CD1 3.75Å; F131-I363 HydrophobicContact CD1-CG1 3.56Å; F131-I363 HydrophobicContact CD2-CG1 4.13Å; F131-I363 HydrophobicContact CE1-CG1 3.87Å; F131-I363 HydrophobicContact CE2-CG1 4.41Å; F131-I363 HydrophobicContact CG-CD1 3.73Å; F131-I363 HydrophobicContact CG-CG1 3.7Å; F131-I363 HydrophobicContact CZ-CG1 4.29Å; F359-I363 HydrophobicContact CD2-CB 3.97Å; F359-I363 HydrophobicContact CD2-CG1 4.16Å; F359-I363 HydrophobicContact CD2-CG2 4.07Å; F359-I363 HydrophobicContact CE2-CB 4.2Å; F359-I363 HydrophobicContact CE2-CG2 3.79Å; F359-I363 HydrophobicContact CG-CB 4.36Å; F359-I363 HydrophobicContact CZ-CG2 4.3Å; F359-I363 WeakPolarHBondContact O-CA 3.48Å; F359-I363 WeakPolarHBondContact O-CB 3.3Å; F359-I363 PolarHBondContact O-N 3.48Å; F359-I363 VanDerWaalsContact O-N 3.15Å; I363-S367 WeakPolarHBondContact O-CA 3.34Å; I363-S367 WeakPolarHBondContact O-CB 3.4Å; I363-S367 PolarHBondContact O-N 3.34Å; I363-S367 VanDerWaalsContact O-N 3.14Å; I363-F368 HydrophobicContact CG2-CD2 3.85Å; I363-F368 HydrophobicContact CG2-CE2 3.52Å; I363-F368 VanDerWaalsContact O-CD2 3.31Å; I363-F368 WeakPolarHBondContact O-CD2 3.27Å; I363-F368 PolarHBondContact O-N 3.11Å; I363-F368 VanDerWaalsContact O-N 3.15Å
364Y89.8Confident86.1Confident56 Ų5647.2 Ų47.222%0.2223%0.229CC..Iπ-helixtrans-66.4-62.5-174-169.2-94.8000112.4F359 A360 F368 R369 A372 E376 V380F359-Y364 PolarHBondContact O-N 3.5Å; A360-Y364 WeakPolarHBondContact O-CB 3.42Å; Y364-F368 CarbonylContact O-C 3.53Å; Y364-F368 WeakPolarHBondContact O-CB 3.26Å; Y364-F368 PolarHBondContact O-N 3.46Å; Y364-F368 VanDerWaalsContact O-N 3.13Å; Y364-R369 HydrophobicContact CE1-CB 4.19Å; Y364-R369 PolarHBondContact O-N 3.43Å; Y364-A372 HydrophobicContact CD1-CB 4.45Å; Y364-A372 HydrophobicContact CE1-CB 4.1Å; Y364-E376 HydrophobicContact CE1-CG 4.21Å; Y364-E376 WeakPolarHBondContact CE1-OE1 3.47Å; Y364-E376 PolarHBondContact OH-OE1 3.02Å; Y364-V380 HydrophobicContact CD1-CG1 4.4Å; Y364-V380 HydrophobicContact CD1-CG2 3.88Å; Y364-V380 HydrophobicContact CD2-CG1 4.26Å; Y364-V380 HydrophobicContact CD2-CG2 4.21Å; Y364-V380 HydrophobicContact CE1-CG2 3.72Å; Y364-V380 HydrophobicContact CE2-CG2 4.06Å; Y364-V380 HydrophobicContact CG-CG1 4Å; Y364-V380 HydrophobicContact CG-CG2 4.11Å
365Q82.6Confident85.8Confident28 Ų2855.2 Ų55.213%0.13126%0.259CS..Iπ-helixtrans-67.7-56.1-176.7-175.1-178.72400111.7A360 R361 S367 R369 Q370 I377A360-Q365 WeakPolarHBondContact O-CB 3.38Å; A360-Q365 PolarHBondContact O-N 3.02Å; R361-Q365 WeakPolarHBondContact O-CB 3.36Å; Q365-S367 PolarHBondContact O-N 3.39Å; Q365-R369 CarbonylContact O-C 3.44Å; Q365-Q370 WeakPolarHBondContact O-CA 3.37Å; Q365-Q370 PolarHBondContact O-N 2.78Å; Q365-Q370 VanDerWaalsContact O-N 3.14Å; Q365-I377 HydrophobicContact CB-CD1 4.38Å; Q365-I377 HydrophobicContact CG-CD1 4.09Å
366L79.3Confident85.6Confident54 Ų5456.9 Ų56.928%0.28327%0.267SS..Iπ-helixtrans-73.8-30.6-170.5-70.9173.7000113.8K124 R361K124-L366 VanDerWaalsContact CD-O 3.29Å; K124-L366 WeakPolarHBondContact CD-O 3.31Å; K124-L366 WeakPolarHBondContact CE-O 3.16Å; K124-L366 PolarHBondContact NZ-O 3.1Å; R361-L366 WeakPolarHBondContact O-CB 3.35Å; R361-L366 VanDerWaalsContact O-CG 3.3Å; R361-L366 WeakPolarHBondContact O-CG 3.3Å; R361-L366 PolarHBondContact O-N 2.93Å
367S78.1Confident85.2Confident41 Ų4156.9 Ų56.929%0.28727%0.267SS..Iπ-helixtrans-103.3-43.8-175.4-50.60000113.9N362 I363 Q365N362-S367 PolarHBondContact O-OG 2.65Å; I363-S367 WeakPolarHBondContact O-CA 3.34Å; I363-S367 WeakPolarHBondContact O-CB 3.4Å; I363-S367 PolarHBondContact O-N 3.34Å; I363-S367 VanDerWaalsContact O-N 3.14Å; Q365-S367 PolarHBondContact O-N 3.39Å
368F82.6Confident85Confident160 Ų16057.7 Ų57.770%0.70227%0.272SS*.Iπ-helixtrans-95.2-49.3-175.3-71.5-74.7000114.1I363 Y364I363-F368 HydrophobicContact CG2-CD2 3.85Å; I363-F368 HydrophobicContact CG2-CE2 3.52Å; I363-F368 VanDerWaalsContact O-CD2 3.31Å; I363-F368 WeakPolarHBondContact O-CD2 3.27Å; I363-F368 PolarHBondContact O-N 3.11Å; I363-F368 VanDerWaalsContact O-N 3.15Å; Y364-F368 CarbonylContact O-C 3.53Å; Y364-F368 WeakPolarHBondContact O-CB 3.26Å; Y364-F368 PolarHBondContact O-N 3.46Å; Y364-F368 VanDerWaalsContact O-N 3.13Å
369R85.7Confident84.8Confident129 Ų12965.2 Ų65.249%0.48730%0.3SS..  trans-134.783-173-164.5-178.2178.1163.7-0111.9Y364 Q365 N371 A372 E376Y364-R369 HydrophobicContact CE1-CB 4.19Å; Y364-R369 PolarHBondContact O-N 3.43Å; Q365-R369 CarbonylContact O-C 3.44Å; R369-N371 PolarHBondContact O-N 2.86Å; R369-A372 HydrophobicContact CB-CB 4.33Å; R369-A372 HydrophobicContact CG-CB 4.17Å; R369-A372 VanDerWaalsContact O-CB 3.26Å; R369-A372 WeakPolarHBondContact O-CB 3.22Å; R369-A372 PolarHBondContact O-N 3.34Å; R369-E376 WeakPolarHBondContact CD-OE1 3.42Å; R369-E376 IonicContact CZ-OE1 3.24Å; R369-E376 IonicContact CZ-OE2 2.8Å; R369-E376 VanDerWaalsContact CZ-OE2 3.24Å; R369-E376 IonicContact NE-OE1 3.43Å; R369-E376 PolarHBondContact NE-OE1 3.25Å; R369-E376 IonicContact NE-OE2 2.85Å; R369-E376 PolarHBondContact NE-OE2 3.29Å; R369-E376 VanDerWaalsContact NH1-CD 3.29Å; R369-E376 IonicContact NH1-OE1 3.66Å; R369-E376 PolarHBondContact NH1-OE1 3.3Å; R369-E376 IonicContact NH1-OE2 3.93Å; R369-E376 PolarHBondContact NH1-OE2 2.86Å; R369-E376 IonicContact NH2-OE2 3.57Å
370Q81.6Confident84.7Confident124 Ų12463.5 Ų63.558%0.57929%0.294SS*.THydrogen-bonded Turntrans-61.4-27.8-175.6-61.9176.130.600113.8Q365Q365-Q370 WeakPolarHBondContact O-CA 3.37Å; Q365-Q370 PolarHBondContact O-N 2.78Å; Q365-Q370 VanDerWaalsContact O-N 3.14Å
371N82Confident84.5Confident154 Ų15463.9 Ų63.982%0.82430%0.296SS*.THydrogen-bonded Turntrans-97.821.2178.8-59.3-24.8000112.7R369 S373R369-N371 PolarHBondContact O-N 2.86Å; N371-S373 PolarHBondContact O-N 2.98Å
372A83.8Confident84.5Confident9 Ų966 Ų667%0.07430%0.304CS..  trans-62.1134.1176.600000110.5Y364 R369 I377Y364-A372 HydrophobicContact CD1-CB 4.45Å; Y364-A372 HydrophobicContact CE1-CB 4.1Å; R369-A372 HydrophobicContact CB-CB 4.33Å; R369-A372 HydrophobicContact CG-CB 4.17Å; R369-A372 VanDerWaalsContact O-CB 3.26Å; R369-A372 WeakPolarHBondContact O-CB 3.22Å; R369-A372 PolarHBondContact O-N 3.34Å; A372-I377 HydrophobicContact CB-CG1 4.11Å
373S84.6Confident84.6Confident63 Ų6370.7 Ų70.744%0.44133%0.328SS..  trans-74.4158.7176.8700000111.5N371 R375 E376 I377N371-S373 PolarHBondContact O-N 2.98Å; S373-R375 VanDerWaalsContact C-N 3.27Å; S373-R375 PolarHBondContact O-N 2.95Å; S373-E376 PolarHBondContact N-OE2 3.4Å; S373-E376 WeakPolarHBondContact O-CA 3.08Å; S373-E376 VanDerWaalsContact O-CB 3.29Å; S373-E376 WeakPolarHBondContact O-CB 3.43Å; S373-E376 PolarHBondContact O-N 3.29Å; S373-E376 WeakPolarHBondContact OG-CB 3.18Å; S373-E376 PolarHBondContact OG-N 3.12Å; S373-I377 WeakPolarHBondContact O-CG1 3.19Å; S373-I377 PolarHBondContact O-N 3.2Å
374D79.2Confident84.7Confident45 Ų4570.3 Ų70.324%0.24133%0.327CS..Hα-helixtrans-54.6-41.6175.4-918.7000113.4R38 S39 E376 I377 V378R38-D374 PolarHBondContact N-OD2 2.91Å; R38-D374 VanDerWaalsContact N-OD2 3.14Å; S39-D374 VanDerWaalsContact CB-OD1 3.3Å; S39-D374 WeakPolarHBondContact CB-OD1 3.45Å; S39-D374 PolarHBondContact N-OD2 3.42Å; S39-D374 VanDerWaalsContact OG-CG 3.24Å; S39-D374 PolarHBondContact OG-OD1 3.32Å; S39-D374 PolarHBondContact OG-OD2 3.28Å; D374-E376 VanDerWaalsContact C-N 3.26Å; D374-E376 PolarHBondContact O-N 3.43Å; D374-I377 PolarHBondContact O-N 3.39Å; D374-V378 VanDerWaalsContact O-CG2 3.27Å; D374-V378 WeakPolarHBondContact O-CG2 3.37Å; D374-V378 PolarHBondContact O-N 3.23Å; D374-V378 VanDerWaalsContact O-N 3.1Å
375R81.1Confident84.8Confident169 Ų16967.8 Ų67.864%0.63832%0.317SS*.Hα-helixtrans-61.4-38.9176.7-78-175.9177171.11.9111.8S373 W379S373-R375 VanDerWaalsContact C-N 3.27Å; S373-R375 PolarHBondContact O-N 2.95Å; R375-W379 VanDerWaalsContact O-CD1 3.23Å; R375-W379 PolarHBondContact O-N 3.25Å; R375-W379 VanDerWaalsContact O-N 3.13Å
376E87.1Confident85.2Confident34 Ų3471.4 Ų71.416%0.15933%0.333CS..Hα-helixtrans-67.7-45.4179.9-173.8179.9171.900111.5Y364 R369 S373 D374 V378 W379 V380Y364-E376 HydrophobicContact CE1-CG 4.21Å; Y364-E376 WeakPolarHBondContact CE1-OE1 3.47Å; Y364-E376 PolarHBondContact OH-OE1 3.02Å; R369-E376 WeakPolarHBondContact CD-OE1 3.42Å; R369-E376 IonicContact CZ-OE1 3.24Å; R369-E376 IonicContact CZ-OE2 2.8Å; R369-E376 VanDerWaalsContact CZ-OE2 3.24Å; R369-E376 IonicContact NE-OE1 3.43Å; R369-E376 PolarHBondContact NE-OE1 3.25Å; R369-E376 IonicContact NE-OE2 2.85Å; R369-E376 PolarHBondContact NE-OE2 3.29Å; R369-E376 VanDerWaalsContact NH1-CD 3.29Å; R369-E376 IonicContact NH1-OE1 3.66Å; R369-E376 PolarHBondContact NH1-OE1 3.3Å; R369-E376 IonicContact NH1-OE2 3.93Å; R369-E376 PolarHBondContact NH1-OE2 2.86Å; R369-E376 IonicContact NH2-OE2 3.57Å; S373-E376 PolarHBondContact N-OE2 3.4Å; S373-E376 WeakPolarHBondContact O-CA 3.08Å; S373-E376 VanDerWaalsContact O-CB 3.29Å; S373-E376 WeakPolarHBondContact O-CB 3.43Å; S373-E376 PolarHBondContact O-N 3.29Å; S373-E376 WeakPolarHBondContact OG-CB 3.18Å; S373-E376 PolarHBondContact OG-N 3.12Å; D374-E376 VanDerWaalsContact C-N 3.26Å; D374-E376 PolarHBondContact O-N 3.43Å; E376-V378 VanDerWaalsContact C-N 3.27Å; E376-V378 PolarHBondContact O-N 2.93Å; E376-W379 PolarHBondContact O-N 3.28Å; E376-W379 VanDerWaalsContact O-N 3.13Å; E376-V380 WeakPolarHBondContact O-CG2 3.42Å; E376-V380 PolarHBondContact O-N 3.33Å
377I83.8Confident85.9Confident0 Ų073.5 Ų73.50%034%0.344CS..Hα-helixtrans-58.7-41.4177-64.3164.9000110.7A360 Q365 A372 S373 D374 V380 M381A360-I377 HydrophobicContact CB-CG2 4.11Å; Q365-I377 HydrophobicContact CB-CD1 4.38Å; Q365-I377 HydrophobicContact CG-CD1 4.09Å; A372-I377 HydrophobicContact CB-CG1 4.11Å; S373-I377 WeakPolarHBondContact O-CG1 3.19Å; S373-I377 PolarHBondContact O-N 3.2Å; D374-I377 PolarHBondContact O-N 3.39Å; I377-V380 PolarHBondContact O-N 3.12Å; I377-M381 WeakPolarHBondContact O-CB 3.07Å; I377-M381 PolarHBondContact O-N 3.12Å
378V82.7Confident86.6Confident17 Ų1772.9 Ų72.910%0.10334%0.336CS..Hα-helixtrans-64.7-40.5177.1173.10000112I42 D374 E376 M381 R382I42-V378 HydrophobicContact CD1-CB 4.36Å; I42-V378 HydrophobicContact CD1-CG1 3.92Å; I42-V378 HydrophobicContact CD1-CG2 3.42Å; I42-V378 VanDerWaalsContact CD1-CG2 3.42Å; D374-V378 VanDerWaalsContact O-CG2 3.27Å; D374-V378 WeakPolarHBondContact O-CG2 3.37Å; D374-V378 PolarHBondContact O-N 3.23Å; D374-V378 VanDerWaalsContact O-N 3.1Å; E376-V378 VanDerWaalsContact C-N 3.27Å; E376-V378 PolarHBondContact O-N 2.93Å; V378-M381 PolarHBondContact O-N 2.88Å; V378-R382 WeakPolarHBondContact O-CG 3.4Å; V378-R382 PolarHBondContact O-N 3.48Å
379W86.9Confident87Confident159 Ų15965.2 Ų65.260%0.60230%0.302SS*.Hα-helixtrans-66.9-42.5175.8-86.5112.2000112.5R375 E376 M381 R382 I383R375-W379 VanDerWaalsContact O-CD1 3.23Å; R375-W379 PolarHBondContact O-N 3.25Å; R375-W379 VanDerWaalsContact O-N 3.13Å; E376-W379 PolarHBondContact O-N 3.28Å; E376-W379 VanDerWaalsContact O-N 3.13Å; W379-M381 VanDerWaalsContact C-N 3.3Å; W379-M381 PolarHBondContact O-N 2.67Å; W379-R382 PolarHBondContact O-N 2.87Å; W379-I383 WeakPolarHBondContact O-CG1 3.38Å; W379-I383 PolarHBondContact O-N 3.25Å
380V90.6Very high87.4Confident20 Ų2061.4 Ų61.412%0.12130%0.298CS..Hα-helixtrans-58-47.1174.5171.60000110.1F359 A360 Y364 E376 I377 R382 I383 T384F359-V380 HydrophobicContact CD1-CG1 4.12Å; F359-V380 HydrophobicContact CE1-CG1 4.15Å; A360-V380 HydrophobicContact CB-CG1 4.17Å; Y364-V380 HydrophobicContact CD1-CG1 4.4Å; Y364-V380 HydrophobicContact CD1-CG2 3.88Å; Y364-V380 HydrophobicContact CD2-CG1 4.26Å; Y364-V380 HydrophobicContact CD2-CG2 4.21Å; Y364-V380 HydrophobicContact CE1-CG2 3.72Å; Y364-V380 HydrophobicContact CE2-CG2 4.06Å; Y364-V380 HydrophobicContact CG-CG1 4Å; Y364-V380 HydrophobicContact CG-CG2 4.11Å; E376-V380 WeakPolarHBondContact O-CG2 3.42Å; E376-V380 PolarHBondContact O-N 3.33Å; I377-V380 PolarHBondContact O-N 3.12Å; V380-R382 VanDerWaalsContact C-N 3.34Å; V380-R382 PolarHBondContact O-N 3.38Å; V380-I383 PolarHBondContact O-N 3.3Å; V380-T384 HydrophobicContact CG1-CG2 4.45Å; V380-T384 WeakPolarHBondContact O-CG2 3.37Å; V380-T384 PolarHBondContact O-N 2.7Å; V380-T384 PolarHBondContact O-OG1 2.61Å
381M86.1Confident87.9Confident8 Ų857.5 Ų57.54%0.03929%0.285CS..Hα-helixtrans-58.8-43.4177.7-170.3-170.9-58.300112.2I42 I43 L353 A360 I377 V378 W379 T384 V385I42-M381 HydrophobicContact CG2-CE 4.06Å; I42-M381 HydrophobicContact CG2-SD 3.75Å; I43-M381 HydrophobicContact CD1-CE 3.95Å; I43-M381 HydrophobicContact CG1-CE 3.41Å; I43-M381 VanDerWaalsContact CG1-CE 3.41Å; L353-M381 HydrophobicContact CD1-SD 3.9Å; A360-M381 HydrophobicContact CB-CB 4.13Å; I377-M381 WeakPolarHBondContact O-CB 3.07Å; I377-M381 PolarHBondContact O-N 3.12Å; V378-M381 PolarHBondContact O-N 2.88Å; W379-M381 VanDerWaalsContact C-N 3.3Å; W379-M381 PolarHBondContact O-N 2.67Å; M381-T384 WeakPolarHBondContact CA-OG1 3.35Å; M381-T384 PolarHBondContact O-N 2.89Å; M381-T384 PolarHBondContact O-OG1 3.37Å; M381-V385 VanDerWaalsContact O-CG2 3.26Å; M381-V385 WeakPolarHBondContact O-CG2 3.12Å; M381-V385 PolarHBondContact O-N 2.83Å
382R87.1Confident88.4Confident100 Ų10050.2 Ų50.238%0.37725%0.246SC..Hα-helixtrans-63.6-43.2176.9-74.4174.5172.4-174.2-3.1112.4L177 V378 W379 V380 T384 V385 F386L177-R382 HydrophobicContact CD2-CB 4.07Å; L177-R382 HydrophobicContact CD2-CG 4.48Å; L177-R382 WeakPolarHBondContact CD2-O 3.25Å; L177-R382 PolarHBondContact O-NE 3.14Å; V378-R382 WeakPolarHBondContact O-CG 3.4Å; V378-R382 PolarHBondContact O-N 3.48Å; W379-R382 PolarHBondContact O-N 2.87Å; V380-R382 VanDerWaalsContact C-N 3.34Å; V380-R382 PolarHBondContact O-N 3.38Å; R382-T384 VanDerWaalsContact C-N 3.32Å; R382-T384 PolarHBondContact O-N 2.87Å; R382-V385 PolarHBondContact O-N 2.7Å; R382-F386 PolarHBondContact O-N 2.93Å
383I91.6Very high88.7Confident98 Ų9850.7 Ų50.750%0.50325%0.248SC..Hα-helixtrans-62.5-44176.7-66.9166.2000109.9W379 V380 F386 L387W379-I383 WeakPolarHBondContact O-CG1 3.38Å; W379-I383 PolarHBondContact O-N 3.25Å; V380-I383 PolarHBondContact O-N 3.3Å; I383-F386 PolarHBondContact O-N 3.39Å; I383-L387 HydrophobicContact CG2-CD1 3.87Å; I383-L387 HydrophobicContact CG2-CG 4.37Å; I383-L387 WeakPolarHBondContact O-CG 3.23Å; I383-L387 PolarHBondContact O-N 3.12Å
384T92.7Very high89.1Confident8 Ų849.9 Ų49.95%0.04925%0.245CC..Hα-helixtrans-71.2-31.318058.30000113.4S356 F359 V380 M381 R382 F386 L387 F388S356-T384 VanDerWaalsContact CB-OG1 3.31Å; S356-T384 WeakPolarHBondContact CB-OG1 3.22Å; S356-T384 PolarHBondContact OG-OG1 3.26Å; F359-T384 HydrophobicContact CD1-CG2 3.52Å; F359-T384 HydrophobicContact CE1-CG2 3.82Å; F359-T384 HydrophobicContact CG-CG2 4.18Å; V380-T384 HydrophobicContact CG1-CG2 4.45Å; V380-T384 WeakPolarHBondContact O-CG2 3.37Å; V380-T384 PolarHBondContact O-N 2.7Å; V380-T384 PolarHBondContact O-OG1 2.61Å; M381-T384 WeakPolarHBondContact CA-OG1 3.35Å; M381-T384 PolarHBondContact O-N 2.89Å; M381-T384 PolarHBondContact O-OG1 3.37Å; R382-T384 VanDerWaalsContact C-N 3.32Å; R382-T384 PolarHBondContact O-N 2.87Å; T384-F386 VanDerWaalsContact C-N 3.29Å; T384-F386 PolarHBondContact O-N 3.19Å; T384-L387 PolarHBondContact O-N 3.32Å; T384-F388 HydrophobicContact CG2-CE2 4.42Å; T384-F388 WeakPolarHBondContact O-CB 3.22Å; T384-F388 WeakPolarHBondContact O-CD2 3.32Å; T384-F388 VanDerWaalsContact O-CG 3.23Å; T384-F388 WeakPolarHBondContact O-CG 3.37Å; T384-F388 PolarHBondContact O-N 2.7Å
385V90.9Very high89.5Confident4 Ų450.2 Ų50.22%0.02425%0.246CC..Hα-helixtrans-56.4-46.8171162.70000110.1T173 T176 L177 I352 S356 M381 R382 G389T173-V385 HydrophobicContact CG2-CG1 4.17Å; T176-V385 HydrophobicContact CG2-CG1 3.89Å; T176-V385 HydrophobicContact CG2-CG2 4.36Å; L177-V385 HydrophobicContact CD2-CB 3.74Å; L177-V385 HydrophobicContact CD2-CG1 3.55Å; L177-V385 HydrophobicContact CG-CG1 3.83Å; I352-V385 HydrophobicContact CG2-CB 4.07Å; I352-V385 HydrophobicContact CG2-CG1 3.79Å; I352-V385 HydrophobicContact CG2-CG2 4.16Å; I352-V385 WeakPolarHBondContact CG2-O 3.4Å; S356-V385 VanDerWaalsContact OG-CA 3.27Å; S356-V385 WeakPolarHBondContact OG-CA 3.24Å; S356-V385 VanDerWaalsContact OG-CG2 3.28Å; S356-V385 WeakPolarHBondContact OG-CG2 3.38Å; S356-V385 PolarHBondContact OG-N 2.97Å; S356-V385 VanDerWaalsContact OG-N 3.1Å; M381-V385 VanDerWaalsContact O-CG2 3.26Å; M381-V385 WeakPolarHBondContact O-CG2 3.12Å; M381-V385 PolarHBondContact O-N 2.83Å; R382-V385 PolarHBondContact O-N 2.7Å; V385-G389 PolarHBondContact O-N 2.82Å
386F91.3Very high89.8Confident103 Ų10342.4 Ų42.445%0.45222%0.217SC..Hα-helixtrans-66.4-46.3178.3-177.9-97.6000112.3T173 R382 I383 T384 G389 A390T173-F386 HydrophobicContact CG2-CD2 4.28Å; R382-F386 PolarHBondContact O-N 2.93Å; I383-F386 PolarHBondContact O-N 3.39Å; T384-F386 VanDerWaalsContact C-N 3.29Å; T384-F386 PolarHBondContact O-N 3.19Å; F386-G389 PolarHBondContact O-N 3.37Å; F386-A390 WeakPolarHBondContact O-CB 3.2Å; F386-A390 PolarHBondContact O-N 3.37Å
387L93.7Very high89.8Confident99 Ų9943.6 Ų43.652%0.51823%0.225SC..Hα-helixtrans-63.2-45.3-179.8-69.9173.5000112.3I383 T384 A390 S391I383-L387 HydrophobicContact CG2-CD1 3.87Å; I383-L387 HydrophobicContact CG2-CG 4.37Å; I383-L387 WeakPolarHBondContact O-CG 3.23Å; I383-L387 PolarHBondContact O-N 3.12Å; T384-L387 PolarHBondContact O-N 3.32Å; L387-A390 PolarHBondContact O-N 3.37Å; L387-S391 PolarHBondContact O-N 3.18Å; L387-S391 PolarHBondContact O-OG 3.09Å
388F93.6Very high89.6Confident27 Ų2750.7 Ų50.712%0.11826%0.261CS..Hα-helixtrans-71-37.6179.5-67.4-24.3000112.2L135 M139 A355 F359 T384 S391 A392L135-F388 HydrophobicContact CD1-CD1 4.26Å; L135-F388 HydrophobicContact CD1-CD2 4.23Å; L135-F388 HydrophobicContact CD1-CE1 3.94Å; L135-F388 HydrophobicContact CD1-CE2 3.88Å; L135-F388 HydrophobicContact CD1-CG 4.42Å; L135-F388 HydrophobicContact CD1-CZ 3.74Å; L135-F388 HydrophobicContact CD2-CE1 4.1Å; L135-F388 HydrophobicContact CD2-CZ 4.18Å; M139-F388 HydrophobicContact CE-CB 3.84Å; M139-F388 HydrophobicContact CE-CG 4.3Å; M139-F388 HydrophobicContact SD-CB 3.69Å; M139-F388 HydrophobicContact SD-CD1 4.25Å; M139-F388 HydrophobicContact SD-CG 4.11Å; A355-F388 HydrophobicContact CB-CD2 3.77Å; A355-F388 HydrophobicContact CB-CE2 4.13Å; F359-F388 HydrophobicContact CB-CE2 4.03Å; F359-F388 HydrophobicContact CB-CZ 4.18Å; F359-F388 HydrophobicContact CD2-CZ 4.23Å; F359-F388 HydrophobicContact CG-CZ 4.26Å; T384-F388 HydrophobicContact CG2-CE2 4.42Å; T384-F388 WeakPolarHBondContact O-CB 3.22Å; T384-F388 WeakPolarHBondContact O-CD2 3.32Å; T384-F388 VanDerWaalsContact O-CG 3.23Å; T384-F388 WeakPolarHBondContact O-CG 3.37Å; T384-F388 PolarHBondContact O-N 2.7Å; F388-S391 VanDerWaalsContact CA-OG 3.31Å; F388-S391 WeakPolarHBondContact CA-OG 3.41Å; F388-S391 PolarHBondContact O-N 2.92Å; F388-S391 PolarHBondContact O-OG 3.47Å; F388-A392 VanDerWaalsContact O-CB 3.31Å; F388-A392 WeakPolarHBondContact O-CB 3.44Å; F388-A392 PolarHBondContact O-N 2.85Å
389G92.1Very high89.1Confident0 Ų051.4 Ų51.40%027%0.269CS..Hα-helixtrans-60.2-45.1170.200000112V385 F386 A392 T393V385-G389 PolarHBondContact O-N 2.82Å; F386-G389 PolarHBondContact O-N 3.37Å; G389-A392 PolarHBondContact O-N 3.3Å; G389-T393 WeakPolarHBondContact O-CB 3.17Å; G389-T393 PolarHBondContact O-N 2.99Å; G389-T393 PolarHBondContact O-OG1 3.4Å
390A92.5Very high87.9Confident48 Ų4849 Ų4940%0.39728%0.277SS..Hα-helixtrans-63.8-42176.200000112.4F386 L387 T393 A394F386-A390 WeakPolarHBondContact O-CB 3.2Å; F386-A390 PolarHBondContact O-N 3.37Å; L387-A390 PolarHBondContact O-N 3.37Å; A390-T393 WeakPolarHBondContact O-CB 3.45Å; A390-T393 PolarHBondContact O-N 3.47Å; A390-A394 PolarHBondContact O-N 3.1Å
391S92.4Very high86.7Confident43 Ų4350.1 Ų50.130%0.30129%0.285SS..Hα-helixtrans-66.7-42.6176.658.70000112.5L387 F388 T393 A394 M395L387-S391 PolarHBondContact O-N 3.18Å; L387-S391 PolarHBondContact O-OG 3.09Å; F388-S391 VanDerWaalsContact CA-OG 3.31Å; F388-S391 WeakPolarHBondContact CA-OG 3.41Å; F388-S391 PolarHBondContact O-N 2.92Å; F388-S391 PolarHBondContact O-OG 3.47Å; S391-T393 VanDerWaalsContact C-N 3.29Å; S391-T393 PolarHBondContact O-N 3.49Å; S391-A394 PolarHBondContact O-N 3.43Å; S391-M395 VanDerWaalsContact O-CG 3.26Å; S391-M395 WeakPolarHBondContact O-CG 3.47Å; S391-M395 PolarHBondContact O-N 2.92Å
392A92Very high85.7Confident0 Ų050.5 Ų50.50%029%0.288CS..Hα-helixtrans-62.9-37.2175.300000111.4M139 A142 A143 F146 F388 G389 M395 A396M139-A392 HydrophobicContact SD-CB 4.41Å; A142-A392 HydrophobicContact CB-CB 3.71Å; A143-A392 WeakPolarHBondContact CB-O 3.49Å; F146-A392 HydrophobicContact CD2-CB 4.08Å; F146-A392 HydrophobicContact CE2-CB 3.97Å; F388-A392 VanDerWaalsContact O-CB 3.31Å; F388-A392 WeakPolarHBondContact O-CB 3.44Å; F388-A392 PolarHBondContact O-N 2.85Å; G389-A392 PolarHBondContact O-N 3.3Å; A392-M395 PolarHBondContact O-N 2.89Å; A392-A396 WeakPolarHBondContact O-CB 3.43Å; A392-A396 PolarHBondContact O-N 2.66Å
393T91.8Very high84.6Confident20 Ų2047.9 Ų47.912%0.12328%0.279CS..Hα-helixtrans-63.3-47.6173.6-520000111.3V165 I166 A169 G389 A390 S391 M395 A396 L397V165-T393 HydrophobicContact CG1-CG2 4.39Å; I166-T393 HydrophobicContact CG1-CG2 4.44Å; A169-T393 HydrophobicContact CB-CG2 3.9Å; A169-T393 WeakPolarHBondContact CB-OG1 3.34Å; G389-T393 WeakPolarHBondContact O-CB 3.17Å; G389-T393 PolarHBondContact O-N 2.99Å; G389-T393 PolarHBondContact O-OG1 3.4Å; A390-T393 WeakPolarHBondContact O-CB 3.45Å; A390-T393 PolarHBondContact O-N 3.47Å; S391-T393 VanDerWaalsContact C-N 3.29Å; S391-T393 PolarHBondContact O-N 3.49Å; T393-M395 VanDerWaalsContact C-N 3.28Å; T393-M395 PolarHBondContact O-N 3.12Å; T393-A396 WeakPolarHBondContact O-CB 3.36Å; T393-A396 PolarHBondContact O-N 2.89Å; T393-L397 HydrophobicContact CG2-CD1 4.29Å; T393-L397 WeakPolarHBondContact O-CG 3.33Å; T393-L397 PolarHBondContact O-N 3.17Å
394A91.5Very high83.5Confident46 Ų4643.3 Ų43.338%0.3826%0.255SS..Hα-helixtrans-59.4-41.7177.100000111.3A390 S391 L397 L398A390-A394 PolarHBondContact O-N 3.1Å; S391-A394 PolarHBondContact O-N 3.43Å; A394-L397 PolarHBondContact O-N 2.95Å; A394-L398 WeakPolarHBondContact O-CB 3.08Å; A394-L398 WeakPolarHBondContact O-CG 3.4Å; A394-L398 PolarHBondContact O-N 3.43Å; A394-L398 VanDerWaalsContact O-N 3.13Å
395M88.5Confident82.4Confident51 Ų5143.6 Ų43.625%0.25126%0.256SS..Hα-helixtrans-64.2-42.3174.9-69.4166.661.100112.1M139 F140 A143 S391 A392 T393 L397 L398 A399M139-M395 HydrophobicContact CB-CE 4.13Å; M139-M395 HydrophobicContact CB-SD 4.07Å; F140-M395 HydrophobicContact CD1-CE 3.13Å; F140-M395 HydrophobicContact CE1-CE 3.38Å; F140-M395 HydrophobicContact CG-CE 4.22Å; A143-M395 HydrophobicContact CB-CB 3.73Å; A143-M395 HydrophobicContact CB-CE 4.49Å; S391-M395 VanDerWaalsContact O-CG 3.26Å; S391-M395 WeakPolarHBondContact O-CG 3.47Å; S391-M395 PolarHBondContact O-N 2.92Å; A392-M395 PolarHBondContact O-N 2.89Å; T393-M395 VanDerWaalsContact C-N 3.28Å; T393-M395 PolarHBondContact O-N 3.12Å; M395-L397 VanDerWaalsContact C-N 3.29Å; M395-L397 PolarHBondContact O-N 2.93Å; M395-L398 PolarHBondContact O-N 3.43Å; M395-A399 VanDerWaalsContact O-CB 3.22Å; M395-A399 WeakPolarHBondContact O-CB 3.33Å; M395-A399 PolarHBondContact O-N 2.93Å
396A86.8Confident81.3Confident5 Ų543.9 Ų43.94%0.04126%0.257CS..Hα-helixtrans-60.8-37.817700000112.4A143 F146 V165 A392 T393A143-A396 HydrophobicContact CB-CB 4.3Å; A143-A396 VanDerWaalsContact O-CB 3.3Å; A143-A396 WeakPolarHBondContact O-CB 3.29Å; F146-A396 HydrophobicContact CB-CB 4Å; V165-A396 HydrophobicContact CG1-CB 3.94Å; A392-A396 WeakPolarHBondContact O-CB 3.43Å; A392-A396 PolarHBondContact O-N 2.66Å; T393-A396 WeakPolarHBondContact O-CB 3.36Å; T393-A396 PolarHBondContact O-N 2.89Å
397L86.6Confident80.3Confident60 Ų6039.3 Ų39.331%0.31424%0.237SC..Hα-helixtrans-75-25.8178.2-67.1173.5000113.6N162 V165 I166 T393 A394 M395N162-L397 HydrophobicContact CB-CD2 3.84Å; V165-L397 HydrophobicContact CB-CD2 3.97Å; V165-L397 HydrophobicContact CG1-CD2 3.91Å; V165-L397 HydrophobicContact CG1-CG 4.24Å; I166-L397 HydrophobicContact CD1-CD1 4.11Å; I166-L397 HydrophobicContact CG1-CD1 3.92Å; I166-L397 HydrophobicContact CG1-CD2 4.37Å; T393-L397 HydrophobicContact CG2-CD1 4.29Å; T393-L397 WeakPolarHBondContact O-CG 3.33Å; T393-L397 PolarHBondContact O-N 3.17Å; A394-L397 PolarHBondContact O-N 2.95Å; M395-L397 VanDerWaalsContact C-N 3.29Å; M395-L397 PolarHBondContact O-N 2.93Å
398L81.3Confident79.4Confident148 Ų14835 Ų3578%0.77521%0.214SC*.Hα-helixtrans-94.4-18.8-178.9-67.8172.7000112.9A394 M395A394-L398 WeakPolarHBondContact O-CB 3.08Å; A394-L398 WeakPolarHBondContact O-CG 3.4Å; A394-L398 PolarHBondContact O-N 3.43Å; A394-L398 VanDerWaalsContact O-N 3.13Å; M395-L398 PolarHBondContact O-N 3.43Å
399A70.6Confident78.6Confident33 Ų3333.7 Ų33.727%0.27321%0.209SC..  trans-79.6136.1-176.100000112.1M395 L405M395-A399 VanDerWaalsContact O-CB 3.22Å; M395-A399 WeakPolarHBondContact O-CB 3.33Å; M395-A399 PolarHBondContact O-N 2.93Å; A399-L405 HydrophobicContact CB-CD1 3.26Å; A399-L405 HydrophobicContact CB-CD2 4.01Å; A399-L405 HydrophobicContact CB-CG 3.62Å
400S62.5Low78Confident109 Ų10933.7 Ų33.776%0.76221%0.209SC*.SBendtrans-82-12.8178.7-45.20000113.8
401S65.9Low77.7Confident42 Ų4231.6 Ų31.629%0.29419%0.191SC..  trans-153.1127.6-176.9175.50000112.4Y403 G404 L405S401-Y403 PolarHBondContact OG-N 3.42Å; S401-G404 PolarHBondContact OG-N 3.22Å; S401-G404 VanDerWaalsContact OG-N 3.12Å; S401-L405 PolarHBondContact O-N 3.3Å
402V64.8Low77.5Confident16 Ų1630.6 Ų30.610%0.09718%0.182CC..Hα-helixtrans-60.4-46.5171.1-178.60000110.9A144 S147 A148 L405 W406A144-V402 HydrophobicContact CB-CG1 4.04Å; A144-V402 WeakPolarHBondContact O-CG1 3.26Å; S147-V402 VanDerWaalsContact OG-CG2 3.29Å; S147-V402 WeakPolarHBondContact OG-CG2 3.35Å; A148-V402 HydrophobicContact CB-CG1 4.25Å; V402-L405 PolarHBondContact O-N 3.39Å; V402-W406 PolarHBondContact O-N 3.3Å
403Y64Low77.6Confident46 Ų4630.8 Ų30.818%0.1818%0.183CC..Hα-helixtrans-64.4-41.6-178.3-172.5-95.9000112.1S401 W406 Y407S401-Y403 PolarHBondContact OG-N 3.42Å; Y403-W406 AromaticContact CD2-CE3 3.86Å; Y403-W406 HydrophobicContact CD2-CE3 3.86Å; Y403-W406 HydrophobicContact CD2-CZ3 4.07Å; Y403-W406 AromaticContact CE2-CE3 3.76Å; Y403-W406 HydrophobicContact CE2-CE3 3.76Å; Y403-W406 AromaticContact CE2-CZ3 3.52Å; Y403-W406 HydrophobicContact CE2-CZ3 3.52Å; Y403-W406 PolarHBondContact O-N 3.13Å; Y403-Y407 PolarHBondContact O-N 3.42Å
404G68.1Low77.7Confident1 Ų129.9 Ų29.91%0.0118%0.177CC..Hα-helixtrans-61.1-47.6175.700000112.5S401 W406 Y407 L408S401-G404 PolarHBondContact OG-N 3.22Å; S401-G404 VanDerWaalsContact OG-N 3.12Å; G404-W406 VanDerWaalsContact C-N 3.3Å; G404-W406 PolarHBondContact O-N 3.24Å; G404-Y407 PolarHBondContact O-N 3.13Å; G404-L408 WeakPolarHBondContact O-CB 3.3Å; G404-L408 WeakPolarHBondContact O-CD1 3.48Å; G404-L408 VanDerWaalsContact O-CG 3.26Å; G404-L408 WeakPolarHBondContact O-CG 3.45Å; G404-L408 PolarHBondContact O-N 3.43Å
405L68.9Low77.8Confident14 Ų1427.7 Ų27.77%0.07316%0.159CC..Hα-helixtrans-58.5-43.3174.4-78.3176.5000111.9F140 A143 A144 A399 S401 V402 L408 S409F140-L405 WeakPolarHBondContact CB-O 3.46Å; F140-L405 HydrophobicContact CD1-CD2 3.99Å; A143-L405 HydrophobicContact CB-CD1 3.77Å; A144-L405 HydrophobicContact CB-CB 3.94Å; A399-L405 HydrophobicContact CB-CD1 3.26Å; A399-L405 HydrophobicContact CB-CD2 4.01Å; A399-L405 HydrophobicContact CB-CG 3.62Å; S401-L405 PolarHBondContact O-N 3.3Å; V402-L405 PolarHBondContact O-N 3.39Å; L405-L408 WeakPolarHBondContact O-CB 3.23Å; L405-L408 PolarHBondContact O-N 2.83Å; L405-S409 PolarHBondContact O-N 3.19Å
406W69.3Low78Confident10 Ų1025.3 Ų25.34%0.03815%0.148CC..Hα-helixtrans-64-44.9178.2174.647.4000112.5A87 Y91 W141 A144 L247 V402 Y403 G404 L408 S409A87-W406 HydrophobicContact CB-CH2 3.39Å; A87-W406 HydrophobicContact CB-CZ2 3.82Å; Y91-W406 HydrophobicContact CD2-CZ2 4.44Å; Y91-W406 HydrophobicContact CE2-CH2 4.16Å; Y91-W406 AromaticContact CE2-CZ2 3.39Å; Y91-W406 HydrophobicContact CE2-CZ2 3.39Å; Y91-W406 AromaticContact CZ-CZ2 3.97Å; Y91-W406 PolarHBondContact OH-NE1 3.21Å; W141-W406 HydrophobicContact CE3-CB 4.4Å; W141-W406 AromaticContact CE3-CD1 3.14Å; W141-W406 HydrophobicContact CE3-CG 4.01Å; W141-W406 AromaticContact CE3-NE1 3.71Å; W141-W406 AromaticContact CH2-CD1 3.87Å; W141-W406 AromaticContact CH2-NE1 3.58Å; W141-W406 HydrophobicContact CZ3-CB 4.28Å; W141-W406 AromaticContact CZ3-CD1 2.92Å; W141-W406 HydrophobicContact CZ3-CD2 4.41Å; W141-W406 AromaticContact CZ3-CG 3.64Å; W141-W406 HydrophobicContact CZ3-CG 3.64Å; W141-W406 AromaticContact CZ3-NE1 3.11Å; A144-W406 HydrophobicContact CB-CB 4.14Å; L247-W406 HydrophobicContact CD2-CH2 4.19Å; L247-W406 HydrophobicContact CD2-CZ2 4.36Å; V402-W406 PolarHBondContact O-N 3.3Å; Y403-W406 AromaticContact CD2-CE3 3.86Å; Y403-W406 HydrophobicContact CD2-CE3 3.86Å; Y403-W406 HydrophobicContact CD2-CZ3 4.07Å; Y403-W406 AromaticContact CE2-CE3 3.76Å; Y403-W406 HydrophobicContact CE2-CE3 3.76Å; Y403-W406 AromaticContact CE2-CZ3 3.52Å; Y403-W406 HydrophobicContact CE2-CZ3 3.52Å; Y403-W406 PolarHBondContact O-N 3.13Å; G404-W406 VanDerWaalsContact C-N 3.3Å; G404-W406 PolarHBondContact O-N 3.24Å; W406-L408 VanDerWaalsContact C-N 3.32Å; W406-L408 PolarHBondContact O-N 3.17Å; W406-S409 VanDerWaalsContact O-CB 3.31Å; W406-S409 WeakPolarHBondContact O-CB 3.39Å; W406-S409 PolarHBondContact O-N 3.37Å; W406-S409 VanDerWaalsContact O-N 3.11Å; W406-S409 PolarHBondContact O-OG 3.39Å
407Y70.6Confident78.4Confident7 Ų725.2 Ų25.23%0.02715%0.146CC..Hα-helixtrans-63-43177.2-166.3-76.9000111.3N243 L246 Y403 G404 S409 S410 D411 K480N243-Y407 HydrophobicContact CB-CE2 3.96Å; N243-Y407 WeakPolarHBondContact OD1-CE2 3.25Å; N243-Y407 VanDerWaalsContact OD1-CZ 3.23Å; N243-Y407 PolarHBondContact OD1-OH 2.71Å; L246-Y407 HydrophobicContact CD1-CE1 3.61Å; L246-Y407 WeakPolarHBondContact CD1-OH 3.24Å; L246-Y407 HydrophobicContact CD2-CE1 4.21Å; L246-Y407 HydrophobicContact CD2-CE2 4.06Å; Y403-Y407 PolarHBondContact O-N 3.42Å; G404-Y407 PolarHBondContact O-N 3.13Å; Y407-S409 PolarHBondContact O-N 3.12Å; Y407-S410 PolarHBondContact O-N 2.98Å; Y407-D411 HydrophobicContact CE1-CB 4.39Å; Y407-D411 WeakPolarHBondContact O-CB 3.36Å; Y407-D411 PolarHBondContact O-N 3.32Å; Y407-K480 HydrophobicContact CE1-CD 3.9Å; Y407-K480 WeakPolarHBondContact OH-CD 3.3Å; Y407-K480 WeakPolarHBondContact OH-CE 3.46Å; Y407-K480 PolarHBondContact OH-NZ 3.46Å
408L73.6Confident78.8Confident9 Ų922.7 Ų22.75%0.04713%0.133CC..Hα-helixtrans-56.9-31.5174.4-79.5163.7000112.8F140 G404 L405 W406 D411 E451 L454F140-L408 HydrophobicContact CD2-CB 4Å; F140-L408 HydrophobicContact CE2-CB 4.32Å; F140-L408 HydrophobicContact CG-CB 4.29Å; G404-L408 WeakPolarHBondContact O-CB 3.3Å; G404-L408 WeakPolarHBondContact O-CD1 3.48Å; G404-L408 VanDerWaalsContact O-CG 3.26Å; G404-L408 WeakPolarHBondContact O-CG 3.45Å; G404-L408 PolarHBondContact O-N 3.43Å; L405-L408 WeakPolarHBondContact O-CB 3.23Å; L405-L408 PolarHBondContact O-N 2.83Å; W406-L408 VanDerWaalsContact C-N 3.32Å; W406-L408 PolarHBondContact O-N 3.17Å; L408-D411 PolarHBondContact O-N 2.87Å; L408-E451 HydrophobicContact CD2-CG 3.97Å; L408-L454 HydrophobicContact CD1-CD1 4.23Å; L408-L454 HydrophobicContact CD1-CD2 3.9Å; L408-L454 HydrophobicContact CD1-CG 3.97Å; L408-L454 HydrophobicContact CD2-CD1 3.82Å; L408-L454 HydrophobicContact CD2-CG 4.28Å
409S76.2Confident79.5Confident0 Ų015.7 Ų15.70%010%0.096CC..Hα-helixtrans-63.7-42.8-179.777.80000113G137 W254 L405 W406 Y407 I413G137-S409 VanDerWaalsContact CA-O 3.32Å; G137-S409 WeakPolarHBondContact CA-O 3.09Å; G137-S409 VanDerWaalsContact O-CB 3.31Å; G137-S409 WeakPolarHBondContact O-CB 3.32Å; W254-S409 WeakPolarHBondContact CH2-OG 3.19Å; L405-S409 PolarHBondContact O-N 3.19Å; W406-S409 VanDerWaalsContact O-CB 3.31Å; W406-S409 WeakPolarHBondContact O-CB 3.39Å; W406-S409 PolarHBondContact O-N 3.37Å; W406-S409 VanDerWaalsContact O-N 3.11Å; W406-S409 PolarHBondContact O-OG 3.39Å; Y407-S409 PolarHBondContact O-N 3.12Å; S409-I413 WeakPolarHBondContact O-CD1 3.32Å
410S80.8Confident80.7Confident0 Ų014.1 Ų14.10%08%0.083CC..Hα-helixtrans-84-15.1-178.3-68.40000113.7Y91 W254 Y407 Y414Y91-S410 PolarHBondContact OH-OG 2.62Å; W254-S410 WeakPolarHBondContact CZ3-OG 3.41Å; Y407-S410 PolarHBondContact O-N 2.98Å; S410-Y414 WeakPolarHBondContact O-CB 3.38Å; S410-Y414 PolarHBondContact O-N 3.01Å
411D86.5Confident82.3Confident3 Ų38.9 Ų8.92%0.0165%0.047CC..Hα-helixtrans-75.4-52.1-168.5173.864.8000113.7L246 Y407 L408 I413 Y414 I415 R446L246-D411 HydrophobicContact CD1-CB 3.9Å; Y407-D411 HydrophobicContact CE1-CB 4.39Å; Y407-D411 WeakPolarHBondContact O-CB 3.36Å; Y407-D411 PolarHBondContact O-N 3.32Å; L408-D411 PolarHBondContact O-N 2.87Å; D411-I413 PolarHBondContact O-N 3.43Å; D411-Y414 PolarHBondContact O-N 3.39Å; D411-I415 WeakPolarHBondContact O-CG1 3.29Å; D411-I415 PolarHBondContact O-N 2.91Å; D411-I415 WeakPolarHBondContact OD1-CD1 3.18Å; D411-R446 IonicContact OD1-CZ 3.46Å; D411-R446 IonicContact OD1-NE 3.82Å; D411-R446 PolarHBondContact OD1-NE 3.4Å; D411-R446 VanDerWaalsContact OD1-NE 3.12Å; D411-R446 IonicContact OD1-NH2 2.59Å; D411-R446 IonicContact OD2-CZ 3.23Å; D411-R446 IonicContact OD2-NE 3.12Å; D411-R446 PolarHBondContact OD2-NE 3.44Å; D411-R446 IonicContact OD2-NH2 3.08Å; D411-R446 PolarHBondContact OD2-NH2 3.38Å
412L88.5Confident83.8Confident22 Ų228.8 Ų8.812%0.1154%0.042CC..Hα-helixtrans-63.6-34.4173.3-68.3179.2000111.8P133 M136 I416 L443P133-L412 HydrophobicContact CB-CB 3.99Å; M136-L412 HydrophobicContact CB-CD1 4.11Å; M136-L412 HydrophobicContact CE-CD1 3.68Å; M136-L412 HydrophobicContact SD-CD1 3.77Å; L412-I416 HydrophobicContact CD2-CD1 4.16Å; L412-I416 VanDerWaalsContact O-CB 3.28Å; L412-I416 WeakPolarHBondContact O-CB 3.46Å; L412-I416 PolarHBondContact O-N 2.87Å; L412-L443 HydrophobicContact CD2-CD1 4.24Å
413I92.3Very high85.2Confident5 Ų58 Ų83%0.0264%0.038CC..Iπ-helixtrans-65.1-46.4177.7-70.1-178.1000110.5G250 P253 W254 S409 D411 I417 F418G250-I413 WeakPolarHBondContact O-CG2 3.19Å; P253-I413 HydrophobicContact CB-CG2 4.18Å; P253-I413 HydrophobicContact CG-CG2 3.27Å; W254-I413 HydrophobicContact CD2-CD1 4.12Å; W254-I413 HydrophobicContact CE3-CD1 3.64Å; W254-I413 HydrophobicContact CE3-CG2 4.49Å; W254-I413 HydrophobicContact CH2-CD1 3.79Å; W254-I413 HydrophobicContact CZ2-CD1 4.23Å; W254-I413 HydrophobicContact CZ3-CD1 3.48Å; W254-I413 VanDerWaalsContact CZ3-CD1 3.48Å; S409-I413 WeakPolarHBondContact O-CD1 3.32Å; D411-I413 PolarHBondContact O-N 3.43Å; I413-I417 HydrophobicContact CG2-CB 4.41Å; I413-I417 WeakPolarHBondContact O-CA 3.26Å; I413-I417 WeakPolarHBondContact O-CB 3.31Å; I413-I417 PolarHBondContact O-N 2.96Å; I413-F418 PolarHBondContact O-N 3.05Å
414Y94.4Very high86.6Confident1 Ų16.5 Ų6.50%0.0043%0.033CC..Iπ-helixtrans-63.5-43.5177.3174.9-129.2000112.5L246 F249 S410 D411 F418 P419 K480 T481 M484L246-Y414 HydrophobicContact CB-CD1 3.65Å; L246-Y414 HydrophobicContact CB-CE1 3.97Å; L246-Y414 HydrophobicContact CB-CG 4.11Å; L246-Y414 HydrophobicContact CD1-CD1 3.95Å; L246-Y414 HydrophobicContact CG-CD1 3.89Å; L246-Y414 HydrophobicContact CG-CG 4.14Å; F249-Y414 HydrophobicContact CB-CD2 3.63Å; F249-Y414 HydrophobicContact CB-CE2 3.53Å; F249-Y414 HydrophobicContact CD2-CE2 4.01Å; F249-Y414 HydrophobicContact CG-CE2 4.24Å; S410-Y414 WeakPolarHBondContact O-CB 3.38Å; S410-Y414 PolarHBondContact O-N 3.01Å; D411-Y414 PolarHBondContact O-N 3.39Å; Y414-F418 HydrophobicContact CD2-CD1 4.33Å; Y414-F418 HydrophobicContact CE2-CD1 4.39Å; Y414-P419 WeakPolarHBondContact O-CD 3.1Å; Y414-K480 HydrophobicContact CD1-CB 4.43Å; Y414-K480 HydrophobicContact CE1-CB 4.3Å; Y414-T481 PolarHBondContact OH-OG1 2.86Å; Y414-M484 HydrophobicContact CD1-CB 4.45Å; Y414-M484 HydrophobicContact CD2-CG 4.07Å; Y414-M484 HydrophobicContact CE1-CB 4.11Å; Y414-M484 HydrophobicContact CE1-CG 4.48Å; Y414-M484 HydrophobicContact CE2-CB 4.26Å; Y414-M484 HydrophobicContact CE2-CE 3.82Å; Y414-M484 HydrophobicContact CE2-CG 3.75Å; Y414-M484 HydrophobicContact CE2-SD 4.48Å; Y414-M484 WeakPolarHBondContact O-CG 3.46Å; Y414-M484 WeakPolarHBondContact OH-CE 3.46Å
415I93.2Very high87.8Confident0 Ų07.6 Ų7.60%04%0.039CC..Iπ-helixtrans-80.7-33.5-172.7-65.2169.8000112.4D411 P419 R446 K480 A483 S487D411-I415 WeakPolarHBondContact O-CG1 3.29Å; D411-I415 PolarHBondContact O-N 2.91Å; D411-I415 WeakPolarHBondContact OD1-CD1 3.18Å; I415-P419 WeakPolarHBondContact O-CG 3.17Å; I415-R446 HydrophobicContact CD1-CB 3.92Å; I415-R446 HydrophobicContact CD1-CG 3.65Å; I415-R446 HydrophobicContact CG2-CB 4.39Å; I415-K480 HydrophobicContact CD1-CB 4.13Å; I415-K480 HydrophobicContact CD1-CG 4.34Å; I415-A483 HydrophobicContact CD1-CB 4.29Å; I415-A483 HydrophobicContact CG1-CB 4.41Å; I415-A483 HydrophobicContact CG2-CB 3.81Å; I415-S487 WeakPolarHBondContact O-CB 3.49Å; I415-S487 PolarHBondContact O-OG 3.19Å
416I93.3Very high89Confident1 Ų111.5 Ų11.51%0.0056%0.055CC..Iπ-helixtrans-113.2-42.4-170.6-55.1178.2000112.4L130 P133 L412 Q420 Y439 L443L130-I416 HydrophobicContact CD2-CG2 4.02Å; P133-I416 HydrophobicContact CB-CD1 4.38Å; P133-I416 HydrophobicContact CG-CB 4.49Å; P133-I416 HydrophobicContact CG-CG2 4.09Å; L412-I416 HydrophobicContact CD2-CD1 4.16Å; L412-I416 VanDerWaalsContact O-CB 3.28Å; L412-I416 WeakPolarHBondContact O-CB 3.46Å; L412-I416 PolarHBondContact O-N 2.87Å; I416-Q420 WeakPolarHBondContact O-CG 3.33Å; I416-Q420 PolarHBondContact O-NE2 2.86Å; I416-Q420 PolarHBondContact O-OE1 3.38Å; I416-Y439 HydrophobicContact CD1-CE2 4.33Å; I416-Y439 HydrophobicContact CG2-CD2 3.26Å; I416-Y439 HydrophobicContact CG2-CE2 3.6Å; I416-Y439 HydrophobicContact CG2-CG 4.09Å; I416-L443 HydrophobicContact CD1-CB 4.18Å; I416-L443 HydrophobicContact CD1-CD1 3.97Å
417I95.1Very high90.1Very high2 Ų213.5 Ų13.51%0.017%0.066CC..Iπ-helixtrans-85.8-45.1-174-54.9-55.8000111.4M114 F118 L130 P133 P253 I413 Q420 L421M114-I417 HydrophobicContact CE-CG2 4.28Å; F118-I417 HydrophobicContact CE2-CG2 4.03Å; F118-I417 HydrophobicContact CZ-CG2 3.94Å; L130-I417 HydrophobicContact CB-CD1 4.07Å; L130-I417 HydrophobicContact CD2-CD1 3.81Å; L130-I417 WeakPolarHBondContact O-CD1 3.32Å; P133-I417 HydrophobicContact CB-CD1 4.36Å; P133-I417 HydrophobicContact CG-CD1 3.65Å; P133-I417 HydrophobicContact CG-CG1 4.3Å; P253-I417 HydrophobicContact CB-CB 4.14Å; P253-I417 HydrophobicContact CB-CG2 3.51Å; P253-I417 HydrophobicContact CG-CB 4.38Å; P253-I417 HydrophobicContact CG-CG2 4.28Å; I413-I417 HydrophobicContact CG2-CB 4.41Å; I413-I417 WeakPolarHBondContact O-CA 3.26Å; I413-I417 WeakPolarHBondContact O-CB 3.31Å; I413-I417 PolarHBondContact O-N 2.96Å; I417-Q420 PolarHBondContact O-N 3.39Å; I417-L421 WeakPolarHBondContact O-CB 3.5Å; I417-L421 PolarHBondContact O-N 2.97Å
418F96.1Very high90.9Very high8 Ų822 Ų224%0.03510%0.103CC..Hα-helixtrans-56.7-51.4-178.2177.5-110.6000113.9F102 F249 I252 P253 I413 Y414 Q420 L421 L422 M484F102-F418 AromaticContact CZ-CE2 3.95Å; F102-F418 HydrophobicContact CZ-CE2 3.95Å; F249-F418 HydrophobicContact CB-CD1 3.8Å; F249-F418 HydrophobicContact CB-CD2 4.22Å; F249-F418 HydrophobicContact CB-CE1 3.62Å; F249-F418 HydrophobicContact CB-CE2 4.07Å; F249-F418 HydrophobicContact CB-CG 4.09Å; F249-F418 HydrophobicContact CB-CZ 3.77Å; F249-F418 AromaticContact CD1-CE1 3.81Å; F249-F418 HydrophobicContact CD1-CE1 3.81Å; F249-F418 AromaticContact CD1-CE2 3.86Å; F249-F418 HydrophobicContact CD1-CE2 3.86Å; F249-F418 AromaticContact CD1-CZ 3.27Å; F249-F418 HydrophobicContact CD1-CZ 3.27Å; F249-F418 HydrophobicContact CD2-CE1 4.38Å; F249-F418 AromaticContact CE1-CZ 4Å; F249-F418 HydrophobicContact CE1-CZ 4Å; F249-F418 HydrophobicContact CG-CD1 4.37Å; F249-F418 AromaticContact CG-CE1 3.7Å; F249-F418 HydrophobicContact CG-CE1 3.7Å; F249-F418 HydrophobicContact CG-CE2 4.32Å; F249-F418 AromaticContact CG-CZ 3.66Å; F249-F418 HydrophobicContact CG-CZ 3.66Å; F249-F418 VanDerWaalsContact O-CD2 3.3Å; F249-F418 WeakPolarHBondContact O-CD2 2.92Å; I252-F418 HydrophobicContact CB-CD2 4.42Å; I252-F418 HydrophobicContact CB-CE2 4.46Å; I252-F418 HydrophobicContact CD1-CE2 3.86Å; P253-F418 HydrophobicContact CG-CB 4.01Å; I413-F418 PolarHBondContact O-N 3.05Å; Y414-F418 HydrophobicContact CD2-CD1 4.33Å; Y414-F418 HydrophobicContact CE2-CD1 4.39Å; F418-Q420 PolarHBondContact O-N 3.41Å; F418-L421 WeakPolarHBondContact O-CB 3.4Å; F418-L421 PolarHBondContact O-N 3.35Å; F418-L421 VanDerWaalsContact O-N 3.14Å; F418-L422 HydrophobicContact CD1-CD1 4.19Å; F418-L422 HydrophobicContact CE1-CD1 3.58Å; F418-L422 HydrophobicContact CE1-CG 4.28Å; F418-L422 HydrophobicContact CE2-CD1 4.33Å; F418-L422 HydrophobicContact CE2-CD2 4.31Å; F418-L422 HydrophobicContact CE2-CG 4.16Å; F418-L422 HydrophobicContact CZ-CD1 3.67Å; F418-L422 HydrophobicContact CZ-CD2 4.15Å; F418-L422 HydrophobicContact CZ-CG 3.98Å; F418-L422 PolarHBondContact O-N 3.33Å; F418-M484 HydrophobicContact CD1-CG 4.28Å; F418-M484 HydrophobicContact CD1-SD 4.13Å; F418-M484 HydrophobicContact CE1-SD 4.35Å
419P96.1Very high91.3Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-61.4-33.8178.512.9-21.6000112.8Y414 I415 L422 C423 M484 F488Y414-P419 WeakPolarHBondContact O-CD 3.1Å; I415-P419 WeakPolarHBondContact O-CG 3.17Å; P419-L422 PolarHBondContact O-N 3.13Å; P419-C423 WeakPolarHBondContact O-CB 3.41Å; P419-C423 PolarHBondContact O-N 3.01Å; P419-C423 PolarHBondContact O-SG 3.29Å; P419-C423 VanDerWaalsContact O-SG 3.38Å; P419-M484 HydrophobicContact CG-CG 4.05Å; P419-F488 HydrophobicContact CB-CB 3.74Å; P419-F488 HydrophobicContact CB-CD2 4.23Å; P419-F488 HydrophobicContact CB-CG 4.48Å
420Q95.6Very high92Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-72-38.7-179.6-82.464.1-21.400108.8F118 L130 I416 I417 F418 C423 V424 S487F118-Q420 HydrophobicContact CD1-CB 4.42Å; F118-Q420 HydrophobicContact CE1-CB 3.89Å; L130-Q420 HydrophobicContact CD2-CG 4.09Å; I416-Q420 WeakPolarHBondContact O-CG 3.33Å; I416-Q420 PolarHBondContact O-NE2 2.86Å; I416-Q420 PolarHBondContact O-OE1 3.38Å; I417-Q420 PolarHBondContact O-N 3.39Å; F418-Q420 PolarHBondContact O-N 3.41Å; Q420-C423 WeakPolarHBondContact O-CB 3.28Å; Q420-C423 PolarHBondContact O-N 3.18Å; Q420-V424 WeakPolarHBondContact O-CG2 3.5Å; Q420-V424 PolarHBondContact O-N 2.83Å; Q420-S487 PolarHBondContact NE2-OG 3.22Å; Q420-S487 PolarHBondContact OE1-OG 3.39Å
421L95.5Very high92.6Very high0 Ų023.3 Ų23.30%012%0.117CC..Hα-helixtrans-61.8-45.7175.3-177.165.7000111.4F102 M114 F118 I252 P253 F258 I417 F418 C423 V424 L425F102-L421 HydrophobicContact CD1-CD2 3.4Å; F102-L421 VanDerWaalsContact CD1-CD2 3.4Å; F102-L421 HydrophobicContact CD1-CG 3.9Å; F102-L421 HydrophobicContact CE1-CD2 3.42Å; F102-L421 VanDerWaalsContact CE1-CD2 3.42Å; F102-L421 HydrophobicContact CE1-CG 3.8Å; F102-L421 HydrophobicContact CG-CD2 4.44Å; F102-L421 HydrophobicContact CZ-CD2 4.46Å; M114-L421 HydrophobicContact CE-CB 4.16Å; M114-L421 HydrophobicContact CE-CD1 3.31Å; M114-L421 HydrophobicContact CE-CD2 3.44Å; M114-L421 VanDerWaalsContact CE-CD2 3.44Å; M114-L421 HydrophobicContact CE-CG 3.77Å; M114-L421 HydrophobicContact SD-CD1 3.96Å; F118-L421 HydrophobicContact CE1-CB 4.28Å; F118-L421 HydrophobicContact CZ-CB 3.99Å; F118-L421 HydrophobicContact CZ-CD1 4.06Å; I252-L421 HydrophobicContact CG2-CD2 4.11Å; P253-L421 HydrophobicContact CB-CD2 4.15Å; F258-L421 HydrophobicContact CE2-CD2 4.4Å; I417-L421 WeakPolarHBondContact O-CB 3.5Å; I417-L421 PolarHBondContact O-N 2.97Å; F418-L421 WeakPolarHBondContact O-CB 3.4Å; F418-L421 PolarHBondContact O-N 3.35Å; F418-L421 VanDerWaalsContact O-N 3.14Å; L421-C423 VanDerWaalsContact C-N 3.29Å; L421-C423 PolarHBondContact O-N 3.2Å; L421-V424 PolarHBondContact O-N 3.39Å; L421-L425 HydrophobicContact CD1-CD1 3.56Å; L421-L425 HydrophobicContact CD1-CG 4Å; L421-L425 HydrophobicContact CG-CD1 3.94Å; L421-L425 WeakPolarHBondContact O-CB 3.21Å; L421-L425 WeakPolarHBondContact O-CG 3.36Å; L421-L425 PolarHBondContact O-N 3.08Å
422L96.2Very high92.9Very high39 Ų3923.7 Ų23.720%0.20412%0.12CC..Hα-helixtrans-56.2-47.8174.9-72.4175.1000110.9F102 F418 P419 F426 F488F102-L422 HydrophobicContact CE1-CD2 4.06Å; F102-L422 HydrophobicContact CZ-CD2 3.62Å; F418-L422 HydrophobicContact CD1-CD1 4.19Å; F418-L422 HydrophobicContact CE1-CD1 3.58Å; F418-L422 HydrophobicContact CE1-CG 4.28Å; F418-L422 HydrophobicContact CE2-CD1 4.33Å; F418-L422 HydrophobicContact CE2-CD2 4.31Å; F418-L422 HydrophobicContact CE2-CG 4.16Å; F418-L422 HydrophobicContact CZ-CD1 3.67Å; F418-L422 HydrophobicContact CZ-CD2 4.15Å; F418-L422 HydrophobicContact CZ-CG 3.98Å; F418-L422 PolarHBondContact O-N 3.33Å; P419-L422 PolarHBondContact O-N 3.13Å; L422-F426 HydrophobicContact CD2-CD2 4.07Å; L422-F426 HydrophobicContact CD2-CE2 4.22Å; L422-F426 PolarHBondContact O-N 2.62Å; L422-F488 HydrophobicContact CB-CD2 4.21Å; L422-F488 HydrophobicContact CB-CE2 3.75Å; L422-F488 HydrophobicContact CD1-CD2 4.24Å; L422-F488 HydrophobicContact CD1-CE2 4.12Å
423C95.1Very high93Very high0 Ų024.4 Ų24.40%012%0.122CC..Hα-helixtrans-61.8-42.5179-800000113.2Y122 P419 Q420 L421 I427 T430 N491Y122-C423 WeakPolarHBondContact OH-CB 3.47Å; P419-C423 WeakPolarHBondContact O-CB 3.41Å; P419-C423 PolarHBondContact O-N 3.01Å; P419-C423 PolarHBondContact O-SG 3.29Å; P419-C423 VanDerWaalsContact O-SG 3.38Å; Q420-C423 WeakPolarHBondContact O-CB 3.28Å; Q420-C423 PolarHBondContact O-N 3.18Å; L421-C423 VanDerWaalsContact C-N 3.29Å; L421-C423 PolarHBondContact O-N 3.2Å; C423-I427 PolarHBondContact O-N 3.34Å; C423-T430 HydrophobicContact CB-CG2 3.89Å; C423-T430 PolarHBondContact O-OG1 3.36Å; C423-N491 WeakPolarHBondContact CB-ND2 3.35Å
424V93.6Very high93.1Very high14 Ų1424.2 Ų24.29%0.08512%0.12CC..Hα-helixtrans-72.7-37.3-178.5172.50000112.7P117 F118 L121 Y122 Q420 L421P117-V424 HydrophobicContact CB-CG1 3.64Å; P117-V424 WeakPolarHBondContact O-CG1 3.44Å; F118-V424 HydrophobicContact CD1-CB 4.44Å; F118-V424 HydrophobicContact CD1-CG2 3.64Å; F118-V424 HydrophobicContact CE1-CG2 4.03Å; L121-V424 HydrophobicContact CB-CG1 4.07Å; L121-V424 HydrophobicContact CB-CG2 4.34Å; L121-V424 HydrophobicContact CD2-CB 4.08Å; L121-V424 HydrophobicContact CD2-CG1 3.97Å; L121-V424 HydrophobicContact CD2-CG2 3.82Å; Y122-V424 HydrophobicContact CD2-CG2 4Å; Y122-V424 HydrophobicContact CE1-CG2 4.12Å; Y122-V424 HydrophobicContact CE2-CG2 3.25Å; Y122-V424 WeakPolarHBondContact OH-CG2 3.4Å; Q420-V424 WeakPolarHBondContact O-CG2 3.5Å; Q420-V424 PolarHBondContact O-N 2.83Å; L421-V424 PolarHBondContact O-N 3.39Å
425L92.5Very high93.1Very high24 Ų2424.1 Ų24.113%0.12612%0.12CC..Hα-helixtrans-87.7-37.3-173.4-66.4-178.5000113.3F102 M106 P117 L421F102-L425 HydrophobicContact CD1-CD1 3.77Å; F102-L425 HydrophobicContact CE1-CD1 4.41Å; M106-L425 HydrophobicContact CG-CD1 4.1Å; M106-L425 HydrophobicContact SD-CD1 3.99Å; M106-L425 HydrophobicContact SD-CD2 4.05Å; P117-L425 HydrophobicContact CB-CD2 4.35Å; L421-L425 HydrophobicContact CD1-CD1 3.56Å; L421-L425 HydrophobicContact CD1-CG 4Å; L421-L425 HydrophobicContact CG-CD1 3.94Å; L421-L425 WeakPolarHBondContact O-CB 3.21Å; L421-L425 WeakPolarHBondContact O-CG 3.36Å; L421-L425 PolarHBondContact O-N 3.08Å
426F94.1Very high93.2Very high96 Ų9626.7 Ų26.742%0.42113%0.133SC..Hα-helixtrans-116.3-23.3-168.7-54.3-69.6000114.3F101 F102 L422F101-F426 HydrophobicContact CB-CZ 4.22Å; F101-F426 WeakPolarHBondContact O-CZ 3.13Å; F102-F426 AromaticContact CD1-CE2 3.95Å; F102-F426 HydrophobicContact CD1-CE2 3.95Å; F102-F426 HydrophobicContact CD1-CZ 4.28Å; F102-F426 AromaticContact CE1-CE2 3.54Å; F102-F426 HydrophobicContact CE1-CE2 3.54Å; F102-F426 HydrophobicContact CE1-CZ 4.27Å; F102-F426 AromaticContact CZ-CE2 3.87Å; F102-F426 HydrophobicContact CZ-CE2 3.87Å; L422-F426 HydrophobicContact CD2-CD2 4.07Å; L422-F426 HydrophobicContact CD2-CE2 4.22Å; L422-F426 PolarHBondContact O-N 2.62Å
427I93.3Very high93.3Very high52 Ų5227.4 Ų27.427%0.26714%0.139SC..  trans-102.1114.9-177.1-49.3-59.8000111.1C423 T430 F488 I492 Y496C423-I427 PolarHBondContact O-N 3.34Å; I427-T430 HydrophobicContact CB-CG2 3.88Å; I427-T430 HydrophobicContact CG2-CG2 3.74Å; I427-F488 HydrophobicContact CG1-CE2 4.48Å; I427-F488 HydrophobicContact CG1-CZ 4.48Å; I427-I492 HydrophobicContact CG1-CD1 4.27Å; I427-I492 HydrophobicContact CG2-CD1 4.47Å; I427-I492 HydrophobicContact CG2-CG1 4.34Å; I427-Y496 HydrophobicContact CG2-CE2 4.31Å
428K86.3Confident93.4Very high185 Ų18527.3 Ų27.380%0.80414%0.139SC*.THydrogen-bonded Turntrans-75.8136.7177.1-65.1-176.5-179.6178.90110.8Y496K428-Y496 PolarHBondContact O-OH 3.37Å
429G82.5Confident93.3Very high30 Ų3027.9 Ų27.931%0.30914%0.141SC..THydrogen-bonded Turntrans91.57174.900000115.1
430T91.4Very high93.3Very high1 Ų132 Ų321%0.00616%0.163CC..  trans-69.5144.7168.461.30000110.8L121 Y122 C423 I427 S495L121-T430 WeakPolarHBondContact CD2-OG1 3.38Å; Y122-T430 PolarHBondContact OH-OG1 3.03Å; C423-T430 HydrophobicContact CB-CG2 3.89Å; C423-T430 PolarHBondContact O-OG1 3.36Å; I427-T430 HydrophobicContact CB-CG2 3.88Å; I427-T430 HydrophobicContact CG2-CG2 3.74Å; T430-S495 WeakPolarHBondContact CA-OG 3.45Å
431N92.3Very high93.2Very high6 Ų637.3 Ų37.33%0.03219%0.186CC..  trans-141.6175.9-174.86547.5000112Y433 G434 A435 S495 A516N431-Y433 VanDerWaalsContact C-N 3.33Å; N431-Y433 PolarHBondContact O-N 2.99Å; N431-Y433 WeakPolarHBondContact OD1-CB 3.34Å; N431-Y433 PolarHBondContact OD1-N 3.38Å; N431-Y433 VanDerWaalsContact OD1-N 3.14Å; N431-G434 PolarHBondContact O-N 3.44Å; N431-G434 PolarHBondContact OD1-N 3.32Å; N431-A435 PolarHBondContact O-N 3.15Å; N431-S495 PolarHBondContact N-OG 3.28Å; N431-S495 WeakPolarHBondContact ND2-CA 3.29Å; N431-S495 PolarHBondContact ND2-O 3.02Å; N431-A516 HydrophobicContact CB-CB 4.35Å
432T92.7Very high93.1Very high12 Ų1237.3 Ų37.37%0.07419%0.186CC..Hα-helixtrans-63.2-34.5-174.2-45.70000113.3Y122 M126 A435 I436 L514Y122-T432 WeakPolarHBondContact CA-OG1 3.35Å; Y122-T432 VanDerWaalsContact O-CG2 3.28Å; Y122-T432 WeakPolarHBondContact O-CG2 3.27Å; Y122-T432 PolarHBondContact O-OG1 2.99Å; M126-T432 HydrophobicContact CB-CG2 3.94Å; M126-T432 HydrophobicContact CG-CG2 4.43Å; T432-A435 PolarHBondContact O-N 2.96Å; T432-I436 HydrophobicContact CG2-CD1 4.13Å; T432-I436 WeakPolarHBondContact O-CG1 3.33Å; T432-I436 PolarHBondContact O-N 3.06Å; T432-L514 HydrophobicContact CG2-CD1 3.94Å
433Y92.6Very high92.9Very high37 Ų3737.6 Ų37.615%0.14519%0.187CC..Hα-helixtrans-64-46.4177.5-68.4-71.7000111.6N431 A435 I436 A437 A498 F502 L511 D512 F513 L514 A516N431-Y433 VanDerWaalsContact C-N 3.33Å; N431-Y433 PolarHBondContact O-N 2.99Å; N431-Y433 WeakPolarHBondContact OD1-CB 3.34Å; N431-Y433 PolarHBondContact OD1-N 3.38Å; N431-Y433 VanDerWaalsContact OD1-N 3.14Å; Y433-A435 VanDerWaalsContact C-N 3.35Å; Y433-I436 PolarHBondContact O-N 3Å; Y433-A437 WeakPolarHBondContact O-CB 3.42Å; Y433-A437 PolarHBondContact O-N 2.83Å; Y433-A498 HydrophobicContact CD2-CB 4.21Å; Y433-A498 HydrophobicContact CG-CB 4.46Å; Y433-F502 HydrophobicContact CD2-CE2 4.43Å; Y433-F502 AromaticContact CE2-CE2 3.88Å; Y433-F502 HydrophobicContact CE2-CE2 3.88Å; Y433-F502 HydrophobicContact CE2-CZ 4.41Å; Y433-L511 PolarHBondContact OH-O 3.37Å; Y433-D512 WeakPolarHBondContact CE2-OD1 3.41Å; Y433-D512 WeakPolarHBondContact OH-CA 3.3Å; Y433-D512 PolarHBondContact OH-OD1 2.96Å; Y433-F513 HydrophobicContact CE1-CD1 4.3Å; Y433-F513 AromaticContact CE1-CE1 3.6Å; Y433-F513 HydrophobicContact CE1-CE1 3.6Å; Y433-F513 HydrophobicContact CE1-CE2 4.47Å; Y433-F513 AromaticContact CE1-CZ 3.7Å; Y433-F513 HydrophobicContact CE1-CZ 3.7Å; Y433-F513 WeakPolarHBondContact OH-CD1 3.48Å; Y433-F513 PolarHBondContact OH-N 3.06Å; Y433-L514 HydrophobicContact CD1-CD1 3.69Å; Y433-L514 HydrophobicContact CE1-CB 4.33Å; Y433-L514 HydrophobicContact CE1-CD1 3.51Å; Y433-L514 HydrophobicContact CE1-CG 3.92Å; Y433-L514 HydrophobicContact CE2-CB 4.26Å; Y433-L514 HydrophobicContact CG-CD1 4.28Å; Y433-L514 PolarHBondContact OH-N 3.42Å; Y433-A516 HydrophobicContact CD2-CB 3.84Å; Y433-A516 HydrophobicContact CE2-CB 3.78Å
434G93.9Very high92.7Very high0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-63.4-41.6174.400000112.3N431 I436 A437 G438 N491 S495N431-G434 PolarHBondContact O-N 3.44Å; N431-G434 PolarHBondContact OD1-N 3.32Å; G434-I436 PolarHBondContact O-N 2.87Å; G434-A437 PolarHBondContact O-N 2.56Å; G434-G438 PolarHBondContact O-N 3.31Å; G434-N491 VanDerWaalsContact C-OD1 3.26Å; G434-N491 WeakPolarHBondContact CA-O 3.49Å; G434-N491 VanDerWaalsContact O-CA 3.3Å; G434-N491 WeakPolarHBondContact O-CA 3.29Å; G434-S495 WeakPolarHBondContact CA-OG 3.43Å
435A94.6Very high92.6Very high0 Ų043 Ų430%021%0.214CC..Hα-helixtrans-60.4-42.6177.900000112.7Y122 M126 N431 T432 Y433 Y439 N491Y122-A435 HydrophobicContact CD1-CB 4.04Å; Y122-A435 HydrophobicContact CD2-CB 3.61Å; Y122-A435 HydrophobicContact CE1-CB 4.06Å; Y122-A435 HydrophobicContact CE2-CB 3.61Å; Y122-A435 HydrophobicContact CG-CB 3.82Å; M126-A435 HydrophobicContact CE-CB 3.94Å; M126-A435 WeakPolarHBondContact CE-O 3.1Å; M126-A435 HydrophobicContact CG-CB 4.03Å; M126-A435 HydrophobicContact SD-CB 4.23Å; N431-A435 PolarHBondContact O-N 3.15Å; T432-A435 PolarHBondContact O-N 2.96Å; Y433-A435 VanDerWaalsContact C-N 3.35Å; A435-Y439 WeakPolarHBondContact O-CB 3.46Å; A435-Y439 PolarHBondContact O-N 3.29Å; A435-N491 PolarHBondContact N-OD1 3.16Å
436I95.3Very high92.5Very high53 Ų5342.5 Ų42.527%0.27221%0.211SC..Hα-helixtrans-66.4-46176-68.4168.9000110.8M126 T432 Y433 G434 Y439 L440 L514M126-I436 HydrophobicContact CE-CG1 4.49Å; M126-I436 HydrophobicContact SD-CG1 3.5Å; M126-I436 VanDerWaalsContact SD-CG1 3.5Å; T432-I436 HydrophobicContact CG2-CD1 4.13Å; T432-I436 WeakPolarHBondContact O-CG1 3.33Å; T432-I436 PolarHBondContact O-N 3.06Å; Y433-I436 PolarHBondContact O-N 3Å; G434-I436 PolarHBondContact O-N 2.87Å; I436-Y439 WeakPolarHBondContact O-CB 3.32Å; I436-Y439 PolarHBondContact O-N 2.93Å; I436-L440 HydrophobicContact CG2-CD1 3.89Å; I436-L440 HydrophobicContact CG2-CG 4.32Å; I436-L440 WeakPolarHBondContact O-CG 3.26Å; I436-L440 PolarHBondContact O-N 2.56Å; I436-L514 HydrophobicContact CD1-CD1 3.55Å
437A95.4Very high92.1Very high16 Ų1642.2 Ų42.213%0.13221%0.213CC..Hα-helixtrans-61.2-48.8178.800000110.9Y433 G434 Y439 L440 F441 T490 V494Y433-A437 WeakPolarHBondContact O-CB 3.42Å; Y433-A437 PolarHBondContact O-N 2.83Å; G434-A437 PolarHBondContact O-N 2.56Å; A437-Y439 VanDerWaalsContact C-N 3.32Å; A437-Y439 PolarHBondContact O-N 2.8Å; A437-L440 PolarHBondContact O-N 2.77Å; A437-F441 VanDerWaalsContact O-CD2 3.28Å; A437-F441 WeakPolarHBondContact O-CD2 3.38Å; A437-F441 PolarHBondContact O-N 3.02Å; A437-T490 HydrophobicContact CB-CG2 3.68Å; A437-V494 HydrophobicContact CB-CB 4.1Å; A437-V494 HydrophobicContact CB-CG1 3.96Å; A437-V494 HydrophobicContact CB-CG2 3.91Å
438G95.4Very high91.8Very high0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-55.9-45.7175.700000112.4G434 L440 G442 S487G434-G438 PolarHBondContact O-N 3.31Å; G438-L440 PolarHBondContact O-N 3.25Å; G438-G442 PolarHBondContact O-N 2.85Å; G438-S487 WeakPolarHBondContact CA-O 3.49Å; G438-S487 WeakPolarHBondContact O-CB 3.08Å; G438-S487 PolarHBondContact O-OG 3.45Å; G438-S487 VanDerWaalsContact O-OG 3.12Å
439Y95.1Very high91.7Very high21 Ų2132 Ų328%0.08217%0.168CC..Hα-helixtrans-56.7-51174.9-177.8-75.8000112.2M126 L129 L130 P133 I416 A435 I436 A437 L443M126-Y439 HydrophobicContact CE-CD2 4.21Å; M126-Y439 HydrophobicContact CE-CG 4.38Å; L129-Y439 HydrophobicContact CD1-CE1 4.37Å; L129-Y439 HydrophobicContact CD2-CD1 4.14Å; L129-Y439 HydrophobicContact CD2-CD2 4.22Å; L129-Y439 HydrophobicContact CD2-CE1 4.27Å; L129-Y439 HydrophobicContact CD2-CE2 4.32Å; L129-Y439 HydrophobicContact CD2-CG 4.16Å; L129-Y439 HydrophobicContact CG-CD2 4.25Å; L129-Y439 HydrophobicContact CG-CE1 4.33Å; L129-Y439 HydrophobicContact CG-CE2 3.91Å; L130-Y439 HydrophobicContact CD2-CD2 3.94Å; L130-Y439 HydrophobicContact CD2-CE2 4.45Å; P133-Y439 HydrophobicContact CG-CE2 4.03Å; I416-Y439 HydrophobicContact CD1-CE2 4.33Å; I416-Y439 HydrophobicContact CG2-CD2 3.26Å; I416-Y439 HydrophobicContact CG2-CE2 3.6Å; I416-Y439 HydrophobicContact CG2-CG 4.09Å; A435-Y439 WeakPolarHBondContact O-CB 3.46Å; A435-Y439 PolarHBondContact O-N 3.29Å; I436-Y439 WeakPolarHBondContact O-CB 3.32Å; I436-Y439 PolarHBondContact O-N 2.93Å; A437-Y439 VanDerWaalsContact C-N 3.32Å; A437-Y439 PolarHBondContact O-N 2.8Å; Y439-L443 HydrophobicContact CE1-CD2 3.82Å; Y439-L443 VanDerWaalsContact O-CB 3.24Å; Y439-L443 WeakPolarHBondContact O-CB 3.45Å; Y439-L443 PolarHBondContact O-N 2.87Å
440L95.1Very high91.6Very high87 Ų8730.6 Ų30.646%0.45516%0.155SC..Hα-helixtrans-66-48.1-176.5-70.6174.8000111.9I436 A437 G438 L443 I444I436-L440 HydrophobicContact CG2-CD1 3.89Å; I436-L440 HydrophobicContact CG2-CG 4.32Å; I436-L440 WeakPolarHBondContact O-CG 3.26Å; I436-L440 PolarHBondContact O-N 2.56Å; A437-L440 PolarHBondContact O-N 2.77Å; G438-L440 PolarHBondContact O-N 3.25Å; L440-L443 PolarHBondContact O-N 3.4Å; L440-I444 WeakPolarHBondContact O-CB 3.39Å; L440-I444 WeakPolarHBondContact O-CD1 3.29Å; L440-I444 WeakPolarHBondContact O-CG1 3.34Å; L440-I444 PolarHBondContact O-N 3.43Å
441F94.3Very high91Very high111 Ų11130.9 Ų30.949%0.48716%0.156SC..Hα-helixtrans-65.5-41.4179.6-82.2-83.9000111.8A437 L445 T486 T490A437-F441 VanDerWaalsContact O-CD2 3.28Å; A437-F441 WeakPolarHBondContact O-CD2 3.38Å; A437-F441 PolarHBondContact O-N 3.02Å; F441-L445 WeakPolarHBondContact O-CB 3.48Å; F441-L445 WeakPolarHBondContact O-CG 3.21Å; F441-L445 PolarHBondContact O-N 3.24Å; F441-T486 HydrophobicContact CB-CG2 4.35Å; F441-T490 HydrophobicContact CD2-CG2 3.74Å; F441-T490 HydrophobicContact CE2-CG2 4.32Å; F441-T490 HydrophobicContact CG-CG2 4.33Å
442G93.2Very high90Very high0 Ų032.6 Ų32.60%017%0.167CC..Hα-helixtrans-60.3-47.7174.400000112.2G438 R446G438-G442 PolarHBondContact O-N 2.85Å; G442-R446 VanDerWaalsContact O-CB 3.3Å; G442-R446 WeakPolarHBondContact O-CB 3.4Å; G442-R446 PolarHBondContact O-N 3.49Å
443L91.6Very high88.9Confident45 Ų4536.8 Ų36.824%0.23618%0.182CC..Hα-helixtrans-65.8-42.4179.4-175.465.9000112.3L412 I416 Y439 L440 R446 I447L412-L443 HydrophobicContact CD2-CD1 4.24Å; I416-L443 HydrophobicContact CD1-CB 4.18Å; I416-L443 HydrophobicContact CD1-CD1 3.97Å; Y439-L443 HydrophobicContact CE1-CD2 3.82Å; Y439-L443 VanDerWaalsContact O-CB 3.24Å; Y439-L443 WeakPolarHBondContact O-CB 3.45Å; Y439-L443 PolarHBondContact O-N 2.87Å; L440-L443 PolarHBondContact O-N 3.4Å; L443-R446 PolarHBondContact O-N 3.08Å; L443-I447 HydrophobicContact CD1-CD1 3.89Å; L443-I447 HydrophobicContact CD1-CG1 4.21Å; L443-I447 HydrophobicContact CD2-CD1 4.44Å; L443-I447 HydrophobicContact CG-CD1 3.81Å; L443-I447 HydrophobicContact CG-CG1 4.44Å; L443-I447 WeakPolarHBondContact O-CG1 3.36Å; L443-I447 PolarHBondContact O-N 3.48Å
444I92.4Very high87.8Confident96 Ų9639.6 Ų39.649%0.49220%0.2SC..Hα-helixtrans-61.5-50.8177.7-72165.1000110.2L440 R446 I447 T448L440-I444 WeakPolarHBondContact O-CB 3.39Å; L440-I444 WeakPolarHBondContact O-CD1 3.29Å; L440-I444 WeakPolarHBondContact O-CG1 3.34Å; L440-I444 PolarHBondContact O-N 3.43Å; I444-R446 PolarHBondContact O-N 3.26Å; I444-I447 PolarHBondContact O-N 3.09Å; I444-T448 HydrophobicContact CG2-CG2 4.2Å; I444-T448 WeakPolarHBondContact O-CB 3.33Å; I444-T448 WeakPolarHBondContact O-CG2 3.49Å; I444-T448 PolarHBondContact O-N 2.75Å; I444-T448 PolarHBondContact O-OG1 3.42Å
445L91.1Very high86.7Confident31 Ų3147.4 Ų47.416%0.16223%0.23CC..Hα-helixtrans-60.9-36.7178.4-72.1179.2000111.7F441 T448 G449 I460 A483 T486F441-L445 WeakPolarHBondContact O-CB 3.48Å; F441-L445 WeakPolarHBondContact O-CG 3.21Å; F441-L445 PolarHBondContact O-N 3.24Å; L445-T448 WeakPolarHBondContact CA-OG1 3.48Å; L445-T448 PolarHBondContact O-OG1 2.89Å; L445-G449 PolarHBondContact O-N 3.13Å; L445-G449 VanDerWaalsContact O-N 3.09Å; L445-I460 HydrophobicContact CD2-CD1 4.39Å; L445-A483 HydrophobicContact CB-CB 3.86Å; L445-T486 HydrophobicContact CD1-CG2 3.64Å
446R89.3Confident85.9Confident13 Ų1350.7 Ų50.75%0.04925%0.247CC..Hα-helixtrans-66.5-49.5177.6178.848.6-175100.92.2113.2D411 I415 G442 L443 I444 G449 G450 E451D411-R446 IonicContact OD1-CZ 3.46Å; D411-R446 IonicContact OD1-NE 3.82Å; D411-R446 PolarHBondContact OD1-NE 3.4Å; D411-R446 VanDerWaalsContact OD1-NE 3.12Å; D411-R446 IonicContact OD1-NH2 2.59Å; D411-R446 IonicContact OD2-CZ 3.23Å; D411-R446 IonicContact OD2-NE 3.12Å; D411-R446 PolarHBondContact OD2-NE 3.44Å; D411-R446 IonicContact OD2-NH2 3.08Å; D411-R446 PolarHBondContact OD2-NH2 3.38Å; I415-R446 HydrophobicContact CD1-CB 3.92Å; I415-R446 HydrophobicContact CD1-CG 3.65Å; I415-R446 HydrophobicContact CG2-CB 4.39Å; G442-R446 VanDerWaalsContact O-CB 3.3Å; G442-R446 WeakPolarHBondContact O-CB 3.4Å; G442-R446 PolarHBondContact O-N 3.49Å; L443-R446 PolarHBondContact O-N 3.08Å; I444-R446 PolarHBondContact O-N 3.26Å; R446-G449 PolarHBondContact O-N 2.9Å; R446-G450 PolarHBondContact NH1-O 3.43Å; R446-E451 IonicContact CZ-OE2 3.12Å; R446-E451 IonicContact NH1-OE2 2.61Å; R446-E451 IonicContact NH2-OE2 3.88Å; R446-E451 PolarHBondContact NH2-OE2 3.48Å
447I87.5Confident85Confident90 Ų9054.3 Ų54.346%0.46226%0.263SS..Hα-helixtrans-65.3-43.8-179.6-67.5171.4000110.1L443 I444 G449 G450 L456L443-I447 HydrophobicContact CD1-CD1 3.89Å; L443-I447 HydrophobicContact CD1-CG1 4.21Å; L443-I447 HydrophobicContact CD2-CD1 4.44Å; L443-I447 HydrophobicContact CG-CD1 3.81Å; L443-I447 HydrophobicContact CG-CG1 4.44Å; L443-I447 WeakPolarHBondContact O-CG1 3.36Å; L443-I447 PolarHBondContact O-N 3.48Å; I444-I447 PolarHBondContact O-N 3.09Å; I447-G449 PolarHBondContact O-N 3.27Å; I447-G450 PolarHBondContact O-N 3.49Å; I447-L456 WeakPolarHBondContact O-CD2 3.35Å
448T86.9Confident84.4Confident21 Ų2153.8 Ų53.813%0.12926%0.258CS..Hα-helixtrans-68.1-21.9-179.354.90000113.7I444 L445 G450 L459 I460I444-T448 HydrophobicContact CG2-CG2 4.2Å; I444-T448 WeakPolarHBondContact O-CB 3.33Å; I444-T448 WeakPolarHBondContact O-CG2 3.49Å; I444-T448 PolarHBondContact O-N 2.75Å; I444-T448 PolarHBondContact O-OG1 3.42Å; L445-T448 WeakPolarHBondContact CA-OG1 3.48Å; L445-T448 PolarHBondContact O-OG1 2.89Å; T448-G450 PolarHBondContact O-N 3.46Å; T448-L459 HydrophobicContact CG2-CB 4.33Å; T448-L459 HydrophobicContact CG2-CD2 4.03Å; T448-L459 PolarHBondContact O-N 2.93Å; T448-I460 HydrophobicContact CG2-CD1 4.47Å; T448-I460 PolarHBondContact O-N 2.94Å; T448-I460 WeakPolarHBondContact OG1-CD1 3.34Å
449G83.2Confident83.8Confident1 Ų160.1 Ų60.11%0.0129%0.291CS..THydrogen-bonded Turntrans-70.7-12.2173.900000115L445 R446 I447 P458 Q475L445-G449 PolarHBondContact O-N 3.13Å; L445-G449 VanDerWaalsContact O-N 3.09Å; R446-G449 PolarHBondContact O-N 2.9Å; I447-G449 PolarHBondContact O-N 3.27Å; G449-P458 WeakPolarHBondContact O-CB 3.45Å; G449-Q475 VanDerWaalsContact O-CG 3.3Å; G449-Q475 WeakPolarHBondContact O-CG 3.33Å; G449-Q475 PolarHBondContact O-NE2 3.09Å; G449-Q475 VanDerWaalsContact O-NE2 3.13Å
450G81.3Confident83.2Confident2 Ų262.2 Ų62.22%0.02130%0.303CS..  trans82.3162.6-178.300000113.7R446 I447 T448 L456R446-G450 PolarHBondContact NH1-O 3.43Å; I447-G450 PolarHBondContact O-N 3.49Å; T448-G450 PolarHBondContact O-N 3.46Å; G450-L456 CarbonylContact C-O 3.54Å; G450-L456 VanDerWaalsContact CA-O 3.24Å; G450-L456 WeakPolarHBondContact CA-O 3.46Å
451E78.8Confident82.6Confident7 Ų764.1 Ų64.13%0.03331%0.305CS..BIsolated β-bridgetrans-146.8103.6172.1-178.247.2-104.800110.5L408 R446 Y453 L454 Y455 L456L408-E451 HydrophobicContact CD2-CG 3.97Å; R446-E451 IonicContact CZ-OE2 3.12Å; R446-E451 IonicContact NH1-OE2 2.61Å; R446-E451 IonicContact NH2-OE2 3.88Å; R446-E451 PolarHBondContact NH2-OE2 3.48Å; E451-Y453 VanDerWaalsContact C-N 3.26Å; E451-Y453 PolarHBondContact O-N 3.36Å; E451-Y453 WeakPolarHBondContact OE1-CD2 3.33Å; E451-Y453 PolarHBondContact OE1-N 2.84Å; E451-Y453 VanDerWaalsContact OE1-N 3.12Å; E451-L454 HydrophobicContact CB-CB 4.27Å; E451-L454 HydrophobicContact CB-CD1 4.48Å; E451-L454 HydrophobicContact CG-CB 4.03Å; E451-L454 HydrophobicContact CG-CD1 4.03Å; E451-L454 HydrophobicContact CG-CG 3.87Å; E451-L454 PolarHBondContact O-N 3.34Å; E451-L454 VanDerWaalsContact O-N 3.12Å; E451-Y455 PolarHBondContact O-N 3.34Å; E451-L456 HydrophobicContact CB-CB 4.24Å; E451-L456 PolarHBondContact N-O 3.26Å; E451-L456 PolarHBondContact O-N 2.98Å
452P71.5Confident82.1Confident42 Ų4260.1 Ų60.127%0.27329%0.287SS..G310 helixtrans-53.5-39.5179.6-29.236.2000113.9L454 Y455 I472 I474P452-L454 VanDerWaalsContact C-N 3.25Å; P452-L454 PolarHBondContact O-N 3.27Å; P452-Y455 PolarHBondContact O-N 3.08Å; P452-Y455 VanDerWaalsContact O-N 3.14Å; P452-I472 HydrophobicContact CB-CG2 3.78Å; P452-I472 HydrophobicContact CG-CG2 4.2Å; P452-I474 HydrophobicContact CG-CG1 4.27Å
453Y68.6Low81.4Confident100 Ų10064.8 Ų64.839%0.39232%0.318SS..G310 helixtrans-69.4-22.5-177.7-62.7-66.7000113.8E451E451-Y453 VanDerWaalsContact C-N 3.26Å; E451-Y453 PolarHBondContact O-N 3.36Å; E451-Y453 WeakPolarHBondContact OE1-CD2 3.33Å; E451-Y453 PolarHBondContact OE1-N 2.84Å; E451-Y453 VanDerWaalsContact OE1-N 3.12Å
454L70Confident80.5Confident96 Ų9664.9 Ų64.950%0.50333%0.329SS..G310 helixtrans-102.48.7176.9-63.2178.8000112.3L408 E451 P452 L456L408-L454 HydrophobicContact CD1-CD1 4.23Å; L408-L454 HydrophobicContact CD1-CD2 3.9Å; L408-L454 HydrophobicContact CD1-CG 3.97Å; L408-L454 HydrophobicContact CD2-CD1 3.82Å; L408-L454 HydrophobicContact CD2-CG 4.28Å; E451-L454 HydrophobicContact CB-CB 4.27Å; E451-L454 HydrophobicContact CB-CD1 4.48Å; E451-L454 HydrophobicContact CG-CB 4.03Å; E451-L454 HydrophobicContact CG-CD1 4.03Å; E451-L454 HydrophobicContact CG-CG 3.87Å; E451-L454 PolarHBondContact O-N 3.34Å; E451-L454 VanDerWaalsContact O-N 3.12Å; P452-L454 VanDerWaalsContact C-N 3.25Å; P452-L454 PolarHBondContact O-N 3.27Å; L454-L456 HydrophobicContact CB-CB 4.43Å; L454-L456 PolarHBondContact O-N 3.01Å; L454-L456 VanDerWaalsContact O-N 3.15Å
455Y71.1Confident79.7Confident164 Ų16461.9 Ų61.964%0.64332%0.317SS*.THydrogen-bonded Turntrans53.728.6-172.5-58.8-83.1000113.2E451 P452 Q457 I472E451-Y455 PolarHBondContact O-N 3.34Å; P452-Y455 PolarHBondContact O-N 3.08Å; P452-Y455 VanDerWaalsContact O-N 3.14Å; Y455-Q457 PolarHBondContact O-N 2.99Å; Y455-I472 HydrophobicContact CD1-CD1 3.64Å; Y455-I472 HydrophobicContact CE1-CD1 3.76Å
456L76Confident79Confident68 Ų6863.7 Ų63.736%0.35632%0.322SS..BIsolated β-bridgetrans-91107.5-178.1-164.7143.5000109I447 G450 E451 L454I447-L456 WeakPolarHBondContact O-CD2 3.35Å; G450-L456 CarbonylContact C-O 3.54Å; G450-L456 VanDerWaalsContact CA-O 3.24Å; G450-L456 WeakPolarHBondContact CA-O 3.46Å; E451-L456 HydrophobicContact CB-CB 4.24Å; E451-L456 PolarHBondContact N-O 3.26Å; E451-L456 PolarHBondContact O-N 2.98Å; L454-L456 HydrophobicContact CB-CB 4.43Å; L454-L456 PolarHBondContact O-N 3.01Å; L454-L456 VanDerWaalsContact O-N 3.15Å
457Q77.8Confident78.3Confident130 Ų13066.5 Ų66.561%0.60734%0.341SS*.  trans-68.6141.2-178.9-70.4-173-23.200111.5Y455Y455-Q457 PolarHBondContact O-N 2.99Å
458P81.9Confident77.4Confident5 Ų565.1 Ų65.13%0.03234%0.335CS..  trans-67.4135176.227.4-32.7000111.2G449 Y461 Y473G449-P458 WeakPolarHBondContact O-CB 3.45Å; P458-Y461 HydrophobicContact CG-CD1 4.3Å; P458-Y461 HydrophobicContact CG-CE1 3.98Å; P458-Y461 PolarHBondContact O-OH 3.32Å; P458-Y473 VanDerWaalsContact CG-CB 3.44Å; P458-Y473 HydrophobicContact CG-CG 4.23Å
459L83.4Confident76.3Confident133 Ų13372.9 Ų72.970%0.69637%0.37SS*.SBendtrans-86.3-36.7167.6-173.168.5000110.6T448T448-L459 HydrophobicContact CG2-CB 4.33Å; T448-L459 HydrophobicContact CG2-CD2 4.03Å; T448-L459 PolarHBondContact O-N 2.93Å
460I82.4Confident75.3Confident64 Ų6478.6 Ų78.633%0.32840%0.4SS..SBendtrans-100.4114.5175.1-61.4175.8000108.4L445 T448 Y462 Q475L445-I460 HydrophobicContact CD2-CD1 4.39Å; T448-I460 HydrophobicContact CG2-CD1 4.47Å; T448-I460 PolarHBondContact O-N 2.94Å; T448-I460 WeakPolarHBondContact OG1-CD1 3.34Å; I460-Y462 HydrophobicContact CB-CE2 3.99Å; I460-Y462 HydrophobicContact CG2-CD1 4.31Å; I460-Y462 HydrophobicContact CG2-CD2 3.95Å; I460-Y462 HydrophobicContact CG2-CE1 3.98Å; I460-Y462 HydrophobicContact CG2-CE2 3.59Å; I460-Y462 HydrophobicContact CG2-CG 4.29Å; I460-Y462 PolarHBondContact O-N 2.87Å; I460-Q475 PolarHBondContact O-NE2 3.3Å
461Y83.1Confident74.5Confident127 Ų12784.2 Ų84.250%0.49843%0.43SS..  trans-86.8102.6174-61.5-90.5000108.5P458 Y473P458-Y461 HydrophobicContact CG-CD1 4.3Å; P458-Y461 HydrophobicContact CG-CE1 3.98Å; P458-Y461 PolarHBondContact O-OH 3.32Å; Y461-Y473 HydrophobicContact CD1-CD1 4.2Å; Y461-Y473 HydrophobicContact CD1-CE1 4.44Å; Y461-Y473 HydrophobicContact CD1-CG 4.46Å; Y461-Y473 AromaticContact CE1-CD1 3.87Å; Y461-Y473 HydrophobicContact CE1-CD1 3.87Å; Y461-Y473 AromaticContact CE1-CD2 3.94Å; Y461-Y473 HydrophobicContact CE1-CD2 3.94Å; Y461-Y473 AromaticContact CE1-CE1 4Å; Y461-Y473 HydrophobicContact CE1-CE1 4Å; Y461-Y473 HydrophobicContact CE1-CE2 4.06Å; Y461-Y473 AromaticContact CE1-CG 3.83Å; Y461-Y473 HydrophobicContact CE1-CG 3.83Å
462Y83Confident74Confident28 Ų2885 Ų8511%0.1143%0.434CS..  trans-77.2158.8176.1-69.4-84.2000110.6I460 G464 C465 F477 F479 L482I460-Y462 HydrophobicContact CB-CE2 3.99Å; I460-Y462 HydrophobicContact CG2-CD1 4.31Å; I460-Y462 HydrophobicContact CG2-CD2 3.95Å; I460-Y462 HydrophobicContact CG2-CE1 3.98Å; I460-Y462 HydrophobicContact CG2-CE2 3.59Å; I460-Y462 HydrophobicContact CG2-CG 4.29Å; I460-Y462 PolarHBondContact O-N 2.87Å; Y462-G464 PolarHBondContact O-N 2.95Å; Y462-C465 WeakPolarHBondContact O-CB 3.42Å; Y462-C465 PolarHBondContact O-N 3.27Å; Y462-F477 AromaticContact CD1-CD1 3.68Å; Y462-F477 HydrophobicContact CD1-CD1 3.68Å; Y462-F477 HydrophobicContact CD1-CE1 4.02Å; Y462-F477 HydrophobicContact CD1-CG 4.25Å; Y462-F477 HydrophobicContact CE1-CD1 4.36Å; Y462-F477 HydrophobicContact CE1-CE1 4.37Å; Y462-F477 HydrophobicContact CG-CB 4.35Å; Y462-F477 AromaticContact CG-CD1 3.91Å; Y462-F477 HydrophobicContact CG-CD1 3.91Å; Y462-F477 HydrophobicContact CG-CG 4.3Å; Y462-F479 HydrophobicContact CD2-CB 3.95Å; Y462-F479 HydrophobicContact CE2-CB 3.88Å; Y462-F479 HydrophobicContact CG-CB 4.44Å; Y462-L482 HydrophobicContact CE1-CD2 3.68Å
463P78.7Confident74.1Confident98 Ų9886.9 Ų86.964%0.63644%0.436SS*.THydrogen-bonded Turntrans-53.7131.7-179.3-26.735.2000112.5
464G71.9Confident74.4Confident47 Ų4784 Ų8449%0.48543%0.427SS..THydrogen-bonded Turntrans83.113.9-18000000115.1Y462 R476Y462-G464 PolarHBondContact O-N 2.95Å; G464-R476 WeakPolarHBondContact O-CB 3.33Å; G464-R476 VanDerWaalsContact O-CD 3.32Å; G464-R476 WeakPolarHBondContact O-CD 3.39Å; G464-R476 VanDerWaalsContact O-CG 3.3Å; G464-R476 WeakPolarHBondContact O-CG 3.17Å
465C76.7Confident74.9Confident33 Ų3380.1 Ų80.122%0.22341%0.406CS..  trans-63.8134.7170-170.60000111.1Y462 I474Y462-C465 WeakPolarHBondContact O-CB 3.42Å; Y462-C465 PolarHBondContact O-N 3.27Å; C465-I474 WeakPolarHBondContact CA-O 3.36Å; C465-I474 PolarHBondContact SG-O 3.48Å
466Y75.9Confident75.4Confident69 Ų6975.3 Ų75.327%0.27139%0.387SS..EExtended strand (participates in β ladder)trans-134.2145.4178.867.8-81.3000110.5Y473 I474 R476Y466-Y473 WeakPolarHBondContact O-CA 3.45Å; Y466-I474 HydrophobicContact CD1-CB 4.4Å; Y466-I474 HydrophobicContact CE1-CB 3.83Å; Y466-I474 HydrophobicContact CE1-CG2 3.85Å; Y466-I474 HydrophobicContact CE2-CB 4.24Å; Y466-I474 HydrophobicContact CE2-CD1 4.13Å; Y466-I474 PolarHBondContact N-O 2.84Å; Y466-I474 VanDerWaalsContact N-O 3.16Å; Y466-I474 PolarHBondContact O-N 3.48Å; Y466-R476 HydrophobicContact CD1-CG 3.85Å; Y466-R476 HydrophobicContact CE1-CG 3.67Å
467P75.6Confident75.9Confident71 Ų7175.1 Ų75.146%0.46138%0.384SS..EExtended strand (participates in β ladder)trans-75.7132.7171.630.9-32000110Y473P467-Y473 HydrophobicContact CB-CD1 4.35Å; P467-Y473 HydrophobicContact CB-CE1 4.17Å; P467-Y473 HydrophobicContact CG-CE1 4.49Å
468D68.6Low76.4Confident62 Ų6270.4 Ų70.433%0.33236%0.364SS..  trans-75.4170.3167-170.924.9000111.2N470 N471 I472 I474D468-N470 PolarHBondContact O-N 2.93Å; D468-N471 WeakPolarHBondContact O-CA 3.31Å; D468-N471 PolarHBondContact O-N 3.48Å; D468-I472 VanDerWaalsContact CB-O 3.26Å; D468-I472 WeakPolarHBondContact CB-O 3.26Å; D468-I472 PolarHBondContact N-O 3.39Å; D468-I474 HydrophobicContact CB-CD1 3.8Å; D468-I474 HydrophobicContact CB-CG1 4.22Å
469E62.7Low76.7Confident184 Ų18470.8 Ų70.886%0.8637%0.365SS*.THydrogen-bonded Turntrans-53.8-25.7-178.4-63.5-173.5168.800113.4
470N62.6Low77.1Confident121 Ų12165.4 Ų65.465%0.64734%0.336SS*.THydrogen-bonded Turntrans-93.215.1176.8-64.2-53000114.2D468 I472D468-N470 PolarHBondContact O-N 2.93Å; N470-I472 HydrophobicContact CB-CD1 4.11Å; N470-I472 HydrophobicContact CB-CG1 4.14Å; N470-I472 PolarHBondContact O-N 2.96Å
471N64.1Low77.6Confident119 Ų11963.3 Ų63.364%0.63633%0.327SS*.SBendtrans57.325.6-170.8-66.9-55.7000114.1D468D468-N471 WeakPolarHBondContact O-CA 3.31Å; D468-N471 PolarHBondContact O-N 3.48Å
472I68.6Low78.2Confident23 Ų2360.1 Ų60.112%0.11832%0.318CS..PPolyproline II helixtrans-91.4121.5173.9-59174.8000107.6P452 Y455 D468 N470 I474P452-I472 HydrophobicContact CB-CG2 3.78Å; P452-I472 HydrophobicContact CG-CG2 4.2Å; Y455-I472 HydrophobicContact CD1-CD1 3.64Å; Y455-I472 HydrophobicContact CE1-CD1 3.76Å; D468-I472 VanDerWaalsContact CB-O 3.26Å; D468-I472 WeakPolarHBondContact CB-O 3.26Å; D468-I472 PolarHBondContact N-O 3.39Å; N470-I472 HydrophobicContact CB-CD1 4.11Å; N470-I472 HydrophobicContact CB-CG1 4.14Å; N470-I472 PolarHBondContact O-N 2.96Å; I472-I474 PolarHBondContact O-N 3.19Å
473Y72.7Confident78.7Confident83 Ų8358.8 Ų58.833%0.32531%0.312SS..EExtended strand (participates in β ladder)trans-76.5121-178.4-78.3-84.5000111.4P458 Y461 Y466 P467P458-Y473 VanDerWaalsContact CG-CB 3.44Å; P458-Y473 HydrophobicContact CG-CG 4.23Å; Y461-Y473 HydrophobicContact CD1-CD1 4.2Å; Y461-Y473 HydrophobicContact CD1-CE1 4.44Å; Y461-Y473 HydrophobicContact CD1-CG 4.46Å; Y461-Y473 AromaticContact CE1-CD1 3.87Å; Y461-Y473 HydrophobicContact CE1-CD1 3.87Å; Y461-Y473 AromaticContact CE1-CD2 3.94Å; Y461-Y473 HydrophobicContact CE1-CD2 3.94Å; Y461-Y473 AromaticContact CE1-CE1 4Å; Y461-Y473 HydrophobicContact CE1-CE1 4Å; Y461-Y473 HydrophobicContact CE1-CE2 4.06Å; Y461-Y473 AromaticContact CE1-CG 3.83Å; Y461-Y473 HydrophobicContact CE1-CG 3.83Å; Y466-Y473 WeakPolarHBondContact O-CA 3.45Å; P467-Y473 HydrophobicContact CB-CD1 4.35Å; P467-Y473 HydrophobicContact CB-CE1 4.17Å; P467-Y473 HydrophobicContact CG-CE1 4.49Å
474I74.8Confident79.5Confident40 Ų4054.7 Ų54.721%0.20529%0.285CS..EExtended strand (participates in β ladder)trans-99.8130.4176.2-59.4176.1000109.2P452 C465 Y466 D468 I472P452-I474 HydrophobicContact CG-CG1 4.27Å; C465-I474 WeakPolarHBondContact CA-O 3.36Å; C465-I474 PolarHBondContact SG-O 3.48Å; Y466-I474 HydrophobicContact CD1-CB 4.4Å; Y466-I474 HydrophobicContact CE1-CB 3.83Å; Y466-I474 HydrophobicContact CE1-CG2 3.85Å; Y466-I474 HydrophobicContact CE2-CB 4.24Å; Y466-I474 HydrophobicContact CE2-CD1 4.13Å; Y466-I474 PolarHBondContact N-O 2.84Å; Y466-I474 VanDerWaalsContact N-O 3.16Å; Y466-I474 PolarHBondContact O-N 3.48Å; D468-I474 HydrophobicContact CB-CD1 3.8Å; D468-I474 HydrophobicContact CB-CG1 4.22Å; I472-I474 PolarHBondContact O-N 3.19Å
475Q81Confident80.7Confident13 Ų1355.7 Ų55.76%0.06128%0.279CS..PPolyproline II helixtrans-86.9125.6178.2-58.2-73.30.700110.3G449 I460 F479G449-Q475 VanDerWaalsContact O-CG 3.3Å; G449-Q475 WeakPolarHBondContact O-CG 3.33Å; G449-Q475 PolarHBondContact O-NE2 3.09Å; G449-Q475 VanDerWaalsContact O-NE2 3.13Å; I460-Q475 PolarHBondContact O-NE2 3.3Å; Q475-F479 HydrophobicContact CB-CD1 3.79Å; Q475-F479 HydrophobicContact CB-CE1 3.99Å; Q475-F479 HydrophobicContact CG-CD1 4.16Å; Q475-F479 HydrophobicContact CG-CE1 4.22Å
476R82.6Confident81.6Confident63 Ų6355.9 Ų55.924%0.23828%0.279CS..  trans-89.3-29.2171.1-68.9-175.2179.3172.80.1113.4Y238 T239 G464 Y466Y238-R476 WeakPolarHBondContact CB-O 3.27Å; T239-R476 WeakPolarHBondContact OG1-CA 3.47Å; T239-R476 PolarHBondContact OG1-O 3.15Å; T239-R476 VanDerWaalsContact OG1-O 3.13Å; G464-R476 WeakPolarHBondContact O-CB 3.33Å; G464-R476 VanDerWaalsContact O-CD 3.32Å; G464-R476 WeakPolarHBondContact O-CD 3.39Å; G464-R476 VanDerWaalsContact O-CG 3.3Å; G464-R476 WeakPolarHBondContact O-CG 3.17Å; Y466-R476 HydrophobicContact CD1-CG 3.85Å; Y466-R476 HydrophobicContact CE1-CG 3.67Å
477F85.3Confident82.6Confident65 Ų6552.6 Ų52.629%0.28527%0.266SS..SBendtrans-63.5141.9176.7-176.6-92.2000110.5Y462 F479 L482Y462-F477 AromaticContact CD1-CD1 3.68Å; Y462-F477 HydrophobicContact CD1-CD1 3.68Å; Y462-F477 HydrophobicContact CD1-CE1 4.02Å; Y462-F477 HydrophobicContact CD1-CG 4.25Å; Y462-F477 HydrophobicContact CE1-CD1 4.36Å; Y462-F477 HydrophobicContact CE1-CE1 4.37Å; Y462-F477 HydrophobicContact CG-CB 4.35Å; Y462-F477 AromaticContact CG-CD1 3.91Å; Y462-F477 HydrophobicContact CG-CD1 3.91Å; Y462-F477 HydrophobicContact CG-CG 4.3Å; F477-F479 HydrophobicContact CD1-CB 4.03Å; F477-F479 PolarHBondContact O-N 3.22Å; F477-L482 HydrophobicContact CE1-CB 3.93Å; F477-L482 HydrophobicContact CE1-CD2 3.64Å; F477-L482 HydrophobicContact CE1-CG 4.32Å; F477-L482 HydrophobicContact CZ-CD2 4.19Å
478P89Confident83.6Confident31 Ų3150.9 Ų50.920%0.20125%0.252CS..  trans-76.165.5-177.933.4-34.5000111.1D242 K480 T481 L482D242-P478 HydrophobicContact CB-CB 3.68Å; D242-P478 VanDerWaalsContact OD2-CA 3.27Å; D242-P478 WeakPolarHBondContact OD2-CA 3.3Å; P478-K480 VanDerWaalsContact C-N 3.31Å; P478-K480 PolarHBondContact O-N 3.39Å; P478-T481 PolarHBondContact O-N 3.2Å; P478-L482 PolarHBondContact O-N 3.01Å; P478-L482 VanDerWaalsContact O-N 3.08Å
479F89.1Confident84.9Confident13 Ų1353 Ų536%0.05726%0.258CS..Hα-helixtrans-71.7-25.6-17079.9-84.2000112.4D242 Y462 Q475 F477 L482 A483D242-F479 PolarHBondContact OD2-N 3.23Å; Y462-F479 HydrophobicContact CD2-CB 3.95Å; Y462-F479 HydrophobicContact CE2-CB 3.88Å; Y462-F479 HydrophobicContact CG-CB 4.44Å; Q475-F479 HydrophobicContact CB-CD1 3.79Å; Q475-F479 HydrophobicContact CB-CE1 3.99Å; Q475-F479 HydrophobicContact CG-CD1 4.16Å; Q475-F479 HydrophobicContact CG-CE1 4.22Å; F477-F479 HydrophobicContact CD1-CB 4.03Å; F477-F479 PolarHBondContact O-N 3.22Å; F479-L482 PolarHBondContact O-N 2.8Å; F479-A483 WeakPolarHBondContact O-CB 3.37Å; F479-A483 PolarHBondContact O-N 2.86Å
480K91Very high86.5Confident20 Ų2045.3 Ų45.39%0.08722%0.224CC..Hα-helixtrans-70.4-44.1178.3-60.6169.4-179.4149.60110D242 L246 Y407 Y414 I415 P478 L482 A483 M484D242-K480 WeakPolarHBondContact OD2-CB 3.47Å; D242-K480 PolarHBondContact OD2-N 3.38Å; L246-K480 HydrophobicContact CD1-CD 3.78Å; Y407-K480 HydrophobicContact CE1-CD 3.9Å; Y407-K480 WeakPolarHBondContact OH-CD 3.3Å; Y407-K480 WeakPolarHBondContact OH-CE 3.46Å; Y407-K480 PolarHBondContact OH-NZ 3.46Å; Y414-K480 HydrophobicContact CD1-CB 4.43Å; Y414-K480 HydrophobicContact CE1-CB 4.3Å; I415-K480 HydrophobicContact CD1-CB 4.13Å; I415-K480 HydrophobicContact CD1-CG 4.34Å; P478-K480 VanDerWaalsContact C-N 3.31Å; P478-K480 PolarHBondContact O-N 3.39Å; K480-L482 VanDerWaalsContact C-N 3.35Å; K480-A483 PolarHBondContact O-N 2.9Å; K480-M484 WeakPolarHBondContact O-CB 3.41Å; K480-M484 PolarHBondContact O-N 2.94Å
481T93.6Very high88.1Confident20 Ų2039.5 Ų39.512%0.12319%0.193CC..Hα-helixtrans-63.7-40.2172.6-630000111.3D242 L245 Y414 P478 A483 M484 L485D242-T481 WeakPolarHBondContact OD1-CB 3.39Å; D242-T481 PolarHBondContact OD1-N 2.91Å; D242-T481 PolarHBondContact OD1-OG1 3.26Å; L245-T481 HydrophobicContact CD1-CG2 4.05Å; Y414-T481 PolarHBondContact OH-OG1 2.86Å; P478-T481 PolarHBondContact O-N 3.2Å; T481-A483 PolarHBondContact O-N 3.23Å; T481-M484 HydrophobicContact CG2-CE 4.45Å; T481-M484 PolarHBondContact O-N 3.17Å; T481-L485 HydrophobicContact CG2-CD1 4.03Å; T481-L485 HydrophobicContact CG2-CG 4.33Å; T481-L485 WeakPolarHBondContact O-CB 3.26Å; T481-L485 VanDerWaalsContact O-CG 3.29Å; T481-L485 WeakPolarHBondContact O-CG 3.35Å; T481-L485 PolarHBondContact O-N 2.76Å
482L93.9Very high89.7Confident59 Ų5935.4 Ų35.431%0.30917%0.171SC..Hα-helixtrans-59.8-45.9172.5178.868.6000111.8Y462 F477 P478 F479 K480 L485 T486Y462-L482 HydrophobicContact CE1-CD2 3.68Å; F477-L482 HydrophobicContact CE1-CB 3.93Å; F477-L482 HydrophobicContact CE1-CD2 3.64Å; F477-L482 HydrophobicContact CE1-CG 4.32Å; F477-L482 HydrophobicContact CZ-CD2 4.19Å; P478-L482 PolarHBondContact O-N 3.01Å; P478-L482 VanDerWaalsContact O-N 3.08Å; F479-L482 PolarHBondContact O-N 2.8Å; K480-L482 VanDerWaalsContact C-N 3.35Å; L482-L485 PolarHBondContact O-N 3.3Å; L482-T486 WeakPolarHBondContact O-CB 3.36Å; L482-T486 PolarHBondContact O-N 3.24Å; L482-T486 PolarHBondContact O-OG1 3.49Å
483A94Very high91Very high0 Ų039.5 Ų39.50%019%0.192CC..Hα-helixtrans-62.7-42.8178.600000111.6I415 L445 F479 K480 T481 T486 S487I415-A483 HydrophobicContact CD1-CB 4.29Å; I415-A483 HydrophobicContact CG1-CB 4.41Å; I415-A483 HydrophobicContact CG2-CB 3.81Å; L445-A483 HydrophobicContact CB-CB 3.86Å; F479-A483 WeakPolarHBondContact O-CB 3.37Å; F479-A483 PolarHBondContact O-N 2.86Å; K480-A483 PolarHBondContact O-N 2.9Å; T481-A483 PolarHBondContact O-N 3.23Å; A483-T486 PolarHBondContact O-N 3.4Å; A483-S487 WeakPolarHBondContact O-CB 3.32Å; A483-S487 PolarHBondContact O-N 3.5Å
484M96.1Very high92.1Very high12 Ų1237.6 Ų37.66%0.05919%0.188CC..Hα-helixtrans-60.6-50.3174.9-178.2-78.3-69.700111.6Y414 F418 P419 K480 T481 T486 S487 F488Y414-M484 HydrophobicContact CD1-CB 4.45Å; Y414-M484 HydrophobicContact CD2-CG 4.07Å; Y414-M484 HydrophobicContact CE1-CB 4.11Å; Y414-M484 HydrophobicContact CE1-CG 4.48Å; Y414-M484 HydrophobicContact CE2-CB 4.26Å; Y414-M484 HydrophobicContact CE2-CE 3.82Å; Y414-M484 HydrophobicContact CE2-CG 3.75Å; Y414-M484 HydrophobicContact CE2-SD 4.48Å; Y414-M484 WeakPolarHBondContact O-CG 3.46Å; Y414-M484 WeakPolarHBondContact OH-CE 3.46Å; F418-M484 HydrophobicContact CD1-CG 4.28Å; F418-M484 HydrophobicContact CD1-SD 4.13Å; F418-M484 HydrophobicContact CE1-SD 4.35Å; P419-M484 HydrophobicContact CG-CG 4.05Å; K480-M484 WeakPolarHBondContact O-CB 3.41Å; K480-M484 PolarHBondContact O-N 2.94Å; T481-M484 HydrophobicContact CG2-CE 4.45Å; T481-M484 PolarHBondContact O-N 3.17Å; M484-T486 VanDerWaalsContact C-N 3.3Å; M484-T486 PolarHBondContact O-N 3.05Å; M484-S487 WeakPolarHBondContact O-CB 3.45Å; M484-S487 PolarHBondContact O-N 3.19Å; M484-F488 PolarHBondContact O-N 3.27Å
485L96.5Very high93Very high69 Ų6935.7 Ų35.736%0.36118%0.178SC..Hα-helixtrans-62-39.6178-71.2174000111.4T481 L482 F488 F489T481-L485 HydrophobicContact CG2-CD1 4.03Å; T481-L485 HydrophobicContact CG2-CG 4.33Å; T481-L485 WeakPolarHBondContact O-CB 3.26Å; T481-L485 VanDerWaalsContact O-CG 3.29Å; T481-L485 WeakPolarHBondContact O-CG 3.35Å; T481-L485 PolarHBondContact O-N 2.76Å; L482-L485 PolarHBondContact O-N 3.3Å; L485-F488 WeakPolarHBondContact O-CB 3.43Å; L485-F488 PolarHBondContact O-N 2.95Å; L485-F489 HydrophobicContact CB-CD2 4.29Å; L485-F489 HydrophobicContact CB-CE2 4.22Å; L485-F489 HydrophobicContact CD2-CE2 4.18Å; L485-F489 WeakPolarHBondContact O-CD2 3.46Å; L485-F489 PolarHBondContact O-N 3.47Å
486T95.9Very high93.6Very high37 Ų3740.3 Ų40.323%0.22720%0.196CC..Hα-helixtrans-65.2-41.2176.7-560000111.4F441 L445 L482 A483 M484 T490F441-T486 HydrophobicContact CB-CG2 4.35Å; L445-T486 HydrophobicContact CD1-CG2 3.64Å; L482-T486 WeakPolarHBondContact O-CB 3.36Å; L482-T486 PolarHBondContact O-N 3.24Å; L482-T486 PolarHBondContact O-OG1 3.49Å; A483-T486 PolarHBondContact O-N 3.4Å; M484-T486 VanDerWaalsContact C-N 3.3Å; M484-T486 PolarHBondContact O-N 3.05Å; T486-T490 WeakPolarHBondContact O-CB 3.44Å; T486-T490 PolarHBondContact O-N 3.44Å; T486-T490 PolarHBondContact O-OG1 3.42Å
487S96.1Very high94Very high0 Ų041.7 Ų41.70%021%0.208CC..Hα-helixtrans-58.8-46.5172.8179.90000111I415 Q420 G438 A483 M484 N491I415-S487 WeakPolarHBondContact O-CB 3.49Å; I415-S487 PolarHBondContact O-OG 3.19Å; Q420-S487 PolarHBondContact NE2-OG 3.22Å; Q420-S487 PolarHBondContact OE1-OG 3.39Å; G438-S487 WeakPolarHBondContact CA-O 3.49Å; G438-S487 WeakPolarHBondContact O-CB 3.08Å; G438-S487 PolarHBondContact O-OG 3.45Å; G438-S487 VanDerWaalsContact O-OG 3.12Å; A483-S487 WeakPolarHBondContact O-CB 3.32Å; A483-S487 PolarHBondContact O-N 3.5Å; M484-S487 WeakPolarHBondContact O-CB 3.45Å; M484-S487 PolarHBondContact O-N 3.19Å; S487-N491 WeakPolarHBondContact O-CB 3.4Å; S487-N491 PolarHBondContact O-N 3.06Å
488F96.9Very high94.3Very high35 Ų3539.1 Ų39.115%0.15420%0.199CC..Hα-helixtrans-60.5-57.3177.8-177-113.7000113P419 L422 I427 M484 L485 T490 N491 I492P419-F488 HydrophobicContact CB-CB 3.74Å; P419-F488 HydrophobicContact CB-CD2 4.23Å; P419-F488 HydrophobicContact CB-CG 4.48Å; L422-F488 HydrophobicContact CB-CD2 4.21Å; L422-F488 HydrophobicContact CB-CE2 3.75Å; L422-F488 HydrophobicContact CD1-CD2 4.24Å; L422-F488 HydrophobicContact CD1-CE2 4.12Å; I427-F488 HydrophobicContact CG1-CE2 4.48Å; I427-F488 HydrophobicContact CG1-CZ 4.48Å; M484-F488 PolarHBondContact O-N 3.27Å; L485-F488 WeakPolarHBondContact O-CB 3.43Å; L485-F488 PolarHBondContact O-N 2.95Å; F488-T490 PolarHBondContact O-N 3.27Å; F488-N491 WeakPolarHBondContact O-CB 3.16Å; F488-N491 PolarHBondContact O-N 2.9Å; F488-I492 HydrophobicContact CD1-CD1 4.14Å; F488-I492 HydrophobicContact CD2-CD1 4.41Å; F488-I492 HydrophobicContact CE1-CD1 3.59Å; F488-I492 HydrophobicContact CE2-CD1 3.9Å; F488-I492 HydrophobicContact CZ-CD1 3.47Å; F488-I492 VanDerWaalsContact CZ-CD1 3.47Å; F488-I492 PolarHBondContact O-N 3.49Å; F488-I492 VanDerWaalsContact O-N 3.16Å
489F97.1Very high94.2Very high105 Ų10541.2 Ų41.246%0.46120%0.204SC..Hα-helixtrans-67-38.6-176.4-71.5-61.9000111.9L485 N491 I492 I493L485-F489 HydrophobicContact CB-CD2 4.29Å; L485-F489 HydrophobicContact CB-CE2 4.22Å; L485-F489 HydrophobicContact CD2-CE2 4.18Å; L485-F489 WeakPolarHBondContact O-CD2 3.46Å; L485-F489 PolarHBondContact O-N 3.47Å; F489-N491 VanDerWaalsContact C-N 3.32Å; F489-N491 PolarHBondContact O-N 3.13Å; F489-I492 PolarHBondContact O-N 2.99Å; F489-I493 HydrophobicContact CB-CD1 4.39Å; F489-I493 WeakPolarHBondContact O-CB 3.35Å; F489-I493 VanDerWaalsContact O-CG1 3.25Å; F489-I493 WeakPolarHBondContact O-CG1 3.46Å; F489-I493 PolarHBondContact O-N 3.17Å
490T96.6Very high94.2Very high23 Ų2348 Ų4814%0.14123%0.231CC..Hα-helixtrans-60.8-43174.8-61.80000110.9A437 F441 T486 F488 I492 I493 V494A437-T490 HydrophobicContact CB-CG2 3.68Å; F441-T490 HydrophobicContact CD2-CG2 3.74Å; F441-T490 HydrophobicContact CE2-CG2 4.32Å; F441-T490 HydrophobicContact CG-CG2 4.33Å; T486-T490 WeakPolarHBondContact O-CB 3.44Å; T486-T490 PolarHBondContact O-N 3.44Å; T486-T490 PolarHBondContact O-OG1 3.42Å; F488-T490 PolarHBondContact O-N 3.27Å; T490-I492 VanDerWaalsContact C-N 3.33Å; T490-I492 PolarHBondContact O-N 2.83Å; T490-I493 PolarHBondContact O-N 3.31Å; T490-V494 HydrophobicContact CG2-CG2 3.92Å; T490-V494 VanDerWaalsContact O-CB 3.27Å; T490-V494 WeakPolarHBondContact O-CB 3.35Å; T490-V494 WeakPolarHBondContact O-CG2 3.35Å; T490-V494 PolarHBondContact O-N 3.39Å
491N96.1Very high94Very high0 Ų049.2 Ų49.20%024%0.238CC..Hα-helixtrans-59-45.9177.2-176.3-7.5000111.6Y122 C423 G434 A435 S487 F488 F489 S495Y122-N491 PolarHBondContact OH-ND2 3.21Å; C423-N491 WeakPolarHBondContact CB-ND2 3.35Å; G434-N491 VanDerWaalsContact C-OD1 3.26Å; G434-N491 WeakPolarHBondContact CA-O 3.49Å; G434-N491 VanDerWaalsContact O-CA 3.3Å; G434-N491 WeakPolarHBondContact O-CA 3.29Å; A435-N491 PolarHBondContact N-OD1 3.16Å; S487-N491 WeakPolarHBondContact O-CB 3.4Å; S487-N491 PolarHBondContact O-N 3.06Å; F488-N491 WeakPolarHBondContact O-CB 3.16Å; F488-N491 PolarHBondContact O-N 2.9Å; F489-N491 VanDerWaalsContact C-N 3.32Å; F489-N491 PolarHBondContact O-N 3.13Å; N491-S495 WeakPolarHBondContact O-CB 3.46Å; N491-S495 PolarHBondContact O-N 2.75Å; N491-S495 PolarHBondContact O-OG 2.75Å; N491-S495 PolarHBondContact OD1-OG 3.31Å
492I96Very high93.7Very high33 Ų3349.2 Ų49.217%0.16924%0.236CC..Hα-helixtrans-62.6-59177-66.5177.4000110.7I427 F488 F489 T490 V494 S495 Y496I427-I492 HydrophobicContact CG1-CD1 4.27Å; I427-I492 HydrophobicContact CG2-CD1 4.47Å; I427-I492 HydrophobicContact CG2-CG1 4.34Å; F488-I492 HydrophobicContact CD1-CD1 4.14Å; F488-I492 HydrophobicContact CD2-CD1 4.41Å; F488-I492 HydrophobicContact CE1-CD1 3.59Å; F488-I492 HydrophobicContact CE2-CD1 3.9Å; F488-I492 HydrophobicContact CZ-CD1 3.47Å; F488-I492 VanDerWaalsContact CZ-CD1 3.47Å; F488-I492 PolarHBondContact O-N 3.49Å; F488-I492 VanDerWaalsContact O-N 3.16Å; F489-I492 PolarHBondContact O-N 2.99Å; T490-I492 VanDerWaalsContact C-N 3.33Å; T490-I492 PolarHBondContact O-N 2.83Å; I492-V494 PolarHBondContact O-N 2.82Å; I492-S495 PolarHBondContact O-N 3.41Å; I492-S495 VanDerWaalsContact O-N 3.16Å; I492-Y496 HydrophobicContact CG2-CD2 3.7Å; I492-Y496 HydrophobicContact CG2-CE2 3.79Å; I492-Y496 VanDerWaalsContact O-CD2 3.25Å; I492-Y496 WeakPolarHBondContact O-CD2 3.48Å; I492-Y496 PolarHBondContact O-N 2.86Å
493I96.2Very high93.2Very high109 Ų10951.2 Ų51.256%0.55924%0.244SC*.Hα-helixtrans-58.2-49.2-173.2-67.4165.9000110.6F489 T490 Y496 L497F489-I493 HydrophobicContact CB-CD1 4.39Å; F489-I493 WeakPolarHBondContact O-CB 3.35Å; F489-I493 VanDerWaalsContact O-CG1 3.25Å; F489-I493 WeakPolarHBondContact O-CG1 3.46Å; F489-I493 PolarHBondContact O-N 3.17Å; T490-I493 PolarHBondContact O-N 3.31Å; I493-Y496 PolarHBondContact O-N 3.16Å; I493-L497 WeakPolarHBondContact O-CB 3.01Å; I493-L497 PolarHBondContact O-N 3.05Å
494V95.6Very high92.8Very high42 Ų4253.8 Ų53.826%0.25526%0.262SS..Hα-helixtrans-68.8-36-179.1176.10000111.1A437 T490 I492 A498A437-V494 HydrophobicContact CB-CB 4.1Å; A437-V494 HydrophobicContact CB-CG1 3.96Å; A437-V494 HydrophobicContact CB-CG2 3.91Å; T490-V494 HydrophobicContact CG2-CG2 3.92Å; T490-V494 VanDerWaalsContact O-CB 3.27Å; T490-V494 WeakPolarHBondContact O-CB 3.35Å; T490-V494 WeakPolarHBondContact O-CG2 3.35Å; T490-V494 PolarHBondContact O-N 3.39Å; I492-V494 PolarHBondContact O-N 2.82Å; V494-A498 WeakPolarHBondContact O-CB 3.47Å; V494-A498 PolarHBondContact O-N 3.49Å
495S94Very high92Very high0 Ų056 Ų560%029%0.288CS..Hα-helixtrans-61.5-50.8174.8-69.70000111.8T430 N431 G434 N491 I492 A498 K499T430-S495 WeakPolarHBondContact CA-OG 3.45Å; N431-S495 PolarHBondContact N-OG 3.28Å; N431-S495 WeakPolarHBondContact ND2-CA 3.29Å; N431-S495 PolarHBondContact ND2-O 3.02Å; G434-S495 WeakPolarHBondContact CA-OG 3.43Å; N491-S495 WeakPolarHBondContact O-CB 3.46Å; N491-S495 PolarHBondContact O-N 2.75Å; N491-S495 PolarHBondContact O-OG 2.75Å; N491-S495 PolarHBondContact OD1-OG 3.31Å; I492-S495 PolarHBondContact O-N 3.41Å; I492-S495 VanDerWaalsContact O-N 3.16Å; S495-A498 PolarHBondContact O-N 3.31Å; S495-K499 WeakPolarHBondContact O-CB 3.22Å; S495-K499 PolarHBondContact O-N 2.83Å
496Y93.3Very high91.4Very high111 Ų11157.3 Ų57.344%0.43530%0.299SS..Hα-helixtrans-67.3-37.7-180-80.9-79000112.1I427 K428 I492 I493 K499 Y500I427-Y496 HydrophobicContact CG2-CE2 4.31Å; K428-Y496 PolarHBondContact O-OH 3.37Å; I492-Y496 HydrophobicContact CG2-CD2 3.7Å; I492-Y496 HydrophobicContact CG2-CE2 3.79Å; I492-Y496 VanDerWaalsContact O-CD2 3.25Å; I492-Y496 WeakPolarHBondContact O-CD2 3.48Å; I492-Y496 PolarHBondContact O-N 2.86Å; I493-Y496 PolarHBondContact O-N 3.16Å; Y496-K499 PolarHBondContact O-N 3.27Å; Y496-Y500 WeakPolarHBondContact O-CB 3.43Å; Y496-Y500 PolarHBondContact O-N 3.35Å
497L92.8Very high90.8Very high92 Ų9258 Ų5848%0.48230%0.301SS..Hα-helixtrans-63.7-48.317518062.5000111.2I493 K499 Y500 L501I493-L497 WeakPolarHBondContact O-CB 3.01Å; I493-L497 PolarHBondContact O-N 3.05Å; L497-K499 VanDerWaalsContact C-N 3.31Å; L497-K499 PolarHBondContact O-N 2.74Å; L497-Y500 PolarHBondContact O-N 3.45Å; L497-L501 HydrophobicContact CD1-CD1 4Å; L497-L501 HydrophobicContact CD1-CG 4.07Å; L497-L501 HydrophobicContact CG-CD1 3.87Å; L497-L501 HydrophobicContact CG-CG 4.35Å; L497-L501 WeakPolarHBondContact O-CB 3.49Å; L497-L501 VanDerWaalsContact O-CG 3.24Å; L497-L501 WeakPolarHBondContact O-CG 3.35Å; L497-L501 PolarHBondContact O-N 2.89Å
498A89.6Confident90Very high11 Ų1161.2 Ų61.29%0.09132%0.322CS..Hα-helixtrans-59.4-45.4176.400000110.6Y433 V494 S495 Y500 L501 F502Y433-A498 HydrophobicContact CD2-CB 4.21Å; Y433-A498 HydrophobicContact CG-CB 4.46Å; V494-A498 WeakPolarHBondContact O-CB 3.47Å; V494-A498 PolarHBondContact O-N 3.49Å; S495-A498 PolarHBondContact O-N 3.31Å; A498-Y500 PolarHBondContact O-N 3.33Å; A498-L501 PolarHBondContact O-N 3.21Å; A498-F502 WeakPolarHBondContact O-CD2 3.44Å; A498-F502 PolarHBondContact O-N 3.29Å; A498-F502 VanDerWaalsContact O-N 3.08Å
499K87.8Confident89Confident74 Ų7463.7 Ų63.732%0.32234%0.341SS..Hα-helixtrans-56.6-51.4176-174.7178.6178.4-177.40111.5S495 Y496 L497 L501 F502 E503 V517S495-K499 WeakPolarHBondContact O-CB 3.22Å; S495-K499 PolarHBondContact O-N 2.83Å; Y496-K499 PolarHBondContact O-N 3.27Å; L497-K499 VanDerWaalsContact C-N 3.31Å; L497-K499 PolarHBondContact O-N 2.74Å; K499-L501 PolarHBondContact O-N 3.28Å; K499-F502 PolarHBondContact O-N 3.08Å; K499-E503 WeakPolarHBondContact CE-OE1 3.32Å; K499-E503 VanDerWaalsContact CE-OE2 3.29Å; K499-E503 WeakPolarHBondContact CE-OE2 3.3Å; K499-E503 HydrophobicContact CG-CG 4.32Å; K499-E503 IonicContact NZ-OE1 3.42Å; K499-E503 WeakPolarHBondContact O-CB 3.33Å; K499-E503 WeakPolarHBondContact O-CG 3.45Å; K499-E503 PolarHBondContact O-N 2.66Å; K499-V517 HydrophobicContact CG-CG1 4.38Å
500Y88.3Confident88Confident155 Ų15568.2 Ų68.261%0.60836%0.361SS*.Hα-helixtrans-58.4-48.3178.3175.7-100.3000111.8Y496 L497 A498 F502 E503 S504Y496-Y500 WeakPolarHBondContact O-CB 3.43Å; Y496-Y500 PolarHBondContact O-N 3.35Å; L497-Y500 PolarHBondContact O-N 3.45Å; A498-Y500 PolarHBondContact O-N 3.33Å; Y500-F502 VanDerWaalsContact C-N 3.35Å; Y500-F502 PolarHBondContact O-N 2.94Å; Y500-E503 PolarHBondContact O-N 3.02Å; Y500-S504 WeakPolarHBondContact O-CB 3.42Å; Y500-S504 PolarHBondContact O-N 3.25Å; Y500-S504 PolarHBondContact O-OG 2.68Å
501L88Confident87.2Confident46 Ų4671.5 Ų71.524%0.24138%0.377CS..Hα-helixtrans-64.2-35.4-176.6-71.9172000113.7L497 A498 K499 S504 T506 L507L497-L501 HydrophobicContact CD1-CD1 4Å; L497-L501 HydrophobicContact CD1-CG 4.07Å; L497-L501 HydrophobicContact CG-CD1 3.87Å; L497-L501 HydrophobicContact CG-CG 4.35Å; L497-L501 WeakPolarHBondContact O-CB 3.49Å; L497-L501 VanDerWaalsContact O-CG 3.24Å; L497-L501 WeakPolarHBondContact O-CG 3.35Å; L497-L501 PolarHBondContact O-N 2.89Å; A498-L501 PolarHBondContact O-N 3.21Å; K499-L501 PolarHBondContact O-N 3.28Å; L501-S504 PolarHBondContact O-OG 3.33Å; L501-T506 HydrophobicContact CD2-CG2 4.08Å; L501-T506 PolarHBondContact O-N 3Å; L501-L507 HydrophobicContact CB-CD1 3.65Å; L501-L507 HydrophobicContact CB-CG 3.97Å; L501-L507 HydrophobicContact CD1-CD1 3.97Å; L501-L507 HydrophobicContact CG-CD1 4.41Å; L501-L507 PolarHBondContact O-N 3.31Å
502F86.8Confident86.4Confident20 Ų2071.8 Ų71.89%0.08838%0.379CS..Hα-helixtrans-78.6-40.7175.5-75.4-64.8000112Y433 A498 K499 Y500 G505 L507 L511 D512 V517 V518Y433-F502 HydrophobicContact CD2-CE2 4.43Å; Y433-F502 AromaticContact CE2-CE2 3.88Å; Y433-F502 HydrophobicContact CE2-CE2 3.88Å; Y433-F502 HydrophobicContact CE2-CZ 4.41Å; A498-F502 WeakPolarHBondContact O-CD2 3.44Å; A498-F502 PolarHBondContact O-N 3.29Å; A498-F502 VanDerWaalsContact O-N 3.08Å; K499-F502 PolarHBondContact O-N 3.08Å; Y500-F502 VanDerWaalsContact C-N 3.35Å; Y500-F502 PolarHBondContact O-N 2.94Å; F502-G505 PolarHBondContact O-N 3.49Å; F502-L507 HydrophobicContact CD1-CB 3.8Å; F502-L507 HydrophobicContact CE1-CB 3.84Å; F502-L507 HydrophobicContact CE1-CD1 4.29Å; F502-L507 HydrophobicContact CE2-CD1 4.38Å; F502-L507 HydrophobicContact CG-CB 4.47Å; F502-L507 HydrophobicContact CZ-CD1 4.16Å; F502-L511 HydrophobicContact CE1-CB 4.23Å; F502-D512 HydrophobicContact CD1-CB 4.36Å; F502-D512 HydrophobicContact CE1-CB 3.82Å; F502-D512 HydrophobicContact CE2-CB 4.42Å; F502-D512 HydrophobicContact CZ-CB 3.86Å; F502-V517 HydrophobicContact CB-CB 4.3Å; F502-V517 HydrophobicContact CB-CG1 3.81Å; F502-V517 HydrophobicContact CD2-CB 3.89Å; F502-V517 HydrophobicContact CD2-CG1 4.2Å; F502-V517 HydrophobicContact CD2-CG2 3.86Å; F502-V517 HydrophobicContact CE2-CG2 4.39Å; F502-V517 HydrophobicContact CG-CB 4.34Å; F502-V517 HydrophobicContact CG-CG1 4.37Å; F502-V518 HydrophobicContact CB-CG2 4.15Å; F502-V518 HydrophobicContact CD1-CG2 4.14Å; F502-V518 HydrophobicContact CG-CG2 4.27Å
503E84.6Confident85.6Confident102 Ų10277 Ų7748%0.47740%0.401SS..Hα-helixtrans-71.9-31.9179.4-71.9-179.2170.700112.7K499 Y500 G505K499-E503 WeakPolarHBondContact CE-OE1 3.32Å; K499-E503 VanDerWaalsContact CE-OE2 3.29Å; K499-E503 WeakPolarHBondContact CE-OE2 3.3Å; K499-E503 HydrophobicContact CG-CG 4.32Å; K499-E503 IonicContact NZ-OE1 3.42Å; K499-E503 WeakPolarHBondContact O-CB 3.33Å; K499-E503 WeakPolarHBondContact O-CG 3.45Å; K499-E503 PolarHBondContact O-N 2.66Å; Y500-E503 PolarHBondContact O-N 3.02Å; E503-G505 PolarHBondContact O-N 2.94Å
504S85Confident84.8Confident54 Ų5473.7 Ų73.738%0.37838%0.383SS..THydrogen-bonded Turntrans-74.5-8.3175.767.80000113.6Y500 L501 T506Y500-S504 WeakPolarHBondContact O-CB 3.42Å; Y500-S504 PolarHBondContact O-N 3.25Å; Y500-S504 PolarHBondContact O-OG 2.68Å; L501-S504 PolarHBondContact O-OG 3.33Å; S504-T506 PolarHBondContact O-N 3.11Å; S504-T506 WeakPolarHBondContact OG-CB 3.49Å; S504-T506 PolarHBondContact OG-N 3.17Å; S504-T506 PolarHBondContact OG-OG1 3.05Å
505G78.9Confident83.8Confident59 Ų5976.7 Ų76.761%0.60840%0.398SS*.THydrogen-bonded Turntrans71.59.8-17400000114.2F502 E503 L507F502-G505 PolarHBondContact O-N 3.49Å; E503-G505 PolarHBondContact O-N 2.94Å; G505-L507 VanDerWaalsContact C-N 3.35Å
506T83.9Confident82.9Confident95 Ų9577.1 Ų77.158%0.58340%0.402SS*.SBendtrans-67.9-37.6175.7-52.90000111.1L501 S504L501-T506 HydrophobicContact CD2-CG2 4.08Å; L501-T506 PolarHBondContact O-N 3Å; S504-T506 PolarHBondContact O-N 3.11Å; S504-T506 WeakPolarHBondContact OG-CB 3.49Å; S504-T506 PolarHBondContact OG-N 3.17Å; S504-T506 PolarHBondContact OG-OG1 3.05Å
507L83.8Confident82Confident53 Ų5372.4 Ų72.428%0.27739%0.385SS..SBendtrans-101.4130.2170.3-72.4175.7000110.7L501 F502 G505 L511L501-L507 HydrophobicContact CB-CD1 3.65Å; L501-L507 HydrophobicContact CB-CG 3.97Å; L501-L507 HydrophobicContact CD1-CD1 3.97Å; L501-L507 HydrophobicContact CG-CD1 4.41Å; L501-L507 PolarHBondContact O-N 3.31Å; F502-L507 HydrophobicContact CD1-CB 3.8Å; F502-L507 HydrophobicContact CE1-CB 3.84Å; F502-L507 HydrophobicContact CE1-CD1 4.29Å; F502-L507 HydrophobicContact CE2-CD1 4.38Å; F502-L507 HydrophobicContact CG-CB 4.47Å; F502-L507 HydrophobicContact CZ-CD1 4.16Å; G505-L507 VanDerWaalsContact C-N 3.35Å; L507-L511 HydrophobicContact CD2-CD1 4Å
508P78.9Confident80.6Confident67 Ų6770 Ų7044%0.43537%0.373SS..  trans-63.3140.7174.421.3-31.1000111.1K510 L511P508-K510 PolarHBondContact O-N 3.12Å; P508-L511 HydrophobicContact CG-CD1 3.64Å; P508-L511 HydrophobicContact CG-CG 3.94Å; P508-L511 WeakPolarHBondContact O-CB 3.44Å; P508-L511 PolarHBondContact O-N 2.73Å
509P75.8Confident79.3Confident86 Ų8670.7 Ų70.756%0.55838%0.379SS*.G310 helixtrans-52.6-27.3178.4-32.537.5000115.3L511 D512 V518P509-L511 PolarHBondContact O-N 3.05Å; P509-D512 WeakPolarHBondContact O-CB 3.35Å; P509-D512 PolarHBondContact O-N 3.05Å; P509-D512 VanDerWaalsContact O-N 3.08Å; P509-V518 HydrophobicContact CB-CG1 4.19Å; P509-V518 HydrophobicContact CB-CG2 4.29Å
510K76.1Confident78.1Confident200 Ų20071.2 Ų71.287%0.8738%0.379SS*.G310 helixtrans-63.8-19.8177.3-62.8-177.2-179.7179.50113.4P508 D512P508-K510 PolarHBondContact O-N 3.12Å; K510-D512 VanDerWaalsContact C-N 3.33Å
511L78.8Confident76.7Confident92 Ų9269.5 Ų69.548%0.48237%0.373SS..G310 helixtrans-85.3-4.6176.3-66.4175.2000112.9Y433 F502 L507 P508 P509 F513Y433-L511 PolarHBondContact OH-O 3.37Å; F502-L511 HydrophobicContact CE1-CB 4.23Å; L507-L511 HydrophobicContact CD2-CD1 4Å; P508-L511 HydrophobicContact CG-CD1 3.64Å; P508-L511 HydrophobicContact CG-CG 3.94Å; P508-L511 WeakPolarHBondContact O-CB 3.44Å; P508-L511 PolarHBondContact O-N 2.73Å; P509-L511 PolarHBondContact O-N 3.05Å; L511-F513 WeakPolarHBondContact O-CD1 3.44Å; L511-F513 PolarHBondContact O-N 3.43Å
512D80.1Confident75.3Confident7 Ų770.4 Ų70.44%0.03738%0.382CS..  trans-78.361.2171.4-17010.5000111.1Y433 F502 P509 K510 L514 D515 A516 V517 V518Y433-D512 WeakPolarHBondContact CE2-OD1 3.41Å; Y433-D512 WeakPolarHBondContact OH-CA 3.3Å; Y433-D512 PolarHBondContact OH-OD1 2.96Å; F502-D512 HydrophobicContact CD1-CB 4.36Å; F502-D512 HydrophobicContact CE1-CB 3.82Å; F502-D512 HydrophobicContact CE2-CB 4.42Å; F502-D512 HydrophobicContact CZ-CB 3.86Å; P509-D512 WeakPolarHBondContact O-CB 3.35Å; P509-D512 PolarHBondContact O-N 3.05Å; P509-D512 VanDerWaalsContact O-N 3.08Å; K510-D512 VanDerWaalsContact C-N 3.33Å; D512-L514 PolarHBondContact O-N 3.05Å; D512-D515 PolarHBondContact O-N 3.16Å; D512-D515 PolarHBondContact OD1-N 2.98Å; D512-A516 PolarHBondContact OD1-N 3.26Å; D512-A516 PolarHBondContact OD2-N 2.77Å; D512-V517 PolarHBondContact OD2-N 2.72Å; D512-V518 HydrophobicContact CB-CB 4.44Å; D512-V518 HydrophobicContact CB-CG2 4.1Å; D512-V518 PolarHBondContact OD2-N 3.43Å
513F79.3Confident73.9Confident143 Ų14377 Ų7763%0.62741%0.407SS*.THydrogen-bonded Turntrans-67.4-12.3-176.767.9-92.5000114.3Y433 L511Y433-F513 HydrophobicContact CE1-CD1 4.3Å; Y433-F513 AromaticContact CE1-CE1 3.6Å; Y433-F513 HydrophobicContact CE1-CE1 3.6Å; Y433-F513 HydrophobicContact CE1-CE2 4.47Å; Y433-F513 AromaticContact CE1-CZ 3.7Å; Y433-F513 HydrophobicContact CE1-CZ 3.7Å; Y433-F513 WeakPolarHBondContact OH-CD1 3.48Å; Y433-F513 PolarHBondContact OH-N 3.06Å; L511-F513 WeakPolarHBondContact O-CD1 3.44Å; L511-F513 PolarHBondContact O-N 3.43Å
514L78.9Confident72.7Confident38 Ų3876.3 Ų76.320%0.19940%0.404CS..THydrogen-bonded Turntrans-97.41174.7-64.3179.4000112.6T432 Y433 I436 D512 A516T432-L514 HydrophobicContact CG2-CD1 3.94Å; Y433-L514 HydrophobicContact CD1-CD1 3.69Å; Y433-L514 HydrophobicContact CE1-CB 4.33Å; Y433-L514 HydrophobicContact CE1-CD1 3.51Å; Y433-L514 HydrophobicContact CE1-CG 3.92Å; Y433-L514 HydrophobicContact CE2-CB 4.26Å; Y433-L514 HydrophobicContact CG-CD1 4.28Å; Y433-L514 PolarHBondContact OH-N 3.42Å; I436-L514 HydrophobicContact CD1-CD1 3.55Å; D512-L514 PolarHBondContact O-N 3.05Å; L514-A516 HydrophobicContact CB-CB 4.08Å; L514-A516 PolarHBondContact O-N 2.79Å; L514-A516 VanDerWaalsContact O-N 3.13Å
515D74.3Confident71.4Confident106 Ų10678 Ų7857%0.56741%0.405SS*.  trans50.334.5-175.2-68.4-47.7000112.2D512 A519D512-D515 PolarHBondContact O-N 3.16Å; D512-D515 PolarHBondContact OD1-N 2.98Å; D515-A519 HydrophobicContact CB-CB 3.73Å
516A75.8Confident70Confident9 Ų981.2 Ų81.27%0.07441%0.406CS..SBendtrans-90.8-22.6-165.300000112.7N431 Y433 D512 L514N431-A516 HydrophobicContact CB-CB 4.35Å; Y433-A516 HydrophobicContact CD2-CB 3.84Å; Y433-A516 HydrophobicContact CE2-CB 3.78Å; D512-A516 PolarHBondContact OD1-N 3.26Å; D512-A516 PolarHBondContact OD2-N 2.77Å; L514-A516 HydrophobicContact CB-CB 4.08Å; L514-A516 PolarHBondContact O-N 2.79Å; L514-A516 VanDerWaalsContact O-N 3.13Å
517V73.7Confident68.5Low12 Ų1281.6 Ų81.67%0.07340%0.404CS..SBendtrans-124.8-58.7-173.1-176.30000111.6K499 F502 D512 R520 Y521K499-V517 HydrophobicContact CG-CG1 4.38Å; F502-V517 HydrophobicContact CB-CB 4.3Å; F502-V517 HydrophobicContact CB-CG1 3.81Å; F502-V517 HydrophobicContact CD2-CB 3.89Å; F502-V517 HydrophobicContact CD2-CG1 4.2Å; F502-V517 HydrophobicContact CD2-CG2 3.86Å; F502-V517 HydrophobicContact CE2-CG2 4.39Å; F502-V517 HydrophobicContact CG-CB 4.34Å; F502-V517 HydrophobicContact CG-CG1 4.37Å; D512-V517 PolarHBondContact OD2-N 2.72Å; V517-R520 PolarHBondContact O-N 3.39Å; V517-Y521 WeakPolarHBondContact O-CB 3.06Å; V517-Y521 PolarHBondContact O-N 2.82Å
518V64.8Low67Low41 Ų4184.9 Ų84.925%0.24842%0.417CS..Hα-helixtrans-74.1-44.8-172.1-177.80000112F502 P509 D512 R520 Y521 S522F502-V518 HydrophobicContact CB-CG2 4.15Å; F502-V518 HydrophobicContact CD1-CG2 4.14Å; F502-V518 HydrophobicContact CG-CG2 4.27Å; P509-V518 HydrophobicContact CB-CG1 4.19Å; P509-V518 HydrophobicContact CB-CG2 4.29Å; D512-V518 HydrophobicContact CB-CB 4.44Å; D512-V518 HydrophobicContact CB-CG2 4.1Å; D512-V518 PolarHBondContact OD2-N 3.43Å; V518-R520 PolarHBondContact O-N 2.88Å; V518-Y521 PolarHBondContact O-N 3.03Å; V518-S522 PolarHBondContact O-N 3.28Å; V518-S522 PolarHBondContact O-OG 3.09Å
519A62.3Low65.7Low26 Ų2684.4 Ų84.422%0.21542%0.418CS..Hα-helixtrans-65.4-27.3178.300000112.3D515 R523D515-A519 HydrophobicContact CB-CB 3.73Å; A519-R523 PolarHBondContact O-N 3.17Å; A519-R523 PolarHBondContact O-NE 2.94Å
520R63.2Low64.4Low85 Ų8584.3 Ų84.332%0.32142%0.416SS..Hα-helixtrans-80.3-44.5177.7-169.1175.9174.9166.52.9112V517 V518 S522 R523 E524V517-R520 PolarHBondContact O-N 3.39Å; V518-R520 PolarHBondContact O-N 2.88Å; R520-S522 VanDerWaalsContact C-N 3.27Å; R520-S522 PolarHBondContact O-N 3.42Å; R520-R523 PolarHBondContact O-N 3.48Å; R520-E524 IonicContact NE-OE1 2.7Å; R520-E524 PolarHBondContact O-N 3.09Å
521Y58.3Low62.9Low119 Ų11980 Ų8047%0.46740%0.402SS..Hα-helixtrans-55.1-45171.8-176.2-94.2000111.3V517 V518 R523 E524 H525V517-Y521 WeakPolarHBondContact O-CB 3.06Å; V517-Y521 PolarHBondContact O-N 2.82Å; V518-Y521 PolarHBondContact O-N 3.03Å; Y521-R523 PolarHBondContact O-N 3.4Å; Y521-E524 PolarHBondContact O-N 2.89Å; Y521-H525 AromaticContact CD1-CD2 3.73Å; Y521-H525 AromaticContact CD2-CD2 3.9Å; Y521-H525 AromaticContact CE1-CD2 3.41Å; Y521-H525 VanDerWaalsContact CE1-CD2 3.41Å; Y521-H525 WeakPolarHBondContact CE1-CD2 3.34Å; Y521-H525 AromaticContact CE1-NE2 3.73Å; Y521-H525 AromaticContact CE2-CD2 3.59Å; Y521-H525 AromaticContact CE2-NE2 3.3Å; Y521-H525 VanDerWaalsContact CE2-NE2 3.3Å; Y521-H525 WeakPolarHBondContact CE2-NE2 3.42Å; Y521-H525 AromaticContact CG-CD2 3.97Å; Y521-H525 AromaticContact CZ-CD2 3.33Å; Y521-H525 AromaticContact CZ-NE2 3.12Å; Y521-H525 WeakPolarHBondContact O-CB 3.42Å; Y521-H525 PolarHBondContact O-CD2 3.12Å; Y521-H525 VanDerWaalsContact O-CD2 3.31Å; Y521-H525 PolarHBondContact O-N 3.38Å; Y521-H525 PolarHBondContact OH-NE2 2.96Å
522S57.3Low61.5Low64 Ų6480.4 Ų80.445%0.44841%0.408SS..Hα-helixtrans-63.6-40.3178.1-57.50000112.9V518 R520 M526V518-S522 PolarHBondContact O-N 3.28Å; V518-S522 PolarHBondContact O-OG 3.09Å; R520-S522 VanDerWaalsContact C-N 3.27Å; R520-S522 PolarHBondContact O-N 3.42Å; S522-M526 WeakPolarHBondContact O-CB 3.45Å; S522-M526 PolarHBondContact O-N 2.79Å
523R58.6Low59.8Low158 Ų15888.1 Ų88.160%0.59644%0.441SS*.Hα-helixtrans-66.4-46.7175.2-91.8-176.9-89.2177.5-8.6112.7A519 R520 Y521 H525 M526 D527A519-R523 PolarHBondContact O-N 3.17Å; A519-R523 PolarHBondContact O-NE 2.94Å; R520-R523 PolarHBondContact O-N 3.48Å; Y521-R523 PolarHBondContact O-N 3.4Å; R523-H525 VanDerWaalsContact C-N 3.29Å; R523-H525 PolarHBondContact O-N 3.49Å; R523-M526 PolarHBondContact O-N 3.38Å; R523-D527 PolarHBondContact O-N 3.45Å
524E59.8Low58.2Low89 Ų8984.6 Ų84.642%0.41644%0.435SS..Hα-helixtrans-62.9-35.8178.2-74.8-177.6-168.800112.2R520 Y521 K528R520-E524 IonicContact NE-OE1 2.7Å; R520-E524 PolarHBondContact O-N 3.09Å; Y521-E524 PolarHBondContact O-N 2.89Å; E524-K528 WeakPolarHBondContact O-CB 3.21Å; E524-K528 VanDerWaalsContact O-CG 3.27Å; E524-K528 WeakPolarHBondContact O-CG 3.37Å; E524-K528 PolarHBondContact O-N 3.15Å; E524-K528 VanDerWaalsContact O-N 3.08Å
525H56Low56.5Low88 Ų8889.1 Ų89.141%0.40746%0.459SS..Hα-helixtrans-73.6-36.7174.2-86-76.3000113.1Y521 R523 A529Y521-H525 AromaticContact CD1-CD2 3.73Å; Y521-H525 AromaticContact CD2-CD2 3.9Å; Y521-H525 AromaticContact CE1-CD2 3.41Å; Y521-H525 VanDerWaalsContact CE1-CD2 3.41Å; Y521-H525 WeakPolarHBondContact CE1-CD2 3.34Å; Y521-H525 AromaticContact CE1-NE2 3.73Å; Y521-H525 AromaticContact CE2-CD2 3.59Å; Y521-H525 AromaticContact CE2-NE2 3.3Å; Y521-H525 VanDerWaalsContact CE2-NE2 3.3Å; Y521-H525 WeakPolarHBondContact CE2-NE2 3.42Å; Y521-H525 AromaticContact CG-CD2 3.97Å; Y521-H525 AromaticContact CZ-CD2 3.33Å; Y521-H525 AromaticContact CZ-NE2 3.12Å; Y521-H525 WeakPolarHBondContact O-CB 3.42Å; Y521-H525 PolarHBondContact O-CD2 3.12Å; Y521-H525 VanDerWaalsContact O-CD2 3.31Å; Y521-H525 PolarHBondContact O-N 3.38Å; Y521-H525 PolarHBondContact OH-NE2 2.96Å; R523-H525 VanDerWaalsContact C-N 3.29Å; R523-H525 PolarHBondContact O-N 3.49Å; H525-A529 VanDerWaalsContact O-CB 3.23Å; H525-A529 WeakPolarHBondContact O-CB 3.39Å; H525-A529 PolarHBondContact O-N 3.38Å
526M50.6Low54.9Low128 Ų12890.2 Ų90.263%0.63147%0.465SS*.Hα-helixtrans-63.2-45.3171.4-93-175.665.200112S522 R523 A529 T530S522-M526 WeakPolarHBondContact O-CB 3.45Å; S522-M526 PolarHBondContact O-N 2.79Å; R523-M526 PolarHBondContact O-N 3.38Å; M526-A529 PolarHBondContact O-N 3.27Å; M526-T530 VanDerWaalsContact O-CB 3.31Å; M526-T530 WeakPolarHBondContact O-CB 3.26Å; M526-T530 PolarHBondContact O-N 2.88Å; M526-T530 PolarHBondContact O-OG1 3.39Å
527D51.3Low53.2Low102 Ų10295.6 Ų95.655%0.54549%0.491SS..Hα-helixtrans-64.3-42.6179.1-75.3-15.9000111R523 T530 L531R523-D527 PolarHBondContact O-N 3.45Å; D527-T530 PolarHBondContact O-N 3.33Å; D527-L531 WeakPolarHBondContact O-CB 3.3Å; D527-L531 VanDerWaalsContact O-CG 3.27Å; D527-L531 WeakPolarHBondContact O-CG 3.5Å; D527-L531 PolarHBondContact O-N 2.63Å
528K53.5Low51.6Low123 Ų123101.1 Ų101.154%0.53553%0.525SS..Hα-helixtrans-63.1-42.2172.9-74.7173.7-176.7171.70112.4E524 T530 L531 V532E524-K528 WeakPolarHBondContact O-CB 3.21Å; E524-K528 VanDerWaalsContact O-CG 3.27Å; E524-K528 WeakPolarHBondContact O-CG 3.37Å; E524-K528 PolarHBondContact O-N 3.15Å; E524-K528 VanDerWaalsContact O-N 3.08Å; K528-T530 VanDerWaalsContact C-N 3.29Å; K528-T530 PolarHBondContact O-N 3.37Å; K528-L531 PolarHBondContact O-N 3.07Å; K528-V532 WeakPolarHBondContact O-CB 3.39Å; K528-V532 WeakPolarHBondContact O-CG2 3.38Å; K528-V532 PolarHBondContact O-N 2.87Å
529A50.8Low50.4Low57 Ų57106.4 Ų106.447%0.47155%0.55SS.*Hα-helixtrans-67-32.3176.400000112.4H525 M526 K533H525-A529 VanDerWaalsContact O-CB 3.23Å; H525-A529 WeakPolarHBondContact O-CB 3.39Å; H525-A529 PolarHBondContact O-N 3.38Å; M526-A529 PolarHBondContact O-N 3.27Å; A529-K533 WeakPolarHBondContact O-CB 3.22Å; A529-K533 PolarHBondContact O-N 3.14Å
530T48.2Very low49.2Very low83 Ų83112.2 Ų112.251%0.50958%0.578SS.*Hα-helixtrans-72.8-42.1176.6-53.20000110.6M526 D527 K528 K533 S534M526-T530 VanDerWaalsContact O-CB 3.31Å; M526-T530 WeakPolarHBondContact O-CB 3.26Å; M526-T530 PolarHBondContact O-N 2.88Å; M526-T530 PolarHBondContact O-OG1 3.39Å; D527-T530 PolarHBondContact O-N 3.33Å; K528-T530 VanDerWaalsContact C-N 3.29Å; K528-T530 PolarHBondContact O-N 3.37Å; T530-K533 PolarHBondContact O-N 3.01Å; T530-S534 PolarHBondContact O-N 3.05Å; T530-S534 PolarHBondContact O-OG 3.04Å
531L45.8Very low48.2Very low110 Ų110117.1 Ų117.158%0.57660%0.604SS**Hα-helixtrans-64.1-42.9173.5-73.1167.9000112.1D527 K528 K533 S534 D535D527-L531 WeakPolarHBondContact O-CB 3.3Å; D527-L531 VanDerWaalsContact O-CG 3.27Å; D527-L531 WeakPolarHBondContact O-CG 3.5Å; D527-L531 PolarHBondContact O-N 2.63Å; K528-L531 PolarHBondContact O-N 3.07Å; L531-K533 VanDerWaalsContact C-N 3.29Å; L531-K533 PolarHBondContact O-N 3.12Å; L531-S534 VanDerWaalsContact CA-OG 3.27Å; L531-S534 WeakPolarHBondContact CA-OG 3.49Å; L531-S534 PolarHBondContact O-N 2.75Å; L531-S534 VanDerWaalsContact O-N 3.16Å; L531-S534 PolarHBondContact O-OG 2.75Å; L531-D535 PolarHBondContact O-N 3.21Å; L531-D535 VanDerWaalsContact O-N 3.11Å
532V48.9Very low47Very low100 Ų100119.3 Ų119.361%0.60662%0.623SS**Hα-helixtrans-67.2-30.2174.71720000111.8K528K528-V532 WeakPolarHBondContact O-CB 3.39Å; K528-V532 WeakPolarHBondContact O-CG2 3.38Å; K528-V532 PolarHBondContact O-N 2.87Å
533K44.7Very low46Very low170 Ų170120.1 Ų120.174%0.73963%0.634SS**Hα-helixtrans-71.5-34.4170.8-94-175.2173.2-177.80112.7A529 T530 L531 D535 N536A529-K533 WeakPolarHBondContact O-CB 3.22Å; A529-K533 PolarHBondContact O-N 3.14Å; T530-K533 PolarHBondContact O-N 3.01Å; L531-K533 VanDerWaalsContact C-N 3.29Å; L531-K533 PolarHBondContact O-N 3.12Å; K533-D535 VanDerWaalsContact C-N 3.34Å; K533-N536 PolarHBondContact O-N 3.16Å
534S45.1Very low44.8Very low69 Ų69118.7 Ų118.748%0.48365%0.645SS.*Hα-helixtrans-74.9-20.1177.452.30000114.1T530 L531 N536T530-S534 PolarHBondContact O-N 3.05Å; T530-S534 PolarHBondContact O-OG 3.04Å; L531-S534 VanDerWaalsContact CA-OG 3.27Å; L531-S534 WeakPolarHBondContact CA-OG 3.49Å; L531-S534 PolarHBondContact O-N 2.75Å; L531-S534 VanDerWaalsContact O-N 3.16Å; L531-S534 PolarHBondContact O-OG 2.75Å; S534-N536 PolarHBondContact O-N 3.23Å
535D44Very low43.5Very low133 Ų133121 Ų12171%0.71167%0.665SS**THydrogen-bonded Turntrans-77.6-1.6172.8-74.9-22.3000113.6L531 K533L531-D535 PolarHBondContact O-N 3.21Å; L531-D535 VanDerWaalsContact O-N 3.11Å; K533-D535 VanDerWaalsContact C-N 3.34Å
536N40.5Very low42.2Very low129 Ų129123.7 Ų123.769%0.6968%0.683SS**SBendtrans-97.676.5164.1-75-37000109.6K533 S534 V538K533-N536 PolarHBondContact O-N 3.16Å; S534-N536 PolarHBondContact O-N 3.23Å; N536-V538 PolarHBondContact O-N 3.47Å
537I39.3Very low41.2Very low121 Ų121123.2 Ų123.262%0.62169%0.689SS**  trans-65106.3173.7-60.7173.9000108.9L539I537-L539 HydrophobicContact CG2-CD1 4.09Å; I537-L539 HydrophobicContact CG2-CG 4.24Å
538V40.3Very low40.2Very low129 Ų129130 Ų13078%0.78271%0.707SS**  trans-80.4112.1154.3179.40000106.5N536 N540N536-V538 PolarHBondContact O-N 3.47Å; V538-N540 PolarHBondContact O-N 3.21Å
539L39.1Very low39.1Very low151 Ų151133.3 Ų133.379%0.79172%0.724SS**THydrogen-bonded Turntrans-7219.1-162-129.9116.2000116.5I537I537-L539 HydrophobicContact CG2-CD1 4.09Å; I537-L539 HydrophobicContact CG2-CG 4.24Å
540N37.5Very low38.1Very low149 Ų149135.9 Ų135.980%0.79774%0.739SS**THydrogen-bonded Turntrans-118.54.4-165.5-89.51.7000117.3V538V538-N540 PolarHBondContact O-N 3.21Å
541E41.6Very low37.4Very low187 Ų187140.5 Ų140.587%0.87476%0.759SS**  trans-132.231.8-178.4-68.2-166.4174.300115.5
542L34.6Very low36.7Very low165 Ų165139.4 Ų139.486%0.86476%0.761SS**  trans-101.6107.9167.5-73.4168.7000110.2
543A35.2Very low35.9Very low82 Ų82143.6 Ų143.668%0.67878%0.779SS**  trans-56.8144167.200000110.4V545A543-V545 PolarHBondContact O-N 3.28Å; A543-V545 VanDerWaalsContact O-N 3.15Å
544P34.1Very low35.2Very low128 Ų128140.2 Ų140.283%0.83178%0.776SS**  trans-69.6115.2-174.327.1-32.2000110.7
545V32Very low34.5Very low137 Ų137142.1 Ų142.183%0.8379%0.79SS**PPolyproline II helixtrans-81.7117.4166.8177.30000107.8A543A543-V545 PolarHBondContact O-N 3.28Å; A543-V545 VanDerWaalsContact O-N 3.15Å
546N28.6Very low34Very low145 Ų145141.8 Ų141.878%0.77579%0.793SS**PPolyproline II helixtrans-58.7132.3175.8-84.2-29.2000111.3R548N546-R548 PolarHBondContact O-N 3.37Å
547P31.1Very low33.6Very low118 Ų118145 Ų14577%0.76680%0.801SS**PPolyproline II helixtrans-73.8117.917927.1-30.3000110.7
548R29.6Very low33.1Very low245 Ų245145.7 Ų145.793%0.92581%0.811SS**PPolyproline II helixtrans-74.5126.1161.2-87.4-176.5173.3171.9-1.6108.7N546 S550N546-R548 PolarHBondContact O-N 3.37Å; R548-S550 PolarHBondContact O-N 3.47Å
549H30.3Very low32.6Very low191 Ų191146.3 Ų146.388%0.88481%0.81SS**  trans-46118.1177.9-77.3-93.4000113.2
550S30.4Very low32Very low112 Ų112147.3 Ų147.378%0.78381%0.808SS**  trans-85117.3159.147.50000108.7R548 S552R548-S550 PolarHBondContact O-N 3.47Å; S550-S552 PolarHBondContact O-N 2.97Å
551L32.4Very low31.6Very low179 Ų179147.9 Ų147.994%0.93781%0.806SS**  trans-69.7105.8166-91.5145.8000107.9
552S32Very low31.1Very low87 Ų87143.1 Ų143.161%0.60880%0.798SS**  trans-79.8126.9173.964.30000110.8S550 S554S550-S552 PolarHBondContact O-N 2.97Å; S552-S554 VanDerWaalsContact C-N 3.32Å; S552-S554 PolarHBondContact O-N 3.34Å; S552-S554 PolarHBondContact OG-OG 3.33Å
553L31.3Very low30.8Very low188 Ų188145.2 Ų145.298%0.98480%0.801SS**SBendtrans-72.179.1172.5-142.6126000109.1
554S29.6Very low30.5Very low99 Ų99148.2 Ų148.269%0.69281%0.806SS**  trans-154.620.8178.659.30000115.7S552S552-S554 VanDerWaalsContact C-N 3.32Å; S552-S554 PolarHBondContact O-N 3.34Å; S552-S554 PolarHBondContact OG-OG 3.33Å
555S30.7Very low30.2Very low110 Ų110152.1 Ų152.177%0.76981%0.805SS**  trans-127.674.6173.654.10000111.5
556T32.6Very low30Very low126 Ų126152.7 Ų152.777%0.77381%0.809SS**  trans-130.817.8170.2-45.30000113.2
557F33.1Very low30Very low195 Ų195152.5 Ų152.586%0.85581%0.808SS**SBendtrans-142.794.5168.5-75.7-78.5000109.8
558T28.8Very low29.9Very low136 Ų136152.4 Ų152.483%0.83481%0.81SS**  trans172.7133.3132.429.30000112.3
559N29.1Very low29.7Very low143 Ų143146.1 Ų146.177%0.76580%0.804SS**  trans65.2111.9159.7-71.1-18.1000119.5
560K27.4Very low30.4Very low171 Ų171142.5 Ų142.574%0.74380%0.797SS**  65.2119.472.4-86.4-165.6173.2-170.50113.5
561E29.1Very low30.3Very low162 Ų162145.8 Ų145.876%0.75780%0.8SS**  trans74.398.4157.4-65.6163.5-158.400114.7
562A30.2Very low30.1Very low86 Ų86144.7 Ų144.771%0.71179%0.794SS**  54.794.879.800000111.7
563F29Very low30Very low209 Ų209145.1 Ų145.192%0.91780%0.798SS**  trans-166108.1141.9-99.5-69.6000109.5
564N28.4Very low29.9Very low146 Ų146143.2 Ų143.278%0.78179%0.788SS**  trans-87.8131.3160.5-91-26.4000108.2
565Y27.3Very low30.1Very low209 Ų209144.1 Ų144.182%0.8279%0.79SS**  trans36.6114.3139.5-81.2-92.1000119.6
566V28.8Very low30.2Very low149 Ų149146.5 Ų146.590%0.90379%0.789SS**  -143.7141.4127.4-179.70000109.8
567D29.1Very low30.3Very low142 Ų142146.7 Ų146.776%0.75979%0.785SS**  trans-54.5166-177.8-95.6-46.5000119.5
568S27.9Very low30.3Very low116 Ų116148.8 Ų148.881%0.81181%0.805SS**  trans93.1119.6144.571.10000120
569S26.1Very low30.4Very low113 Ų113149.4 Ų149.479%0.7980%0.803SS**  trans-101.3175.1149.5-33.40000107.9
570P44.7Very low30.4Very low115 Ų115149.7 Ų149.775%0.74781%0.805SS**  cis-133.7170.7-13.737.1-19.6000113.3
571E28.6Very low30.6Very low181 Ų181148.6 Ų148.685%0.84681%0.809SS**  trans163.5114.6145.5-93173.2-174.400108.7
572L28.3Very low30.7Very low155 Ų155147.8 Ų147.881%0.81281%0.812SS**  68.9124.288.7-100.3156.8000116.1
573S29.9Very low30.7Very low97 Ų97151.6 Ų151.668%0.67882%0.818SS**  trans66.1107.6157.359.50000117.7
574N30Very low30.8Very low148 Ų148147.8 Ų147.879%0.79181%0.812SS**  82.2133.187.6-88.4-1.8000114.1
575T32.1Very low31Very low117 Ų117147.9 Ų147.972%0.71881%0.814SS**  trans65.7143.4151.148.30000116.8
576E33.8Very low31.3Very low161 Ų161143.2 Ų143.275%0.75281%0.814SS**  cis-175161.8-9.1-117171.3174.100103.7
577D34.2Very low31.5Very low129 Ų129142.8 Ų142.869%0.6981%0.806SS**  trans67.890.6154.4-59.4-12000121.2
578N33.5Very low31.7Very low239 Ų239142.8 Ų142.8100%1.27881%0.81SS**  168.5098.4-94.2-50.4000111.6

Retrieved 578 of 578 residues in 501.3 ms (Link to these results)