A0A061AE94_CAEEL Loading...

Major facilitator superfamily (MFS) profile domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AE94, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 463 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M34.9Very low41.3Very low244 Ų244173.4 Ų173.4100%1.20279%0.791SS**  0120.70-71.1172.7-169.200108.5C3M1-C3 PolarHBondContact O-N 3.16Å
2R32.5Very low42.1Very low253 Ų253165.8 Ų165.896%0.95576%0.759SS**PPolyproline II helixtrans-66120.4-178.5-77.6176.2176.4172.8-1.4109.3H4R2-H4 PolarHBondContact O-N 2.8Å
3C38.8Very low43Very low77 Ų77160.2 Ų160.252%0.5273%0.732SS.*PPolyproline II helixtrans-69.6119.4-178.7-151.70000109.7M1 R5 C216M1-C3 PolarHBondContact O-N 3.16Å; C3-R5 PolarHBondContact O-N 2.86Å; C3-C216 HydrophobicContact CB-CB 4.23Å; C3-C216 WeakPolarHBondContact CB-SG 3.28Å; C3-C216 VanDerWaalsContact SG-SG 3.7Å
4H41.1Very low44.2Very low181 Ų181156.9 Ų156.984%0.83872%0.717SS**PPolyproline II helixtrans-58124.3171.6-93.6-92.6000109.4R2 F6R2-H4 PolarHBondContact O-N 2.8Å; H4-F6 PolarHBondContact O-N 2.81Å
5R40Very low46.5Very low248 Ų248157.4 Ų157.494%0.93671%0.71SS**  trans-68.188.9178.2-85.1-179.3176.5174.7-0.7110.2C3 R7C3-R5 PolarHBondContact O-N 2.86Å; R5-R7 PolarHBondContact O-N 2.89Å
6F44.4Very low49Very low165 Ų165148.1 Ų148.172%0.72467%0.669SS**  trans-69.4117.4160.5-122-97.4000108.1H4 W8H4-F6 PolarHBondContact O-N 2.81Å; F6-W8 PolarHBondContact O-N 3.11Å
7R39.5Very low51.3Low251 Ų251140.6 Ų140.695%0.94763%0.634SS**  trans-72.192.8178.7-90.4179160.7-177.3-4.8109.4R5R5-R7 PolarHBondContact O-N 2.89Å
8W48.7Very low53.4Low117 Ų117136.6 Ų136.644%0.44361%0.613SS.*  trans-81.9146168.1-72.289000111.3F6 F207F6-W8 PolarHBondContact O-N 3.11Å; W8-F207 HydrophobicContact CZ2-CE1 4.34Å; W8-F207 HydrophobicContact CZ2-CZ 4.43Å
9N42.1Very low55.4Low136 Ų136131.2 Ų131.273%0.72759%0.592SS**  trans-49.9134.7175.7-105.4-22.3000111.9S11 M12N9-S11 PolarHBondContact O-N 2.9Å; N9-M12 PolarHBondContact O-N 3.25Å; N9-M12 VanDerWaalsContact O-N 3.09Å
10L45.7Very low57.3Low136 Ų136124.7 Ų124.771%0.71256%0.562SS**G310 helixtrans-55.8-25.2-173.4-86.898.6000114.6M12 K13L10-M12 VanDerWaalsContact C-N 3.34Å; L10-M12 PolarHBondContact O-N 2.78Å; L10-K13 PolarHBondContact O-N 3.5Å
11S46.5Very low59Low99 Ų99118.8 Ų118.869%0.69254%0.536SS*.G310 helixtrans-64.8-31.9178.3-1780000113.7N9N9-S11 PolarHBondContact O-N 2.9Å
12M51.4Low61.8Low83 Ų83112.2 Ų112.241%0.40950%0.504SS..G310 helixtrans-80.3-15.9-177.2-72.4-85.1-87.800113.7N9 L10 H14 R15 V19N9-M12 PolarHBondContact O-N 3.25Å; N9-M12 VanDerWaalsContact O-N 3.09Å; L10-M12 VanDerWaalsContact C-N 3.34Å; L10-M12 PolarHBondContact O-N 2.78Å; M12-H14 PolarHBondContact O-N 3.44Å; M12-R15 PolarHBondContact O-N 2.88Å; M12-V19 HydrophobicContact CE-CG2 3.59Å; M12-V19 HydrophobicContact SD-CG2 4.3Å
13K53Low64.7Low93 Ų93101.4 Ų101.440%0.40447%0.466SS..G310 helixtrans-67.9-18.3-177.2-78-174.2175.4-178.60114.6L10 T219L10-K13 PolarHBondContact O-N 3.5Å; K13-T219 PolarHBondContact O-OG1 2.79Å
14H60Low67.4Low113 Ų11397.8 Ų97.852%0.52344%0.441SS..G310 helixtrans-101.16.9-179.3-61.2-68.4000113.3M12M12-H14 PolarHBondContact O-N 3.44Å
15R78.4Confident69.9Low165 Ų16591.5 Ų91.562%0.62341%0.41SS*.  trans-143.528.6-171.4-68.3-169-175.2-160.83.2112.6M12 R17 W18 E222M12-R15 PolarHBondContact O-N 2.88Å; R15-R17 PolarHBondContact O-N 3.02Å; R15-W18 PolarHBondContact O-N 3.24Å; R15-W18 VanDerWaalsContact O-N 3.15Å; R15-E222 PolarHBondContact N-OE2 3.17Å; R15-E222 VanDerWaalsContact N-OE2 3.13Å
16I86.6Confident72.5Confident8 Ų883 Ų834%0.04138%0.382CS..Hα-helixtrans-62.5-31.6-174.1-169.964000112.4W18 V19 I20 W149 H215 L217 M218 E222I16-W18 PolarHBondContact O-N 3.25Å; I16-V19 HydrophobicContact CD1-CB 4.15Å; I16-V19 HydrophobicContact CD1-CG2 4.34Å; I16-V19 WeakPolarHBondContact O-CB 3.44Å; I16-V19 PolarHBondContact O-N 3.19Å; I16-I20 PolarHBondContact O-N 3.16Å; I16-W149 HydrophobicContact CG2-CZ3 4.23Å; I16-H215 VanDerWaalsContact CG1-CE1 3.49Å; I16-H215 WeakPolarHBondContact CG1-CE1 3.49Å; I16-L217 HydrophobicContact CD1-CB 4.13Å; I16-L217 HydrophobicContact CD1-CD1 3.96Å; I16-L217 HydrophobicContact CG1-CB 4.3Å; I16-M218 HydrophobicContact CG2-CE 3.65Å; I16-M218 HydrophobicContact CG2-SD 4.09Å; I16-E222 WeakPolarHBondContact CG2-OE1 3.41Å; I16-E222 WeakPolarHBondContact CG2-OE2 3.11Å; I16-E222 PolarHBondContact N-OE1 3.34Å; I16-E222 PolarHBondContact N-OE2 2.92Å
17R88.1Confident75Confident22 Ų2275.1 Ų75.18%0.08335%0.348CS..Hα-helixtrans-55.1-36.6175.668.8-168.4175.5153.12113.6R15 V19 I20 F21 W149 P151 E154 E222 H225R15-R17 PolarHBondContact O-N 3.02Å; R17-V19 VanDerWaalsContact C-N 3.35Å; R17-I20 WeakPolarHBondContact O-CB 3.44Å; R17-I20 PolarHBondContact O-N 3.48Å; R17-F21 HydrophobicContact CB-CE2 4.49Å; R17-F21 HydrophobicContact CB-CZ 4.37Å; R17-F21 WeakPolarHBondContact O-CD1 3.01Å; R17-F21 WeakPolarHBondContact O-CG 3.46Å; R17-F21 PolarHBondContact O-N 3Å; R17-W149 HydrophobicContact CB-CE3 4.44Å; R17-P151 VanDerWaalsContact NH1-CD 3.27Å; R17-E154 IonicContact CZ-OE2 3.04Å; R17-E154 IonicContact NH1-OE2 2.76Å; R17-E154 PolarHBondContact NH1-OE2 3.36Å; R17-E154 IonicContact NH2-OE1 2.69Å; R17-E154 IonicContact NH2-OE2 3.85Å; R17-E154 PolarHBondContact NH2-OE2 2.95Å; R17-E222 WeakPolarHBondContact CB-OE1 3.29Å; R17-E222 WeakPolarHBondContact CG-OE1 3.36Å; R17-E222 PolarHBondContact N-OE1 3.33Å; R17-H225 PolarHBondContact NH1-CD2 2.82Å; R17-H225 PolarHBondContact NH1-NE2 3.48Å
18W89.4Confident77.6Confident68 Ų6863.1 Ų63.126%0.25830%0.303SS..Hα-helixtrans-70.1-36.3179.3-68.2107.7000111.4R15 I16 I20 F21 I22 M157R15-W18 PolarHBondContact O-N 3.24Å; R15-W18 VanDerWaalsContact O-N 3.15Å; I16-W18 PolarHBondContact O-N 3.25Å; W18-I20 VanDerWaalsContact C-N 3.32Å; W18-F21 HydrophobicContact CD2-CD2 4.44Å; W18-F21 AromaticContact CE3-CD2 3.81Å; W18-F21 HydrophobicContact CE3-CD2 3.81Å; W18-F21 HydrophobicContact CE3-CE2 4.45Å; W18-F21 AromaticContact CZ3-CD2 3.95Å; W18-F21 HydrophobicContact CZ3-CD2 3.95Å; W18-F21 HydrophobicContact CZ3-CE2 4.36Å; W18-F21 PolarHBondContact O-N 2.86Å; W18-I22 VanDerWaalsContact O-CG1 3.31Å; W18-I22 WeakPolarHBondContact O-CG1 3.3Å; W18-I22 PolarHBondContact O-N 3.45Å; W18-M157 HydrophobicContact CH2-CB 4.2Å; W18-M157 HydrophobicContact CH2-CE 4.45Å; W18-M157 HydrophobicContact CH2-CG 3.34Å; W18-M157 HydrophobicContact CZ2-CG 4.42Å; W18-M157 HydrophobicContact CZ3-CG 3.84Å
19V91.6Very high79.8Confident34 Ų3457.6 Ų57.621%0.20628%0.282CS..Hα-helixtrans-62.6-44.5172.7-176.90000109.6M12 I16 R17 F21 I22 L23M12-V19 HydrophobicContact CE-CG2 3.59Å; M12-V19 HydrophobicContact SD-CG2 4.3Å; I16-V19 HydrophobicContact CD1-CB 4.15Å; I16-V19 HydrophobicContact CD1-CG2 4.34Å; I16-V19 WeakPolarHBondContact O-CB 3.44Å; I16-V19 PolarHBondContact O-N 3.19Å; R17-V19 VanDerWaalsContact C-N 3.35Å; V19-F21 VanDerWaalsContact C-N 3.35Å; V19-F21 PolarHBondContact O-N 3.26Å; V19-I22 PolarHBondContact O-N 2.85Å; V19-L23 HydrophobicContact CG1-CD1 3.98Å; V19-L23 HydrophobicContact CG1-CG 4.31Å; V19-L23 WeakPolarHBondContact O-CB 3.49Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.19Å; V19-L23 PolarHBondContact O-N 3.27Å
20I93.1Very high82.3Confident1 Ų151.4 Ų51.41%0.00525%0.249CC..Hα-helixtrans-61.7-41.2175.7-65.4-58.2000112I16 R17 W18 L23 T24 V145 W149 Y208I16-I20 PolarHBondContact O-N 3.16Å; R17-I20 WeakPolarHBondContact O-CB 3.44Å; R17-I20 PolarHBondContact O-N 3.48Å; W18-I20 VanDerWaalsContact C-N 3.32Å; I20-L23 PolarHBondContact O-N 3.45Å; I20-T24 VanDerWaalsContact O-CB 3.29Å; I20-T24 WeakPolarHBondContact O-CB 3.34Å; I20-T24 PolarHBondContact O-N 3.05Å; I20-T24 PolarHBondContact O-OG1 3.15Å; I20-V145 HydrophobicContact CG2-CG1 4.2Å; I20-W149 HydrophobicContact CB-CD2 4.47Å; I20-W149 HydrophobicContact CB-CE3 4.18Å; I20-W149 HydrophobicContact CB-CZ3 4.4Å; I20-W149 HydrophobicContact CD1-CH2 4.28Å; I20-W149 HydrophobicContact CD1-CZ3 4.49Å; I20-W149 HydrophobicContact CG1-CD2 4.35Å; I20-W149 HydrophobicContact CG1-CE3 3.85Å; I20-W149 HydrophobicContact CG1-CH2 3.82Å; I20-W149 HydrophobicContact CG1-CZ2 4.33Å; I20-W149 HydrophobicContact CG1-CZ3 3.56Å; I20-W149 HydrophobicContact CG2-CD2 4.04Å; I20-W149 HydrophobicContact CG2-CE3 4.26Å; I20-W149 HydrophobicContact CG2-CG 4.28Å; I20-Y208 HydrophobicContact CD1-CD2 4.34Å; I20-Y208 HydrophobicContact CG2-CD2 3.71Å; I20-Y208 HydrophobicContact CG2-CE2 3.86Å
21F93.5Very high84.7Confident1 Ų145 Ų450%0.00422%0.216CC..Hα-helixtrans-64.9-43.4176.8-62-19000112.2R17 W18 V19 T24 W25 V145 W149 S158 A161 L162R17-F21 HydrophobicContact CB-CE2 4.49Å; R17-F21 HydrophobicContact CB-CZ 4.37Å; R17-F21 WeakPolarHBondContact O-CD1 3.01Å; R17-F21 WeakPolarHBondContact O-CG 3.46Å; R17-F21 PolarHBondContact O-N 3Å; W18-F21 HydrophobicContact CD2-CD2 4.44Å; W18-F21 AromaticContact CE3-CD2 3.81Å; W18-F21 HydrophobicContact CE3-CD2 3.81Å; W18-F21 HydrophobicContact CE3-CE2 4.45Å; W18-F21 AromaticContact CZ3-CD2 3.95Å; W18-F21 HydrophobicContact CZ3-CD2 3.95Å; W18-F21 HydrophobicContact CZ3-CE2 4.36Å; W18-F21 PolarHBondContact O-N 2.86Å; V19-F21 VanDerWaalsContact C-N 3.35Å; V19-F21 PolarHBondContact O-N 3.26Å; F21-T24 PolarHBondContact O-N 3.05Å; F21-W25 WeakPolarHBondContact O-CB 3.37Å; F21-W25 PolarHBondContact O-N 3.14Å; F21-V145 HydrophobicContact CD1-CG1 3.94Å; F21-V145 HydrophobicContact CE1-CG1 3.93Å; F21-W149 HydrophobicContact CE1-CB 3.82Å; F21-W149 HydrophobicContact CZ-CB 4.37Å; F21-S158 WeakPolarHBondContact CE2-OG 3.3Å; F21-A161 HydrophobicContact CB-CB 4.27Å; F21-L162 HydrophobicContact CB-CD2 4.27Å; F21-L162 HydrophobicContact CD1-CD1 4.21Å; F21-L162 HydrophobicContact CD1-CD2 3.93Å; F21-L162 HydrophobicContact CD1-CG 4.12Å; F21-L162 HydrophobicContact CE1-CD1 4.3Å; F21-L162 HydrophobicContact CG-CD2 4.38Å; F21-L162 HydrophobicContact CG-CG 4.44Å
22I93.1Very high86.9Confident105 Ų10540.7 Ų40.754%0.53819%0.185SC..Hα-helixtrans-64.8-45.2176.6-67.9166.2000110.9W18 V19 T24 W25 L26W18-I22 VanDerWaalsContact O-CG1 3.31Å; W18-I22 WeakPolarHBondContact O-CG1 3.3Å; W18-I22 PolarHBondContact O-N 3.45Å; V19-I22 PolarHBondContact O-N 2.85Å; I22-T24 VanDerWaalsContact C-N 3.31Å; I22-T24 PolarHBondContact O-N 3.25Å; I22-W25 PolarHBondContact O-N 3.19Å; I22-L26 HydrophobicContact CG2-CD1 4.06Å; I22-L26 HydrophobicContact CG2-CG 4.48Å; I22-L26 WeakPolarHBondContact O-CB 3.38Å; I22-L26 WeakPolarHBondContact O-CG 3.37Å; I22-L26 PolarHBondContact O-N 2.78Å
23L93.9Very high88.8Confident27 Ų2736.8 Ų36.814%0.14117%0.166CC..Hα-helixtrans-62.4-40.2177.2-73.4176.7000111.8V19 I20 L26 Q27 I203 F207V19-L23 HydrophobicContact CG1-CD1 3.98Å; V19-L23 HydrophobicContact CG1-CG 4.31Å; V19-L23 WeakPolarHBondContact O-CB 3.49Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.19Å; V19-L23 PolarHBondContact O-N 3.27Å; I20-L23 PolarHBondContact O-N 3.45Å; L23-L26 PolarHBondContact O-N 3.32Å; L23-Q27 WeakPolarHBondContact O-CB 3.46Å; L23-Q27 PolarHBondContact O-N 3.17Å; L23-I203 HydrophobicContact CD2-CG2 3.76Å; L23-F207 HydrophobicContact CD1-CB 3.66Å; L23-F207 HydrophobicContact CD1-CG 4.13Å
24T95.4Very high90.7Very high0 Ų032.4 Ų32.40%015%0.146CC..Hα-helixtrans-68.1-41.2176.3-54.90000110.9I20 F21 I22 L26 Q27 L28 V141 V145 L162 W204I20-T24 VanDerWaalsContact O-CB 3.29Å; I20-T24 WeakPolarHBondContact O-CB 3.34Å; I20-T24 PolarHBondContact O-N 3.05Å; I20-T24 PolarHBondContact O-OG1 3.15Å; F21-T24 PolarHBondContact O-N 3.05Å; I22-T24 VanDerWaalsContact C-N 3.31Å; I22-T24 PolarHBondContact O-N 3.25Å; T24-L26 PolarHBondContact O-N 3.01Å; T24-Q27 PolarHBondContact O-N 3.34Å; T24-L28 HydrophobicContact CG2-CD1 3.95Å; T24-L28 HydrophobicContact CG2-CG 4.2Å; T24-L28 WeakPolarHBondContact O-CG 3.49Å; T24-L28 PolarHBondContact O-N 3.32Å; T24-V141 HydrophobicContact CG2-CG1 3.96Å; T24-V145 HydrophobicContact CG2-CG2 4.13Å; T24-L162 HydrophobicContact CG2-CD2 3.76Å; T24-W204 PolarHBondContact OG1-NE1 2.85Å
25W93.9Very high92.2Very high49 Ų4927 Ų2719%0.18612%0.121CC..Hα-helixtrans-60-45.4174.5-177.893.1000111.8F21 I22 Q27 G29 G164 F165 A168F21-W25 WeakPolarHBondContact O-CB 3.37Å; F21-W25 PolarHBondContact O-N 3.14Å; I22-W25 PolarHBondContact O-N 3.19Å; W25-Q27 VanDerWaalsContact C-N 3.32Å; W25-Q27 PolarHBondContact O-N 3.25Å; W25-G29 WeakPolarHBondContact O-CA 3.46Å; W25-G29 PolarHBondContact O-N 3.41Å; W25-G164 PolarHBondContact NE1-O 3.35Å; W25-G164 VanDerWaalsContact NE1-O 3.09Å; W25-F165 HydrophobicContact CG-CB 4.34Å; W25-A168 HydrophobicContact CH2-CB 4.28Å; W25-A168 HydrophobicContact CZ2-CB 4.32Å
26L94.3Very high92.7Very high69 Ų6920.2 Ų20.236%0.36110%0.097SC..Hα-helixtrans-62.1-41.2176.7-74.7169.5000111.4I22 L23 T24 S30I22-L26 HydrophobicContact CG2-CD1 4.06Å; I22-L26 HydrophobicContact CG2-CG 4.48Å; I22-L26 WeakPolarHBondContact O-CB 3.38Å; I22-L26 WeakPolarHBondContact O-CG 3.37Å; I22-L26 PolarHBondContact O-N 2.78Å; L23-L26 PolarHBondContact O-N 3.32Å; T24-L26 PolarHBondContact O-N 3.01Å; L26-S30 VanDerWaalsContact O-CB 3.29Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 3.22Å; L26-S30 PolarHBondContact O-OG 3.28Å
27Q96Very high92.8Very high0 Ų019.8 Ų19.80%010%0.095CC..Hα-helixtrans-63.9-56.2177.6-178.660.518.500112L23 T24 W25 G29 S30 V31 L99 S103 S200 T201 W204L23-Q27 WeakPolarHBondContact O-CB 3.46Å; L23-Q27 PolarHBondContact O-N 3.17Å; T24-Q27 PolarHBondContact O-N 3.34Å; W25-Q27 VanDerWaalsContact C-N 3.32Å; W25-Q27 PolarHBondContact O-N 3.25Å; Q27-G29 VanDerWaalsContact C-N 3.3Å; Q27-G29 PolarHBondContact O-N 3.22Å; Q27-S30 PolarHBondContact O-N 3.35Å; Q27-S30 VanDerWaalsContact O-N 3.17Å; Q27-V31 WeakPolarHBondContact O-CG2 3.31Å; Q27-V31 PolarHBondContact O-N 3Å; Q27-L99 HydrophobicContact CG-CD2 3.67Å; Q27-L99 HydrophobicContact CG-CG 4.28Å; Q27-S103 PolarHBondContact NE2-OG 2.93Å; Q27-S200 WeakPolarHBondContact CA-OG 3.21Å; Q27-S200 PolarHBondContact OE1-O 2.99Å; Q27-S200 PolarHBondContact OE1-OG 3.16Å; Q27-T201 PolarHBondContact NE2-OG1 3.15Å; Q27-W204 HydrophobicContact CB-CB 4.25Å; Q27-W204 HydrophobicContact CB-CG 4.04Å; Q27-W204 HydrophobicContact CG-CB 4.25Å; Q27-W204 HydrophobicContact CG-CD2 4.27Å; Q27-W204 HydrophobicContact CG-CG 4.02Å
28L95.4Very high92.8Very high0 Ų018.8 Ų18.80%09%0.091CC..Hα-helixtrans-62.8-39.3-179.8-63.1179.6000111.4T24 S30 V31 M32 L99 D138 V141 V142 F165T24-L28 HydrophobicContact CG2-CD1 3.95Å; T24-L28 HydrophobicContact CG2-CG 4.2Å; T24-L28 WeakPolarHBondContact O-CG 3.49Å; T24-L28 PolarHBondContact O-N 3.32Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 2.94Å; L28-V31 PolarHBondContact O-N 2.9Å; L28-M32 WeakPolarHBondContact O-CB 3.35Å; L28-M32 PolarHBondContact O-N 3.16Å; L28-L99 HydrophobicContact CD2-CD1 4.27Å; L28-L99 HydrophobicContact CD2-CD2 4.17Å; L28-D138 HydrophobicContact CD2-CB 4.11Å; L28-V141 HydrophobicContact CD2-CB 4.28Å; L28-V141 HydrophobicContact CD2-CG1 4.32Å; L28-V142 HydrophobicContact CD1-CG2 3.63Å; L28-F165 HydrophobicContact CB-CB 3.92Å; L28-F165 HydrophobicContact CB-CD1 4.11Å; L28-F165 HydrophobicContact CB-CD2 3.63Å; L28-F165 HydrophobicContact CB-CE2 4.13Å; L28-F165 HydrophobicContact CB-CG 3.61Å; L28-F165 HydrophobicContact CD1-CD1 4.03Å; L28-F165 HydrophobicContact CD1-CE1 4.22Å; L28-F165 HydrophobicContact CD1-CG 4.37Å
29G94.3Very high92.5Very high0 Ų018.1 Ų18.10%010%0.097CC..Hα-helixtrans-62.6-38.8175.100000112.7W25 Q27 M32 N33W25-G29 WeakPolarHBondContact O-CA 3.46Å; W25-G29 PolarHBondContact O-N 3.41Å; Q27-G29 VanDerWaalsContact C-N 3.3Å; Q27-G29 PolarHBondContact O-N 3.22Å; G29-M32 PolarHBondContact O-N 3.28Å; G29-N33 WeakPolarHBondContact O-CB 3.48Å; G29-N33 PolarHBondContact O-N 2.97Å; G29-N33 PolarHBondContact O-ND2 2.79Å; G29-N33 VanDerWaalsContact O-ND2 3.1Å
30S94.9Very high92Very high6 Ų618 Ų184%0.0429%0.094CC..Hα-helixtrans-68.3-40.6176.5-600000112.2L26 Q27 L28 N33 C34L26-S30 VanDerWaalsContact O-CB 3.29Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 3.22Å; L26-S30 PolarHBondContact O-OG 3.28Å; Q27-S30 PolarHBondContact O-N 3.35Å; Q27-S30 VanDerWaalsContact O-N 3.17Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 2.94Å; S30-N33 PolarHBondContact O-N 3.45Å; S30-C34 PolarHBondContact O-N 3.01Å; S30-C34 VanDerWaalsContact O-N 3.16Å; S30-C34 PolarHBondContact O-SG 3.45Å
31V95.3Very high91.4Very high2 Ų217.9 Ų17.91%0.0129%0.094CC..Hα-helixtrans-61.1-48.6174.3179.10000109.3Q27 L28 N33 C34 V35 S103 Y135 L197Q27-V31 WeakPolarHBondContact O-CG2 3.31Å; Q27-V31 PolarHBondContact O-N 3Å; L28-V31 PolarHBondContact O-N 2.9Å; V31-N33 PolarHBondContact O-N 2.83Å; V31-C34 WeakPolarHBondContact O-CB 3.42Å; V31-C34 PolarHBondContact O-N 3.04Å; V31-V35 WeakPolarHBondContact O-CG2 3.29Å; V31-V35 PolarHBondContact O-N 3.44Å; V31-S103 WeakPolarHBondContact CG2-OG 3.39Å; V31-Y135 HydrophobicContact CG1-CD2 3.96Å; V31-L197 HydrophobicContact CB-CD1 4.36Å; V31-L197 HydrophobicContact CG2-CD1 3.56Å
32M92.7Very high90.7Very high9 Ų918.4 Ų18.44%0.04410%0.096CC..Hα-helixtrans-60.3-44.8179.4-176163.7164.200112.4L28 G29 C34 V35 D36 Y135 F165 T166L28-M32 WeakPolarHBondContact O-CB 3.35Å; L28-M32 PolarHBondContact O-N 3.16Å; G29-M32 PolarHBondContact O-N 3.28Å; M32-C34 VanDerWaalsContact C-N 3.28Å; M32-C34 PolarHBondContact O-N 3.42Å; M32-V35 PolarHBondContact O-N 2.97Å; M32-D36 WeakPolarHBondContact CE-OD2 3.3Å; M32-D36 WeakPolarHBondContact CG-OD2 3.28Å; M32-D36 WeakPolarHBondContact O-CB 3.24Å; M32-D36 PolarHBondContact O-N 3.36Å; M32-Y135 HydrophobicContact CB-CE2 4.18Å; M32-Y135 HydrophobicContact CG-CE2 4.43Å; M32-F165 HydrophobicContact CB-CD2 4.28Å; M32-F165 HydrophobicContact CB-CE2 4.34Å; M32-F165 HydrophobicContact SD-CD2 3.97Å; M32-F165 HydrophobicContact SD-CE2 3.84Å; M32-T166 VanDerWaalsContact CE-O 3.28Å; M32-T166 WeakPolarHBondContact CE-O 3.37Å; M32-T166 HydrophobicContact SD-CG2 4.48Å
33N92.8Very high89.8Confident1 Ų117.7 Ų17.71%0.00510%0.097CC..Hα-helixtrans-59-38.4176.2-70.7-31.2000112.5G29 S30 V31 V35 V37 A168 R169 I172 Q173 L193G29-N33 WeakPolarHBondContact O-CB 3.48Å; G29-N33 PolarHBondContact O-N 2.97Å; G29-N33 PolarHBondContact O-ND2 2.79Å; G29-N33 VanDerWaalsContact O-ND2 3.1Å; S30-N33 PolarHBondContact O-N 3.45Å; V31-N33 PolarHBondContact O-N 2.83Å; N33-V35 PolarHBondContact O-N 3.42Å; N33-V37 WeakPolarHBondContact O-CB 3.23Å; N33-V37 PolarHBondContact O-N 3.3Å; N33-A168 VanDerWaalsContact OD1-C 3.29Å; N33-A168 PolarHBondContact OD1-O 2.72Å; N33-R169 WeakPolarHBondContact OD1-CA 3.48Å; N33-R169 PolarHBondContact OD1-N 3.01Å; N33-R169 VanDerWaalsContact OD1-N 3.15Å; N33-I172 WeakPolarHBondContact ND2-CB 3.28Å; N33-Q173 HydrophobicContact CB-CB 4.42Å; N33-Q173 PolarHBondContact O-OE1 3.5Å; N33-L193 HydrophobicContact CB-CD1 4.45Å; N33-L193 HydrophobicContact CB-CD2 4.06Å
34C93.2Very high89Confident0 Ų018.4 Ų18.40%010%0.097CC..Hα-helixtrans-67.5-26.2177.5-70.90000113.2S30 V31 M32 V37 T110 Q131 L193 L197S30-C34 PolarHBondContact O-N 3.01Å; S30-C34 VanDerWaalsContact O-N 3.16Å; S30-C34 PolarHBondContact O-SG 3.45Å; V31-C34 WeakPolarHBondContact O-CB 3.42Å; V31-C34 PolarHBondContact O-N 3.04Å; M32-C34 VanDerWaalsContact C-N 3.28Å; M32-C34 PolarHBondContact O-N 3.42Å; C34-V37 WeakPolarHBondContact O-CG1 3.49Å; C34-T110 HydrophobicContact CB-CG2 3.9Å; C34-T110 WeakPolarHBondContact O-CG2 3.24Å; C34-Q131 PolarHBondContact O-NE2 3.21Å; C34-Q131 VanDerWaalsContact O-NE2 3.14Å; C34-L193 PolarHBondContact SG-O 3.18Å; C34-L193 VanDerWaalsContact SG-O 3.4Å; C34-L197 HydrophobicContact CB-CD2 4.03Å; C34-L197 VanDerWaalsContact SG-CD2 3.55Å
35V90.5Very high88Confident0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-88.3-37.4-179.8172.50000111.1V31 M32 N33 M75 R128 Q131 Y135V31-V35 WeakPolarHBondContact O-CG2 3.29Å; V31-V35 PolarHBondContact O-N 3.44Å; M32-V35 PolarHBondContact O-N 2.97Å; N33-V35 PolarHBondContact O-N 3.42Å; V35-M75 HydrophobicContact CG1-CE 3.2Å; V35-M75 HydrophobicContact CG1-CG 3.82Å; V35-M75 HydrophobicContact CG1-SD 3.46Å; V35-M75 WeakPolarHBondContact CG1-SD 3.34Å; V35-R128 PolarHBondContact O-NH1 2.93Å; V35-Q131 HydrophobicContact CG2-CB 4.42Å; V35-Y135 HydrophobicContact CB-CD2 4.46Å; V35-Y135 HydrophobicContact CG1-CG 4.4Å; V35-Y135 HydrophobicContact CG2-CD2 4.04Å; V35-Y135 HydrophobicContact CG2-CG 4.23Å
36D88.3Confident87Confident22 Ų2220.4 Ų20.412%0.11811%0.109CC..Hα-helixtrans-81.1-13.4179.8-74.7-8.7000113.5M32 F38 S39 Q173M32-D36 WeakPolarHBondContact CE-OD2 3.3Å; M32-D36 WeakPolarHBondContact CG-OD2 3.28Å; M32-D36 WeakPolarHBondContact O-CB 3.24Å; M32-D36 PolarHBondContact O-N 3.36Å; D36-F38 PolarHBondContact O-N 3.05Å; D36-S39 PolarHBondContact O-N 3.32Å; D36-Q173 VanDerWaalsContact C-NE2 3.31Å; D36-Q173 PolarHBondContact O-NE2 2.8Å
37V90.1Very high85.9Confident0 Ų021.2 Ų21.20%011%0.11CC..Hα-helixtrans-54.3-32.5175.971.10000113N33 C34 S39 F40 S41 T110 Q173 I189 Y190 L193N33-V37 WeakPolarHBondContact O-CB 3.23Å; N33-V37 PolarHBondContact O-N 3.3Å; C34-V37 WeakPolarHBondContact O-CG1 3.49Å; V37-S39 PolarHBondContact O-N 2.81Å; V37-F40 WeakPolarHBondContact O-CB 3.45Å; V37-F40 PolarHBondContact O-N 2.87Å; V37-S41 PolarHBondContact O-N 3.36Å; V37-S41 PolarHBondContact O-OG 3.05Å; V37-T110 HydrophobicContact CG1-CG2 4.17Å; V37-Q173 VanDerWaalsContact CA-NE2 3.32Å; V37-I189 HydrophobicContact CG2-CB 4.49Å; V37-I189 HydrophobicContact CG2-CD1 4.24Å; V37-I189 HydrophobicContact CG2-CG1 4.37Å; V37-I189 HydrophobicContact CG2-CG2 3.44Å; V37-I189 VanDerWaalsContact CG2-CG2 3.44Å; V37-Y190 HydrophobicContact CB-CE1 4.37Å; V37-Y190 HydrophobicContact CG1-CD1 3.7Å; V37-Y190 HydrophobicContact CG1-CE1 3.33Å; V37-Y190 HydrophobicContact CG2-CD1 4.24Å; V37-Y190 HydrophobicContact CG2-CD2 4.23Å; V37-Y190 HydrophobicContact CG2-CE1 4.14Å; V37-Y190 HydrophobicContact CG2-CE2 4.06Å; V37-Y190 HydrophobicContact CG2-CG 4.31Å; V37-L193 HydrophobicContact CB-CD1 3.78Å; V37-L193 HydrophobicContact CG2-CD1 3.64Å
38F87.9Confident84.8Confident0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-59.3-46.6179.3177-99.9000111.6D36 F40 S41 M42 L71 I72 L117 R128 Y190D36-F38 PolarHBondContact O-N 3.05Å; F38-F40 PolarHBondContact O-N 3.41Å; F38-S41 WeakPolarHBondContact O-CB 3.38Å; F38-S41 PolarHBondContact O-N 3.1Å; F38-M42 HydrophobicContact CD1-CG 4.04Å; F38-M42 HydrophobicContact CD2-SD 4.47Å; F38-M42 HydrophobicContact CE1-CG 3.54Å; F38-M42 HydrophobicContact CE1-SD 3.98Å; F38-M42 HydrophobicContact CE2-CG 4.1Å; F38-M42 HydrophobicContact CE2-SD 3.62Å; F38-M42 HydrophobicContact CZ-CE 4.46Å; F38-M42 HydrophobicContact CZ-CG 3.57Å; F38-M42 HydrophobicContact CZ-SD 3.32Å; F38-M42 WeakPolarHBondContact CZ-SD 3.36Å; F38-M42 WeakPolarHBondContact O-CG 3.47Å; F38-M42 PolarHBondContact O-N 2.68Å; F38-L71 HydrophobicContact CE1-CB 3.75Å; F38-L71 HydrophobicContact CE2-CB 4.32Å; F38-L71 HydrophobicContact CE2-CD1 4.08Å; F38-L71 HydrophobicContact CZ-CB 3.42Å; F38-L71 VanDerWaalsContact CZ-CB 3.42Å; F38-L71 HydrophobicContact CZ-CD1 3.62Å; F38-L71 HydrophobicContact CZ-CG 4.09Å; F38-I72 HydrophobicContact CD1-CG1 4.48Å; F38-I72 HydrophobicContact CE1-CG1 4.06Å; F38-L117 HydrophobicContact CE2-CD2 3.93Å; F38-R128 VanDerWaalsContact CD1-CZ 3.49Å; F38-R128 VanDerWaalsContact CD1-NH2 3.32Å; F38-Y190 WeakPolarHBondContact CA-OH 3.27Å
39S81.6Confident83.6Confident54 Ų5425.6 Ų25.638%0.37814%0.136SC..Hα-helixtrans-59.2-35.2179.8-53.30000112D36 V37 V43D36-S39 PolarHBondContact O-N 3.32Å; V37-S39 PolarHBondContact O-N 2.81Å; S39-V43 WeakPolarHBondContact O-CG2 3.38Å; S39-V43 PolarHBondContact O-N 3.4Å
40F81.1Confident82.4Confident31 Ų3128.9 Ų28.914%0.13616%0.156CC..Hα-helixtrans-65.8-42.9173.2156.1-101.4000112.2V37 F38 M42 V43 Y44 A177 T181 W186 I189V37-F40 WeakPolarHBondContact O-CB 3.45Å; V37-F40 PolarHBondContact O-N 2.87Å; F38-F40 PolarHBondContact O-N 3.41Å; F40-M42 VanDerWaalsContact C-N 3.3Å; F40-M42 PolarHBondContact O-N 3Å; F40-V43 PolarHBondContact O-N 3.21Å; F40-Y44 PolarHBondContact O-N 3.46Å; F40-A177 HydrophobicContact CD1-CB 4.21Å; F40-A177 HydrophobicContact CD2-CB 3.45Å; F40-A177 VanDerWaalsContact CD2-CB 3.45Å; F40-A177 HydrophobicContact CE1-CB 4.11Å; F40-A177 HydrophobicContact CE2-CB 3.34Å; F40-A177 HydrophobicContact CG-CB 3.89Å; F40-A177 HydrophobicContact CZ-CB 3.68Å; F40-T181 HydrophobicContact CE2-CG2 3.46Å; F40-T181 VanDerWaalsContact CE2-CG2 3.46Å; F40-T181 HydrophobicContact CZ-CG2 3.34Å; F40-W186 HydrophobicContact CE1-CB 4.31Å; F40-I189 HydrophobicContact CD1-CD1 3.71Å; F40-I189 HydrophobicContact CD1-CG2 4.05Å; F40-I189 HydrophobicContact CE1-CB 4.36Å; F40-I189 HydrophobicContact CE1-CD1 3.73Å; F40-I189 HydrophobicContact CE1-CG2 3.85Å; F40-I189 HydrophobicContact CG-CD1 4.42Å; F40-I189 HydrophobicContact CZ-CD1 4.45Å
41S82.3Confident81.3Confident0 Ų032.5 Ų32.50%017%0.174CC..Hα-helixtrans-64.2-37.9-179.9-55.10000112V37 F38 Y44 M45 Y190V37-S41 PolarHBondContact O-N 3.36Å; V37-S41 PolarHBondContact O-OG 3.05Å; F38-S41 WeakPolarHBondContact O-CB 3.38Å; F38-S41 PolarHBondContact O-N 3.1Å; S41-Y44 PolarHBondContact O-N 2.65Å; S41-M45 WeakPolarHBondContact O-CB 3.42Å; S41-M45 VanDerWaalsContact O-CG 3.25Å; S41-M45 WeakPolarHBondContact O-CG 3.43Å; S41-M45 PolarHBondContact O-N 3.16Å; S41-Y190 WeakPolarHBondContact CB-OH 3.48Å; S41-Y190 WeakPolarHBondContact OG-CE2 3.28Å; S41-Y190 VanDerWaalsContact OG-CZ 3.31Å; S41-Y190 PolarHBondContact OG-OH 2.98Å
42M78Confident80.1Confident12 Ų1233 Ų336%0.05918%0.178CC..Hα-helixtrans-61.1-46.6176.3-63.1-47.4-60.600112.2F38 F40 Y44 M45 E46 Y63 K68F38-M42 HydrophobicContact CD1-CG 4.04Å; F38-M42 HydrophobicContact CD2-SD 4.47Å; F38-M42 HydrophobicContact CE1-CG 3.54Å; F38-M42 HydrophobicContact CE1-SD 3.98Å; F38-M42 HydrophobicContact CE2-CG 4.1Å; F38-M42 HydrophobicContact CE2-SD 3.62Å; F38-M42 HydrophobicContact CZ-CE 4.46Å; F38-M42 HydrophobicContact CZ-CG 3.57Å; F38-M42 HydrophobicContact CZ-SD 3.32Å; F38-M42 WeakPolarHBondContact CZ-SD 3.36Å; F38-M42 WeakPolarHBondContact O-CG 3.47Å; F38-M42 PolarHBondContact O-N 2.68Å; F40-M42 VanDerWaalsContact C-N 3.3Å; F40-M42 PolarHBondContact O-N 3Å; M42-Y44 VanDerWaalsContact C-N 3.31Å; M42-Y44 PolarHBondContact O-N 3.14Å; M42-M45 PolarHBondContact O-N 2.8Å; M42-M45 HydrophobicContact SD-SD 4.45Å; M42-E46 WeakPolarHBondContact O-CB 3.32Å; M42-E46 PolarHBondContact O-N 2.87Å; M42-Y63 HydrophobicContact CE-CD2 4.47Å; M42-K68 HydrophobicContact CE-CB 3.8Å; M42-K68 HydrophobicContact CE-CD 3.32Å; M42-K68 HydrophobicContact CE-CG 3.22Å
43V74.6Confident78.9Confident90 Ų9036.2 Ų36.255%0.54521%0.206SC..Hα-helixtrans-62.4-40.5176.6173.90000111.2S39 F40 K47S39-V43 WeakPolarHBondContact O-CG2 3.38Å; S39-V43 PolarHBondContact O-N 3.4Å; F40-V43 PolarHBondContact O-N 3.21Å; V43-K47 PolarHBondContact O-N 3.3Å; V43-K47 VanDerWaalsContact O-N 3.09Å
44Y76.2Confident78.1Confident41 Ų4144 Ų4416%0.16124%0.242CC..Hα-helixtrans-65.9-46.2177.7-177.3-91.3000112.5F40 S41 M42 E46 K47 N48 T181 W186F40-Y44 PolarHBondContact O-N 3.46Å; S41-Y44 PolarHBondContact O-N 2.65Å; M42-Y44 VanDerWaalsContact C-N 3.31Å; M42-Y44 PolarHBondContact O-N 3.14Å; Y44-E46 VanDerWaalsContact C-N 3.31Å; Y44-E46 PolarHBondContact O-N 2.61Å; Y44-K47 PolarHBondContact O-N 3.06Å; Y44-N48 WeakPolarHBondContact CE1-ND2 3.32Å; Y44-N48 PolarHBondContact O-N 3.15Å; Y44-N48 VanDerWaalsContact O-N 3.07Å; Y44-T181 HydrophobicContact CD2-CG2 3.29Å; Y44-T181 HydrophobicContact CE2-CG2 3.54Å; Y44-T181 HydrophobicContact CG-CG2 4.3Å; Y44-W186 HydrophobicContact CD1-CB 3.63Å; Y44-W186 AromaticContact CD1-CD1 3.54Å; Y44-W186 AromaticContact CD1-CG 3.9Å; Y44-W186 HydrophobicContact CD1-CG 3.9Å; Y44-W186 HydrophobicContact CE1-CB 4.05Å; Y44-W186 AromaticContact CE1-CD1 3.62Å; Y44-W186 HydrophobicContact CE1-CG 4.23Å; Y44-W186 HydrophobicContact CG-CB 4.06Å
45M75.5Confident77.3Confident12 Ų1247.1 Ų47.16%0.05927%0.268CS..Hα-helixtrans-61-42.1177.2-72.3172177.900111.1S41 M42 K47 N48 S49 L117 W186S41-M45 WeakPolarHBondContact O-CB 3.42Å; S41-M45 VanDerWaalsContact O-CG 3.25Å; S41-M45 WeakPolarHBondContact O-CG 3.43Å; S41-M45 PolarHBondContact O-N 3.16Å; M42-M45 PolarHBondContact O-N 2.8Å; M42-M45 HydrophobicContact SD-SD 4.45Å; M45-K47 PolarHBondContact O-N 3.37Å; M45-N48 PolarHBondContact O-N 2.92Å; M45-S49 WeakPolarHBondContact O-CB 3.46Å; M45-S49 PolarHBondContact O-N 3.14Å; M45-S49 PolarHBondContact O-OG 3.31Å; M45-L117 HydrophobicContact CE-CD1 4.38Å; M45-W186 HydrophobicContact CE-CD2 3.95Å; M45-W186 HydrophobicContact CE-CE3 4.33Å; M45-W186 HydrophobicContact CE-CH2 3.59Å; M45-W186 HydrophobicContact CE-CZ2 3.14Å; M45-W186 HydrophobicContact CE-CZ3 4.16Å
46E72.4Confident76.3Confident80 Ų8050.5 Ų50.537%0.37430%0.303SS..Hα-helixtrans-61.3-46.1177.6-169.3164.5152.200112.2M42 Y44 N48 S49 T50 K68M42-E46 WeakPolarHBondContact O-CB 3.32Å; M42-E46 PolarHBondContact O-N 2.87Å; Y44-E46 VanDerWaalsContact C-N 3.31Å; Y44-E46 PolarHBondContact O-N 2.61Å; E46-N48 VanDerWaalsContact C-N 3.32Å; E46-N48 PolarHBondContact O-N 3.05Å; E46-S49 WeakPolarHBondContact CA-OG 3.45Å; E46-S49 PolarHBondContact O-N 3.05Å; E46-S49 VanDerWaalsContact O-N 3.16Å; E46-S49 PolarHBondContact O-OG 3.4Å; E46-T50 PolarHBondContact O-N 2.99Å; E46-T50 PolarHBondContact O-OG1 3.21Å; E46-K68 IonicContact OE2-NZ 3.64Å; E46-K68 PolarHBondContact OE2-NZ 3.23Å
47K71.9Confident75.5Confident86 Ų8655.1 Ų55.137%0.37433%0.327SS..Hα-helixtrans-59.1-43175.2-171.1-171.6-179.8-165.40112.2V43 Y44 M45 S49 T50 I51V43-K47 PolarHBondContact O-N 3.3Å; V43-K47 VanDerWaalsContact O-N 3.09Å; Y44-K47 PolarHBondContact O-N 3.06Å; M45-K47 PolarHBondContact O-N 3.37Å; K47-S49 VanDerWaalsContact C-N 3.32Å; K47-T50 PolarHBondContact O-OG1 3.39Å; K47-I51 HydrophobicContact CG-CD1 4.12Å; K47-I51 WeakPolarHBondContact O-CD1 3.37Å; K47-I51 VanDerWaalsContact O-CG1 3.24Å; K47-I51 WeakPolarHBondContact O-CG1 3.34Å; K47-I51 PolarHBondContact O-N 3.06Å
48N72.9Confident73.8Confident63 Ų6363 Ų6334%0.33737%0.369SS..Hα-helixtrans-67.9-36.2178.5-80.15.6000111.6Y44 M45 E46 I51 A52Y44-N48 WeakPolarHBondContact CE1-ND2 3.32Å; Y44-N48 PolarHBondContact O-N 3.15Å; Y44-N48 VanDerWaalsContact O-N 3.07Å; M45-N48 PolarHBondContact O-N 2.92Å; E46-N48 VanDerWaalsContact C-N 3.32Å; E46-N48 PolarHBondContact O-N 3.05Å; N48-I51 PolarHBondContact O-N 3.48Å; N48-A52 WeakPolarHBondContact O-CB 3.47Å; N48-A52 PolarHBondContact O-N 2.88Å
49S69.6Low72.2Confident29 Ų2965.2 Ų65.220%0.20338%0.381CS..Hα-helixtrans-66.1-39177.172.50000113.2M45 E46 K47 I51 A52 A53 D59M45-S49 WeakPolarHBondContact O-CB 3.46Å; M45-S49 PolarHBondContact O-N 3.14Å; M45-S49 PolarHBondContact O-OG 3.31Å; E46-S49 WeakPolarHBondContact CA-OG 3.45Å; E46-S49 PolarHBondContact O-N 3.05Å; E46-S49 VanDerWaalsContact O-N 3.16Å; E46-S49 PolarHBondContact O-OG 3.4Å; K47-S49 VanDerWaalsContact C-N 3.32Å; S49-I51 VanDerWaalsContact C-N 3.35Å; S49-A52 PolarHBondContact O-N 3.39Å; S49-A53 VanDerWaalsContact O-CB 3.3Å; S49-A53 WeakPolarHBondContact O-CB 3.42Å; S49-A53 PolarHBondContact O-N 2.98Å; S49-D59 WeakPolarHBondContact CA-OD2 3.35Å; S49-D59 WeakPolarHBondContact CB-OD2 3.34Å; S49-D59 PolarHBondContact N-OD2 2.85Å
50T69.3Low70.9Confident69 Ų6969.5 Ų69.542%0.42340%0.398SS..Hα-helixtrans-65.2-41.3174.953.70000111E46 K47 A53 E54E46-T50 PolarHBondContact O-N 2.99Å; E46-T50 PolarHBondContact O-OG1 3.21Å; K47-T50 PolarHBondContact O-OG1 3.39Å; T50-A53 PolarHBondContact O-N 2.93Å; T50-E54 WeakPolarHBondContact O-CB 3.26Å; T50-E54 WeakPolarHBondContact O-CG 3.4Å; T50-E54 PolarHBondContact O-N 3.23Å
51I72.3Confident69.9Low82 Ų8271.7 Ų71.742%0.42141%0.406SS..Hα-helixtrans-65.4-42176.7-65.9165.2000111.2K47 N48 S49 E54 A55K47-I51 HydrophobicContact CG-CD1 4.12Å; K47-I51 WeakPolarHBondContact O-CD1 3.37Å; K47-I51 VanDerWaalsContact O-CG1 3.24Å; K47-I51 WeakPolarHBondContact O-CG1 3.34Å; K47-I51 PolarHBondContact O-N 3.06Å; N48-I51 PolarHBondContact O-N 3.48Å; S49-I51 VanDerWaalsContact C-N 3.35Å; I51-E54 PolarHBondContact O-N 2.94Å; I51-A55 WeakPolarHBondContact O-CB 3.45Å; I51-A55 PolarHBondContact O-N 2.85Å
52A68.4Low68.9Low13 Ų1377.5 Ų77.511%0.10744%0.436CS..Hα-helixtrans-65.1-42.8177.900000111.6N48 S49 A55 G56 L57 D59N48-A52 WeakPolarHBondContact O-CB 3.47Å; N48-A52 PolarHBondContact O-N 2.88Å; S49-A52 PolarHBondContact O-N 3.39Å; A52-A55 CarbonylContact O-C 3.56Å; A52-A55 WeakPolarHBondContact O-CA 3.38Å; A52-A55 PolarHBondContact O-N 3.03Å; A52-A55 VanDerWaalsContact O-N 3.1Å; A52-G56 PolarHBondContact O-N 2.93Å; A52-L57 HydrophobicContact CB-CB 4.31Å; A52-L57 PolarHBondContact O-N 3.45Å; A52-D59 HydrophobicContact CB-CB 3.89Å
53A69.2Low68.6Low75 Ų7578.1 Ų78.162%0.6244%0.437SS*.Hα-helixtrans-62.1-43.2175.300000112.1S49 T50 A55 G56S49-A53 VanDerWaalsContact O-CB 3.3Å; S49-A53 WeakPolarHBondContact O-CB 3.42Å; S49-A53 PolarHBondContact O-N 2.98Å; T50-A53 PolarHBondContact O-N 2.93Å; A53-A55 PolarHBondContact O-N 3.28Å; A53-G56 PolarHBondContact O-N 3.32Å; A53-G56 VanDerWaalsContact O-N 3.17Å
54E74.3Confident68.5Low166 Ų16677.2 Ų77.278%0.77643%0.432SS*.Hα-helixtrans-61.7-32.4173-75.3174.5-176.200112.4T50 I51T50-E54 WeakPolarHBondContact O-CB 3.26Å; T50-E54 WeakPolarHBondContact O-CG 3.4Å; T50-E54 PolarHBondContact O-N 3.23Å; I51-E54 PolarHBondContact O-N 2.94Å
55A76.2Confident68.2Low65 Ų6580.9 Ų80.954%0.53745%0.454SS..THydrogen-bonded Turntrans-85.9-0.7177.900000114.2I51 A52 A53 L57I51-A55 WeakPolarHBondContact O-CB 3.45Å; I51-A55 PolarHBondContact O-N 2.85Å; A52-A55 CarbonylContact O-C 3.56Å; A52-A55 WeakPolarHBondContact O-CA 3.38Å; A52-A55 PolarHBondContact O-N 3.03Å; A52-A55 VanDerWaalsContact O-N 3.1Å; A53-A55 PolarHBondContact O-N 3.28Å; A55-L57 VanDerWaalsContact C-N 3.25Å; A55-L57 HydrophobicContact CB-CD1 4.04Å; A55-L57 HydrophobicContact CB-CG 4.26Å; A55-L57 PolarHBondContact O-N 2.73Å
56G71.1Confident68.1Low71 Ų7188 Ų8873%0.73249%0.487SS*.THydrogen-bonded Turntrans65.924.3-176.600000114.2A52 A53A52-G56 PolarHBondContact O-N 2.93Å; A53-G56 PolarHBondContact O-N 3.32Å; A53-G56 VanDerWaalsContact O-N 3.17Å
57L70.2Confident68.6Low118 Ų11886.9 Ų86.962%0.61848%0.482SS*.  trans-96.7133.6176.7-67.6166.9000109.7A52 A55 D59A52-L57 HydrophobicContact CB-CB 4.31Å; A52-L57 PolarHBondContact O-N 3.45Å; A55-L57 VanDerWaalsContact C-N 3.25Å; A55-L57 HydrophobicContact CB-CD1 4.04Å; A55-L57 HydrophobicContact CB-CG 4.26Å; A55-L57 PolarHBondContact O-N 2.73Å; L57-D59 PolarHBondContact O-N 3.17Å
58D56.1Low68.8Low166 Ų16684.2 Ų84.289%0.88847%0.47SS*.  trans-65.8114.1168.3-77.2-27.9000108.9
59D54.3Low69Low46 Ų4683.1 Ų83.125%0.24647%0.468CS..  trans-80.1134.9176-159.98.6000110.6S49 A52 L57 Y61 I62S49-D59 WeakPolarHBondContact CA-OD2 3.35Å; S49-D59 WeakPolarHBondContact CB-OD2 3.34Å; S49-D59 PolarHBondContact N-OD2 2.85Å; A52-D59 HydrophobicContact CB-CB 3.89Å; L57-D59 PolarHBondContact O-N 3.17Å; D59-Y61 VanDerWaalsContact C-N 3.3Å; D59-Y61 PolarHBondContact O-N 2.91Å; D59-I62 HydrophobicContact CB-CD1 4.36Å; D59-I62 HydrophobicContact CB-CG1 4.21Å
60I53.3Low69.8Low145 Ų14583.9 Ų83.974%0.74447%0.473SS*.SBendtrans-83.1-10.7-168.2-55.3170.2000111.2
61Y59.2Low70.6Confident76 Ų7680.6 Ų80.630%0.29845%0.453SS..  trans-129.557.7-169.7-70.7-88.5000114D59 Y63 D118 R187D59-Y61 VanDerWaalsContact C-N 3.3Å; D59-Y61 PolarHBondContact O-N 2.91Å; Y61-Y63 PolarHBondContact O-N 3.44Å; Y61-D118 VanDerWaalsContact CE1-OD1 3.23Å; Y61-D118 WeakPolarHBondContact CE1-OD1 3.34Å; Y61-D118 PolarHBondContact OH-OD1 3.03Å; Y61-R187 PolarHBondContact OH-NH2 3.26Å; Y61-R187 VanDerWaalsContact OH-NH2 3.08Å
62I61.7Low71.1Confident122 Ų12278.6 Ų78.663%0.62644%0.443SS*.  trans-9595179.6-52.5174.1000110D59D59-I62 HydrophobicContact CB-CD1 4.36Å; D59-I62 HydrophobicContact CB-CG1 4.21Å
63Y72.3Confident72Confident25 Ų2579.2 Ų79.210%0.09845%0.446CS..  trans-78.4129.9159.9-71.7-73000109.3M42 Y61 E67 K68 L71 L117 Y121M42-Y63 HydrophobicContact CE-CD2 4.47Å; Y61-Y63 PolarHBondContact O-N 3.44Å; Y63-E67 HydrophobicContact CD1-CB 4.15Å; Y63-K68 WeakPolarHBondContact O-CE 3.31Å; Y63-L71 HydrophobicContact CE1-CD1 4.48Å; Y63-L117 HydrophobicContact CE2-CD2 4.2Å; Y63-L117 PolarHBondContact OH-O 2.87Å; Y63-Y121 AromaticContact CD1-CD2 3.92Å; Y63-Y121 HydrophobicContact CD1-CD2 3.92Å; Y63-Y121 AromaticContact CE1-CD2 3.72Å; Y63-Y121 HydrophobicContact CE1-CD2 3.72Å; Y63-Y121 HydrophobicContact CE1-CG 4.35Å
64T73.3Confident73.1Confident71 Ų7175.9 Ų75.944%0.43642%0.418SS..  trans-63.6153.5172.961.40000110.8E66 E67 K68T64-E66 PolarHBondContact O-N 3.47Å; T64-E66 VanDerWaalsContact O-N 3.13Å; T64-E67 PolarHBondContact N-OE2 3Å; T64-E67 WeakPolarHBondContact O-CB 3.25Å; T64-E67 PolarHBondContact O-N 2.91Å; T64-E67 WeakPolarHBondContact OG1-CB 3.04Å; T64-E67 WeakPolarHBondContact OG1-CG 3.46Å; T64-E67 PolarHBondContact OG1-N 3.13Å; T64-E67 PolarHBondContact OG1-OE2 3.35Å; T64-K68 VanDerWaalsContact O-CG 3.31Å; T64-K68 WeakPolarHBondContact O-CG 3.31Å; T64-K68 PolarHBondContact O-N 2.97Å
65L69.4Low73.9Confident118 Ų11868.9 Ų68.962%0.61839%0.386SS*.Hα-helixtrans-53.3-36.4178.8-176.664.8000112.2K68 S69L65-K68 PolarHBondContact O-N 3.12Å; L65-S69 WeakPolarHBondContact O-CB 3.46Å; L65-S69 PolarHBondContact O-N 3.49Å; L65-S69 PolarHBondContact O-OG 3.31Å
66E73.8Confident74.6Confident162 Ų16265.8 Ų65.876%0.75736%0.361SS*.Hα-helixtrans-64.2-46.6175.2-64-17417700112.2T64 S69 S70T64-E66 PolarHBondContact O-N 3.47Å; T64-E66 VanDerWaalsContact O-N 3.13Å; E66-S69 PolarHBondContact O-N 2.88Å; E66-S70 VanDerWaalsContact O-CB 3.32Å; E66-S70 WeakPolarHBondContact O-CB 3.29Å; E66-S70 PolarHBondContact O-N 3.01Å
67E82.1Confident75.7Confident56 Ų5665.9 Ų65.926%0.26234%0.344SS..Hα-helixtrans-62.4-42.9175.8-74.6169.8141.100111.9Y63 T64 S69 S70 L71 Y121Y63-E67 HydrophobicContact CD1-CB 4.15Å; T64-E67 PolarHBondContact N-OE2 3Å; T64-E67 WeakPolarHBondContact O-CB 3.25Å; T64-E67 PolarHBondContact O-N 2.91Å; T64-E67 WeakPolarHBondContact OG1-CB 3.04Å; T64-E67 WeakPolarHBondContact OG1-CG 3.46Å; T64-E67 PolarHBondContact OG1-N 3.13Å; T64-E67 PolarHBondContact OG1-OE2 3.35Å; E67-S69 VanDerWaalsContact C-N 3.32Å; E67-S69 PolarHBondContact O-N 3.09Å; E67-S70 PolarHBondContact O-N 2.79Å; E67-L71 WeakPolarHBondContact O-CG 3.44Å; E67-L71 PolarHBondContact O-N 3.37Å; E67-Y121 HydrophobicContact CB-CD2 3.94Å; E67-Y121 HydrophobicContact CB-CE2 3.47Å; E67-Y121 VanDerWaalsContact CB-CE2 3.47Å; E67-Y121 HydrophobicContact CG-CD2 3.96Å; E67-Y121 HydrophobicContact CG-CE1 4.4Å; E67-Y121 HydrophobicContact CG-CE2 3.64Å; E67-Y121 HydrophobicContact CG-CG 4.44Å
68K76.9Confident76.9Confident31 Ų3160.3 Ų60.314%0.13531%0.314CS..Hα-helixtrans-57.8-48.1175.4-56.6-164.5175.1165.30110.6M42 E46 Y63 T64 L65 L71 I72M42-K68 HydrophobicContact CE-CB 3.8Å; M42-K68 HydrophobicContact CE-CD 3.32Å; M42-K68 HydrophobicContact CE-CG 3.22Å; E46-K68 IonicContact OE2-NZ 3.64Å; E46-K68 PolarHBondContact OE2-NZ 3.23Å; Y63-K68 WeakPolarHBondContact O-CE 3.31Å; T64-K68 VanDerWaalsContact O-CG 3.31Å; T64-K68 WeakPolarHBondContact O-CG 3.31Å; T64-K68 PolarHBondContact O-N 2.97Å; L65-K68 PolarHBondContact O-N 3.12Å; K68-L71 PolarHBondContact O-N 2.8Å; K68-I72 WeakPolarHBondContact O-CG1 3.39Å; K68-I72 PolarHBondContact O-N 2.99Å; K68-I72 VanDerWaalsContact O-N 3.16Å
69S77.3Confident78.8Confident40 Ų4052.5 Ų52.528%0.2827%0.273SS..Hα-helixtrans-65.7-43.9-178-56.80000110.9L65 E66 E67 L71 I72 S73L65-S69 WeakPolarHBondContact O-CB 3.46Å; L65-S69 PolarHBondContact O-N 3.49Å; L65-S69 PolarHBondContact O-OG 3.31Å; E66-S69 PolarHBondContact O-N 2.88Å; E67-S69 VanDerWaalsContact C-N 3.32Å; E67-S69 PolarHBondContact O-N 3.09Å; S69-L71 PolarHBondContact O-N 3.23Å; S69-I72 WeakPolarHBondContact O-CB 3.33Å; S69-I72 PolarHBondContact O-N 2.98Å; S69-I72 VanDerWaalsContact O-N 3.16Å; S69-S73 PolarHBondContact O-N 2.96Å; S69-S73 PolarHBondContact O-OG 3.49Å; S69-S73 VanDerWaalsContact O-OG 3.12Å
70S85.1Confident80.6Confident45 Ų4552.5 Ų52.532%0.31527%0.272SS..Hα-helixtrans-58.9-41.3173.8172.90000112.5E66 E67 I72 S73 A74 Y121 L125E66-S70 VanDerWaalsContact O-CB 3.32Å; E66-S70 WeakPolarHBondContact O-CB 3.29Å; E66-S70 PolarHBondContact O-N 3.01Å; E67-S70 PolarHBondContact O-N 2.79Å; S70-I72 VanDerWaalsContact C-N 3.32Å; S70-I72 PolarHBondContact O-N 3.21Å; S70-S73 PolarHBondContact O-N 2.96Å; S70-A74 VanDerWaalsContact O-CB 3.23Å; S70-A74 WeakPolarHBondContact O-CB 3.48Å; S70-A74 PolarHBondContact O-N 2.86Å; S70-Y121 WeakPolarHBondContact CB-OH 3.18Å; S70-Y121 PolarHBondContact OG-OH 3.48Å; S70-L125 WeakPolarHBondContact OG-CD1 3.34Å
71L87Confident82.6Confident0 Ų050.4 Ų50.40%026%0.262CS..Hα-helixtrans-66.8-30.3176.5-72166.6000113.4F38 Y63 E67 K68 S69 Y121 A124 L125 R128F38-L71 HydrophobicContact CE1-CB 3.75Å; F38-L71 HydrophobicContact CE2-CB 4.32Å; F38-L71 HydrophobicContact CE2-CD1 4.08Å; F38-L71 HydrophobicContact CZ-CB 3.42Å; F38-L71 VanDerWaalsContact CZ-CB 3.42Å; F38-L71 HydrophobicContact CZ-CD1 3.62Å; F38-L71 HydrophobicContact CZ-CG 4.09Å; Y63-L71 HydrophobicContact CE1-CD1 4.48Å; E67-L71 WeakPolarHBondContact O-CG 3.44Å; E67-L71 PolarHBondContact O-N 3.37Å; K68-L71 PolarHBondContact O-N 2.8Å; S69-L71 PolarHBondContact O-N 3.23Å; L71-Y121 HydrophobicContact CD1-CD2 4.1Å; L71-Y121 HydrophobicContact CD1-CE2 3.91Å; L71-Y121 HydrophobicContact CD2-CD2 4.46Å; L71-Y121 HydrophobicContact CD2-CE2 4.1Å; L71-Y121 HydrophobicContact CG-CD2 4.31Å; L71-Y121 HydrophobicContact CG-CE2 3.73Å; L71-A124 HydrophobicContact CD2-CB 4.11Å; L71-L125 HydrophobicContact CD2-CB 3.93Å; L71-R128 HydrophobicContact CB-CG 4.46Å; L71-R128 HydrophobicContact CD2-CG 3.97Å; L71-R128 PolarHBondContact O-NE 3.26Å
72I82.8Confident84.2Confident40 Ų4046.9 Ų46.921%0.20525%0.248CC..Hα-helixtrans-70.3-50171.7-65.3170.2000109.4F38 K68 S69 S70 A74 M75F38-I72 HydrophobicContact CD1-CG1 4.48Å; F38-I72 HydrophobicContact CE1-CG1 4.06Å; K68-I72 WeakPolarHBondContact O-CG1 3.39Å; K68-I72 PolarHBondContact O-N 2.99Å; K68-I72 VanDerWaalsContact O-N 3.16Å; S69-I72 WeakPolarHBondContact O-CB 3.33Å; S69-I72 PolarHBondContact O-N 2.98Å; S69-I72 VanDerWaalsContact O-N 3.16Å; S70-I72 VanDerWaalsContact C-N 3.32Å; S70-I72 PolarHBondContact O-N 3.21Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 3.46Å; I72-M75 PolarHBondContact O-N 3.17Å
73S87.1Confident85.6Confident25 Ų2541.5 Ų41.518%0.17522%0.22CC..Hα-helixtrans-62.9-35.6179.3-59.50000113S69 S70 M75 A76 I77S69-S73 PolarHBondContact O-N 2.96Å; S69-S73 PolarHBondContact O-OG 3.49Å; S69-S73 VanDerWaalsContact O-OG 3.12Å; S70-S73 PolarHBondContact O-N 2.96Å; S73-M75 PolarHBondContact O-N 3.28Å; S73-A76 WeakPolarHBondContact O-CB 3.27Å; S73-A76 PolarHBondContact O-N 3.31Å; S73-I77 WeakPolarHBondContact O-CG1 3.46Å; S73-I77 PolarHBondContact O-N 3.21Å
74A92.3Very high86.4Confident5 Ų546.6 Ų46.64%0.04124%0.24CC..Hα-helixtrans-56.9-38.1178.600000112.4S70 I72 G78 L125 R128 I129S70-A74 VanDerWaalsContact O-CB 3.23Å; S70-A74 WeakPolarHBondContact O-CB 3.48Å; S70-A74 PolarHBondContact O-N 2.86Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 3.46Å; A74-G78 PolarHBondContact O-N 3.31Å; A74-L125 HydrophobicContact CB-CG 4.17Å; A74-R128 HydrophobicContact CB-CB 3.99Å; A74-I129 HydrophobicContact CB-CG1 4.01Å
75M91.6Very high87.3Confident19 Ų1946.2 Ų46.29%0.09424%0.239CC..Hα-helixtrans-69.1-40.9175.5-175.2-103.6-77.700112V35 I72 S73 G78 S79 R128 G132V35-M75 HydrophobicContact CG1-CE 3.2Å; V35-M75 HydrophobicContact CG1-CG 3.82Å; V35-M75 HydrophobicContact CG1-SD 3.46Å; V35-M75 WeakPolarHBondContact CG1-SD 3.34Å; I72-M75 PolarHBondContact O-N 3.17Å; S73-M75 PolarHBondContact O-N 3.28Å; M75-G78 PolarHBondContact O-N 2.96Å; M75-S79 WeakPolarHBondContact O-CB 3.21Å; M75-S79 PolarHBondContact O-N 2.7Å; M75-R128 WeakPolarHBondContact CA-O 2.94Å; M75-G132 VanDerWaalsContact O-CA 3.28Å; M75-G132 WeakPolarHBondContact O-CA 3.45Å
76A91Very high88.3Confident1 Ų141.3 Ų41.31%0.00821%0.213CC..Hα-helixtrans-62.4-44174.500000111.7S73 S79 L80 T392 L393S73-A76 WeakPolarHBondContact O-CB 3.27Å; S73-A76 PolarHBondContact O-N 3.31Å; A76-S79 WeakPolarHBondContact O-CB 3.25Å; A76-S79 PolarHBondContact O-N 3.04Å; A76-L80 WeakPolarHBondContact O-CG 3.32Å; A76-L80 PolarHBondContact O-N 2.84Å; A76-T392 HydrophobicContact CB-CG2 4.07Å; A76-L393 HydrophobicContact CB-CB 4.22Å
77I94Very high89Confident73 Ų7333.9 Ų33.937%0.37418%0.179SC..Hα-helixtrans-60.4-48.2175.4-66.2167.6000110.6S73 S79 L80 I81 L393S73-I77 WeakPolarHBondContact O-CG1 3.46Å; S73-I77 PolarHBondContact O-N 3.21Å; I77-S79 PolarHBondContact O-N 2.94Å; I77-L80 WeakPolarHBondContact O-CB 3.29Å; I77-L80 PolarHBondContact O-N 3.24Å; I77-L80 VanDerWaalsContact O-N 3.16Å; I77-I81 HydrophobicContact CG2-CD1 3.88Å; I77-I81 WeakPolarHBondContact O-CG1 3.17Å; I77-I81 PolarHBondContact O-N 3.44Å; I77-L393 HydrophobicContact CG1-CD1 3.72Å
78G95.3Very high89.2Confident0 Ų034 Ų340%018%0.183CC..Hα-helixtrans-56.6-40.2175.400000112.2A74 M75 I81 G82 I129 G132 I133A74-G78 PolarHBondContact O-N 3.31Å; M75-G78 PolarHBondContact O-N 2.96Å; G78-I81 PolarHBondContact O-N 3.34Å; G78-G82 PolarHBondContact O-N 2.63Å; G78-I129 WeakPolarHBondContact CA-O 3.36Å; G78-G132 VanDerWaalsContact C-C 3.45Å; G78-I133 WeakPolarHBondContact O-CA 3.36Å; G78-I133 WeakPolarHBondContact O-CG1 3.26Å; G78-I133 PolarHBondContact O-N 3.13Å
79S94.6Very high89.9Confident2 Ų235.9 Ų35.91%0.01419%0.194CC..Hα-helixtrans-66.4-40.4176.9-173.90000113.1M75 A76 I77 I81 G82 M83 G132 S136 Q385 S389M75-S79 WeakPolarHBondContact O-CB 3.21Å; M75-S79 PolarHBondContact O-N 2.7Å; A76-S79 WeakPolarHBondContact O-CB 3.25Å; A76-S79 PolarHBondContact O-N 3.04Å; I77-S79 PolarHBondContact O-N 2.94Å; S79-I81 VanDerWaalsContact C-N 3.34Å; S79-I81 PolarHBondContact O-N 3.42Å; S79-G82 PolarHBondContact O-N 2.88Å; S79-M83 WeakPolarHBondContact O-CB 3.41Å; S79-M83 PolarHBondContact O-N 3.07Å; S79-G132 WeakPolarHBondContact CA-O 3.29Å; S79-S136 VanDerWaalsContact O-CB 3.31Å; S79-S136 WeakPolarHBondContact O-CB 3.26Å; S79-Q385 PolarHBondContact OG-NE2 2.81Å; S79-S389 VanDerWaalsContact CB-OG 3.3Å; S79-S389 WeakPolarHBondContact CB-OG 3.47Å; S79-S389 PolarHBondContact OG-OG 2.97Å
80L93.6Very high90.5Very high46 Ų4634.1 Ų34.124%0.24118%0.181CC..Hα-helixtrans-59.6-45.2173.8-69.3172.5000111.5A76 I77 L386 L390 L393A76-L80 WeakPolarHBondContact O-CG 3.32Å; A76-L80 PolarHBondContact O-N 2.84Å; I77-L80 WeakPolarHBondContact O-CB 3.29Å; I77-L80 PolarHBondContact O-N 3.24Å; I77-L80 VanDerWaalsContact O-N 3.16Å; L80-L386 HydrophobicContact CD2-CD1 3.62Å; L80-L390 HydrophobicContact CD1-CD2 4.33Å; L80-L390 HydrophobicContact CD2-CD2 4.2Å; L80-L390 HydrophobicContact CD2-CG 4.13Å; L80-L393 HydrophobicContact CD1-CD1 4.22Å
81I94.3Very high90.5Very high102 Ų10234.4 Ų34.452%0.52318%0.178SC..Hα-helixtrans-67.2-44.5179.1-64.1168.1000110.6I77 G78 S79 M83 P85I77-I81 HydrophobicContact CG2-CD1 3.88Å; I77-I81 WeakPolarHBondContact O-CG1 3.17Å; I77-I81 PolarHBondContact O-N 3.44Å; G78-I81 PolarHBondContact O-N 3.34Å; S79-I81 VanDerWaalsContact C-N 3.34Å; S79-I81 PolarHBondContact O-N 3.42Å; I81-M83 PolarHBondContact O-N 2.85Å; I81-P85 WeakPolarHBondContact O-CD 3.48Å
82G93.1Very high90.5Very high1 Ų141.5 Ų41.51%0.0121%0.209CC..Hα-helixtrans-70.7-28.7-175.800000114.3G78 S79 Y84 P85 Q86 S136G78-G82 PolarHBondContact O-N 2.63Å; S79-G82 PolarHBondContact O-N 2.88Å; G82-Y84 PolarHBondContact O-N 3.49Å; G82-P85 VanDerWaalsContact O-CD 3.3Å; G82-P85 WeakPolarHBondContact O-CD 3.42Å; G82-Q86 WeakPolarHBondContact O-CB 3.16Å; G82-Q86 WeakPolarHBondContact O-CG 3.31Å; G82-Q86 PolarHBondContact O-N 2.77Å; G82-S136 WeakPolarHBondContact CA-OG 3.37Å; G82-S136 PolarHBondContact O-OG 3.39Å
83M91.4Very high90.8Very high9 Ų944.9 Ų44.94%0.04422%0.22CC..Hα-helixtrans-57.5-48.5-171.3-176.8-161.267.400112.9S79 I81 N87 S136 Y383 Q385 L386S79-M83 WeakPolarHBondContact O-CB 3.41Å; S79-M83 PolarHBondContact O-N 3.07Å; I81-M83 PolarHBondContact O-N 2.85Å; M83-N87 WeakPolarHBondContact O-CB 3.42Å; M83-N87 PolarHBondContact O-N 3.38Å; M83-N87 PolarHBondContact O-ND2 3.38Å; M83-S136 PolarHBondContact N-OG 2.94Å; M83-Y383 HydrophobicContact CE-CD1 4.31Å; M83-Y383 HydrophobicContact CE-CE1 4.08Å; M83-Q385 HydrophobicContact CG-CB 4.43Å; M83-Q385 HydrophobicContact SD-CB 4.41Å; M83-L386 HydrophobicContact CE-CB 3.93Å; M83-L386 HydrophobicContact CE-CD1 3.82Å; M83-L386 HydrophobicContact CE-CD2 4.43Å; M83-L386 HydrophobicContact CE-CG 4.27Å; M83-L386 HydrophobicContact SD-CB 3.5Å; M83-L386 VanDerWaalsContact SD-CB 3.5Å; M83-L386 HydrophobicContact SD-CD1 4.25Å; M83-L386 HydrophobicContact SD-CG 4.42Å; M83-L386 PolarHBondContact SD-N 2.85Å; M83-L386 VanDerWaalsContact SD-N 3.44Å
84Y88.6Confident91Very high132 Ų13244.2 Ų44.252%0.51822%0.217SC..Hα-helixtrans-66.1-52.4-177.7177.4-90.6000112.2G82 Q86 N87 V88G82-Y84 PolarHBondContact O-N 3.49Å; Y84-Q86 VanDerWaalsContact C-N 3.34Å; Y84-Q86 PolarHBondContact O-N 2.92Å; Y84-N87 PolarHBondContact O-N 3.13Å; Y84-V88 HydrophobicContact CD1-CG2 4.36Å; Y84-V88 HydrophobicContact CE1-CG2 3.94Å; Y84-V88 HydrophobicContact CE2-CG2 4.38Å; Y84-V88 WeakPolarHBondContact O-CG2 3.4Å; Y84-V88 PolarHBondContact O-N 3.31Å
85P92.3Very high91Very high63 Ų6344.1 Ų44.141%0.40922%0.216SC..Hα-helixtrans-53.5-46.3172.9-26.533.3000113.5I81 G82 N87 V88 L89I81-P85 WeakPolarHBondContact O-CD 3.48Å; G82-P85 VanDerWaalsContact O-CD 3.3Å; G82-P85 WeakPolarHBondContact O-CD 3.42Å; P85-N87 PolarHBondContact O-N 3.41Å; P85-V88 PolarHBondContact O-N 2.95Å; P85-L89 WeakPolarHBondContact O-CB 3.47Å; P85-L89 VanDerWaalsContact O-CG 3.3Å; P85-L89 WeakPolarHBondContact O-CG 3.27Å; P85-L89 PolarHBondContact O-N 3.4Å
86Q91.4Very high91.1Very high16 Ų1645.7 Ų45.78%0.07522%0.221CC..Hα-helixtrans-61.9-42.8179.3-71.1-68.4-1.200111.6G82 Y84 V88 L89 M90 S136 A137G82-Q86 WeakPolarHBondContact O-CB 3.16Å; G82-Q86 WeakPolarHBondContact O-CG 3.31Å; G82-Q86 PolarHBondContact O-N 2.77Å; Y84-Q86 VanDerWaalsContact C-N 3.34Å; Y84-Q86 PolarHBondContact O-N 2.92Å; Q86-V88 VanDerWaalsContact C-N 3.33Å; Q86-V88 PolarHBondContact O-N 3.22Å; Q86-L89 PolarHBondContact O-N 3.29Å; Q86-M90 WeakPolarHBondContact O-CB 3.24Å; Q86-M90 WeakPolarHBondContact O-CG 3.31Å; Q86-M90 PolarHBondContact O-N 3.29Å; Q86-S136 VanDerWaalsContact CG-OG 3.3Å; Q86-S136 WeakPolarHBondContact CG-OG 3.4Å; Q86-A137 HydrophobicContact CB-CB 4.18Å; Q86-A137 HydrophobicContact CG-CB 4.37Å
87N87Confident91.3Very high6 Ų649 Ų493%0.03224%0.238CC..Hα-helixtrans-63.1-36.9176.3-83.1-36.9000113M83 Y84 P85 M90 Q91M83-N87 WeakPolarHBondContact O-CB 3.42Å; M83-N87 PolarHBondContact O-N 3.38Å; M83-N87 PolarHBondContact O-ND2 3.38Å; Y84-N87 PolarHBondContact O-N 3.13Å; P85-N87 PolarHBondContact O-N 3.41Å; N87-M90 HydrophobicContact CB-CE 4.5Å; N87-M90 WeakPolarHBondContact OD1-CE 3.39Å; N87-Q91 WeakPolarHBondContact O-CG 3.34Å; N87-Q91 PolarHBondContact O-N 3.45Å; N87-Q91 PolarHBondContact O-NE2 3.17Å; N87-Q91 VanDerWaalsContact O-NE2 3.09Å
88V87.7Confident91.3Very high57 Ų5746 Ų4635%0.34522%0.223SC..Hα-helixtrans-68.8-43.8174.6173.80000110.7Y84 P85 Q86 M90 Q91 K92Y84-V88 HydrophobicContact CD1-CG2 4.36Å; Y84-V88 HydrophobicContact CE1-CG2 3.94Å; Y84-V88 HydrophobicContact CE2-CG2 4.38Å; Y84-V88 WeakPolarHBondContact O-CG2 3.4Å; Y84-V88 PolarHBondContact O-N 3.31Å; P85-V88 PolarHBondContact O-N 2.95Å; Q86-V88 VanDerWaalsContact C-N 3.33Å; Q86-V88 PolarHBondContact O-N 3.22Å; V88-M90 PolarHBondContact O-N 3.48Å; V88-Q91 PolarHBondContact O-N 2.91Å; V88-K92 PolarHBondContact O-N 3.42Å; V88-K92 VanDerWaalsContact O-N 3.13Å
89L91.6Very high91.4Very high72 Ų7246.1 Ų46.138%0.37722%0.224SC..Hα-helixtrans-62.2-42.7176.8-70.9172.4000111.5P85 Q86 Q91 K92 Y93 V98P85-L89 WeakPolarHBondContact O-CB 3.47Å; P85-L89 VanDerWaalsContact O-CG 3.3Å; P85-L89 WeakPolarHBondContact O-CG 3.27Å; P85-L89 PolarHBondContact O-N 3.4Å; Q86-L89 PolarHBondContact O-N 3.29Å; L89-Q91 VanDerWaalsContact C-N 3.29Å; L89-Q91 PolarHBondContact O-N 3.24Å; L89-K92 PolarHBondContact O-N 2.84Å; L89-K92 VanDerWaalsContact O-N 3.15Å; L89-Y93 HydrophobicContact CB-CD2 4.5Å; L89-Y93 HydrophobicContact CD2-CD2 3.84Å; L89-Y93 HydrophobicContact CD2-CE2 3.7Å; L89-Y93 PolarHBondContact O-N 3.14Å; L89-V98 HydrophobicContact CB-CG1 4.2Å; L89-V98 HydrophobicContact CB-CG2 3.84Å
90M89.5Confident91.5Very high2 Ų246.6 Ų46.61%0.0123%0.226CC..Hα-helixtrans-63.5-35177.4-75.6-171.4-68.800112.3Q86 N87 V88 G94 V98 A137 V141 Y144Q86-M90 WeakPolarHBondContact O-CB 3.24Å; Q86-M90 WeakPolarHBondContact O-CG 3.31Å; Q86-M90 PolarHBondContact O-N 3.29Å; N87-M90 HydrophobicContact CB-CE 4.5Å; N87-M90 WeakPolarHBondContact OD1-CE 3.39Å; V88-M90 PolarHBondContact O-N 3.48Å; M90-G94 WeakPolarHBondContact O-CA 3.3Å; M90-G94 PolarHBondContact O-N 3.35Å; M90-V98 HydrophobicContact CG-CB 3.96Å; M90-V98 HydrophobicContact CG-CG1 3.77Å; M90-V98 HydrophobicContact CG-CG2 4.29Å; M90-A137 HydrophobicContact CE-CB 4.26Å; M90-A137 HydrophobicContact SD-CB 4.17Å; M90-V141 HydrophobicContact SD-CG2 4.02Å; M90-Y144 HydrophobicContact CB-CD2 4.37Å; M90-Y144 HydrophobicContact CB-CE2 3.73Å; M90-Y144 HydrophobicContact SD-CD2 4.28Å; M90-Y144 HydrophobicContact SD-CE2 4.44Å
91Q84.9Confident91.6Very high51 Ų5151.3 Ų51.324%0.23825%0.245CC..Hα-helixtrans-65.6-39173.7-75.2171.270.100112.3N87 V88 L89 Y144 T238 Y240 Y378N87-Q91 WeakPolarHBondContact O-CG 3.34Å; N87-Q91 PolarHBondContact O-N 3.45Å; N87-Q91 PolarHBondContact O-NE2 3.17Å; N87-Q91 VanDerWaalsContact O-NE2 3.09Å; V88-Q91 PolarHBondContact O-N 2.91Å; L89-Q91 VanDerWaalsContact C-N 3.29Å; L89-Q91 PolarHBondContact O-N 3.24Å; Q91-Y144 VanDerWaalsContact CA-OH 3.3Å; Q91-Y144 WeakPolarHBondContact CA-OH 3.39Å; Q91-Y144 VanDerWaalsContact CG-OH 3.27Å; Q91-Y144 WeakPolarHBondContact CG-OH 3.44Å; Q91-Y144 PolarHBondContact N-OH 2.94Å; Q91-T238 PolarHBondContact OE1-OG1 3.39Å; Q91-Y240 PolarHBondContact NE2-OH 2.84Å; Q91-Y378 HydrophobicContact CG-CD2 4.39Å; Q91-Y378 HydrophobicContact CG-CE2 3.81Å
92K86.9Confident91.7Very high150 Ų15046.7 Ų46.765%0.65222%0.223SC*.Hα-helixtrans-82.9-44.2-175.9-171.2175.2179-168.80113.4V88 L89V88-K92 PolarHBondContact O-N 3.42Å; V88-K92 VanDerWaalsContact O-N 3.13Å; L89-K92 PolarHBondContact O-N 2.84Å; L89-K92 VanDerWaalsContact O-N 3.15Å
93Y89.7Confident91.8Very high111 Ų11146.7 Ų46.744%0.43522%0.222SC..Hα-helixtrans-110-6.5-170.3-60.8-69.5000113.9L89L89-Y93 HydrophobicContact CB-CD2 4.5Å; L89-Y93 HydrophobicContact CD2-CD2 3.84Å; L89-Y93 HydrophobicContact CD2-CE2 3.7Å; L89-Y93 PolarHBondContact O-N 3.14Å
94G89.9Confident92.1Very high11 Ų1148.8 Ų48.811%0.11323%0.233CC..Hα-helixtrans80.6157.6-176.200000113M90 R96 V98M90-G94 WeakPolarHBondContact O-CA 3.3Å; M90-G94 PolarHBondContact O-N 3.35Å; G94-R96 VanDerWaalsContact C-N 3.26Å; G94-R96 PolarHBondContact O-N 3.06Å; G94-V98 VanDerWaalsContact O-CG2 3.31Å; G94-V98 WeakPolarHBondContact O-CG2 3.35Å; G94-V98 PolarHBondContact O-N 3.01Å
95P91.9Very high92.5Very high3 Ų346.6 Ų46.62%0.01923%0.23CC..Hα-helixtrans-61.2-34.4178.722.3-31.3000112.1L97 V98 L99 V141 Y144 W204 Y208 D210P95-L97 PolarHBondContact O-N 3.37Å; P95-V98 PolarHBondContact O-N 3Å; P95-L99 VanDerWaalsContact O-CB 3.28Å; P95-L99 WeakPolarHBondContact O-CB 3.39Å; P95-L99 PolarHBondContact O-N 2.75Å; P95-V141 HydrophobicContact CB-CG2 4.24Å; P95-Y144 HydrophobicContact CG-CD1 4.23Å; P95-Y144 HydrophobicContact CG-CG 4.04Å; P95-W204 WeakPolarHBondContact O-CH2 3.44Å; P95-Y208 HydrophobicContact CB-CE1 4.5Å; P95-Y208 HydrophobicContact CG-CE1 4.04Å; P95-D210 WeakPolarHBondContact CD-OD1 3.46Å; P95-D210 VanDerWaalsContact CG-OD1 3.24Å; P95-D210 WeakPolarHBondContact CG-OD1 3.16Å
96R94.6Very high92.7Very high51 Ų5143.6 Ų43.619%0.19221%0.211CC..Hα-helixtrans-54.7-50.6-178.3-174.1178.3179-152.1-7.6113.7G94 T100 W204 F205 Y208 D210G94-R96 VanDerWaalsContact C-N 3.26Å; G94-R96 PolarHBondContact O-N 3.06Å; R96-T100 WeakPolarHBondContact O-CB 3.34Å; R96-T100 PolarHBondContact O-N 3.17Å; R96-T100 PolarHBondContact O-OG1 2.95Å; R96-W204 HydrophobicContact CB-CH2 4.42Å; R96-W204 HydrophobicContact CG-CZ3 4.45Å; R96-W204 VanDerWaalsContact O-CZ3 3.24Å; R96-W204 WeakPolarHBondContact O-CZ3 3.41Å; R96-F205 HydrophobicContact CG-CD2 4.2Å; R96-F205 VanDerWaalsContact CZ-O 3.24Å; R96-F205 PolarHBondContact NE-O 3.31Å; R96-F205 PolarHBondContact NH2-O 3.07Å; R96-Y208 HydrophobicContact CB-CD1 3.86Å; R96-Y208 HydrophobicContact CB-CE1 4.09Å; R96-Y208 VanDerWaalsContact CD-O 3.24Å; R96-Y208 WeakPolarHBondContact CD-O 3.13Å; R96-Y208 HydrophobicContact CG-CD1 4.17Å; R96-Y208 PolarHBondContact NE-O 2.93Å; R96-Y208 VanDerWaalsContact NE-O 3.12Å; R96-D210 WeakPolarHBondContact CB-OD1 3.37Å; R96-D210 PolarHBondContact N-OD1 2.82Å
97L94.7Very high92.9Very high70 Ų7043.1 Ų43.137%0.36621%0.21SC..Hα-helixtrans-74.9-45.2-178.1-70.9174.3000110.9P95 T100 F101 F205P95-L97 PolarHBondContact O-N 3.37Å; L97-T100 PolarHBondContact O-N 2.81Å; L97-F101 HydrophobicContact CD2-CE2 4.42Å; L97-F101 WeakPolarHBondContact O-CD2 3.44Å; L97-F101 PolarHBondContact O-N 2.9Å; L97-F205 HydrophobicContact CD2-CE2 4.03Å
98V95.3Very high93.4Very high12 Ų1246.4 Ų46.47%0.07323%0.23CC..Hα-helixtrans-64-48.9-172.8177.70000111.6L89 M90 G94 P95 T100 F101 A102L89-V98 HydrophobicContact CB-CG1 4.2Å; L89-V98 HydrophobicContact CB-CG2 3.84Å; M90-V98 HydrophobicContact CG-CB 3.96Å; M90-V98 HydrophobicContact CG-CG1 3.77Å; M90-V98 HydrophobicContact CG-CG2 4.29Å; G94-V98 VanDerWaalsContact O-CG2 3.31Å; G94-V98 WeakPolarHBondContact O-CG2 3.35Å; G94-V98 PolarHBondContact O-N 3.01Å; P95-V98 PolarHBondContact O-N 3Å; V98-T100 VanDerWaalsContact C-N 3.32Å; V98-T100 PolarHBondContact O-N 3.37Å; V98-F101 PolarHBondContact O-N 3.19Å; V98-A102 VanDerWaalsContact O-CB 3.3Å; V98-A102 WeakPolarHBondContact O-CB 3.47Å; V98-A102 PolarHBondContact O-N 3.25Å
99L95.6Very high93.9Very high1 Ų144.5 Ų44.51%0.00522%0.218CC..Hα-helixtrans-65.6-37178.9-175.864.9000111.4Q27 L28 P95 S103 V141 W204Q27-L99 HydrophobicContact CG-CD2 3.67Å; Q27-L99 HydrophobicContact CG-CG 4.28Å; L28-L99 HydrophobicContact CD2-CD1 4.27Å; L28-L99 HydrophobicContact CD2-CD2 4.17Å; P95-L99 VanDerWaalsContact O-CB 3.28Å; P95-L99 WeakPolarHBondContact O-CB 3.39Å; P95-L99 PolarHBondContact O-N 2.75Å; L99-S103 WeakPolarHBondContact O-CB 3.48Å; L99-S103 PolarHBondContact O-N 3.41Å; L99-S103 PolarHBondContact O-OG 3.42Å; L99-V141 HydrophobicContact CB-CG2 4.24Å; L99-V141 HydrophobicContact CD1-CG2 4.26Å; L99-V141 HydrophobicContact CD2-CG1 4.07Å; L99-V141 HydrophobicContact CD2-CG2 4.04Å; L99-V141 HydrophobicContact CG-CG2 4.41Å; L99-W204 HydrophobicContact CB-CH2 3.65Å; L99-W204 HydrophobicContact CB-CZ3 3.75Å; L99-W204 HydrophobicContact CD2-CD2 4.28Å; L99-W204 HydrophobicContact CD2-CE3 4.27Å; L99-W204 HydrophobicContact CD2-CH2 3.55Å; L99-W204 HydrophobicContact CD2-CZ2 3.62Å; L99-W204 HydrophobicContact CD2-CZ3 3.9Å; L99-W204 HydrophobicContact CG-CH2 4.12Å; L99-W204 HydrophobicContact CG-CZ3 4.15Å
100T96.6Very high94.1Very high12 Ų1241 Ų417%0.07420%0.2CC..Hα-helixtrans-61.8-51.4177-69.20000111.6R96 L97 V98 A102 S103 L104 T201 F205R96-T100 WeakPolarHBondContact O-CB 3.34Å; R96-T100 PolarHBondContact O-N 3.17Å; R96-T100 PolarHBondContact O-OG1 2.95Å; L97-T100 PolarHBondContact O-N 2.81Å; V98-T100 VanDerWaalsContact C-N 3.32Å; V98-T100 PolarHBondContact O-N 3.37Å; T100-A102 PolarHBondContact O-N 2.98Å; T100-S103 PolarHBondContact O-N 3.03Å; T100-L104 HydrophobicContact CG2-CD1 3.99Å; T100-L104 HydrophobicContact CG2-CG 4.43Å; T100-L104 WeakPolarHBondContact O-CB 3.12Å; T100-L104 VanDerWaalsContact O-CG 3.26Å; T100-L104 WeakPolarHBondContact O-CG 3.42Å; T100-L104 PolarHBondContact O-N 3.21Å; T100-T201 HydrophobicContact CG2-CG2 3.95Å; T100-F205 HydrophobicContact CG2-CB 4.19Å; T100-F205 HydrophobicContact CG2-CD2 3.91Å; T100-F205 HydrophobicContact CG2-CG 4.21Å; T100-F205 WeakPolarHBondContact OG1-CD2 3.21Å
101F96.1Very high94.4Very high145 Ų14542.1 Ų42.164%0.63621%0.209SC*.Hα-helixtrans-63.5-43.8178.8-77.7-69.1000112.2L97 V98 S103 L104 L105L97-F101 HydrophobicContact CD2-CE2 4.42Å; L97-F101 WeakPolarHBondContact O-CD2 3.44Å; L97-F101 PolarHBondContact O-N 2.9Å; V98-F101 PolarHBondContact O-N 3.19Å; F101-S103 VanDerWaalsContact C-N 3.34Å; F101-S103 PolarHBondContact O-N 2.93Å; F101-L104 PolarHBondContact O-N 3.05Å; F101-L105 WeakPolarHBondContact O-CB 3.33Å; F101-L105 PolarHBondContact O-N 2.67Å; F101-L105 VanDerWaalsContact O-N 3.09Å
102A95.9Very high94.9Very high6 Ų645.2 Ų45.25%0.0522%0.222CC..Hα-helixtrans-61.2-43.6178.200000111.8V98 T100 C106 L134V98-A102 VanDerWaalsContact O-CB 3.3Å; V98-A102 WeakPolarHBondContact O-CB 3.47Å; V98-A102 PolarHBondContact O-N 3.25Å; T100-A102 PolarHBondContact O-N 2.98Å; A102-C106 VanDerWaalsContact O-CB 3.25Å; A102-C106 WeakPolarHBondContact O-CB 3.28Å; A102-C106 PolarHBondContact O-N 3.39Å; A102-L134 HydrophobicContact CB-CD2 4.26Å
103S96.6Very high95.3Very high1 Ų138 Ų381%0.00719%0.191CC..Hα-helixtrans-70.5-40-178.7-58.60000112.8Q27 V31 L99 T100 F101 C106 A107 L197 T201Q27-S103 PolarHBondContact NE2-OG 2.93Å; V31-S103 WeakPolarHBondContact CG2-OG 3.39Å; L99-S103 WeakPolarHBondContact O-CB 3.48Å; L99-S103 PolarHBondContact O-N 3.41Å; L99-S103 PolarHBondContact O-OG 3.42Å; T100-S103 PolarHBondContact O-N 3.03Å; F101-S103 VanDerWaalsContact C-N 3.34Å; F101-S103 PolarHBondContact O-N 2.93Å; S103-C106 PolarHBondContact O-N 3.38Å; S103-A107 PolarHBondContact O-N 3.49Å; S103-L197 WeakPolarHBondContact O-CD2 3.31Å; S103-T201 VanDerWaalsContact CB-OG1 3.27Å; S103-T201 WeakPolarHBondContact CB-OG1 3.18Å
104L96.8Very high95.4Very high52 Ų5232.8 Ų32.827%0.27217%0.171SC..Hα-helixtrans-62.6-45.5175.5-72176.9000111.2T100 F101 C106 A107 V108 F198 T201T100-L104 HydrophobicContact CG2-CD1 3.99Å; T100-L104 HydrophobicContact CG2-CG 4.43Å; T100-L104 WeakPolarHBondContact O-CB 3.12Å; T100-L104 VanDerWaalsContact O-CG 3.26Å; T100-L104 WeakPolarHBondContact O-CG 3.42Å; T100-L104 PolarHBondContact O-N 3.21Å; F101-L104 PolarHBondContact O-N 3.05Å; L104-C106 VanDerWaalsContact C-N 3.32Å; L104-C106 PolarHBondContact O-N 3.48Å; L104-A107 PolarHBondContact O-N 3.22Å; L104-V108 WeakPolarHBondContact O-CG2 3.27Å; L104-V108 PolarHBondContact O-N 2.82Å; L104-F198 HydrophobicContact CD2-CD2 3.5Å; L104-F198 VanDerWaalsContact CD2-CD2 3.5Å; L104-F198 HydrophobicContact CD2-CE2 3.6Å; L104-F198 HydrophobicContact CD2-CG 4.49Å; L104-T201 HydrophobicContact CD2-CG2 4Å; L104-T201 HydrophobicContact CG-CG2 3.92Å
105L96.6Very high95.5Very high87 Ų8738.7 Ų38.746%0.45519%0.19SC..Hα-helixtrans-66.1-37.2176.5-174.858.2000111.3F101 A107 V108 V109 L134F101-L105 WeakPolarHBondContact O-CB 3.33Å; F101-L105 PolarHBondContact O-N 2.67Å; F101-L105 VanDerWaalsContact O-N 3.09Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 2.99Å; L105-V108 PolarHBondContact O-N 3.09Å; L105-V109 WeakPolarHBondContact O-CG2 3.37Å; L105-V109 PolarHBondContact O-N 2.84Å; L105-L134 HydrophobicContact CB-CD1 4.08Å; L105-L134 HydrophobicContact CB-CD2 4.09Å; L105-L134 HydrophobicContact CD2-CD1 4.12Å; L105-L134 HydrophobicContact CD2-CD2 3.74Å; L105-L134 HydrophobicContact CG-CD1 3.77Å; L105-L134 HydrophobicContact CG-CD2 4.12Å
106C96.9Very high95.4Very high0 Ų038.6 Ų38.60%019%0.189CC..Hα-helixtrans-63.2-39.9176.3-173.20000111.7A102 S103 L104 V108 V109 T110 L134 L197A102-C106 VanDerWaalsContact O-CB 3.25Å; A102-C106 WeakPolarHBondContact O-CB 3.28Å; A102-C106 PolarHBondContact O-N 3.39Å; S103-C106 PolarHBondContact O-N 3.38Å; L104-C106 VanDerWaalsContact C-N 3.32Å; L104-C106 PolarHBondContact O-N 3.48Å; C106-V108 VanDerWaalsContact C-N 3.33Å; C106-V108 PolarHBondContact O-N 3.03Å; C106-V109 PolarHBondContact O-N 3.34Å; C106-T110 VanDerWaalsContact O-CB 3.28Å; C106-T110 WeakPolarHBondContact O-CB 3.06Å; C106-T110 PolarHBondContact O-N 3.19Å; C106-T110 PolarHBondContact O-OG1 2.96Å; C106-L134 HydrophobicContact CB-CB 4.06Å; C106-L134 HydrophobicContact CB-CD1 4.09Å; C106-L197 HydrophobicContact CB-CD2 4.14Å
107A97.1Very high95.1Very high6 Ų636.3 Ų36.35%0.0518%0.18CC..Hα-helixtrans-61.1-42174.200000111.7S103 L104 L105 T110 A111 S194 L197S103-A107 PolarHBondContact O-N 3.49Å; L104-A107 PolarHBondContact O-N 3.22Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 2.99Å; A107-T110 PolarHBondContact O-N 2.92Å; A107-A111 WeakPolarHBondContact O-CB 3.48Å; A107-A111 PolarHBondContact O-N 3.22Å; A107-S194 WeakPolarHBondContact O-CB 3.17Å; A107-S194 PolarHBondContact O-OG 3.28Å; A107-L197 HydrophobicContact CB-CB 4.33Å; A107-L197 HydrophobicContact CB-CD2 3.92Å; A107-L197 HydrophobicContact CB-CG 4.08Å
108V97.3Very high94.6Very high75 Ų7535.7 Ų35.746%0.45518%0.178SC..Hα-helixtrans-64-52.1176176.20000110.7L104 L105 C106 T110 A111 F112L104-V108 WeakPolarHBondContact O-CG2 3.27Å; L104-V108 PolarHBondContact O-N 2.82Å; L105-V108 PolarHBondContact O-N 3.09Å; C106-V108 VanDerWaalsContact C-N 3.33Å; C106-V108 PolarHBondContact O-N 3.03Å; V108-T110 PolarHBondContact O-N 3.42Å; V108-A111 PolarHBondContact O-N 3.04Å; V108-A111 VanDerWaalsContact O-N 3.14Å; V108-F112 HydrophobicContact CG1-CD2 3.85Å; V108-F112 HydrophobicContact CG1-CE2 3.91Å; V108-F112 WeakPolarHBondContact O-CD2 3.39Å; V108-F112 PolarHBondContact O-N 3.22Å; V108-F112 VanDerWaalsContact O-N 3.09Å
109V96.9Very high94.2Very high16 Ų1638.8 Ų38.810%0.09720%0.197CC..Hα-helixtrans-57.8-40.3179.7175.10000111.2L105 C106 F112 M113 F127 F130 Q131 L134L105-V109 WeakPolarHBondContact O-CG2 3.37Å; L105-V109 PolarHBondContact O-N 2.84Å; C106-V109 PolarHBondContact O-N 3.34Å; V109-F112 PolarHBondContact O-N 2.83Å; V109-M113 PolarHBondContact O-N 2.88Å; V109-M113 VanDerWaalsContact O-N 3.1Å; V109-F127 HydrophobicContact CG1-CB 4.08Å; V109-F127 HydrophobicContact CG1-CD2 3.98Å; V109-F127 HydrophobicContact CG1-CG 4.17Å; V109-F130 HydrophobicContact CG2-CB 4.48Å; V109-Q131 HydrophobicContact CG1-CG 3.69Å; V109-L134 HydrophobicContact CG2-CD1 4.29Å
110T95.8Very high93.7Very high0 Ų042.2 Ų42.20%022%0.215CC..Hα-helixtrans-67.7-41178.4-55.30000111.7C34 V37 C106 A107 V108 F112 M113 Q131 Y190 S194C34-T110 HydrophobicContact CB-CG2 3.9Å; C34-T110 WeakPolarHBondContact O-CG2 3.24Å; V37-T110 HydrophobicContact CG1-CG2 4.17Å; C106-T110 VanDerWaalsContact O-CB 3.28Å; C106-T110 WeakPolarHBondContact O-CB 3.06Å; C106-T110 PolarHBondContact O-N 3.19Å; C106-T110 PolarHBondContact O-OG1 2.96Å; A107-T110 PolarHBondContact O-N 2.92Å; V108-T110 PolarHBondContact O-N 3.42Å; T110-F112 VanDerWaalsContact C-N 3.3Å; T110-F112 PolarHBondContact O-N 3.27Å; T110-M113 VanDerWaalsContact O-CB 3.3Å; T110-M113 WeakPolarHBondContact O-CB 3.3Å; T110-M113 PolarHBondContact O-N 3.15Å; T110-Q131 PolarHBondContact OG1-NE2 3.41Å; T110-Y190 HydrophobicContact CG2-CD1 3.9Å; T110-Y190 WeakPolarHBondContact O-CD1 3.3Å; T110-S194 WeakPolarHBondContact CB-OG 3.32Å
111A96.4Very high93.3Very high25 Ų2543.4 Ų43.421%0.20722%0.218CC..Hα-helixtrans-63.5-34.9176.900000112.6A107 V108 P114 Y191 S194A107-A111 WeakPolarHBondContact O-CB 3.48Å; A107-A111 PolarHBondContact O-N 3.22Å; V108-A111 PolarHBondContact O-N 3.04Å; V108-A111 VanDerWaalsContact O-N 3.14Å; A111-P114 WeakPolarHBondContact O-CD 3.09Å; A111-Y191 HydrophobicContact CB-CD1 4.31Å; A111-Y191 WeakPolarHBondContact O-CE1 3.37Å; A111-S194 PolarHBondContact N-OG 3.45Å; A111-S194 VanDerWaalsContact N-OG 3.14Å
112F96Very high93Very high115 Ų11542.4 Ų42.450%0.50422%0.215SC..Hα-helixtrans-85.7-5.6176.8-77.3-84.8000113.9V108 V109 T110 W115 A116 F127V108-F112 HydrophobicContact CG1-CD2 3.85Å; V108-F112 HydrophobicContact CG1-CE2 3.91Å; V108-F112 WeakPolarHBondContact O-CD2 3.39Å; V108-F112 PolarHBondContact O-N 3.22Å; V108-F112 VanDerWaalsContact O-N 3.09Å; V109-F112 PolarHBondContact O-N 2.83Å; T110-F112 VanDerWaalsContact C-N 3.3Å; T110-F112 PolarHBondContact O-N 3.27Å; F112-W115 WeakPolarHBondContact O-CB 3.35Å; F112-W115 PolarHBondContact O-N 3.37Å; F112-A116 PolarHBondContact O-N 3.27Å; F112-F127 HydrophobicContact CB-CE2 3.63Å; F112-F127 HydrophobicContact CB-CZ 4.4Å
113M93.9Very high92.9Very high0 Ų044.2 Ų44.20%023%0.225CC..Hα-helixtrans-59-41.7-178.7-173.566.381.600113.7V109 T110 W115 A116 L117 F127 R128 Q131 Y190V109-M113 PolarHBondContact O-N 2.88Å; V109-M113 VanDerWaalsContact O-N 3.1Å; T110-M113 VanDerWaalsContact O-CB 3.3Å; T110-M113 WeakPolarHBondContact O-CB 3.3Å; T110-M113 PolarHBondContact O-N 3.15Å; M113-W115 VanDerWaalsContact C-N 3.28Å; M113-W115 PolarHBondContact O-N 3.13Å; M113-A116 WeakPolarHBondContact O-CB 3.18Å; M113-A116 PolarHBondContact O-N 3.2Å; M113-A116 VanDerWaalsContact O-N 3.11Å; M113-A116 HydrophobicContact SD-CB 4.48Å; M113-L117 HydrophobicContact CG-CD1 4.04Å; M113-L117 HydrophobicContact CG-CG 4.29Å; M113-L117 WeakPolarHBondContact O-CG 3.32Å; M113-L117 PolarHBondContact O-N 3.49Å; M113-L117 HydrophobicContact SD-CG 4.4Å; M113-F127 HydrophobicContact CE-CB 3.79Å; M113-F127 HydrophobicContact SD-CB 4.01Å; M113-R128 HydrophobicContact CE-CG 4.09Å; M113-Q131 VanDerWaalsContact CE-CD 3.48Å; M113-Q131 HydrophobicContact CE-CG 4.26Å; M113-Y190 HydrophobicContact CB-CD1 3.75Å; M113-Y190 HydrophobicContact CB-CE1 3.65Å; M113-Y190 HydrophobicContact CG-CD1 4.18Å; M113-Y190 HydrophobicContact CG-CE1 3.53Å
114P91.9Very high92.6Very high1 Ų144.1 Ų44.11%0.00623%0.225CC..Hα-helixtrans-57.5-41.3175.8-25.335.2000112.9A111 L117 D118 W186 R187 Y190A111-P114 WeakPolarHBondContact O-CD 3.09Å; P114-L117 PolarHBondContact O-N 2.81Å; P114-D118 PolarHBondContact O-N 3.12Å; P114-D118 VanDerWaalsContact O-N 3.12Å; P114-W186 HydrophobicContact CB-CH2 4.02Å; P114-W186 HydrophobicContact CB-CZ3 3.99Å; P114-W186 HydrophobicContact CG-CZ3 4.21Å; P114-R187 HydrophobicContact CB-CB 4.46Å; P114-R187 HydrophobicContact CB-CG 4.42Å; P114-Y190 HydrophobicContact CG-CD1 4.25Å; P114-Y190 HydrophobicContact CG-CD2 3.75Å; P114-Y190 HydrophobicContact CG-CE2 4.47Å; P114-Y190 HydrophobicContact CG-CG 3.62Å
115W92.4Very high92.5Very high135 Ų13543.5 Ų43.551%0.51122%0.222SC..Hα-helixtrans-65.9-39.4176169.580.5000112.1F112 M113 L117 D118 T119 V123 F127F112-W115 WeakPolarHBondContact O-CB 3.35Å; F112-W115 PolarHBondContact O-N 3.37Å; M113-W115 VanDerWaalsContact C-N 3.28Å; M113-W115 PolarHBondContact O-N 3.13Å; W115-L117 VanDerWaalsContact C-N 3.35Å; W115-D118 PolarHBondContact O-N 3.4Å; W115-T119 PolarHBondContact NE1-OG1 2.93Å; W115-T119 WeakPolarHBondContact O-CB 3.46Å; W115-T119 PolarHBondContact O-N 2.76Å; W115-T119 PolarHBondContact O-OG1 3.28Å; W115-V123 HydrophobicContact CZ3-CG1 4.06Å; W115-F127 HydrophobicContact CZ3-CZ 4.16Å
116A91.1Very high92.4Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-62.7-42.1176.300000111.8F112 M113 D118 T119 N120 V123 A124 F127F112-A116 PolarHBondContact O-N 3.27Å; M113-A116 WeakPolarHBondContact O-CB 3.18Å; M113-A116 PolarHBondContact O-N 3.2Å; M113-A116 VanDerWaalsContact O-N 3.11Å; M113-A116 HydrophobicContact SD-CB 4.48Å; A116-D118 VanDerWaalsContact C-N 3.3Å; A116-D118 PolarHBondContact O-N 3.48Å; A116-T119 PolarHBondContact O-N 3Å; A116-N120 PolarHBondContact O-N 3.22Å; A116-V123 HydrophobicContact CB-CG1 3.89Å; A116-A124 HydrophobicContact CB-CB 4.45Å; A116-F127 HydrophobicContact CB-CD2 3.77Å; A116-F127 HydrophobicContact CB-CE2 3.95Å; A116-F127 HydrophobicContact CB-CG 4.11Å; A116-F127 HydrophobicContact CB-CZ 4.46Å
117L87.8Confident92.4Very high4 Ų444.6 Ų44.62%0.02123%0.228CC..Hα-helixtrans-66-30.3177.2-69.6169.1000113.1F38 M45 Y63 M113 P114 W115 A124 W186F38-L117 HydrophobicContact CE2-CD2 3.93Å; M45-L117 HydrophobicContact CE-CD1 4.38Å; Y63-L117 HydrophobicContact CE2-CD2 4.2Å; Y63-L117 PolarHBondContact OH-O 2.87Å; M113-L117 HydrophobicContact CG-CD1 4.04Å; M113-L117 HydrophobicContact CG-CG 4.29Å; M113-L117 WeakPolarHBondContact O-CG 3.32Å; M113-L117 PolarHBondContact O-N 3.49Å; M113-L117 HydrophobicContact SD-CG 4.4Å; P114-L117 PolarHBondContact O-N 2.81Å; W115-L117 VanDerWaalsContact C-N 3.35Å; L117-A124 HydrophobicContact CD2-CB 3.75Å; L117-A124 HydrophobicContact CG-CB 4.4Å; L117-W186 HydrophobicContact CB-CH2 4.23Å; L117-W186 HydrophobicContact CD1-CH2 3.73Å; L117-W186 HydrophobicContact CD1-CZ3 3.86Å
118D84.4Confident92.2Very high57 Ų5744.3 Ų44.331%0.30523%0.226SC..Hα-helixtrans-78.6-29.6176.1-71.4-3.2000112.8Y61 P114 W115 A116 R187Y61-D118 VanDerWaalsContact CE1-OD1 3.23Å; Y61-D118 WeakPolarHBondContact CE1-OD1 3.34Å; Y61-D118 PolarHBondContact OH-OD1 3.03Å; P114-D118 PolarHBondContact O-N 3.12Å; P114-D118 VanDerWaalsContact O-N 3.12Å; W115-D118 PolarHBondContact O-N 3.4Å; A116-D118 VanDerWaalsContact C-N 3.3Å; A116-D118 PolarHBondContact O-N 3.48Å; D118-R187 IonicContact OD1-CZ 3.07Å; D118-R187 IonicContact OD1-NH2 2.8Å; D118-R187 PolarHBondContact OD1-NH2 2.97Å; D118-R187 IonicContact OD2-CZ 3.69Å; D118-R187 IonicContact OD2-NH1 2.71Å; D118-R187 PolarHBondContact OD2-NH1 3.44Å; D118-R187 IonicContact OD2-NH2 3.61Å; D118-R187 PolarHBondContact OD2-NH2 3.22Å
119T85.6Confident92.2Very high77 Ų7743 Ų4347%0.47222%0.216SC..Hα-helixtrans-85.1-57.4-170.4-560000112W115 A116W115-T119 PolarHBondContact NE1-OG1 2.93Å; W115-T119 WeakPolarHBondContact O-CB 3.46Å; W115-T119 PolarHBondContact O-N 2.76Å; W115-T119 PolarHBondContact O-OG1 3.28Å; A116-T119 PolarHBondContact O-N 3Å
120N86Confident92.1Very high73 Ų7347 Ų4739%0.3923%0.232SC..  trans-164.7134.7-174.1-170.9-42.2000110.7A116 H122 V123 A124A116-N120 PolarHBondContact O-N 3.22Å; N120-H122 PolarHBondContact O-N 3.45Å; N120-H122 PolarHBondContact OD1-CD2 3.09Å; N120-H122 VanDerWaalsContact OD1-CD2 3.29Å; N120-H122 PolarHBondContact OD1-N 2.87Å; N120-V123 HydrophobicContact CB-CB 4.38Å; N120-V123 HydrophobicContact CB-CG2 3.94Å; N120-V123 WeakPolarHBondContact O-CB 3.3Å; N120-V123 PolarHBondContact O-N 3.2Å; N120-A124 PolarHBondContact O-N 2.91Å; N120-A124 VanDerWaalsContact O-N 3.11Å
121Y87.1Confident92.1Very high37 Ų3747 Ų4715%0.14523%0.232CC..Hα-helixtrans-44.4-46.7171.3170.7-106.3000113.6Y63 E67 S70 L71 V123 A124 L125Y63-Y121 AromaticContact CD1-CD2 3.92Å; Y63-Y121 HydrophobicContact CD1-CD2 3.92Å; Y63-Y121 AromaticContact CE1-CD2 3.72Å; Y63-Y121 HydrophobicContact CE1-CD2 3.72Å; Y63-Y121 HydrophobicContact CE1-CG 4.35Å; E67-Y121 HydrophobicContact CB-CD2 3.94Å; E67-Y121 HydrophobicContact CB-CE2 3.47Å; E67-Y121 VanDerWaalsContact CB-CE2 3.47Å; E67-Y121 HydrophobicContact CG-CD2 3.96Å; E67-Y121 HydrophobicContact CG-CE1 4.4Å; E67-Y121 HydrophobicContact CG-CE2 3.64Å; E67-Y121 HydrophobicContact CG-CG 4.44Å; S70-Y121 WeakPolarHBondContact CB-OH 3.18Å; S70-Y121 PolarHBondContact OG-OH 3.48Å; L71-Y121 HydrophobicContact CD1-CD2 4.1Å; L71-Y121 HydrophobicContact CD1-CE2 3.91Å; L71-Y121 HydrophobicContact CD2-CD2 4.46Å; L71-Y121 HydrophobicContact CD2-CE2 4.1Å; L71-Y121 HydrophobicContact CG-CD2 4.31Å; L71-Y121 HydrophobicContact CG-CE2 3.73Å; Y121-V123 VanDerWaalsContact C-N 3.31Å; Y121-V123 PolarHBondContact O-N 2.95Å; Y121-A124 WeakPolarHBondContact O-CB 3.48Å; Y121-A124 PolarHBondContact O-N 3.46Å; Y121-L125 HydrophobicContact CE1-CD1 3.97Å; Y121-L125 WeakPolarHBondContact O-CB 3.3Å; Y121-L125 PolarHBondContact O-N 3.17Å; Y121-L125 WeakPolarHBondContact OH-CD1 3.45Å
122H91.2Very high92Very high124 Ų12445.8 Ų45.857%0.57422%0.222SC*.Hα-helixtrans-66.6-33-178.1-60.4-59000112.6N120 L125 V126N120-H122 PolarHBondContact O-N 3.45Å; N120-H122 PolarHBondContact OD1-CD2 3.09Å; N120-H122 VanDerWaalsContact OD1-CD2 3.29Å; N120-H122 PolarHBondContact OD1-N 2.87Å; H122-L125 PolarHBondContact O-N 3.47Å; H122-V126 WeakPolarHBondContact O-CG2 3.39Å; H122-V126 PolarHBondContact O-N 2.92Å
123V92.6Very high92Very high43 Ų4342.5 Ų42.526%0.26121%0.21SC..Hα-helixtrans-69.2-44.8175.8178.90000109.6W115 A116 N120 Y121 L125 V126 F127W115-V123 HydrophobicContact CZ3-CG1 4.06Å; A116-V123 HydrophobicContact CB-CG1 3.89Å; N120-V123 HydrophobicContact CB-CB 4.38Å; N120-V123 HydrophobicContact CB-CG2 3.94Å; N120-V123 WeakPolarHBondContact O-CB 3.3Å; N120-V123 PolarHBondContact O-N 3.2Å; Y121-V123 VanDerWaalsContact C-N 3.31Å; Y121-V123 PolarHBondContact O-N 2.95Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.07Å; V123-V126 PolarHBondContact O-N 2.88Å; V123-F127 HydrophobicContact CG1-CD1 4.27Å; V123-F127 HydrophobicContact CG1-CE1 4Å; V123-F127 VanDerWaalsContact O-CD1 3.27Å; V123-F127 WeakPolarHBondContact O-CD1 3.32Å; V123-F127 PolarHBondContact O-N 3.41Å
124A91.8Very high92.1Very high0 Ų043.1 Ų43.10%021%0.213CC..Hα-helixtrans-58.6-41172.900000111.7L71 A116 L117 N120 Y121 F127 R128L71-A124 HydrophobicContact CD2-CB 4.11Å; A116-A124 HydrophobicContact CB-CB 4.45Å; L117-A124 HydrophobicContact CD2-CB 3.75Å; L117-A124 HydrophobicContact CG-CB 4.4Å; N120-A124 PolarHBondContact O-N 2.91Å; N120-A124 VanDerWaalsContact O-N 3.11Å; Y121-A124 WeakPolarHBondContact O-CB 3.48Å; Y121-A124 PolarHBondContact O-N 3.46Å; A124-F127 WeakPolarHBondContact O-CB 3.09Å; A124-F127 PolarHBondContact O-N 2.96Å; A124-R128 VanDerWaalsContact O-CG 3.3Å; A124-R128 WeakPolarHBondContact O-CG 3.23Å; A124-R128 PolarHBondContact O-N 3.23Å
125L93.7Very high92.1Very high39 Ų3943.4 Ų43.420%0.20421%0.214CC..Hα-helixtrans-62.1-44.9177.8-172.2136.8000112.5S70 L71 A74 Y121 H122 V123 F127 R128 I129S70-L125 WeakPolarHBondContact OG-CD1 3.34Å; L71-L125 HydrophobicContact CD2-CB 3.93Å; A74-L125 HydrophobicContact CB-CG 4.17Å; Y121-L125 HydrophobicContact CE1-CD1 3.97Å; Y121-L125 WeakPolarHBondContact O-CB 3.3Å; Y121-L125 PolarHBondContact O-N 3.17Å; Y121-L125 WeakPolarHBondContact OH-CD1 3.45Å; H122-L125 PolarHBondContact O-N 3.47Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.07Å; L125-F127 VanDerWaalsContact C-N 3.31Å; L125-F127 PolarHBondContact O-N 2.85Å; L125-R128 PolarHBondContact O-N 3.38Å; L125-I129 HydrophobicContact CD2-CD1 3.92Å; L125-I129 WeakPolarHBondContact O-CG1 3.3Å; L125-I129 PolarHBondContact O-N 3.29Å; L125-I129 VanDerWaalsContact O-N 3.09Å
126V95.5Very high92.1Very high67 Ų6737.1 Ų37.141%0.40619%0.19SC..Hα-helixtrans-60.2-43.4174.2170.50000110.9H122 V123 R128 I129 F130H122-V126 WeakPolarHBondContact O-CG2 3.39Å; H122-V126 PolarHBondContact O-N 2.92Å; V123-V126 PolarHBondContact O-N 2.88Å; V126-R128 VanDerWaalsContact C-N 3.32Å; V126-R128 PolarHBondContact O-N 3.33Å; V126-I129 PolarHBondContact O-N 3.09Å; V126-F130 HydrophobicContact CG1-CD2 3.73Å; V126-F130 HydrophobicContact CG1-CE2 3.61Å; V126-F130 VanDerWaalsContact O-CD2 3.28Å; V126-F130 WeakPolarHBondContact O-CD2 3.31Å; V126-F130 PolarHBondContact O-N 3.33Å
127F95.6Very high92.1Very high42 Ų4237.1 Ų37.118%0.18419%0.19CC..Hα-helixtrans-63.7-38.1178.9-82.638.3000112V109 F112 M113 W115 A116 V123 A124 L125 F130 Q131V109-F127 HydrophobicContact CG1-CB 4.08Å; V109-F127 HydrophobicContact CG1-CD2 3.98Å; V109-F127 HydrophobicContact CG1-CG 4.17Å; F112-F127 HydrophobicContact CB-CE2 3.63Å; F112-F127 HydrophobicContact CB-CZ 4.4Å; M113-F127 HydrophobicContact CE-CB 3.79Å; M113-F127 HydrophobicContact SD-CB 4.01Å; W115-F127 HydrophobicContact CZ3-CZ 4.16Å; A116-F127 HydrophobicContact CB-CD2 3.77Å; A116-F127 HydrophobicContact CB-CE2 3.95Å; A116-F127 HydrophobicContact CB-CG 4.11Å; A116-F127 HydrophobicContact CB-CZ 4.46Å; V123-F127 HydrophobicContact CG1-CD1 4.27Å; V123-F127 HydrophobicContact CG1-CE1 4Å; V123-F127 VanDerWaalsContact O-CD1 3.27Å; V123-F127 WeakPolarHBondContact O-CD1 3.32Å; V123-F127 PolarHBondContact O-N 3.41Å; A124-F127 WeakPolarHBondContact O-CB 3.09Å; A124-F127 PolarHBondContact O-N 2.96Å; L125-F127 VanDerWaalsContact C-N 3.31Å; L125-F127 PolarHBondContact O-N 2.85Å; F127-F130 PolarHBondContact O-N 3.23Å; F127-Q131 WeakPolarHBondContact O-CG 3.49Å; F127-Q131 PolarHBondContact O-N 2.78Å
128R94.3Very high92.3Very high1 Ų136.9 Ų36.90%0.00419%0.189CC..Hα-helixtrans-63.3-40.8174.7-69.2-68.1-72.2163.7-11.8112.2V35 F38 L71 A74 M75 M113 A124 L125 V126 Q131 G132V35-R128 PolarHBondContact O-NH1 2.93Å; F38-R128 VanDerWaalsContact CD1-CZ 3.49Å; F38-R128 VanDerWaalsContact CD1-NH2 3.32Å; L71-R128 HydrophobicContact CB-CG 4.46Å; L71-R128 HydrophobicContact CD2-CG 3.97Å; L71-R128 PolarHBondContact O-NE 3.26Å; A74-R128 HydrophobicContact CB-CB 3.99Å; M75-R128 WeakPolarHBondContact CA-O 2.94Å; M113-R128 HydrophobicContact CE-CG 4.09Å; A124-R128 VanDerWaalsContact O-CG 3.3Å; A124-R128 WeakPolarHBondContact O-CG 3.23Å; A124-R128 PolarHBondContact O-N 3.23Å; L125-R128 PolarHBondContact O-N 3.38Å; V126-R128 VanDerWaalsContact C-N 3.32Å; V126-R128 PolarHBondContact O-N 3.33Å; R128-Q131 VanDerWaalsContact NH1-OE1 3.12Å; R128-Q131 PolarHBondContact O-N 2.85Å; R128-G132 PolarHBondContact O-N 3.21Å
129I95.9Very high92.6Very high48 Ų4834.3 Ų34.325%0.24618%0.175CC..Hα-helixtrans-61.2-46.4174-64.7170.3000110.2A74 G78 L125 V126 G132 I133A74-I129 HydrophobicContact CB-CG1 4.01Å; G78-I129 WeakPolarHBondContact CA-O 3.36Å; L125-I129 HydrophobicContact CD2-CD1 3.92Å; L125-I129 WeakPolarHBondContact O-CG1 3.3Å; L125-I129 PolarHBondContact O-N 3.29Å; L125-I129 VanDerWaalsContact O-N 3.09Å; V126-I129 PolarHBondContact O-N 3.09Å; I129-G132 PolarHBondContact O-N 3.28Å; I129-G132 VanDerWaalsContact O-N 3.16Å; I129-I133 HydrophobicContact CG2-CD1 4.08Å; I129-I133 WeakPolarHBondContact O-CG1 3.5Å; I129-I133 PolarHBondContact O-N 2.94Å
130F95.9Very high92.9Very high99 Ų9930.7 Ų30.743%0.43415%0.153SC..Hα-helixtrans-61.4-44.4176.9-84.4-71.4000112.6V109 V126 F127 G132 I133 L134V109-F130 HydrophobicContact CG2-CB 4.48Å; V126-F130 HydrophobicContact CG1-CD2 3.73Å; V126-F130 HydrophobicContact CG1-CE2 3.61Å; V126-F130 VanDerWaalsContact O-CD2 3.28Å; V126-F130 WeakPolarHBondContact O-CD2 3.31Å; V126-F130 PolarHBondContact O-N 3.33Å; F127-F130 PolarHBondContact O-N 3.23Å; F130-G132 VanDerWaalsContact C-N 3.26Å; F130-G132 PolarHBondContact O-N 3.42Å; F130-I133 PolarHBondContact O-N 2.83Å; F130-L134 WeakPolarHBondContact O-CD1 3.44Å; F130-L134 WeakPolarHBondContact O-CG 3.46Å; F130-L134 PolarHBondContact O-N 3.38Å
131Q95Very high93.3Very high0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-55.2-44.3173.3-75.9-171.2-43.900111.2C34 V35 V109 T110 M113 F127 R128 L134 Y135C34-Q131 PolarHBondContact O-NE2 3.21Å; C34-Q131 VanDerWaalsContact O-NE2 3.14Å; V35-Q131 HydrophobicContact CG2-CB 4.42Å; V109-Q131 HydrophobicContact CG1-CG 3.69Å; T110-Q131 PolarHBondContact OG1-NE2 3.41Å; M113-Q131 VanDerWaalsContact CE-CD 3.48Å; M113-Q131 HydrophobicContact CE-CG 4.26Å; F127-Q131 WeakPolarHBondContact O-CG 3.49Å; F127-Q131 PolarHBondContact O-N 2.78Å; R128-Q131 VanDerWaalsContact NH1-OE1 3.12Å; R128-Q131 PolarHBondContact O-N 2.85Å; Q131-L134 PolarHBondContact O-N 2.9Å; Q131-Y135 WeakPolarHBondContact O-CB 3.47Å; Q131-Y135 PolarHBondContact O-N 3.18Å
132G95.2Very high93.6Very high0 Ų025.4 Ų25.40%013%0.127CC..Hα-helixtrans-58.8-47.2175.700000113.5M75 G78 S79 R128 I129 F130 L134 Y135 S136M75-G132 VanDerWaalsContact O-CA 3.28Å; M75-G132 WeakPolarHBondContact O-CA 3.45Å; G78-G132 VanDerWaalsContact C-C 3.45Å; S79-G132 WeakPolarHBondContact CA-O 3.29Å; R128-G132 PolarHBondContact O-N 3.21Å; I129-G132 PolarHBondContact O-N 3.28Å; I129-G132 VanDerWaalsContact O-N 3.16Å; F130-G132 VanDerWaalsContact C-N 3.26Å; F130-G132 PolarHBondContact O-N 3.42Å; G132-L134 VanDerWaalsContact C-N 3.3Å; G132-L134 PolarHBondContact O-N 3.18Å; G132-Y135 PolarHBondContact O-N 3.27Å; G132-S136 PolarHBondContact O-N 2.89Å
133I95.9Very high93.6Very high46 Ų4619.5 Ų19.524%0.23610%0.1CC..Hα-helixtrans-59.6-43.8179-68.7168000110.7G78 I129 F130 Y135 S136G78-I133 WeakPolarHBondContact O-CA 3.36Å; G78-I133 WeakPolarHBondContact O-CG1 3.26Å; G78-I133 PolarHBondContact O-N 3.13Å; I129-I133 HydrophobicContact CG2-CD1 4.08Å; I129-I133 WeakPolarHBondContact O-CG1 3.5Å; I129-I133 PolarHBondContact O-N 2.94Å; F130-I133 PolarHBondContact O-N 2.83Å; I133-Y135 VanDerWaalsContact C-N 3.34Å; I133-S136 PolarHBondContact O-N 3.31Å; I133-S136 PolarHBondContact O-OG 3.47Å
134L94.9Very high93.5Very high12 Ų1218.2 Ų18.26%0.0639%0.091CC..Hα-helixtrans-72.6-28.9-177.6-60.9166.4000112.5A102 L105 C106 V109 F130 Q131 G132A102-L134 HydrophobicContact CB-CD2 4.26Å; L105-L134 HydrophobicContact CB-CD1 4.08Å; L105-L134 HydrophobicContact CB-CD2 4.09Å; L105-L134 HydrophobicContact CD2-CD1 4.12Å; L105-L134 HydrophobicContact CD2-CD2 3.74Å; L105-L134 HydrophobicContact CG-CD1 3.77Å; L105-L134 HydrophobicContact CG-CD2 4.12Å; C106-L134 HydrophobicContact CB-CB 4.06Å; C106-L134 HydrophobicContact CB-CD1 4.09Å; V109-L134 HydrophobicContact CG2-CD1 4.29Å; F130-L134 WeakPolarHBondContact O-CD1 3.44Å; F130-L134 WeakPolarHBondContact O-CG 3.46Å; F130-L134 PolarHBondContact O-N 3.38Å; Q131-L134 PolarHBondContact O-N 2.9Å; G132-L134 VanDerWaalsContact C-N 3.3Å; G132-L134 PolarHBondContact O-N 3.18Å
135Y92.3Very high93.5Very high8 Ų818.2 Ų18.23%0.0319%0.091CC..Hα-helixtrans-75.6-22.5177.8-179.9-113.4000114.3V31 M32 V35 Q131 G132 I133 A137 D138 K388V31-Y135 HydrophobicContact CG1-CD2 3.96Å; M32-Y135 HydrophobicContact CB-CE2 4.18Å; M32-Y135 HydrophobicContact CG-CE2 4.43Å; V35-Y135 HydrophobicContact CB-CD2 4.46Å; V35-Y135 HydrophobicContact CG1-CG 4.4Å; V35-Y135 HydrophobicContact CG2-CD2 4.04Å; V35-Y135 HydrophobicContact CG2-CG 4.23Å; Q131-Y135 WeakPolarHBondContact O-CB 3.47Å; Q131-Y135 PolarHBondContact O-N 3.18Å; G132-Y135 PolarHBondContact O-N 3.27Å; I133-Y135 VanDerWaalsContact C-N 3.34Å; Y135-A137 PolarHBondContact O-N 3.38Å; Y135-D138 WeakPolarHBondContact CD2-OD2 2.98Å; Y135-D138 WeakPolarHBondContact CE2-OD2 3.48Å; Y135-D138 PolarHBondContact O-N 3.18Å; Y135-K388 PolarHBondContact OH-NZ 2.84Å
136S93.4Very high93.3Very high2 Ų216.5 Ų16.51%0.0148%0.082CC..THydrogen-bonded Turntrans-68.2-3.2-16864.90000116.7S79 G82 M83 Q86 G132 I133S79-S136 VanDerWaalsContact O-CB 3.31Å; S79-S136 WeakPolarHBondContact O-CB 3.26Å; G82-S136 WeakPolarHBondContact CA-OG 3.37Å; G82-S136 PolarHBondContact O-OG 3.39Å; M83-S136 PolarHBondContact N-OG 2.94Å; Q86-S136 VanDerWaalsContact CG-OG 3.3Å; Q86-S136 WeakPolarHBondContact CG-OG 3.4Å; G132-S136 PolarHBondContact O-N 2.89Å; I133-S136 PolarHBondContact O-N 3.31Å; I133-S136 PolarHBondContact O-OG 3.47Å
137A90Very high92.9Very high0 Ų015 Ų150%08%0.075CC..THydrogen-bonded Turntrans-89.1-12.8-17800000114.3Q86 M90 Y135 F139 G140 V141Q86-A137 HydrophobicContact CB-CB 4.18Å; Q86-A137 HydrophobicContact CG-CB 4.37Å; M90-A137 HydrophobicContact CE-CB 4.26Å; M90-A137 HydrophobicContact SD-CB 4.17Å; Y135-A137 PolarHBondContact O-N 3.38Å; A137-F139 PolarHBondContact O-N 3.47Å; A137-G140 WeakPolarHBondContact O-CA 3.19Å; A137-G140 PolarHBondContact O-N 2.89Å; A137-V141 PolarHBondContact O-N 3.01Å
138D91.3Very high92.5Very high0 Ų014.6 Ų14.60%07%0.073CC..Hα-helixtrans-55.8-55.4-164.3-764.7000114.5L28 Y135 G140 V141 V142 F165L28-D138 HydrophobicContact CD2-CB 4.11Å; Y135-D138 WeakPolarHBondContact CD2-OD2 2.98Å; Y135-D138 WeakPolarHBondContact CE2-OD2 3.48Å; Y135-D138 PolarHBondContact O-N 3.18Å; D138-G140 PolarHBondContact O-N 2.9Å; D138-V141 WeakPolarHBondContact O-CB 3.38Å; D138-V141 PolarHBondContact O-N 3.49Å; D138-V141 VanDerWaalsContact O-N 3.14Å; D138-V142 WeakPolarHBondContact O-CG2 3.48Å; D138-V142 PolarHBondContact O-N 3.02Å; D138-F165 HydrophobicContact CB-CE2 4.25Å; D138-F165 HydrophobicContact CB-CZ 3.83Å; D138-F165 WeakPolarHBondContact OD2-CE2 3.4Å
139F91.7Very high92.3Very high2 Ų214.6 Ų14.61%0.0097%0.072CC..Hα-helixtrans-68-25.4178.6-77.3-74.8000112.9A137 V142 G143 F165 T166 Y366 I381 Q385 K388A137-F139 PolarHBondContact O-N 3.47Å; F139-V142 PolarHBondContact O-N 2.87Å; F139-G143 PolarHBondContact O-N 3.43Å; F139-F165 HydrophobicContact CE1-CE1 4.41Å; F139-F165 HydrophobicContact CE2-CZ 4.46Å; F139-F165 HydrophobicContact CZ-CE1 4.42Å; F139-F165 HydrophobicContact CZ-CZ 4.42Å; F139-T166 HydrophobicContact CZ-CG2 4.44Å; F139-Y366 AromaticContact CD1-CE1 3.99Å; F139-Y366 HydrophobicContact CD1-CE1 3.99Å; F139-Y366 AromaticContact CE1-CE1 3.67Å; F139-Y366 HydrophobicContact CE1-CE1 3.67Å; F139-Y366 AromaticContact CE1-CZ 3.74Å; F139-Y366 WeakPolarHBondContact CE1-OH 3.48Å; F139-Y366 WeakPolarHBondContact CZ-OH 3.39Å; F139-I381 WeakPolarHBondContact CB-O 3.15Å; F139-I381 HydrophobicContact CD1-CG2 4.46Å; F139-I381 WeakPolarHBondContact O-CG2 3.16Å; F139-Q385 HydrophobicContact CB-CB 4.38Å; F139-Q385 HydrophobicContact CD2-CB 4.28Å; F139-K388 HydrophobicContact CE2-CD 3.71Å
140G92.1Very high91.9Very high1 Ų112.7 Ų12.71%0.016%0.063CC..Hα-helixtrans-64.6-45.1171.200000110.9A137 D138 G143 Y144A137-G140 WeakPolarHBondContact O-CA 3.19Å; A137-G140 PolarHBondContact O-N 2.89Å; D138-G140 PolarHBondContact O-N 2.9Å; G140-G143 PolarHBondContact O-N 3.13Å; G140-Y144 VanDerWaalsContact O-CD2 3.32Å; G140-Y144 WeakPolarHBondContact O-CD2 3.13Å; G140-Y144 PolarHBondContact O-N 2.91Å
141V94.1Very high91.5Very high0 Ų08.2 Ų8.20%04%0.044CC..Hα-helixtrans-60.8-44.6173.7175.50000110.9T24 L28 M90 P95 L99 A137 D138 G143 Y144 V145T24-V141 HydrophobicContact CG2-CG1 3.96Å; L28-V141 HydrophobicContact CD2-CB 4.28Å; L28-V141 HydrophobicContact CD2-CG1 4.32Å; M90-V141 HydrophobicContact SD-CG2 4.02Å; P95-V141 HydrophobicContact CB-CG2 4.24Å; L99-V141 HydrophobicContact CB-CG2 4.24Å; L99-V141 HydrophobicContact CD1-CG2 4.26Å; L99-V141 HydrophobicContact CD2-CG1 4.07Å; L99-V141 HydrophobicContact CD2-CG2 4.04Å; L99-V141 HydrophobicContact CG-CG2 4.41Å; A137-V141 PolarHBondContact O-N 3.01Å; D138-V141 WeakPolarHBondContact O-CB 3.38Å; D138-V141 PolarHBondContact O-N 3.49Å; D138-V141 VanDerWaalsContact O-N 3.14Å; V141-G143 VanDerWaalsContact C-N 3.31Å; V141-G143 PolarHBondContact O-N 2.87Å; V141-Y144 PolarHBondContact O-N 3.07Å; V141-V145 HydrophobicContact CG1-CG2 3.95Å; V141-V145 WeakPolarHBondContact O-CB 3.3Å; V141-V145 VanDerWaalsContact O-CG2 3.27Å; V141-V145 WeakPolarHBondContact O-CG2 3.3Å; V141-V145 PolarHBondContact O-N 3.41Å
142V94.1Very high90.9Very high0 Ų013.3 Ų13.30%07%0.07CC..Hα-helixtrans-54.8-48.6174.61730000110.6L28 D138 F139 C146 L159 L162 F165 I381L28-V142 HydrophobicContact CD1-CG2 3.63Å; D138-V142 WeakPolarHBondContact O-CG2 3.48Å; D138-V142 PolarHBondContact O-N 3.02Å; F139-V142 PolarHBondContact O-N 2.87Å; V142-C146 WeakPolarHBondContact O-CB 3.39Å; V142-C146 PolarHBondContact O-N 3.14Å; V142-L159 HydrophobicContact CG1-CD2 4.13Å; V142-L162 HydrophobicContact CG1-CB 3.92Å; V142-L162 HydrophobicContact CG1-CD1 4.48Å; V142-L162 HydrophobicContact CG2-CB 4.31Å; V142-F165 HydrophobicContact CG2-CD1 4.48Å; V142-F165 HydrophobicContact CG2-CE1 4.12Å; V142-I381 HydrophobicContact CG1-CG2 4.3Å
143G91Very high90.3Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-65.3-39.3178.600000113.6F139 G140 V141 S147F139-G143 PolarHBondContact O-N 3.43Å; G140-G143 PolarHBondContact O-N 3.13Å; V141-G143 VanDerWaalsContact C-N 3.31Å; V141-G143 PolarHBondContact O-N 2.87Å; G143-S147 VanDerWaalsContact O-CB 3.31Å; G143-S147 WeakPolarHBondContact O-CB 3.38Å; G143-S147 PolarHBondContact O-N 3.36Å; G143-S147 PolarHBondContact O-OG 3.18Å
144Y90.6Very high89.8Confident16 Ų1622.6 Ų22.66%0.06311%0.11CC..Hα-helixtrans-63.4-54.7175.4-96.6-76.3000112M90 Q91 P95 G140 V141 C146 S147 K148 R232 Y378M90-Y144 HydrophobicContact CB-CD2 4.37Å; M90-Y144 HydrophobicContact CB-CE2 3.73Å; M90-Y144 HydrophobicContact SD-CD2 4.28Å; M90-Y144 HydrophobicContact SD-CE2 4.44Å; Q91-Y144 VanDerWaalsContact CA-OH 3.3Å; Q91-Y144 WeakPolarHBondContact CA-OH 3.39Å; Q91-Y144 VanDerWaalsContact CG-OH 3.27Å; Q91-Y144 WeakPolarHBondContact CG-OH 3.44Å; Q91-Y144 PolarHBondContact N-OH 2.94Å; P95-Y144 HydrophobicContact CG-CD1 4.23Å; P95-Y144 HydrophobicContact CG-CG 4.04Å; G140-Y144 VanDerWaalsContact O-CD2 3.32Å; G140-Y144 WeakPolarHBondContact O-CD2 3.13Å; G140-Y144 PolarHBondContact O-N 2.91Å; V141-Y144 PolarHBondContact O-N 3.07Å; Y144-C146 VanDerWaalsContact C-N 3.3Å; Y144-C146 PolarHBondContact O-N 2.65Å; Y144-S147 PolarHBondContact O-N 3.33Å; Y144-S147 PolarHBondContact O-OG 2.98Å; Y144-K148 PolarHBondContact O-N 3.05Å; Y144-R232 VanDerWaalsContact CE1-NH1 3.34Å; Y144-R232 PolarHBondContact OH-NH1 2.82Å; Y144-Y378 HydrophobicContact CD2-CD2 4.42Å; Y144-Y378 HydrophobicContact CD2-CG 4.15Å; Y144-Y378 HydrophobicContact CE1-CG 4.16Å; Y144-Y378 AromaticContact CE2-CD2 3.56Å; Y144-Y378 HydrophobicContact CE2-CD2 3.56Å; Y144-Y378 AromaticContact CE2-CG 3.67Å; Y144-Y378 HydrophobicContact CE2-CG 3.67Å; Y144-Y378 AromaticContact CZ-CD2 3.61Å; Y144-Y378 AromaticContact CZ-CG 3.66Å; Y144-Y378 WeakPolarHBondContact OH-CD2 3.4Å
145V92.1Very high89.6Confident0 Ų022.4 Ų22.40%011%0.11CC..Hα-helixtrans-61-43.4-179.31780000109.6I20 F21 T24 V141 K148 W149 L162 Y208I20-V145 HydrophobicContact CG2-CG1 4.2Å; F21-V145 HydrophobicContact CD1-CG1 3.94Å; F21-V145 HydrophobicContact CE1-CG1 3.93Å; T24-V145 HydrophobicContact CG2-CG2 4.13Å; V141-V145 HydrophobicContact CG1-CG2 3.95Å; V141-V145 WeakPolarHBondContact O-CB 3.3Å; V141-V145 VanDerWaalsContact O-CG2 3.27Å; V141-V145 WeakPolarHBondContact O-CG2 3.3Å; V141-V145 PolarHBondContact O-N 3.41Å; V145-K148 PolarHBondContact O-N 2.94Å; V145-W149 HydrophobicContact CG1-CB 4.26Å; V145-W149 HydrophobicContact CG1-CG 4.47Å; V145-W149 WeakPolarHBondContact O-CA 3.33Å; V145-W149 VanDerWaalsContact O-CB 3.28Å; V145-W149 WeakPolarHBondContact O-CB 3.26Å; V145-W149 PolarHBondContact O-N 3.03Å; V145-L162 HydrophobicContact CB-CD1 4.07Å; V145-L162 HydrophobicContact CB-CD2 4.39Å; V145-L162 HydrophobicContact CG1-CD1 3.89Å; V145-L162 HydrophobicContact CG1-CD2 3.9Å; V145-Y208 HydrophobicContact CG2-CE2 3.77Å; V145-Y208 WeakPolarHBondContact CG2-OH 3.36Å
146C89.6Confident89.4Confident2 Ų222 Ų221%0.01411%0.108CC..Hα-helixtrans-59.4-49175.4-175.30000111.8V142 Y144 K148 S150 V155 L159 L162V142-C146 WeakPolarHBondContact O-CB 3.39Å; V142-C146 PolarHBondContact O-N 3.14Å; Y144-C146 VanDerWaalsContact C-N 3.3Å; Y144-C146 PolarHBondContact O-N 2.65Å; C146-K148 PolarHBondContact O-N 3.48Å; C146-S150 WeakPolarHBondContact O-CB 3.45Å; C146-S150 PolarHBondContact O-N 3.19Å; C146-V155 WeakPolarHBondContact SG-CG2 3.14Å; C146-L159 HydrophobicContact CB-CD2 4.24Å; C146-L162 HydrophobicContact CB-CD1 4.11Å
147S86.6Confident89.3Confident37 Ų3723.9 Ų23.926%0.25912%0.117SC..Hα-helixtrans-63.1-25.6-177.870.40000115G143 Y144G143-S147 VanDerWaalsContact O-CB 3.31Å; G143-S147 WeakPolarHBondContact O-CB 3.38Å; G143-S147 PolarHBondContact O-N 3.36Å; G143-S147 PolarHBondContact O-OG 3.18Å; Y144-S147 PolarHBondContact O-N 3.33Å; Y144-S147 PolarHBondContact O-OG 2.98Å
148K87Confident89.4Confident33 Ų3323.9 Ų23.914%0.14312%0.117CC..Hα-helixtrans-107.4-35.6-172.5-74.6-73.9-171.9158.90113.9Y144 V145 C146 D211 P212 I226Y144-K148 PolarHBondContact O-N 3.05Å; V145-K148 PolarHBondContact O-N 2.94Å; C146-K148 PolarHBondContact O-N 3.48Å; K148-D211 IonicContact NZ-OD1 3.89Å; K148-D211 PolarHBondContact NZ-OD1 3.13Å; K148-P212 WeakPolarHBondContact O-CG 3.41Å; K148-I226 WeakPolarHBondContact O-CG2 3.24Å
149W89.5Confident89.4Confident0 Ų023.9 Ų23.90%012%0.117CC..Hα-helixtrans-107.7-8-172.2-70.882.1000113.4I16 R17 I20 F21 V145 Y208 R209 P212 H215 M218I16-W149 HydrophobicContact CG2-CZ3 4.23Å; R17-W149 HydrophobicContact CB-CE3 4.44Å; I20-W149 HydrophobicContact CB-CD2 4.47Å; I20-W149 HydrophobicContact CB-CE3 4.18Å; I20-W149 HydrophobicContact CB-CZ3 4.4Å; I20-W149 HydrophobicContact CD1-CH2 4.28Å; I20-W149 HydrophobicContact CD1-CZ3 4.49Å; I20-W149 HydrophobicContact CG1-CD2 4.35Å; I20-W149 HydrophobicContact CG1-CE3 3.85Å; I20-W149 HydrophobicContact CG1-CH2 3.82Å; I20-W149 HydrophobicContact CG1-CZ2 4.33Å; I20-W149 HydrophobicContact CG1-CZ3 3.56Å; I20-W149 HydrophobicContact CG2-CD2 4.04Å; I20-W149 HydrophobicContact CG2-CE3 4.26Å; I20-W149 HydrophobicContact CG2-CG 4.28Å; F21-W149 HydrophobicContact CE1-CB 3.82Å; F21-W149 HydrophobicContact CZ-CB 4.37Å; V145-W149 HydrophobicContact CG1-CB 4.26Å; V145-W149 HydrophobicContact CG1-CG 4.47Å; V145-W149 WeakPolarHBondContact O-CA 3.33Å; V145-W149 VanDerWaalsContact O-CB 3.28Å; V145-W149 WeakPolarHBondContact O-CB 3.26Å; V145-W149 PolarHBondContact O-N 3.03Å; W149-Y208 AromaticContact NE1-CE2 3.78Å; W149-R209 HydrophobicContact CZ2-CB 4.36Å; W149-R209 VanDerWaalsContact CZ2-O 3.24Å; W149-R209 WeakPolarHBondContact CZ2-O 3.47Å; W149-R209 PolarHBondContact NE1-O 3.32Å; W149-P212 HydrophobicContact CD2-CB 4.47Å; W149-P212 HydrophobicContact CD2-CG 4.13Å; W149-P212 HydrophobicContact CG-CG 4.35Å; W149-P212 HydrophobicContact CH2-CB 4.43Å; W149-P212 HydrophobicContact CZ2-CB 4.34Å; W149-P212 HydrophobicContact CZ2-CG 4.48Å; W149-H215 HydrophobicContact CH2-CB 3.73Å; W149-H215 AromaticContact CH2-CD2 3.77Å; W149-H215 AromaticContact CH2-CG 3.79Å; W149-H215 HydrophobicContact CZ2-CB 4.39Å; W149-M218 HydrophobicContact CE3-CE 4.11Å; W149-M218 HydrophobicContact CH2-CE 3.79Å; W149-M218 HydrophobicContact CZ3-CE 3.35Å
150S88.8Confident89.5Confident8 Ų824 Ų246%0.05612%0.118CC..SBendtrans-102.9132.4178.7-170.70000112C146 V155 S158C146-S150 WeakPolarHBondContact O-CB 3.45Å; C146-S150 PolarHBondContact O-N 3.19Å; S150-V155 WeakPolarHBondContact OG-CA 3.28Å; S150-S158 WeakPolarHBondContact CB-OG 3.05Å; S150-S158 WeakPolarHBondContact OG-CB 3.03Å; S150-S158 PolarHBondContact OG-OG 3.48Å
151P86.9Confident89.5Confident5 Ų525.4 Ų25.43%0.03213%0.129CC..  trans-69.1140.8162.7-4.918.8000110.5R17 K153 E154 V155 I226R17-P151 VanDerWaalsContact NH1-CD 3.27Å; P151-K153 PolarHBondContact O-N 2.79Å; P151-E154 HydrophobicContact CG-CB 4.41Å; P151-E154 CarbonylContact O-C 3.59Å; P151-E154 PolarHBondContact O-N 2.96Å; P151-V155 PolarHBondContact O-N 3.45Å; P151-I226 HydrophobicContact CG-CG1 4.47Å
152I81.6Confident89.4Confident107 Ų10725.4 Ų25.455%0.54913%0.129SC..G310 helixtrans-53.5-35.3179.2-61174.1000112.3E154 V155 L371I152-E154 VanDerWaalsContact C-N 3.3Å; I152-E154 PolarHBondContact O-N 3.43Å; I152-V155 WeakPolarHBondContact O-CG1 3.5Å; I152-L371 HydrophobicContact CG2-CD2 3.95Å
153K83.4Confident89.3Confident183 Ų18325.4 Ų25.480%0.79613%0.129SC*.G310 helixtrans-71.3-21.1179.8-65.6-176.2-179.3177.70114.2P151P151-K153 PolarHBondContact O-N 2.79Å
154E85.8Confident89.1Confident59 Ų5925.6 Ų25.628%0.27613%0.131SC..G310 helixtrans-121.223.8-175.7-60.7-176.8168.900111.4R17 P151 I152 G156 S158 H225 D307R17-E154 IonicContact CZ-OE2 3.04Å; R17-E154 IonicContact NH1-OE2 2.76Å; R17-E154 PolarHBondContact NH1-OE2 3.36Å; R17-E154 IonicContact NH2-OE1 2.69Å; R17-E154 IonicContact NH2-OE2 3.85Å; R17-E154 PolarHBondContact NH2-OE2 2.95Å; P151-E154 HydrophobicContact CG-CB 4.41Å; P151-E154 CarbonylContact O-C 3.59Å; P151-E154 PolarHBondContact O-N 2.96Å; I152-E154 VanDerWaalsContact C-N 3.3Å; I152-E154 PolarHBondContact O-N 3.43Å; E154-G156 VanDerWaalsContact C-N 3.31Å; E154-G156 PolarHBondContact O-N 3.47Å; E154-S158 PolarHBondContact O-N 2.93Å; E154-S158 VanDerWaalsContact O-N 3.13Å; E154-S158 PolarHBondContact O-OG 3.29Å; E154-H225 IonicContact OE1-NE2 3.09Å; E154-H225 IonicContact OE2-NE2 2.67Å; E154-D307 VanDerWaalsContact CA-OD2 3.22Å; E154-D307 WeakPolarHBondContact CA-OD2 3.24Å
155V89.1Confident89.1Confident8 Ų824.8 Ų24.85%0.04813%0.128CC..Hα-helixtrans-69.7-30.6-174.679.10000111.6C146 S150 P151 I152 S158 L159 K367 A370 L371C146-V155 WeakPolarHBondContact SG-CG2 3.14Å; S150-V155 WeakPolarHBondContact OG-CA 3.28Å; P151-V155 PolarHBondContact O-N 3.45Å; I152-V155 WeakPolarHBondContact O-CG1 3.5Å; V155-S158 PolarHBondContact O-N 3.31Å; V155-L159 HydrophobicContact CG2-CD1 4.19Å; V155-L159 WeakPolarHBondContact O-CB 3.45Å; V155-L159 WeakPolarHBondContact O-CD1 3.46Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 2.96Å; V155-K367 HydrophobicContact CG1-CD 4.25Å; V155-K367 HydrophobicContact CG1-CG 3.83Å; V155-A370 HydrophobicContact CG2-CB 3.77Å; V155-L371 HydrophobicContact CG1-CD2 4.19Å; V155-L371 HydrophobicContact CG1-CG 4.49Å
156G88.9Confident88.9Confident0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-64.5-45.3178.400000112E154 L159 A160 D307E154-G156 VanDerWaalsContact C-N 3.31Å; E154-G156 PolarHBondContact O-N 3.47Å; G156-L159 PolarHBondContact O-N 3.02Å; G156-A160 WeakPolarHBondContact O-CB 3.41Å; G156-A160 PolarHBondContact O-N 3.36Å; G156-D307 WeakPolarHBondContact CA-OD1 3.37Å; G156-D307 PolarHBondContact N-OD1 3.36Å; G156-D307 VanDerWaalsContact N-OD1 3.13Å; G156-D307 PolarHBondContact N-OD2 3.36Å
157M90.6Very high88.6Confident41 Ų4126.9 Ų26.920%0.20214%0.142CC..Hα-helixtrans-69-37.1176-174.763.8149.500112.3W18 A160 A161 V300 I304 D307W18-M157 HydrophobicContact CH2-CB 4.2Å; W18-M157 HydrophobicContact CH2-CE 4.45Å; W18-M157 HydrophobicContact CH2-CG 3.34Å; W18-M157 HydrophobicContact CZ2-CG 4.42Å; W18-M157 HydrophobicContact CZ3-CG 3.84Å; M157-A160 PolarHBondContact O-N 3.05Å; M157-A161 WeakPolarHBondContact O-CB 3.28Å; M157-A161 PolarHBondContact O-N 3.33Å; M157-V300 HydrophobicContact CE-CG1 4.35Å; M157-I304 HydrophobicContact CE-CD1 3.71Å; M157-I304 HydrophobicContact CE-CG1 3.25Å; M157-I304 HydrophobicContact SD-CG1 3.58Å; M157-I304 VanDerWaalsContact SD-CG1 3.58Å; M157-D307 VanDerWaalsContact CB-OD2 3.3Å; M157-D307 WeakPolarHBondContact CB-OD2 3.28Å; M157-D307 PolarHBondContact N-OD2 3.05Å
158S91.9Very high88.4Confident0 Ų025.1 Ų25.10%013%0.13CC..Hα-helixtrans-64.5-42.7176.4-55.20000111.2F21 S150 E154 V155 A161 L162F21-S158 WeakPolarHBondContact CE2-OG 3.3Å; S150-S158 WeakPolarHBondContact CB-OG 3.05Å; S150-S158 WeakPolarHBondContact OG-CB 3.03Å; S150-S158 PolarHBondContact OG-OG 3.48Å; E154-S158 PolarHBondContact O-N 2.93Å; E154-S158 VanDerWaalsContact O-N 3.13Å; E154-S158 PolarHBondContact O-OG 3.29Å; V155-S158 PolarHBondContact O-N 3.31Å; S158-A161 PolarHBondContact O-N 3.09Å; S158-L162 WeakPolarHBondContact O-CB 3.27Å; S158-L162 VanDerWaalsContact O-CG 3.28Å; S158-L162 WeakPolarHBondContact O-CG 3.48Å; S158-L162 PolarHBondContact O-N 2.79Å
159L92.8Very high88.1Confident0 Ų026.5 Ų26.50%013%0.134CC..Hα-helixtrans-65.8-43.1173.3-74.1164.4000111.5V142 C146 V155 G156 A161 L162 S163 Y366 K367 A370 I381V142-L159 HydrophobicContact CG1-CD2 4.13Å; C146-L159 HydrophobicContact CB-CD2 4.24Å; V155-L159 HydrophobicContact CG2-CD1 4.19Å; V155-L159 WeakPolarHBondContact O-CB 3.45Å; V155-L159 WeakPolarHBondContact O-CD1 3.46Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 2.96Å; G156-L159 PolarHBondContact O-N 3.02Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 3.14Å; L159-L162 PolarHBondContact O-N 3.33Å; L159-S163 WeakPolarHBondContact O-CB 3.45Å; L159-S163 PolarHBondContact O-N 3.05Å; L159-S163 PolarHBondContact O-OG 3.38Å; L159-Y366 VanDerWaalsContact CD1-C 3.49Å; L159-Y366 WeakPolarHBondContact CD1-O 3.47Å; L159-K367 HydrophobicContact CD1-CB 4.19Å; L159-A370 HydrophobicContact CD1-CB 3.98Å; L159-I381 HydrophobicContact CD2-CD1 3.93Å
160A92.9Very high87.6Confident3 Ų326.9 Ų26.93%0.02514%0.137CC..Hα-helixtrans-55.5-46.1175.700000111.7G156 M157 G164 R299 C362G156-A160 WeakPolarHBondContact O-CB 3.41Å; G156-A160 PolarHBondContact O-N 3.36Å; M157-A160 PolarHBondContact O-N 3.05Å; A160-G164 PolarHBondContact O-N 3.46Å; A160-R299 HydrophobicContact CB-CG 4.29Å; A160-R299 PolarHBondContact O-NE 3.49Å; A160-C362 HydrophobicContact CB-CB 3.86Å
161A92.1Very high87.1Confident31 Ų3129 Ų2926%0.25615%0.15SC..Hα-helixtrans-65-47.4176.600000112.3F21 M157 S158 L159F21-A161 HydrophobicContact CB-CB 4.27Å; M157-A161 WeakPolarHBondContact O-CB 3.28Å; M157-A161 PolarHBondContact O-N 3.33Å; S158-A161 PolarHBondContact O-N 3.09Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 3.14Å
162L93.1Very high87Confident0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-72.4-55-175.6-70.8169.8000112.5F21 T24 V142 V145 C146 S158 L159 G164 F165F21-L162 HydrophobicContact CB-CD2 4.27Å; F21-L162 HydrophobicContact CD1-CD1 4.21Å; F21-L162 HydrophobicContact CD1-CD2 3.93Å; F21-L162 HydrophobicContact CD1-CG 4.12Å; F21-L162 HydrophobicContact CE1-CD1 4.3Å; F21-L162 HydrophobicContact CG-CD2 4.38Å; F21-L162 HydrophobicContact CG-CG 4.44Å; T24-L162 HydrophobicContact CG2-CD2 3.76Å; V142-L162 HydrophobicContact CG1-CB 3.92Å; V142-L162 HydrophobicContact CG1-CD1 4.48Å; V142-L162 HydrophobicContact CG2-CB 4.31Å; V145-L162 HydrophobicContact CB-CD1 4.07Å; V145-L162 HydrophobicContact CB-CD2 4.39Å; V145-L162 HydrophobicContact CG1-CD1 3.89Å; V145-L162 HydrophobicContact CG1-CD2 3.9Å; C146-L162 HydrophobicContact CB-CD1 4.11Å; S158-L162 WeakPolarHBondContact O-CB 3.27Å; S158-L162 VanDerWaalsContact O-CG 3.28Å; S158-L162 WeakPolarHBondContact O-CG 3.48Å; S158-L162 PolarHBondContact O-N 2.79Å; L159-L162 PolarHBondContact O-N 3.33Å; L162-G164 PolarHBondContact O-N 3.13Å; L162-F165 VanDerWaalsContact O-CD1 3.29Å; L162-F165 WeakPolarHBondContact O-CD1 3.49Å; L162-F165 PolarHBondContact O-N 3.46Å
163S90.5Very high87.2Confident0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-74.1-9.6-176.461.10000113.8L159 F165 R299L159-S163 WeakPolarHBondContact O-CB 3.45Å; L159-S163 PolarHBondContact O-N 3.05Å; L159-S163 PolarHBondContact O-OG 3.38Å; S163-F165 PolarHBondContact O-N 3.26Å; S163-F165 VanDerWaalsContact O-N 3.13Å; S163-R299 PolarHBondContact OG-NH2 2.99Å
164G88.5Confident87.1Confident4 Ų419.1 Ų19.14%0.04111%0.106CC..G310 helixtrans-66.2-617300000114.3W25 A160 L162 T166 A167 R299W25-G164 PolarHBondContact NE1-O 3.35Å; W25-G164 VanDerWaalsContact NE1-O 3.09Å; A160-G164 PolarHBondContact O-N 3.46Å; L162-G164 PolarHBondContact O-N 3.13Å; G164-T166 PolarHBondContact O-N 3.44Å; G164-T166 VanDerWaalsContact O-N 3.14Å; G164-A167 PolarHBondContact O-N 3.34Å; G164-A167 VanDerWaalsContact O-N 3.16Å; G164-R299 VanDerWaalsContact CA-CD 3.49Å; G164-R299 VanDerWaalsContact CA-NE 3.33Å
165F90.6Very high87Confident0 Ų019.4 Ų19.40%011%0.113CC..G310 helixtrans-61.1-20.1178.981-86.3000112.5W25 L28 M32 D138 F139 V142 L162 S163 A167 A168W25-F165 HydrophobicContact CG-CB 4.34Å; L28-F165 HydrophobicContact CB-CB 3.92Å; L28-F165 HydrophobicContact CB-CD1 4.11Å; L28-F165 HydrophobicContact CB-CD2 3.63Å; L28-F165 HydrophobicContact CB-CE2 4.13Å; L28-F165 HydrophobicContact CB-CG 3.61Å; L28-F165 HydrophobicContact CD1-CD1 4.03Å; L28-F165 HydrophobicContact CD1-CE1 4.22Å; L28-F165 HydrophobicContact CD1-CG 4.37Å; M32-F165 HydrophobicContact CB-CD2 4.28Å; M32-F165 HydrophobicContact CB-CE2 4.34Å; M32-F165 HydrophobicContact SD-CD2 3.97Å; M32-F165 HydrophobicContact SD-CE2 3.84Å; D138-F165 HydrophobicContact CB-CE2 4.25Å; D138-F165 HydrophobicContact CB-CZ 3.83Å; D138-F165 WeakPolarHBondContact OD2-CE2 3.4Å; F139-F165 HydrophobicContact CE1-CE1 4.41Å; F139-F165 HydrophobicContact CE2-CZ 4.46Å; F139-F165 HydrophobicContact CZ-CE1 4.42Å; F139-F165 HydrophobicContact CZ-CZ 4.42Å; V142-F165 HydrophobicContact CG2-CD1 4.48Å; V142-F165 HydrophobicContact CG2-CE1 4.12Å; L162-F165 VanDerWaalsContact O-CD1 3.29Å; L162-F165 WeakPolarHBondContact O-CD1 3.49Å; L162-F165 PolarHBondContact O-N 3.46Å; S163-F165 PolarHBondContact O-N 3.26Å; S163-F165 VanDerWaalsContact O-N 3.13Å; F165-A167 PolarHBondContact O-N 3.25Å; F165-A167 VanDerWaalsContact O-N 3.09Å; F165-A168 WeakPolarHBondContact O-CB 3.23Å; F165-A168 PolarHBondContact O-N 2.93Å
166T86.2Confident86.8Confident39 Ų3921.2 Ų21.224%0.23912%0.122CC..G310 helixtrans-60.3-19.5175.860.50000113.6M32 F139 G164M32-T166 VanDerWaalsContact CE-O 3.28Å; M32-T166 WeakPolarHBondContact CE-O 3.37Å; M32-T166 HydrophobicContact SD-CG2 4.48Å; F139-T166 HydrophobicContact CZ-CG2 4.44Å; G164-T166 PolarHBondContact O-N 3.44Å; G164-T166 VanDerWaalsContact O-N 3.14Å
167A84.8Confident86.5Confident7 Ų721.4 Ų21.46%0.05812%0.123CC..G310 helixtrans-90.80.317400000114G164 F165 R169 A170 V171 F295 I296G164-A167 PolarHBondContact O-N 3.34Å; G164-A167 VanDerWaalsContact O-N 3.16Å; F165-A167 PolarHBondContact O-N 3.25Å; F165-A167 VanDerWaalsContact O-N 3.09Å; A167-R169 PolarHBondContact O-N 3.39Å; A167-R169 VanDerWaalsContact O-N 3.17Å; A167-A170 PolarHBondContact O-N 3.36Å; A167-V171 PolarHBondContact O-N 3.25Å; A167-F295 HydrophobicContact CB-CD1 3.68Å; A167-F295 HydrophobicContact CB-CE1 3.83Å; A167-I296 HydrophobicContact CB-CD1 3.75Å; A167-I296 HydrophobicContact CB-CG1 3.54Å
168A82.1Confident85.9Confident0 Ų021.2 Ų21.20%013%0.132CC..Hα-helixtrans-57.2-32.9-17900000112.5W25 N33 F165 A170 V171 I172W25-A168 HydrophobicContact CH2-CB 4.28Å; W25-A168 HydrophobicContact CZ2-CB 4.32Å; N33-A168 VanDerWaalsContact OD1-C 3.29Å; N33-A168 PolarHBondContact OD1-O 2.72Å; F165-A168 WeakPolarHBondContact O-CB 3.23Å; F165-A168 PolarHBondContact O-N 2.93Å; A168-A170 VanDerWaalsContact C-N 3.3Å; A168-A170 PolarHBondContact O-N 3.4Å; A168-V171 PolarHBondContact O-N 3.16Å; A168-V171 VanDerWaalsContact O-N 3.15Å; A168-I172 PolarHBondContact O-N 2.92Å
169R80.6Confident85.5Confident61 Ų6128.2 Ų28.223%0.2316%0.158CC..Iπ-helixtrans-54.4-44.7174.7-170.1-17675.591.4-0.7112.5N33 A167 V171 Q173 L174 L267N33-R169 WeakPolarHBondContact OD1-CA 3.48Å; N33-R169 PolarHBondContact OD1-N 3.01Å; N33-R169 VanDerWaalsContact OD1-N 3.15Å; A167-R169 PolarHBondContact O-N 3.39Å; A167-R169 VanDerWaalsContact O-N 3.17Å; R169-V171 VanDerWaalsContact C-N 3.34Å; R169-Q173 HydrophobicContact CG-CB 4.14Å; R169-Q173 WeakPolarHBondContact O-CB 3.37Å; R169-Q173 PolarHBondContact O-N 3.24Å; R169-L174 PolarHBondContact O-N 3.46Å; R169-L267 VanDerWaalsContact NH2-CD1 3.27Å
170A77.9Confident85.1Confident9 Ų928.2 Ų28.27%0.07416%0.158CC..Iπ-helixtrans-69.8-34-178.900000112.2A167 A168A167-A170 PolarHBondContact O-N 3.36Å; A168-A170 VanDerWaalsContact C-N 3.3Å; A168-A170 PolarHBondContact O-N 3.4Å
171V79.6Confident84.2Confident52 Ų5230 Ų3032%0.31517%0.169SC..Iπ-helixtrans-82.7-39.3-174.6-1790000112.3A167 A168 R169 Y293 I296A167-V171 PolarHBondContact O-N 3.25Å; A168-V171 PolarHBondContact O-N 3.16Å; A168-V171 VanDerWaalsContact O-N 3.15Å; R169-V171 VanDerWaalsContact C-N 3.34Å; V171-Y293 HydrophobicContact CG2-CE1 4.3Å; V171-I296 HydrophobicContact CG2-CD1 3.43Å; V171-I296 VanDerWaalsContact CG2-CD1 3.43Å
172I84.3Confident83.5Confident37 Ų3733 Ų3319%0.1919%0.188CC..Iπ-helixtrans-112.7-55.8-169.2-59.3172.9000110.9N33 A168 L176 L193N33-I172 WeakPolarHBondContact ND2-CB 3.28Å; A168-I172 PolarHBondContact O-N 2.92Å; I172-L176 HydrophobicContact CG2-CD1 3.79Å; I172-L176 WeakPolarHBondContact O-CB 3.43Å; I172-L176 WeakPolarHBondContact O-CD1 3.45Å; I172-L176 VanDerWaalsContact O-CG 3.26Å; I172-L176 WeakPolarHBondContact O-CG 3.07Å; I172-L176 PolarHBondContact O-N 2.87Å; I172-L193 HydrophobicContact CG2-CD2 4.4Å
173Q84.8Confident82.9Confident2 Ų238.1 Ų38.11%0.00922%0.215CC..Iπ-helixtrans-68.7-46.6-170.6-176.5-175.7-30.700112.5N33 D36 V37 R169 L176 A177 I189 L193N33-Q173 HydrophobicContact CB-CB 4.42Å; N33-Q173 PolarHBondContact O-OE1 3.5Å; D36-Q173 VanDerWaalsContact C-NE2 3.31Å; D36-Q173 PolarHBondContact O-NE2 2.8Å; V37-Q173 VanDerWaalsContact CA-NE2 3.32Å; R169-Q173 HydrophobicContact CG-CB 4.14Å; R169-Q173 WeakPolarHBondContact O-CB 3.37Å; R169-Q173 PolarHBondContact O-N 3.24Å; Q173-L176 PolarHBondContact O-N 2.93Å; Q173-A177 WeakPolarHBondContact O-CB 3.48Å; Q173-A177 PolarHBondContact O-N 2.91Å; Q173-I189 HydrophobicContact CG-CD1 4.37Å; Q173-L193 HydrophobicContact CG-CD1 4.25Å
174L82.3Confident82.5Confident49 Ų4942.4 Ų42.426%0.25724%0.241SC..Hα-helixtrans-62.4-46-176.3-72.5-178000113.8R169 A177 G178R169-L174 PolarHBondContact O-N 3.46Å; L174-A177 WeakPolarHBondContact O-CB 3.36Å; L174-A177 PolarHBondContact O-N 2.97Å; L174-G178 PolarHBondContact O-N 3.19Å
175P82.9Confident82.3Confident65 Ų6543 Ų4342%0.42225%0.248SC..Hα-helixtrans-62.8-42.2174.8-25.235.7000113.1G178 W179P175-G178 PolarHBondContact O-N 2.98Å; P175-W179 PolarHBondContact O-N 2.74Å
176L85.6Confident82Confident46 Ų4644.1 Ų44.124%0.24125%0.252CS..Hα-helixtrans-63.2-44.1177.3-72.9174.1000111.3I172 Q173 W179 T180 I192 L193 I196I172-L176 HydrophobicContact CG2-CD1 3.79Å; I172-L176 WeakPolarHBondContact O-CB 3.43Å; I172-L176 WeakPolarHBondContact O-CD1 3.45Å; I172-L176 VanDerWaalsContact O-CG 3.26Å; I172-L176 WeakPolarHBondContact O-CG 3.07Å; I172-L176 PolarHBondContact O-N 2.87Å; Q173-L176 PolarHBondContact O-N 2.93Å; L176-W179 PolarHBondContact O-N 3.41Å; L176-T180 WeakPolarHBondContact O-CG2 3.36Å; L176-T180 PolarHBondContact O-N 3.34Å; L176-T180 PolarHBondContact O-OG1 3.21Å; L176-I192 HydrophobicContact CD1-CG2 4.18Å; L176-I192 HydrophobicContact CD2-CG2 4.43Å; L176-L193 HydrophobicContact CD1-CD2 3.98Å; L176-I196 HydrophobicContact CD1-CD1 4Å
177A81.8Confident82.2Confident3 Ų346.7 Ų46.73%0.02526%0.257CS..Hα-helixtrans-53.2-56173.200000111.2F40 Q173 L174 W179 T180 T181 I189F40-A177 HydrophobicContact CD1-CB 4.21Å; F40-A177 HydrophobicContact CD2-CB 3.45Å; F40-A177 VanDerWaalsContact CD2-CB 3.45Å; F40-A177 HydrophobicContact CE1-CB 4.11Å; F40-A177 HydrophobicContact CE2-CB 3.34Å; F40-A177 HydrophobicContact CG-CB 3.89Å; F40-A177 HydrophobicContact CZ-CB 3.68Å; Q173-A177 WeakPolarHBondContact O-CB 3.48Å; Q173-A177 PolarHBondContact O-N 2.91Å; L174-A177 WeakPolarHBondContact O-CB 3.36Å; L174-A177 PolarHBondContact O-N 2.97Å; A177-W179 VanDerWaalsContact C-N 3.27Å; A177-W179 PolarHBondContact O-N 2.92Å; A177-T180 WeakPolarHBondContact CA-OG1 3.37Å; A177-T180 PolarHBondContact O-N 3.37Å; A177-T180 PolarHBondContact O-OG1 3.3Å; A177-T181 WeakPolarHBondContact O-CG2 3.46Å; A177-T181 PolarHBondContact O-N 3.16Å; A177-T181 PolarHBondContact O-OG1 3.39Å; A177-I189 HydrophobicContact CB-CD1 3.65Å
178G78.1Confident82.5Confident37 Ų3748 Ų4838%0.38127%0.265SS..Hα-helixtrans-58.2-36.1179.900000113.8L174 P175 T181 S182L174-G178 PolarHBondContact O-N 3.19Å; P175-G178 PolarHBondContact O-N 2.98Å; G178-T181 WeakPolarHBondContact CA-OG1 3.37Å; G178-T181 PolarHBondContact O-OG1 3.45Å; G178-S182 PolarHBondContact O-OG 3.12Å; G178-S182 VanDerWaalsContact O-OG 3.04Å
179W83.6Confident83Confident148 Ų14848 Ų4856%0.56127%0.265SS*.Hα-helixtrans-69.7-42.5174.6179.681.5000112.4P175 L176 A177 N183 I192P175-W179 PolarHBondContact O-N 2.74Å; L176-W179 PolarHBondContact O-N 3.41Å; A177-W179 VanDerWaalsContact C-N 3.27Å; A177-W179 PolarHBondContact O-N 2.92Å; W179-N183 PolarHBondContact NE1-ND2 2.88Å; W179-N183 PolarHBondContact O-ND2 3.49Å; W179-I192 HydrophobicContact CZ3-CD1 4.27Å
180T84.3Confident83.7Confident0 Ų045.1 Ų45.10%025%0.254CS..Hα-helixtrans-66.9-42179.254.20000112.5L176 A177 S182 N183 V184 G185 P188 I189 I192L176-T180 WeakPolarHBondContact O-CG2 3.36Å; L176-T180 PolarHBondContact O-N 3.34Å; L176-T180 PolarHBondContact O-OG1 3.21Å; A177-T180 WeakPolarHBondContact CA-OG1 3.37Å; A177-T180 PolarHBondContact O-N 3.37Å; A177-T180 PolarHBondContact O-OG1 3.3Å; T180-S182 VanDerWaalsContact C-N 3.26Å; T180-S182 PolarHBondContact O-N 3.35Å; T180-N183 PolarHBondContact O-N 3.42Å; T180-V184 PolarHBondContact O-N 3.18Å; T180-G185 CarbonylContact C-O 3.42Å; T180-G185 WeakPolarHBondContact CB-O 3.23Å; T180-G185 PolarHBondContact O-N 3.04Å; T180-P188 HydrophobicContact CG2-CB 4.48Å; T180-I189 HydrophobicContact CG2-CB 4.21Å; T180-I192 HydrophobicContact CG2-CD1 4.14Å
181T75.6Confident84.5Confident40 Ų4050.1 Ų50.125%0.24527%0.272CS..Hα-helixtrans-59.8-36.3-179.248.90000113.3F40 Y44 A177 G178F40-T181 HydrophobicContact CE2-CG2 3.46Å; F40-T181 VanDerWaalsContact CE2-CG2 3.46Å; F40-T181 HydrophobicContact CZ-CG2 3.34Å; Y44-T181 HydrophobicContact CD2-CG2 3.29Å; Y44-T181 HydrophobicContact CE2-CG2 3.54Å; Y44-T181 HydrophobicContact CG-CG2 4.3Å; A177-T181 WeakPolarHBondContact O-CG2 3.46Å; A177-T181 PolarHBondContact O-N 3.16Å; A177-T181 PolarHBondContact O-OG1 3.39Å; G178-T181 WeakPolarHBondContact CA-OG1 3.37Å; G178-T181 PolarHBondContact O-OG1 3.45Å
182S76.8Confident85.2Confident95 Ų9550 Ų5066%0.66427%0.269SS*.Hα-helixtrans-80.7-20-173.6-56.90000113.4G178 T180G178-S182 PolarHBondContact O-OG 3.12Å; G178-S182 VanDerWaalsContact O-OG 3.04Å; T180-S182 VanDerWaalsContact C-N 3.26Å; T180-S182 PolarHBondContact O-N 3.35Å
183N80.8Confident85.7Confident107 Ų10748.3 Ų48.357%0.57226%0.261SS*.Hα-helixtrans-120.7-40-169.1-63.2-56.2000113.9W179 T180W179-N183 PolarHBondContact NE1-ND2 2.88Å; W179-N183 PolarHBondContact O-ND2 3.49Å; T180-N183 PolarHBondContact O-N 3.42Å
184V82.1Confident86.3Confident90 Ų9048.6 Ų48.655%0.54526%0.263SS..THydrogen-bonded Turntrans-140.3-1-161.5-124.90000114.1T180 P188T180-V184 PolarHBondContact O-N 3.18Å; V184-P188 HydrophobicContact CB-CG 4.12Å; V184-P188 HydrophobicContact CG1-CG 4.48Å
185G83.5Confident87Confident17 Ų1751.1 Ų51.118%0.17528%0.276CS..  trans85.3-169.3-178.300000113.8T180T180-G185 CarbonylContact C-O 3.42Å; T180-G185 WeakPolarHBondContact CB-O 3.23Å; T180-G185 PolarHBondContact O-N 3.04Å
186W85.3Confident87.6Confident22 Ų2250.6 Ų50.68%0.08327%0.269CS..SBendtrans-83.3-26.8-171.166.2-94.7000114.5F40 Y44 M45 P114 L117 I189 Y190F40-W186 HydrophobicContact CE1-CB 4.31Å; Y44-W186 HydrophobicContact CD1-CB 3.63Å; Y44-W186 AromaticContact CD1-CD1 3.54Å; Y44-W186 AromaticContact CD1-CG 3.9Å; Y44-W186 HydrophobicContact CD1-CG 3.9Å; Y44-W186 HydrophobicContact CE1-CB 4.05Å; Y44-W186 AromaticContact CE1-CD1 3.62Å; Y44-W186 HydrophobicContact CE1-CG 4.23Å; Y44-W186 HydrophobicContact CG-CB 4.06Å; M45-W186 HydrophobicContact CE-CD2 3.95Å; M45-W186 HydrophobicContact CE-CE3 4.33Å; M45-W186 HydrophobicContact CE-CH2 3.59Å; M45-W186 HydrophobicContact CE-CZ2 3.14Å; M45-W186 HydrophobicContact CE-CZ3 4.16Å; P114-W186 HydrophobicContact CB-CH2 4.02Å; P114-W186 HydrophobicContact CB-CZ3 3.99Å; P114-W186 HydrophobicContact CG-CZ3 4.21Å; L117-W186 HydrophobicContact CB-CH2 4.23Å; L117-W186 HydrophobicContact CD1-CH2 3.73Å; L117-W186 HydrophobicContact CD1-CZ3 3.86Å; W186-I189 WeakPolarHBondContact O-CG2 3.48Å; W186-Y190 AromaticContact CE3-CD2 3.98Å; W186-Y190 HydrophobicContact CE3-CD2 3.98Å; W186-Y190 AromaticContact CE3-CE2 3.47Å; W186-Y190 HydrophobicContact CE3-CE2 3.47Å; W186-Y190 VanDerWaalsContact CE3-CE2 3.47Å; W186-Y190 AromaticContact CZ3-CD2 3.95Å; W186-Y190 HydrophobicContact CZ3-CD2 3.95Å; W186-Y190 AromaticContact CZ3-CE2 3.45Å; W186-Y190 HydrophobicContact CZ3-CE2 3.45Å; W186-Y190 VanDerWaalsContact CZ3-CE2 3.45Å
187R89.8Confident88.2Confident94 Ų9448.4 Ų48.436%0.35526%0.257SS..THydrogen-bonded Turntrans-62-42.6-171.9-56.8174.3-179.5-136.5-10.1113.8Y61 P114 D118 I189 Y190Y61-R187 PolarHBondContact OH-NH2 3.26Å; Y61-R187 VanDerWaalsContact OH-NH2 3.08Å; P114-R187 HydrophobicContact CB-CB 4.46Å; P114-R187 HydrophobicContact CB-CG 4.42Å; D118-R187 IonicContact OD1-CZ 3.07Å; D118-R187 IonicContact OD1-NH2 2.8Å; D118-R187 PolarHBondContact OD1-NH2 2.97Å; D118-R187 IonicContact OD2-CZ 3.69Å; D118-R187 IonicContact OD2-NH1 2.71Å; D118-R187 PolarHBondContact OD2-NH1 3.44Å; D118-R187 IonicContact OD2-NH2 3.61Å; D118-R187 PolarHBondContact OD2-NH2 3.22Å; R187-I189 PolarHBondContact O-N 3.26Å; R187-I189 VanDerWaalsContact O-N 3.14Å; R187-Y190 PolarHBondContact O-N 2.94Å
188P92Very high88.9Confident35 Ų3553.2 Ų53.223%0.22728%0.278CS..Hα-helixtrans-61.6-25.9-174.5-30.442.4000115.1T180 V184 Y190 Y191 I192T180-P188 HydrophobicContact CG2-CB 4.48Å; V184-P188 HydrophobicContact CB-CG 4.12Å; V184-P188 HydrophobicContact CG1-CG 4.48Å; P188-Y190 PolarHBondContact O-N 3.47Å; P188-Y191 PolarHBondContact O-N 3.41Å; P188-I192 WeakPolarHBondContact O-CG1 3.33Å; P188-I192 PolarHBondContact O-N 2.94Å
189I91.8Very high89.8Confident0 Ų055.8 Ų55.80%028%0.281CS..Hα-helixtrans-60.2-34.1179.6-157.3-176.7000111.9V37 F40 Q173 A177 T180 W186 R187 I192 L193V37-I189 HydrophobicContact CG2-CB 4.49Å; V37-I189 HydrophobicContact CG2-CD1 4.24Å; V37-I189 HydrophobicContact CG2-CG1 4.37Å; V37-I189 HydrophobicContact CG2-CG2 3.44Å; V37-I189 VanDerWaalsContact CG2-CG2 3.44Å; F40-I189 HydrophobicContact CD1-CD1 3.71Å; F40-I189 HydrophobicContact CD1-CG2 4.05Å; F40-I189 HydrophobicContact CE1-CB 4.36Å; F40-I189 HydrophobicContact CE1-CD1 3.73Å; F40-I189 HydrophobicContact CE1-CG2 3.85Å; F40-I189 HydrophobicContact CG-CD1 4.42Å; F40-I189 HydrophobicContact CZ-CD1 4.45Å; Q173-I189 HydrophobicContact CG-CD1 4.37Å; A177-I189 HydrophobicContact CB-CD1 3.65Å; T180-I189 HydrophobicContact CG2-CB 4.21Å; W186-I189 WeakPolarHBondContact O-CG2 3.48Å; R187-I189 PolarHBondContact O-N 3.26Å; R187-I189 VanDerWaalsContact O-N 3.14Å; I189-I192 PolarHBondContact O-N 2.88Å; I189-L193 HydrophobicContact CD1-CD1 4.34Å; I189-L193 HydrophobicContact CG1-CD1 4.02Å; I189-L193 HydrophobicContact CG1-CG 4.28Å; I189-L193 WeakPolarHBondContact O-CB 3.22Å; I189-L193 VanDerWaalsContact O-CG 3.29Å; I189-L193 WeakPolarHBondContact O-CG 3.45Å; I189-L193 PolarHBondContact O-N 3.18Å
190Y94.3Very high90.4Very high0 Ų049.5 Ų49.50%026%0.26CS..Hα-helixtrans-64.9-44.4179.5-75.8-94.8000111.2V37 F38 S41 T110 M113 P114 W186 R187 P188 S194V37-Y190 HydrophobicContact CB-CE1 4.37Å; V37-Y190 HydrophobicContact CG1-CD1 3.7Å; V37-Y190 HydrophobicContact CG1-CE1 3.33Å; V37-Y190 HydrophobicContact CG2-CD1 4.24Å; V37-Y190 HydrophobicContact CG2-CD2 4.23Å; V37-Y190 HydrophobicContact CG2-CE1 4.14Å; V37-Y190 HydrophobicContact CG2-CE2 4.06Å; V37-Y190 HydrophobicContact CG2-CG 4.31Å; F38-Y190 WeakPolarHBondContact CA-OH 3.27Å; S41-Y190 WeakPolarHBondContact CB-OH 3.48Å; S41-Y190 WeakPolarHBondContact OG-CE2 3.28Å; S41-Y190 VanDerWaalsContact OG-CZ 3.31Å; S41-Y190 PolarHBondContact OG-OH 2.98Å; T110-Y190 HydrophobicContact CG2-CD1 3.9Å; T110-Y190 WeakPolarHBondContact O-CD1 3.3Å; M113-Y190 HydrophobicContact CB-CD1 3.75Å; M113-Y190 HydrophobicContact CB-CE1 3.65Å; M113-Y190 HydrophobicContact CG-CD1 4.18Å; M113-Y190 HydrophobicContact CG-CE1 3.53Å; P114-Y190 HydrophobicContact CG-CD1 4.25Å; P114-Y190 HydrophobicContact CG-CD2 3.75Å; P114-Y190 HydrophobicContact CG-CE2 4.47Å; P114-Y190 HydrophobicContact CG-CG 3.62Å; W186-Y190 AromaticContact CE3-CD2 3.98Å; W186-Y190 HydrophobicContact CE3-CD2 3.98Å; W186-Y190 AromaticContact CE3-CE2 3.47Å; W186-Y190 HydrophobicContact CE3-CE2 3.47Å; W186-Y190 VanDerWaalsContact CE3-CE2 3.47Å; W186-Y190 AromaticContact CZ3-CD2 3.95Å; W186-Y190 HydrophobicContact CZ3-CD2 3.95Å; W186-Y190 AromaticContact CZ3-CE2 3.45Å; W186-Y190 HydrophobicContact CZ3-CE2 3.45Å; W186-Y190 VanDerWaalsContact CZ3-CE2 3.45Å; R187-Y190 PolarHBondContact O-N 2.94Å; P188-Y190 PolarHBondContact O-N 3.47Å; Y190-S194 VanDerWaalsContact O-CB 3.25Å; Y190-S194 WeakPolarHBondContact O-CB 3.37Å; Y190-S194 PolarHBondContact O-N 3.26Å; Y190-S194 PolarHBondContact O-OG 2.98Å
191Y95.4Very high91Very high114 Ų11449.6 Ų49.645%0.44726%0.261SS..Hα-helixtrans-67.9-43178.4-56.6-63.3000111.3A111 P188 S194 I195A111-Y191 HydrophobicContact CB-CD1 4.31Å; A111-Y191 WeakPolarHBondContact O-CE1 3.37Å; P188-Y191 PolarHBondContact O-N 3.41Å; Y191-S194 PolarHBondContact O-N 2.94Å; Y191-I195 VanDerWaalsContact O-CG1 3.27Å; Y191-I195 WeakPolarHBondContact O-CG1 3.32Å; Y191-I195 PolarHBondContact O-N 3.01Å
192I94.9Very high92Very high49 Ų4951.1 Ų51.125%0.25127%0.267SS..Hα-helixtrans-60.4-50.3178-66.2167.1000110.6L176 W179 T180 P188 I189 S194 I195 I196L176-I192 HydrophobicContact CD1-CG2 4.18Å; L176-I192 HydrophobicContact CD2-CG2 4.43Å; W179-I192 HydrophobicContact CZ3-CD1 4.27Å; T180-I192 HydrophobicContact CG2-CD1 4.14Å; P188-I192 WeakPolarHBondContact O-CG1 3.33Å; P188-I192 PolarHBondContact O-N 2.94Å; I189-I192 PolarHBondContact O-N 2.88Å; I192-S194 VanDerWaalsContact C-N 3.34Å; I192-S194 PolarHBondContact O-N 3.26Å; I192-I195 PolarHBondContact O-N 3.14Å; I192-I196 HydrophobicContact CG2-CD1 3.88Å; I192-I196 WeakPolarHBondContact O-CG1 3.41Å; I192-I196 PolarHBondContact O-N 3.36Å
193L95.1Very high92.9Very high2 Ų249.9 Ų49.91%0.0125%0.252CS..Hα-helixtrans-65.5-37.6180-68.4176.4000112.1N33 C34 V37 I172 Q173 L176 I189 I195 I196 L197N33-L193 HydrophobicContact CB-CD1 4.45Å; N33-L193 HydrophobicContact CB-CD2 4.06Å; C34-L193 PolarHBondContact SG-O 3.18Å; C34-L193 VanDerWaalsContact SG-O 3.4Å; V37-L193 HydrophobicContact CB-CD1 3.78Å; V37-L193 HydrophobicContact CG2-CD1 3.64Å; I172-L193 HydrophobicContact CG2-CD2 4.4Å; Q173-L193 HydrophobicContact CG-CD1 4.25Å; L176-L193 HydrophobicContact CD1-CD2 3.98Å; I189-L193 HydrophobicContact CD1-CD1 4.34Å; I189-L193 HydrophobicContact CG1-CD1 4.02Å; I189-L193 HydrophobicContact CG1-CG 4.28Å; I189-L193 WeakPolarHBondContact O-CB 3.22Å; I189-L193 VanDerWaalsContact O-CG 3.29Å; I189-L193 WeakPolarHBondContact O-CG 3.45Å; I189-L193 PolarHBondContact O-N 3.18Å; L193-I195 PolarHBondContact O-N 3.05Å; L193-I196 HydrophobicContact CD2-CD1 4.41Å; L193-I196 PolarHBondContact O-N 2.78Å; L193-L197 WeakPolarHBondContact O-CB 3.3Å; L193-L197 PolarHBondContact O-N 3.36Å
194S96.3Very high93.7Very high8 Ų844.9 Ų44.96%0.05623%0.225CC..Hα-helixtrans-64.2-39.9176.1-58.80000112.1A107 T110 A111 Y190 Y191 I192 L197 F198A107-S194 WeakPolarHBondContact O-CB 3.17Å; A107-S194 PolarHBondContact O-OG 3.28Å; T110-S194 WeakPolarHBondContact CB-OG 3.32Å; A111-S194 PolarHBondContact N-OG 3.45Å; A111-S194 VanDerWaalsContact N-OG 3.14Å; Y190-S194 VanDerWaalsContact O-CB 3.25Å; Y190-S194 WeakPolarHBondContact O-CB 3.37Å; Y190-S194 PolarHBondContact O-N 3.26Å; Y190-S194 PolarHBondContact O-OG 2.98Å; Y191-S194 PolarHBondContact O-N 2.94Å; I192-S194 VanDerWaalsContact C-N 3.34Å; I192-S194 PolarHBondContact O-N 3.26Å; S194-L197 PolarHBondContact O-N 3.21Å; S194-F198 WeakPolarHBondContact O-CB 3.42Å; S194-F198 PolarHBondContact O-N 3.32Å
195I96.9Very high94.3Very high102 Ų10243.9 Ų43.952%0.52321%0.214SC..Hα-helixtrans-65.4-44.4174.4-69.1164.8000110.5Y191 I192 L193 L197 F198 I199Y191-I195 VanDerWaalsContact O-CG1 3.27Å; Y191-I195 WeakPolarHBondContact O-CG1 3.32Å; Y191-I195 PolarHBondContact O-N 3.01Å; I192-I195 PolarHBondContact O-N 3.14Å; L193-I195 PolarHBondContact O-N 3.05Å; I195-L197 VanDerWaalsContact C-N 3.33Å; I195-L197 PolarHBondContact O-N 3.21Å; I195-F198 PolarHBondContact O-N 2.8Å; I195-I199 HydrophobicContact CG2-CD1 3.71Å; I195-I199 HydrophobicContact CG2-CG1 4.38Å; I195-I199 VanDerWaalsContact O-CG1 3.32Å; I195-I199 WeakPolarHBondContact O-CG1 3.25Å; I195-I199 PolarHBondContact O-N 2.96Å
196I96Very high94.8Very high54 Ų5447.9 Ų47.928%0.27723%0.23SC..Hα-helixtrans-58.7-46.5176.1-69.8167.3000110.3L176 I192 L193 I199 S200L176-I196 HydrophobicContact CD1-CD1 4Å; I192-I196 HydrophobicContact CG2-CD1 3.88Å; I192-I196 WeakPolarHBondContact O-CG1 3.41Å; I192-I196 PolarHBondContact O-N 3.36Å; L193-I196 HydrophobicContact CD2-CD1 4.41Å; L193-I196 PolarHBondContact O-N 2.78Å; I196-I199 PolarHBondContact O-N 3.25Å; I196-S200 VanDerWaalsContact O-CB 3.27Å; I196-S200 WeakPolarHBondContact O-CB 3.47Å; I196-S200 PolarHBondContact O-N 3.06Å
197L97Very high95.1Very high0 Ų050.4 Ų50.40%024%0.242CC..Hα-helixtrans-62.5-44177.217756.7000111.7V31 C34 S103 C106 A107 L193 S194 I195 S200 T201V31-L197 HydrophobicContact CB-CD1 4.36Å; V31-L197 HydrophobicContact CG2-CD1 3.56Å; C34-L197 HydrophobicContact CB-CD2 4.03Å; C34-L197 VanDerWaalsContact SG-CD2 3.55Å; S103-L197 WeakPolarHBondContact O-CD2 3.31Å; C106-L197 HydrophobicContact CB-CD2 4.14Å; A107-L197 HydrophobicContact CB-CB 4.33Å; A107-L197 HydrophobicContact CB-CD2 3.92Å; A107-L197 HydrophobicContact CB-CG 4.08Å; L193-L197 WeakPolarHBondContact O-CB 3.3Å; L193-L197 PolarHBondContact O-N 3.36Å; S194-L197 PolarHBondContact O-N 3.21Å; I195-L197 VanDerWaalsContact C-N 3.33Å; I195-L197 PolarHBondContact O-N 3.21Å; L197-S200 PolarHBondContact O-N 3.38Å; L197-T201 VanDerWaalsContact O-CB 3.26Å; L197-T201 WeakPolarHBondContact O-CB 3.28Å; L197-T201 PolarHBondContact O-N 3.01Å; L197-T201 PolarHBondContact O-OG1 3.23Å
198F97.3Very high95.3Very high104 Ų10446 Ų4646%0.45623%0.226SC..Hα-helixtrans-60-48.6177.8-173.9-98.5000111.8L104 S194 I195 T201 I202L104-F198 HydrophobicContact CD2-CD2 3.5Å; L104-F198 VanDerWaalsContact CD2-CD2 3.5Å; L104-F198 HydrophobicContact CD2-CE2 3.6Å; L104-F198 HydrophobicContact CD2-CG 4.49Å; S194-F198 WeakPolarHBondContact O-CB 3.42Å; S194-F198 PolarHBondContact O-N 3.32Å; I195-F198 PolarHBondContact O-N 2.8Å; F198-T201 PolarHBondContact O-N 3.09Å; F198-I202 HydrophobicContact CD1-CD1 3.76Å; F198-I202 HydrophobicContact CE1-CD1 3.32Å; F198-I202 HydrophobicContact CE1-CG1 4.46Å; F198-I202 HydrophobicContact CZ-CD1 3.78Å; F198-I202 WeakPolarHBondContact O-CG1 3.35Å; F198-I202 PolarHBondContact O-N 3.1Å
199I97.1Very high95.3Very high90 Ų9046.8 Ų46.846%0.46222%0.224SC..Hα-helixtrans-63.3-48.1178.3-66.9169.4000110.8I195 I196 T201 I202 I203I195-I199 HydrophobicContact CG2-CD1 3.71Å; I195-I199 HydrophobicContact CG2-CG1 4.38Å; I195-I199 VanDerWaalsContact O-CG1 3.32Å; I195-I199 WeakPolarHBondContact O-CG1 3.25Å; I195-I199 PolarHBondContact O-N 2.96Å; I196-I199 PolarHBondContact O-N 3.25Å; I199-T201 PolarHBondContact O-N 2.92Å; I199-I202 PolarHBondContact O-N 3.2Å; I199-I203 HydrophobicContact CG2-CD1 3.82Å; I199-I203 HydrophobicContact CG2-CG1 4.48Å; I199-I203 WeakPolarHBondContact O-CG1 3.5Å; I199-I203 PolarHBondContact O-N 3.42Å
200S96.7Very high95.1Very high17 Ų1748.6 Ų48.612%0.11923%0.233CC..Hα-helixtrans-57-41.7177.1179.60000111Q27 I196 L197 I202 I203 W204Q27-S200 WeakPolarHBondContact CA-OG 3.21Å; Q27-S200 PolarHBondContact OE1-O 2.99Å; Q27-S200 PolarHBondContact OE1-OG 3.16Å; I196-S200 VanDerWaalsContact O-CB 3.27Å; I196-S200 WeakPolarHBondContact O-CB 3.47Å; I196-S200 PolarHBondContact O-N 3.06Å; L197-S200 PolarHBondContact O-N 3.38Å; S200-I202 PolarHBondContact O-N 3.42Å; S200-I203 PolarHBondContact O-N 2.57Å; S200-W204 VanDerWaalsContact O-CB 3.28Å; S200-W204 WeakPolarHBondContact O-CB 3.29Å; S200-W204 PolarHBondContact O-N 2.96Å
201T97.1Very high94.8Very high1 Ų150 Ų501%0.00624%0.241CC..Hα-helixtrans-65.7-41.1-178.7-57.60000111.8Q27 T100 S103 L104 L197 F198 I199 W204 F205Q27-T201 PolarHBondContact NE2-OG1 3.15Å; T100-T201 HydrophobicContact CG2-CG2 3.95Å; S103-T201 VanDerWaalsContact CB-OG1 3.27Å; S103-T201 WeakPolarHBondContact CB-OG1 3.18Å; L104-T201 HydrophobicContact CD2-CG2 4Å; L104-T201 HydrophobicContact CG-CG2 3.92Å; L197-T201 VanDerWaalsContact O-CB 3.26Å; L197-T201 WeakPolarHBondContact O-CB 3.28Å; L197-T201 PolarHBondContact O-N 3.01Å; L197-T201 PolarHBondContact O-OG1 3.23Å; F198-T201 PolarHBondContact O-N 3.09Å; I199-T201 PolarHBondContact O-N 2.92Å; T201-W204 PolarHBondContact O-N 2.48Å; T201-F205 VanDerWaalsContact O-CB 3.31Å; T201-F205 WeakPolarHBondContact O-CB 3.39Å; T201-F205 PolarHBondContact O-N 3.21Å
202I96.7Very high94.4Very high73 Ų7345.1 Ų45.137%0.37422%0.223SC..Hα-helixtrans-63.6-48.5175.6-69.4170.9000110.3F198 I199 S200 W204 F205 L206F198-I202 HydrophobicContact CD1-CD1 3.76Å; F198-I202 HydrophobicContact CE1-CD1 3.32Å; F198-I202 HydrophobicContact CE1-CG1 4.46Å; F198-I202 HydrophobicContact CZ-CD1 3.78Å; F198-I202 WeakPolarHBondContact O-CG1 3.35Å; F198-I202 PolarHBondContact O-N 3.1Å; I199-I202 PolarHBondContact O-N 3.2Å; S200-I202 PolarHBondContact O-N 3.42Å; I202-W204 VanDerWaalsContact C-N 3.33Å; I202-W204 PolarHBondContact O-N 3.2Å; I202-F205 PolarHBondContact O-N 3.47Å; I202-L206 HydrophobicContact CG2-CD1 3.9Å; I202-L206 HydrophobicContact CG2-CG 4.4Å; I202-L206 VanDerWaalsContact O-CG 3.27Å; I202-L206 WeakPolarHBondContact O-CG 3.36Å; I202-L206 PolarHBondContact O-N 3.13Å
203I95.9Very high93.9Very high69 Ų6946.4 Ų46.435%0.35423%0.228SC..Hα-helixtrans-59-49178.5-65.8170.1000109.5L23 I199 S200 F205 L206 F207L23-I203 HydrophobicContact CD2-CG2 3.76Å; I199-I203 HydrophobicContact CG2-CD1 3.82Å; I199-I203 HydrophobicContact CG2-CG1 4.48Å; I199-I203 WeakPolarHBondContact O-CG1 3.5Å; I199-I203 PolarHBondContact O-N 3.42Å; S200-I203 PolarHBondContact O-N 2.57Å; I203-F205 PolarHBondContact O-N 2.54Å; I203-L206 PolarHBondContact O-N 2.84Å; I203-F207 HydrophobicContact CG2-CD2 3.94Å; I203-F207 HydrophobicContact CG2-CE2 4.3Å; I203-F207 VanDerWaalsContact O-CD2 3.31Å; I203-F207 WeakPolarHBondContact O-CD2 3.48Å; I203-F207 PolarHBondContact O-N 2.92Å
204W95.9Very high93.5Very high1 Ų151.2 Ų51.20%0.00425%0.254CS..Hα-helixtrans-60.6-45.5179.6-173.386.6000111.8T24 Q27 P95 R96 L99 S200 T201 I202 L206 F207 Y208T24-W204 PolarHBondContact OG1-NE1 2.85Å; Q27-W204 HydrophobicContact CB-CB 4.25Å; Q27-W204 HydrophobicContact CB-CG 4.04Å; Q27-W204 HydrophobicContact CG-CB 4.25Å; Q27-W204 HydrophobicContact CG-CD2 4.27Å; Q27-W204 HydrophobicContact CG-CG 4.02Å; P95-W204 WeakPolarHBondContact O-CH2 3.44Å; R96-W204 HydrophobicContact CB-CH2 4.42Å; R96-W204 HydrophobicContact CG-CZ3 4.45Å; R96-W204 VanDerWaalsContact O-CZ3 3.24Å; R96-W204 WeakPolarHBondContact O-CZ3 3.41Å; L99-W204 HydrophobicContact CB-CH2 3.65Å; L99-W204 HydrophobicContact CB-CZ3 3.75Å; L99-W204 HydrophobicContact CD2-CD2 4.28Å; L99-W204 HydrophobicContact CD2-CE3 4.27Å; L99-W204 HydrophobicContact CD2-CH2 3.55Å; L99-W204 HydrophobicContact CD2-CZ2 3.62Å; L99-W204 HydrophobicContact CD2-CZ3 3.9Å; L99-W204 HydrophobicContact CG-CH2 4.12Å; L99-W204 HydrophobicContact CG-CZ3 4.15Å; S200-W204 VanDerWaalsContact O-CB 3.28Å; S200-W204 WeakPolarHBondContact O-CB 3.29Å; S200-W204 PolarHBondContact O-N 2.96Å; T201-W204 PolarHBondContact O-N 2.48Å; I202-W204 VanDerWaalsContact C-N 3.33Å; I202-W204 PolarHBondContact O-N 3.2Å; W204-L206 VanDerWaalsContact C-N 3.32Å; W204-L206 PolarHBondContact O-N 3.21Å; W204-F207 PolarHBondContact O-N 2.74Å; W204-Y208 HydrophobicContact CD2-CD1 4.47Å; W204-Y208 HydrophobicContact CD2-CG 4.36Å; W204-Y208 AromaticContact CE2-CD1 3.72Å; W204-Y208 AromaticContact CE2-CG 3.61Å; W204-Y208 AromaticContact CH2-CD1 3.64Å; W204-Y208 HydrophobicContact CH2-CD1 3.64Å; W204-Y208 HydrophobicContact CH2-CE1 4.01Å; W204-Y208 HydrophobicContact CH2-CG 4.37Å; W204-Y208 AromaticContact CZ2-CD1 3.23Å; W204-Y208 HydrophobicContact CZ2-CD1 3.23Å; W204-Y208 HydrophobicContact CZ2-CD2 4.27Å; W204-Y208 AromaticContact CZ2-CE1 3.62Å; W204-Y208 HydrophobicContact CZ2-CE1 3.62Å; W204-Y208 AromaticContact CZ2-CG 3.61Å; W204-Y208 HydrophobicContact CZ2-CG 3.61Å; W204-Y208 HydrophobicContact CZ3-CD1 4.37Å; W204-Y208 AromaticContact NE1-CG 3.76Å; W204-Y208 WeakPolarHBondContact O-CB 3.35Å; W204-Y208 PolarHBondContact O-N 2.72Å
205F95.2Very high93Very high70 Ų7051.5 Ų51.531%0.30725%0.254SS..Hα-helixtrans-59.6-40.2176.7178-102.1000112.8R96 L97 T100 T201 I202 I203 R209R96-F205 HydrophobicContact CG-CD2 4.2Å; R96-F205 VanDerWaalsContact CZ-O 3.24Å; R96-F205 PolarHBondContact NE-O 3.31Å; R96-F205 PolarHBondContact NH2-O 3.07Å; L97-F205 HydrophobicContact CD2-CE2 4.03Å; T100-F205 HydrophobicContact CG2-CB 4.19Å; T100-F205 HydrophobicContact CG2-CD2 3.91Å; T100-F205 HydrophobicContact CG2-CG 4.21Å; T100-F205 WeakPolarHBondContact OG1-CD2 3.21Å; T201-F205 VanDerWaalsContact O-CB 3.31Å; T201-F205 WeakPolarHBondContact O-CB 3.39Å; T201-F205 PolarHBondContact O-N 3.21Å; I202-F205 PolarHBondContact O-N 3.47Å; I203-F205 PolarHBondContact O-N 2.54Å; F205-R209 PolarHBondContact O-NH1 2.87Å
206L93.3Very high92.3Very high100 Ų10050.7 Ų50.752%0.52426%0.257SS..Hα-helixtrans-70.1-41.4-178.9-69.9175000112.1I202 I203 W204 R209I202-L206 HydrophobicContact CG2-CD1 3.9Å; I202-L206 HydrophobicContact CG2-CG 4.4Å; I202-L206 VanDerWaalsContact O-CG 3.27Å; I202-L206 WeakPolarHBondContact O-CG 3.36Å; I202-L206 PolarHBondContact O-N 3.13Å; I203-L206 PolarHBondContact O-N 2.84Å; W204-L206 VanDerWaalsContact C-N 3.32Å; W204-L206 PolarHBondContact O-N 3.21Å; L206-R209 PolarHBondContact O-NH1 3.47Å; L206-R209 PolarHBondContact O-NH2 3.28Å; L206-R209 VanDerWaalsContact O-NH2 3.13Å
207F91.9Very high91.7Very high76 Ų7650.3 Ų50.333%0.33326%0.255SS..Hα-helixtrans-91.8-43-173.6-78.1-91.6000114W8 L23 I203 W204 H215W8-F207 HydrophobicContact CZ2-CE1 4.34Å; W8-F207 HydrophobicContact CZ2-CZ 4.43Å; L23-F207 HydrophobicContact CD1-CB 3.66Å; L23-F207 HydrophobicContact CD1-CG 4.13Å; I203-F207 HydrophobicContact CG2-CD2 3.94Å; I203-F207 HydrophobicContact CG2-CE2 4.3Å; I203-F207 VanDerWaalsContact O-CD2 3.31Å; I203-F207 WeakPolarHBondContact O-CD2 3.48Å; I203-F207 PolarHBondContact O-N 2.92Å; W204-F207 PolarHBondContact O-N 2.74Å; F207-H215 PolarHBondContact O-CD2 3.38Å; F207-H215 PolarHBondContact O-NE2 3.44Å
208Y93.6Very high91.1Very high2 Ų251.7 Ų51.71%0.00826%0.262CS..  trans-69.2142-175.8-178.6-103.8000112.3I20 P95 R96 V145 W149 W204 D210I20-Y208 HydrophobicContact CD1-CD2 4.34Å; I20-Y208 HydrophobicContact CG2-CD2 3.71Å; I20-Y208 HydrophobicContact CG2-CE2 3.86Å; P95-Y208 HydrophobicContact CB-CE1 4.5Å; P95-Y208 HydrophobicContact CG-CE1 4.04Å; R96-Y208 HydrophobicContact CB-CD1 3.86Å; R96-Y208 HydrophobicContact CB-CE1 4.09Å; R96-Y208 VanDerWaalsContact CD-O 3.24Å; R96-Y208 WeakPolarHBondContact CD-O 3.13Å; R96-Y208 HydrophobicContact CG-CD1 4.17Å; R96-Y208 PolarHBondContact NE-O 2.93Å; R96-Y208 VanDerWaalsContact NE-O 3.12Å; V145-Y208 HydrophobicContact CG2-CE2 3.77Å; V145-Y208 WeakPolarHBondContact CG2-OH 3.36Å; W149-Y208 AromaticContact NE1-CE2 3.78Å; W204-Y208 HydrophobicContact CD2-CD1 4.47Å; W204-Y208 HydrophobicContact CD2-CG 4.36Å; W204-Y208 AromaticContact CE2-CD1 3.72Å; W204-Y208 AromaticContact CE2-CG 3.61Å; W204-Y208 AromaticContact CH2-CD1 3.64Å; W204-Y208 HydrophobicContact CH2-CD1 3.64Å; W204-Y208 HydrophobicContact CH2-CE1 4.01Å; W204-Y208 HydrophobicContact CH2-CG 4.37Å; W204-Y208 AromaticContact CZ2-CD1 3.23Å; W204-Y208 HydrophobicContact CZ2-CD1 3.23Å; W204-Y208 HydrophobicContact CZ2-CD2 4.27Å; W204-Y208 AromaticContact CZ2-CE1 3.62Å; W204-Y208 HydrophobicContact CZ2-CE1 3.62Å; W204-Y208 AromaticContact CZ2-CG 3.61Å; W204-Y208 HydrophobicContact CZ2-CG 3.61Å; W204-Y208 HydrophobicContact CZ3-CD1 4.37Å; W204-Y208 AromaticContact NE1-CG 3.76Å; W204-Y208 WeakPolarHBondContact O-CB 3.35Å; W204-Y208 PolarHBondContact O-N 2.72Å; Y208-D210 WeakPolarHBondContact CE1-OD1 3.46Å
209R91.9Very high90.5Very high50 Ų5048.7 Ų48.719%0.18925%0.252CS..  trans-132.2140.2172.4-64.7-65.8178.5-84.3-2.3108.6W149 F205 L206 D214 H215W149-R209 HydrophobicContact CZ2-CB 4.36Å; W149-R209 VanDerWaalsContact CZ2-O 3.24Å; W149-R209 WeakPolarHBondContact CZ2-O 3.47Å; W149-R209 PolarHBondContact NE1-O 3.32Å; F205-R209 PolarHBondContact O-NH1 2.87Å; L206-R209 PolarHBondContact O-NH1 3.47Å; L206-R209 PolarHBondContact O-NH2 3.28Å; L206-R209 VanDerWaalsContact O-NH2 3.13Å; R209-D214 HydrophobicContact CB-CB 4.49Å; R209-H215 HydrophobicContact CB-CB 4.42Å; R209-H215 HydrophobicContact CG-CB 4.31Å
210D89.3Confident89.8Confident38 Ų3851.7 Ų51.720%0.20326%0.264CS..SBendtrans-64.4-45.1-178.1-64.3-34.6000110.8P95 R96 Y208P95-D210 WeakPolarHBondContact CD-OD1 3.46Å; P95-D210 VanDerWaalsContact CG-OD1 3.24Å; P95-D210 WeakPolarHBondContact CG-OD1 3.16Å; R96-D210 WeakPolarHBondContact CB-OD1 3.37Å; R96-D210 PolarHBondContact N-OD1 2.82Å; Y208-D210 WeakPolarHBondContact CE1-OD1 3.46Å
211D87.5Confident89.1Confident30 Ų3056.6 Ų56.616%0.1629%0.285CS..SBendtrans-101.2129.6176.4-69.7-62.1000110.6K148 E213 D214K148-D211 IonicContact NZ-OD1 3.89Å; K148-D211 PolarHBondContact NZ-OD1 3.13Å; D211-E213 PolarHBondContact O-N 3.31Å; D211-D214 PolarHBondContact O-N 2.97Å
212P86.1Confident88.4Confident11 Ų1156.7 Ų56.77%0.07129%0.285CS..G310 helixtrans-58.6-30.1179.1-23.330.8000113.6K148 W149 D214 H215 M218 L223K148-P212 WeakPolarHBondContact O-CG 3.41Å; W149-P212 HydrophobicContact CD2-CB 4.47Å; W149-P212 HydrophobicContact CD2-CG 4.13Å; W149-P212 HydrophobicContact CG-CG 4.35Å; W149-P212 HydrophobicContact CH2-CB 4.43Å; W149-P212 HydrophobicContact CZ2-CB 4.34Å; W149-P212 HydrophobicContact CZ2-CG 4.48Å; P212-D214 VanDerWaalsContact C-N 3.26Å; P212-D214 PolarHBondContact O-N 2.88Å; P212-H215 WeakPolarHBondContact O-CB 3.46Å; P212-H215 PolarHBondContact O-N 2.69Å; P212-M218 HydrophobicContact CB-CE 3.62Å; P212-M218 WeakPolarHBondContact O-CB 3.3Å; P212-M218 WeakPolarHBondContact O-CE 3.44Å; P212-M218 WeakPolarHBondContact O-CG 3.31Å; P212-L223 HydrophobicContact CB-CD1 4.04Å
213E85.5Confident87.8Confident76 Ų7654.8 Ų54.836%0.35528%0.275SS..G310 helixtrans-62.3-31.9179.3-63.4-178.3-179.200113.1D211 H215 L223 G229 K231D211-E213 PolarHBondContact O-N 3.31Å; E213-H215 PolarHBondContact O-N 3.41Å; E213-L223 HydrophobicContact CG-CD1 3.98Å; E213-L223 HydrophobicContact CG-CD2 4.17Å; E213-G229 WeakPolarHBondContact OE1-CA 3.34Å; E213-K231 WeakPolarHBondContact OE2-CE 3.24Å; E213-K231 IonicContact OE2-NZ 3.85Å
214D85.6Confident87.2Confident103 Ų10358.5 Ų58.555%0.55129%0.291SS*.G310 helixtrans-80.1-7.8-178-66.5-26.3000112.3R209 D211 P212R209-D214 HydrophobicContact CB-CB 4.49Å; D211-D214 PolarHBondContact O-N 2.97Å; P212-D214 VanDerWaalsContact C-N 3.26Å; P212-D214 PolarHBondContact O-N 2.88Å
215H85.9Confident86.5Confident14 Ų1462.4 Ų62.47%0.06531%0.309CS..  trans-83.9120.9-174.9-167.2-76.1000111.6I16 W149 F207 R209 P212 E213 L217 M218I16-H215 VanDerWaalsContact CG1-CE1 3.49Å; I16-H215 WeakPolarHBondContact CG1-CE1 3.49Å; W149-H215 HydrophobicContact CH2-CB 3.73Å; W149-H215 AromaticContact CH2-CD2 3.77Å; W149-H215 AromaticContact CH2-CG 3.79Å; W149-H215 HydrophobicContact CZ2-CB 4.39Å; F207-H215 PolarHBondContact O-CD2 3.38Å; F207-H215 PolarHBondContact O-NE2 3.44Å; R209-H215 HydrophobicContact CB-CB 4.42Å; R209-H215 HydrophobicContact CG-CB 4.31Å; P212-H215 WeakPolarHBondContact O-CB 3.46Å; P212-H215 PolarHBondContact O-N 2.69Å; E213-H215 PolarHBondContact O-N 3.41Å; H215-L217 VanDerWaalsContact C-N 3.26Å; H215-L217 PolarHBondContact ND1-N 2.92Å; H215-L217 PolarHBondContact O-N 3.44Å; H215-L217 VanDerWaalsContact O-N 3.13Å; H215-M218 HydrophobicContact CB-CB 4.3Å; H215-M218 WeakPolarHBondContact O-CB 3.21Å; H215-M218 PolarHBondContact O-N 3.28Å
216C81.8Confident85.9Confident86 Ų8660.1 Ų60.158%0.58130%0.3SS*.THydrogen-bonded Turntrans-66.1-22.5-170.7-55.10000115.3C3C3-C216 HydrophobicContact CB-CB 4.23Å; C3-C216 WeakPolarHBondContact CB-SG 3.28Å; C3-C216 VanDerWaalsContact SG-SG 3.7Å
217L84.3Confident84.8Confident45 Ų4557.9 Ų57.924%0.23630%0.301CS..THydrogen-bonded Turntrans-92.43.7174.9-56.9173.5000112.9I16 H215 T219I16-L217 HydrophobicContact CD1-CB 4.13Å; I16-L217 HydrophobicContact CD1-CD1 3.96Å; I16-L217 HydrophobicContact CG1-CB 4.3Å; H215-L217 VanDerWaalsContact C-N 3.26Å; H215-L217 PolarHBondContact ND1-N 2.92Å; H215-L217 PolarHBondContact O-N 3.44Å; H215-L217 VanDerWaalsContact O-N 3.13Å; L217-T219 PolarHBondContact O-N 3.47Å
218M83.9Confident82.9Confident30 Ų3056 Ų5615%0.14830%0.303CS..  trans-68.8126.4178.1-171.358.560.400110.1I16 W149 P212 H215 E222 L223I16-M218 HydrophobicContact CG2-CE 3.65Å; I16-M218 HydrophobicContact CG2-SD 4.09Å; W149-M218 HydrophobicContact CE3-CE 4.11Å; W149-M218 HydrophobicContact CH2-CE 3.79Å; W149-M218 HydrophobicContact CZ3-CE 3.35Å; P212-M218 HydrophobicContact CB-CE 3.62Å; P212-M218 WeakPolarHBondContact O-CB 3.3Å; P212-M218 WeakPolarHBondContact O-CE 3.44Å; P212-M218 WeakPolarHBondContact O-CG 3.31Å; H215-M218 HydrophobicContact CB-CB 4.3Å; H215-M218 WeakPolarHBondContact O-CB 3.21Å; H215-M218 PolarHBondContact O-N 3.28Å; M218-E222 HydrophobicContact SD-CB 4.09Å; M218-E222 HydrophobicContact SD-CG 4.14Å; M218-L223 HydrophobicContact CG-CB 4.12Å; M218-L223 HydrophobicContact CG-CD1 4.34Å; M218-L223 HydrophobicContact SD-CB 4.3Å
219T84.8Confident80.8Confident40 Ų4057.3 Ų57.325%0.24532%0.317CS..  trans-97.5144175.2-57.20000109.4K13 L217 H221 E222 L223K13-T219 PolarHBondContact O-OG1 2.79Å; L217-T219 PolarHBondContact O-N 3.47Å; T219-H221 HydrophobicContact CG2-CB 4.23Å; T219-H221 PolarHBondContact O-N 3.46Å; T219-H221 VanDerWaalsContact O-N 3.16Å; T219-E222 PolarHBondContact O-N 3.22Å; T219-L223 PolarHBondContact O-N 3.09Å
220H82.6Confident78.8Confident154 Ų15460.5 Ų60.571%0.71334%0.343SS*.Hα-helixtrans-51.7-39.9176.8-77.9-61.8000113.4E222 L223 Q224H220-E222 PolarHBondContact O-N 3.37Å; H220-L223 PolarHBondContact O-N 2.95Å; H220-Q224 WeakPolarHBondContact O-CB 3.39Å; H220-Q224 WeakPolarHBondContact O-CG 3.37Å; H220-Q224 PolarHBondContact O-N 3.31Å
221H81.8Confident76.9Confident120 Ų12066 Ų6656%0.55636%0.364SS*.Hα-helixtrans-59.7-43.5175.5178.5-82.6000112.8T219 H225T219-H221 HydrophobicContact CG2-CB 4.23Å; T219-H221 PolarHBondContact O-N 3.46Å; T219-H221 VanDerWaalsContact O-N 3.16Å; H221-H225 WeakPolarHBondContact O-CB 3.28Å; H221-H225 PolarHBondContact O-N 2.94Å
222E82.8Confident75.4Confident3 Ų366.8 Ų66.81%0.01437%0.365CS..Hα-helixtrans-72.6-38.6-179.7-171.7164.4178.800111.3R15 I16 R17 M218 T219 H220 Q224 H225 I226R15-E222 PolarHBondContact N-OE2 3.17Å; R15-E222 VanDerWaalsContact N-OE2 3.13Å; I16-E222 WeakPolarHBondContact CG2-OE1 3.41Å; I16-E222 WeakPolarHBondContact CG2-OE2 3.11Å; I16-E222 PolarHBondContact N-OE1 3.34Å; I16-E222 PolarHBondContact N-OE2 2.92Å; R17-E222 WeakPolarHBondContact CB-OE1 3.29Å; R17-E222 WeakPolarHBondContact CG-OE1 3.36Å; R17-E222 PolarHBondContact N-OE1 3.33Å; M218-E222 HydrophobicContact SD-CB 4.09Å; M218-E222 HydrophobicContact SD-CG 4.14Å; T219-E222 PolarHBondContact O-N 3.22Å; H220-E222 PolarHBondContact O-N 3.37Å; E222-Q224 PolarHBondContact O-N 3.39Å; E222-H225 WeakPolarHBondContact O-CB 3.4Å; E222-H225 PolarHBondContact O-N 2.68Å; E222-I226 HydrophobicContact CG-CD1 4.32Å; E222-I226 WeakPolarHBondContact O-CG1 3.17Å; E222-I226 PolarHBondContact O-N 3.44Å
223L84.3Confident73.7Confident32 Ų3269.5 Ų69.517%0.16838%0.379CS..Hα-helixtrans-60.8-44.5174.3-171.868.3000111.7P212 E213 M218 T219 H220 H225 I226 G228P212-L223 HydrophobicContact CB-CD1 4.04Å; E213-L223 HydrophobicContact CG-CD1 3.98Å; E213-L223 HydrophobicContact CG-CD2 4.17Å; M218-L223 HydrophobicContact CG-CB 4.12Å; M218-L223 HydrophobicContact CG-CD1 4.34Å; M218-L223 HydrophobicContact SD-CB 4.3Å; T219-L223 PolarHBondContact O-N 3.09Å; H220-L223 PolarHBondContact O-N 2.95Å; L223-H225 VanDerWaalsContact C-N 3.35Å; L223-I226 PolarHBondContact O-N 3.09Å; L223-G228 VanDerWaalsContact O-CA 3.31Å; L223-G228 WeakPolarHBondContact O-CA 3.15Å; L223-G228 PolarHBondContact O-N 3.4Å
224Q82.8Confident72.2Confident147 Ų14773.9 Ų73.969%0.68740%0.397SS*.Hα-helixtrans-63.5-40.6174.1-75.7178.9-9.500111.7H220 E222 I226 G227H220-Q224 WeakPolarHBondContact O-CB 3.39Å; H220-Q224 WeakPolarHBondContact O-CG 3.37Å; H220-Q224 PolarHBondContact O-N 3.31Å; E222-Q224 PolarHBondContact O-N 3.39Å; Q224-I226 VanDerWaalsContact C-N 3.33Å; Q224-I226 PolarHBondContact O-N 3.32Å; Q224-G227 PolarHBondContact O-N 3.04Å
225H81.8Confident70.3Confident83 Ų8374.2 Ų74.238%0.38440%0.403SS..Hα-helixtrans-62.4-37.6179.3-177.769.2000113.2R17 E154 H221 E222 L223 G227R17-H225 PolarHBondContact NH1-CD2 2.82Å; R17-H225 PolarHBondContact NH1-NE2 3.48Å; E154-H225 IonicContact OE1-NE2 3.09Å; E154-H225 IonicContact OE2-NE2 2.67Å; H221-H225 WeakPolarHBondContact O-CB 3.28Å; H221-H225 PolarHBondContact O-N 2.94Å; E222-H225 WeakPolarHBondContact O-CB 3.4Å; E222-H225 PolarHBondContact O-N 2.68Å; L223-H225 VanDerWaalsContact C-N 3.35Å; H225-G227 PolarHBondContact O-N 3.21Å
226I82.3Confident69Low23 Ų2377.2 Ų77.212%0.11842%0.416CS..Hα-helixtrans-67.3-21.7175.9-65.3164.2000111.6K148 P151 E222 L223 Q224K148-I226 WeakPolarHBondContact O-CG2 3.24Å; P151-I226 HydrophobicContact CG-CG1 4.47Å; E222-I226 HydrophobicContact CG-CD1 4.32Å; E222-I226 WeakPolarHBondContact O-CG1 3.17Å; E222-I226 PolarHBondContact O-N 3.44Å; L223-I226 PolarHBondContact O-N 3.09Å; Q224-I226 VanDerWaalsContact C-N 3.33Å; Q224-I226 PolarHBondContact O-N 3.32Å
227G69.7Low68.3Low52 Ų5282.4 Ų82.454%0.53643%0.428SS..THydrogen-bonded Turntrans119.914.6-177.500000113.8Q224 H225Q224-G227 PolarHBondContact O-N 3.04Å; H225-G227 PolarHBondContact O-N 3.21Å
228G53.6Low67.7Low36 Ų3680.5 Ų80.537%0.37142%0.419SS..SBendtrans63.784.1171.200000112.8L223 T230L223-G228 VanDerWaalsContact O-CA 3.31Å; L223-G228 WeakPolarHBondContact O-CA 3.15Å; L223-G228 PolarHBondContact O-N 3.4Å; G228-T230 PolarHBondContact O-N 3.48Å
229G49.5Very low67.6Low30 Ų3080.3 Ų80.331%0.30942%0.42SS..  trans49.134.8150.400000116.7E213 K231E213-G229 WeakPolarHBondContact OE1-CA 3.34Å; G229-K231 PolarHBondContact O-N 2.93Å
230T50Low67.6Low118 Ų11882.1 Ų82.172%0.72442%0.423SS*.  trans-6791.7175.323.30000106.5G228 R232G228-T230 PolarHBondContact O-N 3.48Å; T230-R232 VanDerWaalsContact C-N 3.26Å; T230-R232 PolarHBondContact O-N 3.32Å
231K49.1Very low67.7Low152 Ų15284.8 Ų84.866%0.66143%0.426SS*.  trans-60.697.7172.8-77.5-174.4-179.3178.40106E213 G229 D233E213-K231 WeakPolarHBondContact OE2-CE 3.24Å; E213-K231 IonicContact OE2-NZ 3.85Å; G229-K231 PolarHBondContact O-N 2.93Å; K231-D233 PolarHBondContact O-N 2.7Å
232R55.2Low67.8Low48 Ų4883.1 Ų83.118%0.18142%0.419CS..  trans-49.2115.7163.8-178.2173.8169.4-159.1-11.7106.8Y144 T230 K234 Y378Y144-R232 VanDerWaalsContact CE1-NH1 3.34Å; Y144-R232 PolarHBondContact OH-NH1 2.82Å; T230-R232 VanDerWaalsContact C-N 3.26Å; T230-R232 PolarHBondContact O-N 3.32Å; R232-K234 PolarHBondContact O-N 3.4Å; R232-Y378 VanDerWaalsContact CZ-CZ 3.42Å; R232-Y378 PolarHBondContact NH2-OH 3.27Å
233D51.2Low68Low68 Ų6883 Ų8336%0.36442%0.419SS..  trans-66108.5176.3-165.5-13.5000107.7K231 T235 K236K231-D233 PolarHBondContact O-N 2.7Å; D233-T235 PolarHBondContact O-N 3.01Å; D233-T235 WeakPolarHBondContact OD1-CB 3.16Å; D233-T235 WeakPolarHBondContact OD1-CG2 3.47Å; D233-T235 PolarHBondContact OD1-N 3.44Å; D233-T235 VanDerWaalsContact OD1-N 3.16Å; D233-T235 PolarHBondContact OD1-OG1 3.01Å; D233-T235 PolarHBondContact OD2-OG1 3.47Å; D233-T235 VanDerWaalsContact OD2-OG1 3.1Å; D233-K236 PolarHBondContact O-N 3.41Å
234K53Low68.2Low167 Ų16785.1 Ų85.173%0.72643%0.429SS*.THydrogen-bonded Turntrans-62.2-12.4-179.6-66.2-177.7-178.8178.20111.6R232R232-K234 PolarHBondContact O-N 3.4Å
235T46.7Very low68.5Low110 Ų11082.8 Ų82.868%0.67543%0.425SS*.THydrogen-bonded Turntrans-85.4-20-176.368.10000114.2D233D233-T235 PolarHBondContact O-N 3.01Å; D233-T235 WeakPolarHBondContact OD1-CB 3.16Å; D233-T235 WeakPolarHBondContact OD1-CG2 3.47Å; D233-T235 PolarHBondContact OD1-N 3.44Å; D233-T235 VanDerWaalsContact OD1-N 3.16Å; D233-T235 PolarHBondContact OD1-OG1 3.01Å; D233-T235 PolarHBondContact OD2-OG1 3.47Å; D233-T235 VanDerWaalsContact OD2-OG1 3.1Å
236K59.1Low69Low77 Ų7779.7 Ų79.734%0.33541%0.412SS..SBendtrans-86.2125.3-178.8-74.3-162.8177.8-167.40112.5D233 E450D233-K236 PolarHBondContact O-N 3.41Å; K236-E450 IonicContact NZ-OE2 3.96Å; K236-E450 PolarHBondContact NZ-OE2 3.01Å
237K66.6Low69.5Low195 Ų19585.6 Ų85.685%0.84844%0.436SS*.PPolyproline II helixtrans-63.9138.2178.2-68.4179.3179.4177.40110.4
238T71.6Confident70.6Confident5 Ų583.1 Ų83.13%0.03141%0.411CS..PPolyproline II helixtrans-56.9129.1171.2-51.10000109.7Q91 Y240 F376 Y378 F379Q91-T238 PolarHBondContact OE1-OG1 3.39Å; T238-Y240 WeakPolarHBondContact O-CD2 3.21Å; T238-Y240 WeakPolarHBondContact O-CE2 3.34Å; T238-Y240 PolarHBondContact O-N 3.11Å; T238-F376 HydrophobicContact CG2-CD1 4.43Å; T238-Y378 WeakPolarHBondContact CG2-OH 3.49Å; T238-Y378 PolarHBondContact OG1-OH 2.79Å; T238-F379 HydrophobicContact CG2-CB 4.22Å; T238-F379 HydrophobicContact CG2-CD1 4.38Å; T238-F379 HydrophobicContact CG2-CD2 3.84Å; T238-F379 HydrophobicContact CG2-CE2 4.33Å; T238-F379 HydrophobicContact CG2-CG 3.87Å
239P81.2Confident72.5Confident27 Ų2781.5 Ų81.518%0.17539%0.394CS..  trans-77.670.6-179.631.6-34.8000111.1R241 E242 V243 F376 F443P239-R241 VanDerWaalsContact C-N 3.31Å; P239-R241 PolarHBondContact O-N 3.3Å; P239-E242 HydrophobicContact CB-CB 4.36Å; P239-E242 PolarHBondContact O-N 3.3Å; P239-V243 HydrophobicContact CG-CG2 4.33Å; P239-V243 WeakPolarHBondContact O-CG2 3.44Å; P239-V243 PolarHBondContact O-N 3.46Å; P239-V243 VanDerWaalsContact O-N 3.15Å; P239-F376 VanDerWaalsContact CD-CE1 3.41Å; P239-F376 HydrophobicContact CG-CE1 4.21Å; P239-F376 HydrophobicContact CG-CE2 4.21Å; P239-F376 HydrophobicContact CG-CZ 3.99Å; P239-F443 HydrophobicContact CG-CB 4.2Å; P239-F443 HydrophobicContact CG-CD2 4.21Å
240Y84.3Confident74.7Confident77 Ų7785.4 Ų85.430%0.30240%0.4SS..Hα-helixtrans-52.9-45.3-174-68-88.1000112.9Q91 T238 L244 F379Q91-Y240 PolarHBondContact NE2-OH 2.84Å; T238-Y240 WeakPolarHBondContact O-CD2 3.21Å; T238-Y240 WeakPolarHBondContact O-CE2 3.34Å; T238-Y240 PolarHBondContact O-N 3.11Å; Y240-L244 WeakPolarHBondContact O-CB 3.15Å; Y240-L244 WeakPolarHBondContact O-CD1 3.4Å; Y240-L244 WeakPolarHBondContact O-CG 3.24Å; Y240-L244 PolarHBondContact O-N 3.34Å; Y240-F379 AromaticContact CD1-CE2 3.51Å; Y240-F379 HydrophobicContact CD1-CE2 3.51Å; Y240-F379 AromaticContact CD1-CZ 3.57Å; Y240-F379 HydrophobicContact CD1-CZ 3.57Å; Y240-F379 HydrophobicContact CE1-CD2 4.19Å; Y240-F379 AromaticContact CE1-CE2 3.34Å; Y240-F379 HydrophobicContact CE1-CE2 3.34Å; Y240-F379 AromaticContact CE1-CZ 3.93Å; Y240-F379 HydrophobicContact CE1-CZ 3.93Å
241R85Confident76.8Confident210 Ų21079.8 Ų79.879%0.79237%0.365SS*.Hα-helixtrans-62.9-48.3-177.3-175.6-179.5178.6-171.4-0.2111.7P239 L244 T245P239-R241 VanDerWaalsContact C-N 3.31Å; P239-R241 PolarHBondContact O-N 3.3Å; R241-L244 PolarHBondContact O-N 3.07Å; R241-T245 WeakPolarHBondContact O-CG2 3.27Å; R241-T245 PolarHBondContact O-N 3.45Å; R241-T245 PolarHBondContact O-OG1 3.34Å; R241-T245 VanDerWaalsContact O-OG1 3.05Å
242E85.1Confident79Confident86 Ų8672.6 Ų72.640%0.40233%0.334SS..Hα-helixtrans-66.3-41.7-175.9-64.1172.9-143.600111.2P239 T245 D246 F443P239-E242 HydrophobicContact CB-CB 4.36Å; P239-E242 PolarHBondContact O-N 3.3Å; E242-T245 WeakPolarHBondContact CA-OG1 3.48Å; E242-T245 PolarHBondContact O-N 3.12Å; E242-T245 PolarHBondContact O-OG1 3.32Å; E242-D246 PolarHBondContact O-N 3.42Å; E242-F443 HydrophobicContact CB-CB 3.74Å; E242-F443 VanDerWaalsContact OE2-CA 3.29Å; E242-F443 WeakPolarHBondContact OE2-CA 3.43Å; E242-F443 WeakPolarHBondContact OE2-CB 3.43Å
243V86.4Confident81Confident0 Ų070.5 Ų70.50%033%0.326CS..Hα-helixtrans-63-43.7175.8179.10000111.4P239 T245 D246 V249 W253 F379 V380 F443P239-V243 HydrophobicContact CG-CG2 4.33Å; P239-V243 WeakPolarHBondContact O-CG2 3.44Å; P239-V243 PolarHBondContact O-N 3.46Å; P239-V243 VanDerWaalsContact O-N 3.15Å; V243-T245 PolarHBondContact O-N 3.38Å; V243-D246 PolarHBondContact O-N 3.22Å; V243-V249 HydrophobicContact CG1-CG1 3.96Å; V243-V249 HydrophobicContact CG1-CG2 4.25Å; V243-W253 HydrophobicContact CG1-CH2 4.37Å; V243-F379 HydrophobicContact CB-CD1 4.34Å; V243-F379 HydrophobicContact CB-CE1 4.03Å; V243-F379 HydrophobicContact CG1-CD1 3.75Å; V243-F379 HydrophobicContact CG1-CE1 3.59Å; V243-F379 HydrophobicContact CG2-CD1 4.41Å; V243-V380 HydrophobicContact CG1-CG2 3.86Å; V243-F443 HydrophobicContact CG2-CD1 4.17Å; V243-F443 HydrophobicContact CG2-CD2 3.99Å; V243-F443 HydrophobicContact CG2-CE1 4.03Å; V243-F443 HydrophobicContact CG2-CE2 3.87Å; V243-F443 HydrophobicContact CG2-CG 4.17Å; V243-F443 HydrophobicContact CG2-CZ 3.9Å
244L87.9Confident83.1Confident76 Ų7669.6 Ų69.640%0.39832%0.323SS..Hα-helixtrans-70.6-17.7179.4-70.4171.3000113.3Y240 R241 W250 W253Y240-L244 WeakPolarHBondContact O-CB 3.15Å; Y240-L244 WeakPolarHBondContact O-CD1 3.4Å; Y240-L244 WeakPolarHBondContact O-CG 3.24Å; Y240-L244 PolarHBondContact O-N 3.34Å; R241-L244 PolarHBondContact O-N 3.07Å; L244-W250 PolarHBondContact O-NE1 3.28Å; L244-W253 HydrophobicContact CD2-CH2 3.84Å; L244-W253 HydrophobicContact CD2-CZ3 3.93Å
245T89.3Confident85.2Confident98 Ų9861.7 Ų61.760%0.60129%0.288SS*.Hα-helixtrans-93.3-11.9174.8520000113.8R241 E242 V243 K247R241-T245 WeakPolarHBondContact O-CG2 3.27Å; R241-T245 PolarHBondContact O-N 3.45Å; R241-T245 PolarHBondContact O-OG1 3.34Å; R241-T245 VanDerWaalsContact O-OG1 3.05Å; E242-T245 WeakPolarHBondContact CA-OG1 3.48Å; E242-T245 PolarHBondContact O-N 3.12Å; E242-T245 PolarHBondContact O-OG1 3.32Å; V243-T245 PolarHBondContact O-N 3.38Å; T245-K247 PolarHBondContact O-N 3.13Å
246D91.9Very high87.5Confident18 Ų1856.4 Ų56.410%0.09626%0.256CS..  trans-76.1122.4-176.1-172.3-73.2000111.8E242 V243 S248 V249 W250 F443E242-D246 PolarHBondContact O-N 3.42Å; V243-D246 PolarHBondContact O-N 3.22Å; D246-S248 VanDerWaalsContact C-N 3.33Å; D246-S248 PolarHBondContact O-N 3.26Å; D246-S248 WeakPolarHBondContact OD1-CA 3.44Å; D246-S248 VanDerWaalsContact OD1-CB 3.31Å; D246-S248 WeakPolarHBondContact OD1-CB 3.45Å; D246-S248 PolarHBondContact OD1-N 3.34Å; D246-V249 HydrophobicContact CB-CB 4.14Å; D246-V249 HydrophobicContact CB-CG2 3.83Å; D246-V249 PolarHBondContact O-N 3.03Å; D246-V249 PolarHBondContact OD1-N 3.16Å; D246-W250 PolarHBondContact O-N 2.78Å; D246-F443 HydrophobicContact CB-CE1 4.38Å
247K93.1Very high89.3Confident147 Ų14754.9 Ų54.964%0.63925%0.249SC*.Hα-helixtrans-66.5-32.7-176.9-63.4-178.7-178.1-179.90113T245 A251 L435T245-K247 PolarHBondContact O-N 3.13Å; K247-A251 WeakPolarHBondContact O-CB 3.48Å; K247-A251 PolarHBondContact O-N 3.09Å; K247-L435 HydrophobicContact CB-CD1 4.45Å; K247-L435 HydrophobicContact CB-CD2 4.43Å
248S92.1Very high90.7Very high1 Ų145.6 Ų45.61%0.00721%0.21CC..Hα-helixtrans-75.2-31.6-179.7-60.50000111.3D246 A251 V252 L435 R437D246-S248 VanDerWaalsContact C-N 3.33Å; D246-S248 PolarHBondContact O-N 3.26Å; D246-S248 WeakPolarHBondContact OD1-CA 3.44Å; D246-S248 VanDerWaalsContact OD1-CB 3.31Å; D246-S248 WeakPolarHBondContact OD1-CB 3.45Å; D246-S248 PolarHBondContact OD1-N 3.34Å; S248-A251 WeakPolarHBondContact O-CB 3.28Å; S248-A251 PolarHBondContact O-N 3.34Å; S248-V252 WeakPolarHBondContact O-CG2 3.49Å; S248-V252 PolarHBondContact O-N 3.5Å; S248-V252 VanDerWaalsContact O-N 3.14Å; S248-L435 PolarHBondContact OG-O 3.42Å; S248-R437 VanDerWaalsContact OG-CD 3.24Å; S248-R437 WeakPolarHBondContact OG-CD 3.46Å; S248-R437 VanDerWaalsContact OG-CG 3.29Å; S248-R437 WeakPolarHBondContact OG-CG 3.26Å
249V94.1Very high91.8Very high1 Ų145.7 Ų45.71%0.00621%0.21CC..Hα-helixtrans-62.9-47.9169.8173.80000110.9V243 D246 A251 V252 W253 V380 F443V243-V249 HydrophobicContact CG1-CG1 3.96Å; V243-V249 HydrophobicContact CG1-CG2 4.25Å; D246-V249 HydrophobicContact CB-CB 4.14Å; D246-V249 HydrophobicContact CB-CG2 3.83Å; D246-V249 PolarHBondContact O-N 3.03Å; D246-V249 PolarHBondContact OD1-N 3.16Å; V249-A251 VanDerWaalsContact C-N 3.29Å; V249-A251 PolarHBondContact O-N 3Å; V249-V252 WeakPolarHBondContact O-CB 3.36Å; V249-V252 PolarHBondContact O-N 3.37Å; V249-V252 VanDerWaalsContact O-N 3.15Å; V249-W253 HydrophobicContact CG1-CD2 3.86Å; V249-W253 HydrophobicContact CG1-CE3 3.96Å; V249-W253 HydrophobicContact CG1-CH2 3.49Å; V249-W253 VanDerWaalsContact CG1-CH2 3.49Å; V249-W253 HydrophobicContact CG1-CZ2 3.38Å; V249-W253 HydrophobicContact CG1-CZ3 3.78Å; V249-W253 PolarHBondContact O-N 2.98Å; V249-V380 HydrophobicContact CG1-CG1 4.17Å; V249-V380 HydrophobicContact CG1-CG2 4.42Å; V249-V380 HydrophobicContact CG2-CG2 4.34Å; V249-F443 HydrophobicContact CG2-CE1 4.29Å
250W95.3Very high92.4Very high113 Ų11344.8 Ų44.843%0.42820%0.203SC..Hα-helixtrans-60-39174.6-82.5102.6000112.9L244 D246 V252 W253 V254 F387L244-W250 PolarHBondContact O-NE1 3.28Å; D246-W250 PolarHBondContact O-N 2.78Å; W250-V252 VanDerWaalsContact C-N 3.3Å; W250-V252 PolarHBondContact O-N 2.87Å; W250-W253 HydrophobicContact CD2-CE3 4.04Å; W250-W253 HydrophobicContact CD2-CZ3 4.36Å; W250-W253 HydrophobicContact CE3-CE3 4.02Å; W250-W253 HydrophobicContact CZ2-CZ3 4.35Å; W250-W253 HydrophobicContact CZ3-CE3 4.3Å; W250-W253 PolarHBondContact O-N 3.04Å; W250-V254 WeakPolarHBondContact O-CB 3.45Å; W250-V254 WeakPolarHBondContact O-CG2 3.23Å; W250-V254 PolarHBondContact O-N 3.43Å; W250-F387 HydrophobicContact CZ3-CE1 4.45Å; W250-F387 AromaticContact CZ3-CZ 3.99Å; W250-F387 HydrophobicContact CZ3-CZ 3.99Å
251A95.3Very high92.9Very high0 Ų041.8 Ų41.80%019%0.192CC..Hα-helixtrans-59.6-41.5176.100000112.1K247 S248 V249 A255 Y432 L435K247-A251 WeakPolarHBondContact O-CB 3.48Å; K247-A251 PolarHBondContact O-N 3.09Å; S248-A251 WeakPolarHBondContact O-CB 3.28Å; S248-A251 PolarHBondContact O-N 3.34Å; V249-A251 VanDerWaalsContact C-N 3.29Å; V249-A251 PolarHBondContact O-N 3Å; A251-A255 WeakPolarHBondContact O-CB 3.41Å; A251-A255 PolarHBondContact O-N 3.39Å; A251-Y432 HydrophobicContact CB-CD2 4.34Å; A251-L435 HydrophobicContact CB-CB 3.65Å; A251-L435 HydrophobicContact CB-CD1 4.26Å
252V95.4Very high93.3Very high1 Ų131.8 Ų31.81%0.00615%0.154CC..Hα-helixtrans-63.4-45.5174.7169.60000111.3S248 V249 W250 A255 G256 F365 A369 Y432S248-V252 WeakPolarHBondContact O-CG2 3.49Å; S248-V252 PolarHBondContact O-N 3.5Å; S248-V252 VanDerWaalsContact O-N 3.14Å; V249-V252 WeakPolarHBondContact O-CB 3.36Å; V249-V252 PolarHBondContact O-N 3.37Å; V249-V252 VanDerWaalsContact O-N 3.15Å; W250-V252 VanDerWaalsContact C-N 3.3Å; W250-V252 PolarHBondContact O-N 2.87Å; V252-A255 PolarHBondContact O-N 3.3Å; V252-G256 PolarHBondContact O-N 2.92Å; V252-F365 HydrophobicContact CB-CB 4.49Å; V252-F365 HydrophobicContact CG1-CB 4.06Å; V252-F365 HydrophobicContact CG1-CD2 4.1Å; V252-F365 WeakPolarHBondContact CG1-O 3.39Å; V252-F365 HydrophobicContact CG2-CB 4.49Å; V252-A369 HydrophobicContact CG1-CB 3.75Å; V252-A369 HydrophobicContact CG2-CB 4.36Å; V252-Y432 HydrophobicContact CG2-CE2 3.94Å
253W95.9Very high93.6Very high3 Ų328.9 Ų28.91%0.01114%0.143CC..Hα-helixtrans-67.3-40.7-178.5-71.1-19.6000113.5V243 L244 V249 W250 G256 F257 V380 Y383 F387V243-W253 HydrophobicContact CG1-CH2 4.37Å; L244-W253 HydrophobicContact CD2-CH2 3.84Å; L244-W253 HydrophobicContact CD2-CZ3 3.93Å; V249-W253 HydrophobicContact CG1-CD2 3.86Å; V249-W253 HydrophobicContact CG1-CE3 3.96Å; V249-W253 HydrophobicContact CG1-CH2 3.49Å; V249-W253 VanDerWaalsContact CG1-CH2 3.49Å; V249-W253 HydrophobicContact CG1-CZ2 3.38Å; V249-W253 HydrophobicContact CG1-CZ3 3.78Å; V249-W253 PolarHBondContact O-N 2.98Å; W250-W253 HydrophobicContact CD2-CE3 4.04Å; W250-W253 HydrophobicContact CD2-CZ3 4.36Å; W250-W253 HydrophobicContact CE3-CE3 4.02Å; W250-W253 HydrophobicContact CZ2-CZ3 4.35Å; W250-W253 HydrophobicContact CZ3-CE3 4.3Å; W250-W253 PolarHBondContact O-N 3.04Å; W253-G256 PolarHBondContact O-N 3.44Å; W253-F257 WeakPolarHBondContact O-CB 3.31Å; W253-F257 PolarHBondContact O-N 3.4Å; W253-V380 PolarHBondContact NE1-O 3.04Å; W253-Y383 HydrophobicContact CZ2-CD1 4.43Å; W253-Y383 HydrophobicContact CZ2-CG 4.17Å; W253-F387 HydrophobicContact CB-CD2 3.75Å; W253-F387 HydrophobicContact CB-CE1 4.22Å; W253-F387 HydrophobicContact CB-CE2 3.35Å; W253-F387 HydrophobicContact CB-CG 4.37Å; W253-F387 HydrophobicContact CB-CZ 3.61Å; W253-F387 HydrophobicContact CD2-CD2 4.48Å; W253-F387 AromaticContact CD2-CE2 3.59Å; W253-F387 HydrophobicContact CD2-CE2 3.59Å; W253-F387 HydrophobicContact CD2-CZ 4.15Å; W253-F387 AromaticContact CE3-CE2 3.88Å; W253-F387 HydrophobicContact CE3-CE2 3.88Å; W253-F387 HydrophobicContact CE3-CZ 4.03Å; W253-F387 AromaticContact CG-CD2 3.88Å; W253-F387 HydrophobicContact CG-CD2 3.88Å; W253-F387 AromaticContact CG-CE2 3.37Å; W253-F387 HydrophobicContact CG-CE2 3.37Å; W253-F387 HydrophobicContact CG-CZ 4.02Å
254V96.6Very high93.6Very high50 Ų5030.2 Ų30.230%0.30315%0.149SC..Hα-helixtrans-63.6-42.6173.81710000110.9W250 F257 A258 A428W250-V254 WeakPolarHBondContact O-CB 3.45Å; W250-V254 WeakPolarHBondContact O-CG2 3.23Å; W250-V254 PolarHBondContact O-N 3.43Å; V254-F257 PolarHBondContact O-N 2.95Å; V254-A258 PolarHBondContact O-N 3.4Å; V254-A428 HydrophobicContact CG1-CB 3.99Å
255A96.6Very high93.6Very high0 Ų026.7 Ų26.70%013%0.131CC..Hα-helixtrans-62.4-44.8174.400000111.9A251 V252 A258 D259 L326 F365 Y432A251-A255 WeakPolarHBondContact O-CB 3.41Å; A251-A255 PolarHBondContact O-N 3.39Å; V252-A255 PolarHBondContact O-N 3.3Å; A255-A258 PolarHBondContact O-N 3.3Å; A255-D259 VanDerWaalsContact O-CB 3.3Å; A255-D259 WeakPolarHBondContact O-CB 3.48Å; A255-D259 PolarHBondContact O-N 3.5Å; A255-L326 HydrophobicContact CB-CD1 4.1Å; A255-F365 HydrophobicContact CB-CB 3.97Å; A255-F365 HydrophobicContact CB-CD1 4.03Å; A255-F365 HydrophobicContact CB-CG 4.15Å; A255-Y432 HydrophobicContact CB-CD2 3.82Å; A255-Y432 HydrophobicContact CB-CG 4.31Å
256G95Very high93.5Very high0 Ų022.6 Ų22.60%011%0.105CC..Hα-helixtrans-64-40.117700000113.1V252 W253 I260V252-G256 PolarHBondContact O-N 2.92Å; W253-G256 PolarHBondContact O-N 3.44Å; G256-I260 WeakPolarHBondContact O-CB 3.32Å; G256-I260 WeakPolarHBondContact O-CD1 3.43Å; G256-I260 VanDerWaalsContact O-CG1 3.26Å; G256-I260 WeakPolarHBondContact O-CG1 3.33Å; G256-I260 PolarHBondContact O-N 3.29Å
257F95.9Very high92.9Very high44 Ų4424.4 Ų24.419%0.19311%0.114CC..Hα-helixtrans-58.1-54172.9175.9-97.4000111.1W253 V254 D259 I260 F261 F387 L390 A391 L394W253-F257 WeakPolarHBondContact O-CB 3.31Å; W253-F257 PolarHBondContact O-N 3.4Å; V254-F257 PolarHBondContact O-N 2.95Å; F257-D259 PolarHBondContact O-N 2.75Å; F257-I260 PolarHBondContact O-N 3.13Å; F257-F261 HydrophobicContact CE1-CB 4.39Å; F257-F261 HydrophobicContact CE1-CD1 4.5Å; F257-F261 HydrophobicContact CE1-CG 4.35Å; F257-F261 HydrophobicContact CZ-CB 4.46Å; F257-F261 HydrophobicContact CZ-CD2 4.27Å; F257-F261 HydrophobicContact CZ-CG 4.24Å; F257-F261 WeakPolarHBondContact O-CB 3.32Å; F257-F261 PolarHBondContact O-N 2.84Å; F257-F387 HydrophobicContact CB-CB 3.98Å; F257-F387 HydrophobicContact CB-CD1 3.94Å; F257-F387 HydrophobicContact CB-CG 4.3Å; F257-F387 HydrophobicContact CD2-CB 4.29Å; F257-F387 HydrophobicContact CD2-CD1 4.28Å; F257-F387 HydrophobicContact CG-CD1 4.42Å; F257-L390 HydrophobicContact CE2-CB 4.24Å; F257-A391 HydrophobicContact CD2-CB 4.07Å; F257-A391 HydrophobicContact CE2-CB 3.88Å; F257-L394 HydrophobicContact CE2-CD1 4.07Å; F257-L394 HydrophobicContact CZ-CD1 3.84Å
258A96.9Very high92.2Very high1 Ų119.9 Ų19.91%0.00810%0.098CC..Hα-helixtrans-63.9-40.8-177.500000112.8V254 A255 A262 T424 L425 A428V254-A258 PolarHBondContact O-N 3.4Å; A255-A258 PolarHBondContact O-N 3.3Å; A258-A262 VanDerWaalsContact O-CB 3.28Å; A258-A262 WeakPolarHBondContact O-CB 3.45Å; A258-A262 PolarHBondContact O-N 2.74Å; A258-T424 HydrophobicContact CB-CG2 3.98Å; A258-L425 HydrophobicContact CB-CD2 4.41Å; A258-A428 HydrophobicContact CB-CB 3.32Å
259D95.4Very high91.6Very high6 Ų620.8 Ų20.83%0.03210%0.102CC..Hα-helixtrans-56.6-52.4173.8-179.198.8000110.9A255 F257 S263 L326 F358 N361 F365A255-D259 VanDerWaalsContact O-CB 3.3Å; A255-D259 WeakPolarHBondContact O-CB 3.48Å; A255-D259 PolarHBondContact O-N 3.5Å; F257-D259 PolarHBondContact O-N 2.75Å; D259-S263 VanDerWaalsContact O-CB 3.23Å; D259-S263 WeakPolarHBondContact O-CB 3.36Å; D259-S263 PolarHBondContact O-N 2.99Å; D259-S263 PolarHBondContact O-OG 3.46Å; D259-L326 HydrophobicContact CB-CD2 3.87Å; D259-F358 VanDerWaalsContact OD1-CD1 3.28Å; D259-F358 WeakPolarHBondContact OD1-CD1 3.46Å; D259-N361 WeakPolarHBondContact OD1-CB 3.37Å; D259-N361 PolarHBondContact OD1-ND2 3.46Å; D259-N361 VanDerWaalsContact OD1-ND2 3.13Å; D259-N361 PolarHBondContact OD2-ND2 2.99Å; D259-F365 HydrophobicContact CB-CE1 3.74Å; D259-F365 HydrophobicContact CB-CZ 4.09Å
260I92.9Very high91.1Very high9 Ų920.9 Ų20.95%0.04610%0.103CC..Hα-helixtrans-68.7-45.9-177.1-68.4160.4000111.1G256 F257 A262 S263 F264 I384 K388 A391G256-I260 WeakPolarHBondContact O-CB 3.32Å; G256-I260 WeakPolarHBondContact O-CD1 3.43Å; G256-I260 VanDerWaalsContact O-CG1 3.26Å; G256-I260 WeakPolarHBondContact O-CG1 3.33Å; G256-I260 PolarHBondContact O-N 3.29Å; F257-I260 PolarHBondContact O-N 3.13Å; I260-A262 PolarHBondContact O-N 2.76Å; I260-S263 WeakPolarHBondContact CA-OG 3.39Å; I260-S263 PolarHBondContact O-N 3.28Å; I260-S263 PolarHBondContact O-OG 3.49Å; I260-F264 HydrophobicContact CG2-CD2 3.97Å; I260-F264 HydrophobicContact CG2-CE2 3.99Å; I260-F264 WeakPolarHBondContact O-CD2 3.31Å; I260-F264 PolarHBondContact O-N 3.16Å; I260-F264 VanDerWaalsContact O-N 3.1Å; I260-I384 HydrophobicContact CD1-CG2 3.88Å; I260-K388 HydrophobicContact CD1-CB 3.76Å; I260-K388 HydrophobicContact CD1-CG 4.38Å; I260-K388 HydrophobicContact CG2-CB 4.24Å; I260-K388 HydrophobicContact CG2-CG 3.98Å; I260-A391 HydrophobicContact CG2-CB 4.04Å
261F94.1Very high90.2Very high13 Ų1316.9 Ų16.96%0.0579%0.094CC..Hα-helixtrans-55.5-53.2179.1-170.7-119.1000110.8F257 S263 F264 A391 L394 E395 L398 H421 T424F257-F261 HydrophobicContact CE1-CB 4.39Å; F257-F261 HydrophobicContact CE1-CD1 4.5Å; F257-F261 HydrophobicContact CE1-CG 4.35Å; F257-F261 HydrophobicContact CZ-CB 4.46Å; F257-F261 HydrophobicContact CZ-CD2 4.27Å; F257-F261 HydrophobicContact CZ-CG 4.24Å; F257-F261 WeakPolarHBondContact O-CB 3.32Å; F257-F261 PolarHBondContact O-N 2.84Å; F261-S263 PolarHBondContact O-N 2.91Å; F261-F264 WeakPolarHBondContact O-CB 3.19Å; F261-F264 PolarHBondContact O-N 3.16Å; F261-A391 HydrophobicContact CB-CB 3.88Å; F261-A391 HydrophobicContact CD2-CB 3.94Å; F261-A391 HydrophobicContact CG-CB 4.4Å; F261-L394 HydrophobicContact CE2-CB 3.83Å; F261-E395 HydrophobicContact CD2-CB 4.43Å; F261-E395 VanDerWaalsContact CD2-OE2 3.3Å; F261-E395 WeakPolarHBondContact CD2-OE2 3.22Å; F261-E395 HydrophobicContact CE2-CB 4.15Å; F261-E395 WeakPolarHBondContact CE2-OE2 3.3Å; F261-L398 HydrophobicContact CE1-CD2 3.87Å; F261-L398 HydrophobicContact CZ-CB 4.43Å; F261-L398 HydrophobicContact CZ-CD2 3.55Å; F261-H421 AromaticContact CD1-CD2 3.75Å; F261-H421 AromaticContact CD1-NE2 3.6Å; F261-H421 AromaticContact CE1-CD2 3.88Å; F261-H421 AromaticContact CE1-NE2 3.41Å; F261-H421 WeakPolarHBondContact CE1-NE2 3.23Å; F261-H421 AromaticContact CZ-NE2 3.93Å; F261-T424 HydrophobicContact CD1-CG2 4.33Å
262A94.8Very high89.4Confident1 Ų120 Ų201%0.00811%0.109CC..Hα-helixtrans-65.7-38.9176.800000112.7A258 I260 F264 V265 Y354 F358 L425A258-A262 VanDerWaalsContact O-CB 3.28Å; A258-A262 WeakPolarHBondContact O-CB 3.45Å; A258-A262 PolarHBondContact O-N 2.74Å; I260-A262 PolarHBondContact O-N 2.76Å; A262-F264 PolarHBondContact O-N 3.41Å; A262-F264 VanDerWaalsContact O-N 3.15Å; A262-V265 WeakPolarHBondContact O-CB 3.32Å; A262-V265 WeakPolarHBondContact O-CG2 3.47Å; A262-V265 PolarHBondContact O-N 3.3Å; A262-Y354 WeakPolarHBondContact CA-OH 3.34Å; A262-Y354 VanDerWaalsContact CB-OH 3.27Å; A262-Y354 WeakPolarHBondContact CB-OH 3.41Å; A262-Y354 PolarHBondContact O-OH 3.39Å; A262-F358 HydrophobicContact CB-CE1 4.45Å; A262-F358 HydrophobicContact CB-CZ 3.91Å; A262-L425 HydrophobicContact CB-CD1 3.76Å; A262-L425 HydrophobicContact CB-CD2 3.75Å; A262-L425 HydrophobicContact CB-CG 3.81Å
263S90Very high88.9Confident24 Ų2420.2 Ų20.217%0.16811%0.11CC..Hα-helixtrans-60.2-27.3178.677.50000113.2D259 I260 F261 Q355D259-S263 VanDerWaalsContact O-CB 3.23Å; D259-S263 WeakPolarHBondContact O-CB 3.36Å; D259-S263 PolarHBondContact O-N 2.99Å; D259-S263 PolarHBondContact O-OG 3.46Å; I260-S263 WeakPolarHBondContact CA-OG 3.39Å; I260-S263 PolarHBondContact O-N 3.28Å; I260-S263 PolarHBondContact O-OG 3.49Å; F261-S263 PolarHBondContact O-N 2.91Å; S263-Q355 PolarHBondContact O-NE2 3.41Å
264F86.7Confident88.4Confident29 Ų2920 Ų2013%0.12711%0.109CC..Hα-helixtrans-73.2-27.5-178.6-101.9-112.9000113.4I260 F261 A262 F266 L267 V268 T392 E395I260-F264 HydrophobicContact CG2-CD2 3.97Å; I260-F264 HydrophobicContact CG2-CE2 3.99Å; I260-F264 WeakPolarHBondContact O-CD2 3.31Å; I260-F264 PolarHBondContact O-N 3.16Å; I260-F264 VanDerWaalsContact O-N 3.1Å; F261-F264 WeakPolarHBondContact O-CB 3.19Å; F261-F264 PolarHBondContact O-N 3.16Å; A262-F264 PolarHBondContact O-N 3.41Å; A262-F264 VanDerWaalsContact O-N 3.15Å; F264-F266 PolarHBondContact O-N 3.32Å; F264-L267 HydrophobicContact CD1-CD2 4.47Å; F264-L267 HydrophobicContact CD2-CD2 4.21Å; F264-L267 HydrophobicContact CE1-CD2 4.4Å; F264-L267 HydrophobicContact CE2-CD2 4.15Å; F264-L267 HydrophobicContact CG-CD2 4.38Å; F264-L267 HydrophobicContact CZ-CD2 4.24Å; F264-L267 WeakPolarHBondContact O-CA 3.42Å; F264-L267 WeakPolarHBondContact O-CB 3.21Å; F264-L267 PolarHBondContact O-N 2.91Å; F264-V268 HydrophobicContact CD1-CG2 3.9Å; F264-V268 HydrophobicContact CE1-CG2 4.46Å; F264-V268 PolarHBondContact O-N 2.95Å; F264-T392 HydrophobicContact CD1-CG2 4.43Å; F264-T392 HydrophobicContact CE1-CG2 3.66Å; F264-T392 WeakPolarHBondContact CE1-OG1 3.49Å; F264-T392 HydrophobicContact CZ-CG2 4.22Å; F264-T392 WeakPolarHBondContact CZ-OG1 3.37Å; F264-E395 HydrophobicContact CB-CG 4.15Å
265V89.1Confident87.6Confident1 Ų122.6 Ų22.61%0.00612%0.118CC..Hα-helixtrans-46.2-64.2-179.7171.90000112A262 L267 Y269 Y417 F418 H421A262-V265 WeakPolarHBondContact O-CB 3.32Å; A262-V265 WeakPolarHBondContact O-CG2 3.47Å; A262-V265 PolarHBondContact O-N 3.3Å; V265-L267 VanDerWaalsContact C-N 3.29Å; V265-L267 PolarHBondContact O-N 2.96Å; V265-Y269 WeakPolarHBondContact O-CA 3.35Å; V265-Y269 WeakPolarHBondContact O-CB 3.38Å; V265-Y269 PolarHBondContact O-N 2.67Å; V265-Y417 HydrophobicContact CG1-CE1 3.61Å; V265-Y417 HydrophobicContact CG2-CE1 4.42Å; V265-F418 HydrophobicContact CG1-CD1 4.35Å; V265-F418 HydrophobicContact CG1-CE1 3.93Å; V265-H421 VanDerWaalsContact CG2-CD2 3.46Å; V265-H421 WeakPolarHBondContact CG2-CD2 3.22Å; V265-H421 VanDerWaalsContact CG2-CE1 3.45Å; V265-H421 WeakPolarHBondContact CG2-CE1 3.46Å; V265-H421 VanDerWaalsContact CG2-NE2 3.3Å; V265-H421 WeakPolarHBondContact CG2-NE2 3.16Å
266F85.5Confident87Confident12 Ų1223.5 Ų23.55%0.05312%0.121CC..Hα-helixtrans-83.9-6.1-179.7-67.5-69.5000113.4F264 Y273 L333 I351 Y354 F418F264-F266 PolarHBondContact O-N 3.32Å; F266-Y273 AromaticContact CE1-CD1 3.73Å; F266-Y273 HydrophobicContact CE1-CD1 3.73Å; F266-Y273 HydrophobicContact CE1-CE1 4.25Å; F266-Y273 HydrophobicContact CE1-CG 4.04Å; F266-L333 HydrophobicContact CE2-CD2 3.77Å; F266-L333 HydrophobicContact CZ-CD2 4.39Å; F266-I351 HydrophobicContact CB-CG2 3.97Å; F266-I351 HydrophobicContact CD1-CD1 3.89Å; F266-I351 HydrophobicContact CD1-CG1 4.18Å; F266-I351 HydrophobicContact CD1-CG2 3.78Å; F266-I351 HydrophobicContact CD2-CG1 4.33Å; F266-I351 HydrophobicContact CD2-CG2 3.7Å; F266-I351 HydrophobicContact CE1-CD1 3.37Å; F266-I351 HydrophobicContact CE1-CG1 3.71Å; F266-I351 HydrophobicContact CE1-CG2 4.19Å; F266-I351 HydrophobicContact CE2-CD1 4.45Å; F266-I351 HydrophobicContact CE2-CG1 3.86Å; F266-I351 HydrophobicContact CE2-CG2 4.1Å; F266-I351 HydrophobicContact CG-CG1 4.48Å; F266-I351 HydrophobicContact CG-CG2 3.52Å; F266-I351 HydrophobicContact CZ-CD1 3.7Å; F266-I351 HydrophobicContact CZ-CG1 3.54Å; F266-I351 HydrophobicContact CZ-CG2 4.34Å; F266-Y354 AromaticContact CD2-CD1 3.66Å; F266-Y354 HydrophobicContact CD2-CD1 3.66Å; F266-Y354 AromaticContact CD2-CE1 3.54Å; F266-Y354 HydrophobicContact CD2-CE1 3.54Å; F266-Y354 HydrophobicContact CE2-CD1 4.06Å; F266-Y354 HydrophobicContact CE2-CE1 4.06Å; F266-F418 HydrophobicContact CE1-CE1 4.14Å; F266-F418 HydrophobicContact CE1-CZ 4.01Å; F266-F418 HydrophobicContact CE2-CE1 4.35Å; F266-F418 HydrophobicContact CZ-CD1 4.48Å; F266-F418 AromaticContact CZ-CE1 3.64Å; F266-F418 HydrophobicContact CZ-CE1 3.64Å; F266-F418 AromaticContact CZ-CZ 3.7Å; F266-F418 HydrophobicContact CZ-CZ 3.7Å
267L79.9Confident86.5Confident57 Ų5724 Ų2430%0.29812%0.124SC..Hα-helixtrans-74.1-42172.5-170.374.7000110.7R169 F264 V265R169-L267 VanDerWaalsContact NH2-CD1 3.27Å; F264-L267 HydrophobicContact CD1-CD2 4.47Å; F264-L267 HydrophobicContact CD2-CD2 4.21Å; F264-L267 HydrophobicContact CE1-CD2 4.4Å; F264-L267 HydrophobicContact CE2-CD2 4.15Å; F264-L267 HydrophobicContact CG-CD2 4.38Å; F264-L267 HydrophobicContact CZ-CD2 4.24Å; F264-L267 WeakPolarHBondContact O-CA 3.42Å; F264-L267 WeakPolarHBondContact O-CB 3.21Å; F264-L267 PolarHBondContact O-N 2.91Å; V265-L267 VanDerWaalsContact C-N 3.29Å; V265-L267 PolarHBondContact O-N 2.96Å
268V78.1Confident85.8Confident51 Ų5125 Ų2531%0.30915%0.147SC..Hα-helixtrans-97.8-51.9-177-179.40000110.9F264 Q272F264-V268 HydrophobicContact CD1-CG2 3.9Å; F264-V268 HydrophobicContact CE1-CG2 4.46Å; F264-V268 PolarHBondContact O-N 2.95Å; V268-Q272 PolarHBondContact O-OE1 2.95Å
269Y80.9Confident85.1Confident20 Ų2025.7 Ų25.78%0.07815%0.15CC..SBendtrans-97.37.5-171.7-57.1-67.8000114.3V265 A271 Q272 Y273 E395 P396 F399 Y417V265-Y269 WeakPolarHBondContact O-CA 3.35Å; V265-Y269 WeakPolarHBondContact O-CB 3.38Å; V265-Y269 PolarHBondContact O-N 2.67Å; Y269-A271 VanDerWaalsContact C-N 3.28Å; Y269-A271 PolarHBondContact O-N 2.82Å; Y269-Q272 VanDerWaalsContact CA-OE1 3.23Å; Y269-Q272 PolarHBondContact O-N 3.49Å; Y269-Y273 PolarHBondContact O-N 3.12Å; Y269-E395 HydrophobicContact CE2-CG 4.1Å; Y269-P396 VanDerWaalsContact OH-CA 3.24Å; Y269-P396 WeakPolarHBondContact OH-CA 3.4Å; Y269-P396 WeakPolarHBondContact OH-CB 3.44Å; Y269-F399 AromaticContact CD1-CD1 3.86Å; Y269-F399 HydrophobicContact CD1-CD1 3.86Å; Y269-F399 AromaticContact CD1-CD2 3.74Å; Y269-F399 HydrophobicContact CD1-CD2 3.74Å; Y269-F399 AromaticContact CD1-CE1 3.73Å; Y269-F399 HydrophobicContact CD1-CE1 3.73Å; Y269-F399 AromaticContact CD1-CE2 3.6Å; Y269-F399 HydrophobicContact CD1-CE2 3.6Å; Y269-F399 AromaticContact CD1-CG 3.87Å; Y269-F399 HydrophobicContact CD1-CG 3.87Å; Y269-F399 AromaticContact CD1-CZ 3.6Å; Y269-F399 HydrophobicContact CD1-CZ 3.6Å; Y269-F399 HydrophobicContact CD2-CB 4.28Å; Y269-F399 AromaticContact CD2-CD2 3.63Å; Y269-F399 HydrophobicContact CD2-CD2 3.63Å; Y269-F399 HydrophobicContact CD2-CE2 4.13Å; Y269-F399 AromaticContact CD2-CG 3.97Å; Y269-F399 HydrophobicContact CD2-CG 3.97Å; Y269-F399 HydrophobicContact CE1-CB 4.21Å; Y269-F399 AromaticContact CE1-CD1 3.41Å; Y269-F399 HydrophobicContact CE1-CD1 3.41Å; Y269-F399 VanDerWaalsContact CE1-CD1 3.41Å; Y269-F399 AromaticContact CE1-CD2 3.95Å; Y269-F399 HydrophobicContact CE1-CD2 3.95Å; Y269-F399 AromaticContact CE1-CE1 3.65Å; Y269-F399 HydrophobicContact CE1-CE1 3.65Å; Y269-F399 HydrophobicContact CE1-CE2 4.16Å; Y269-F399 AromaticContact CE1-CG 3.57Å; Y269-F399 HydrophobicContact CE1-CG 3.57Å; Y269-F399 HydrophobicContact CE1-CZ 4.03Å; Y269-F399 HydrophobicContact CE2-CB 3.61Å; Y269-F399 HydrophobicContact CE2-CD1 4.35Å; Y269-F399 AromaticContact CE2-CD2 3.83Å; Y269-F399 HydrophobicContact CE2-CD2 3.83Å; Y269-F399 AromaticContact CE2-CG 3.66Å; Y269-F399 HydrophobicContact CE2-CG 3.66Å; Y269-F399 AromaticContact CG-CD2 3.57Å; Y269-F399 HydrophobicContact CG-CD2 3.57Å; Y269-F399 AromaticContact CG-CE2 3.59Å; Y269-F399 HydrophobicContact CG-CE2 3.59Å; Y269-F399 HydrophobicContact CG-CG 4.06Å; Y269-F399 HydrophobicContact CG-CZ 4.08Å; Y269-F399 AromaticContact CZ-CD1 3.69Å; Y269-F399 AromaticContact CZ-CD2 3.99Å; Y269-F399 AromaticContact CZ-CG 3.46Å; Y269-F399 VanDerWaalsContact CZ-CG 3.46Å; Y269-Y417 VanDerWaalsContact CD2-OH 3.32Å; Y269-Y417 WeakPolarHBondContact CD2-OH 3.41Å
270G81.8Confident83.9Confident3 Ų329.9 Ų29.93%0.03117%0.172CC..Hα-helixtrans-64.5-31.4-178.500000113.6Y274G270-Y274 PolarHBondContact O-N 2.94Å
271A77.6Confident82.6Confident30 Ų3032.2 Ų32.225%0.24818%0.184CC..Hα-helixtrans-71.6-46.4176.900000111.4Y269 Y273 Y274 Q275Y269-A271 VanDerWaalsContact C-N 3.28Å; Y269-A271 PolarHBondContact O-N 2.82Å; A271-Y273 VanDerWaalsContact C-N 3.29Å; A271-Y273 PolarHBondContact O-N 2.68Å; A271-Y274 PolarHBondContact O-N 2.9Å; A271-Y274 VanDerWaalsContact O-N 3.1Å; A271-Q275 PolarHBondContact O-N 3.23Å
272Q79Confident80.7Confident65 Ų6537.7 Ų37.730%0.30421%0.21SC..Hα-helixtrans-59.5-41.1175.1-67.388.3-18.200111.2V268 Y269 Y274 Q275 Y276 W414V268-Q272 PolarHBondContact O-OE1 2.95Å; Y269-Q272 VanDerWaalsContact CA-OE1 3.23Å; Y269-Q272 PolarHBondContact O-N 3.49Å; Q272-Y274 VanDerWaalsContact C-N 3.3Å; Q272-Y274 PolarHBondContact O-N 3.48Å; Q272-Q275 WeakPolarHBondContact O-CB 3.47Å; Q272-Q275 PolarHBondContact O-N 3.13Å; Q272-Y276 PolarHBondContact O-N 2.86Å; Q272-W414 HydrophobicContact CB-CH2 4.28Å; Q272-W414 HydrophobicContact CB-CZ2 4.41Å
273Y85.1Confident78.9Confident5 Ų541.1 Ų41.12%0.0224%0.238CC..Hα-helixtrans-63.7-35.5176.3-171.4-109.2000112.8F266 Y269 A271 Y276 L277 V336 H347 I351 W414 F418F266-Y273 AromaticContact CE1-CD1 3.73Å; F266-Y273 HydrophobicContact CE1-CD1 3.73Å; F266-Y273 HydrophobicContact CE1-CE1 4.25Å; F266-Y273 HydrophobicContact CE1-CG 4.04Å; Y269-Y273 PolarHBondContact O-N 3.12Å; A271-Y273 VanDerWaalsContact C-N 3.29Å; A271-Y273 PolarHBondContact O-N 2.68Å; Y273-Y276 AromaticContact CD2-CD1 3.94Å; Y273-Y276 HydrophobicContact CD2-CD1 3.94Å; Y273-Y276 AromaticContact CE2-CD1 3.68Å; Y273-Y276 HydrophobicContact CE2-CD1 3.68Å; Y273-Y276 HydrophobicContact CE2-CE1 4.02Å; Y273-Y276 WeakPolarHBondContact O-CB 3.28Å; Y273-Y276 PolarHBondContact O-N 3.05Å; Y273-L277 HydrophobicContact CD1-CD1 3.98Å; Y273-L277 HydrophobicContact CD1-CG 4.4Å; Y273-L277 HydrophobicContact CE1-CD1 3.59Å; Y273-L277 HydrophobicContact CE1-CD2 4.46Å; Y273-L277 HydrophobicContact CE1-CG 4.05Å; Y273-L277 WeakPolarHBondContact O-CG 3.29Å; Y273-L277 PolarHBondContact O-N 3.35Å; Y273-V336 HydrophobicContact CE1-CG1 4.45Å; Y273-V336 VanDerWaalsContact OH-CG1 3.31Å; Y273-V336 WeakPolarHBondContact OH-CG1 3.43Å; Y273-H347 HydrophobicContact CE1-CB 4.34Å; Y273-H347 AromaticContact CZ-ND1 3.86Å; Y273-H347 PolarHBondContact OH-CE1 3.45Å; Y273-H347 VanDerWaalsContact OH-CE1 3.24Å; Y273-H347 PolarHBondContact OH-ND1 3.16Å; Y273-I351 HydrophobicContact CD1-CD1 3.72Å; Y273-I351 HydrophobicContact CE1-CD1 3.67Å; Y273-W414 AromaticContact CD2-CD2 3.66Å; Y273-W414 HydrophobicContact CD2-CD2 3.66Å; Y273-W414 AromaticContact CD2-CE2 3.99Å; Y273-W414 AromaticContact CD2-CE3 3.5Å; Y273-W414 HydrophobicContact CD2-CE3 3.5Å; Y273-W414 HydrophobicContact CD2-CG 4.29Å; Y273-W414 HydrophobicContact CD2-CH2 4.04Å; Y273-W414 HydrophobicContact CD2-CZ2 4.18Å; Y273-W414 AromaticContact CD2-CZ3 3.7Å; Y273-W414 HydrophobicContact CD2-CZ3 3.7Å; Y273-W414 HydrophobicContact CE2-CB 4.48Å; Y273-W414 HydrophobicContact CE2-CD2 4.08Å; Y273-W414 HydrophobicContact CE2-CE3 4.09Å; Y273-W414 HydrophobicContact CE2-CG 4.26Å; Y273-W414 HydrophobicContact CG-CE3 4.47Å; Y273-W414 HydrophobicContact CG-CH2 4.46Å; Y273-W414 HydrophobicContact CG-CZ3 4.27Å; Y273-F418 HydrophobicContact CD2-CE2 4.13Å; Y273-F418 AromaticContact CD2-CZ 3.69Å; Y273-F418 HydrophobicContact CD2-CZ 3.69Å; Y273-F418 HydrophobicContact CE1-CZ 4.49Å; Y273-F418 AromaticContact CE2-CE2 3.47Å; Y273-F418 HydrophobicContact CE2-CE2 3.47Å; Y273-F418 VanDerWaalsContact CE2-CE2 3.47Å; Y273-F418 AromaticContact CE2-CZ 3.51Å; Y273-F418 HydrophobicContact CE2-CZ 3.51Å; Y273-F418 HydrophobicContact CG-CZ 4.25Å; Y273-F418 AromaticContact CZ-CE2 3.76Å; Y273-F418 AromaticContact CZ-CZ 3.95Å
274Y84.1Confident77.4Confident0 Ų040.6 Ų40.60%023%0.234CC..Hα-helixtrans-72.5-34.9176-69.5-12.2000112.9G270 A271 Q272 Y276 L277 G278 M279 N288 K291 V348 I351G270-Y274 PolarHBondContact O-N 2.94Å; A271-Y274 PolarHBondContact O-N 2.9Å; A271-Y274 VanDerWaalsContact O-N 3.1Å; Q272-Y274 VanDerWaalsContact C-N 3.3Å; Q272-Y274 PolarHBondContact O-N 3.48Å; Y274-Y276 VanDerWaalsContact C-N 3.33Å; Y274-L277 HydrophobicContact CD1-CD1 4.26Å; Y274-L277 CarbonylContact O-C 3.46Å; Y274-L277 PolarHBondContact O-N 2.72Å; Y274-L277 VanDerWaalsContact O-N 3.15Å; Y274-G278 PolarHBondContact O-N 3.29Å; Y274-M279 WeakPolarHBondContact O-CB 3.26Å; Y274-M279 PolarHBondContact O-N 3.34Å; Y274-N288 VanDerWaalsContact CE2-CG 3.49Å; Y274-N288 VanDerWaalsContact CE2-ND2 3.25Å; Y274-N288 WeakPolarHBondContact CE2-ND2 3.47Å; Y274-N288 WeakPolarHBondContact CE2-OD1 3.36Å; Y274-K291 WeakPolarHBondContact OH-CE 3.44Å; Y274-K291 PolarHBondContact OH-NZ 3.35Å; Y274-V348 HydrophobicContact CE1-CG2 3.9Å; Y274-I351 HydrophobicContact CE1-CD1 3.91Å
275Q80.3Confident76.3Confident103 Ų10341.8 Ų41.848%0.48125%0.249SC..Hα-helixtrans-62.1-43.5168.9-70.9174.2-4600110.9A271 Q272 L277 G278 I281A271-Q275 PolarHBondContact O-N 3.23Å; Q272-Q275 WeakPolarHBondContact O-CB 3.47Å; Q272-Q275 PolarHBondContact O-N 3.13Å; Q275-L277 PolarHBondContact O-N 2.91Å; Q275-G278 WeakPolarHBondContact O-CA 3.26Å; Q275-G278 PolarHBondContact O-N 3.15Å; Q275-I281 VanDerWaalsContact CD-CD1 3.47Å; Q275-I281 HydrophobicContact CG-CD1 3.46Å; Q275-I281 VanDerWaalsContact CG-CD1 3.46Å; Q275-I281 HydrophobicContact CG-CG1 3.85Å
276Y83.1Confident75.2Confident19 Ų1950.8 Ų50.88%0.07528%0.283CS..Hα-helixtrans-55.5-39.4171.1167.2-105.4000111.5Q272 Y273 Y274 G278 R341 E408 D409 W414Q272-Y276 PolarHBondContact O-N 2.86Å; Y273-Y276 AromaticContact CD2-CD1 3.94Å; Y273-Y276 HydrophobicContact CD2-CD1 3.94Å; Y273-Y276 AromaticContact CE2-CD1 3.68Å; Y273-Y276 HydrophobicContact CE2-CD1 3.68Å; Y273-Y276 HydrophobicContact CE2-CE1 4.02Å; Y273-Y276 WeakPolarHBondContact O-CB 3.28Å; Y273-Y276 PolarHBondContact O-N 3.05Å; Y274-Y276 VanDerWaalsContact C-N 3.33Å; Y276-G278 PolarHBondContact O-N 3.14Å; Y276-R341 PolarHBondContact O-NE 3.37Å; Y276-R341 PolarHBondContact O-NH2 3.03Å; Y276-E408 WeakPolarHBondContact CD2-O 3.27Å; Y276-D409 WeakPolarHBondContact CE2-O 3.43Å; Y276-W414 AromaticContact CD1-CD1 3.98Å; Y276-W414 HydrophobicContact CD1-CG 4.46Å; Y276-W414 AromaticContact CD2-CD1 3.88Å; Y276-W414 AromaticContact CD2-NE1 3.73Å; Y276-W414 HydrophobicContact CE1-CG 4.47Å; Y276-W414 AromaticContact CE2-CD1 3.94Å; Y276-W414 AromaticContact CG-CD1 3.89Å; Y276-W414 AromaticContact CG-NE1 3.59Å
277L85.1Confident74.3Confident11 Ų1152.2 Ų52.26%0.05829%0.291CS..THydrogen-bonded Turntrans-74.11174.8-67.8176.8000114.8Y273 Y274 Q275 M279 R341 P344 H347Y273-L277 HydrophobicContact CD1-CD1 3.98Å; Y273-L277 HydrophobicContact CD1-CG 4.4Å; Y273-L277 HydrophobicContact CE1-CD1 3.59Å; Y273-L277 HydrophobicContact CE1-CD2 4.46Å; Y273-L277 HydrophobicContact CE1-CG 4.05Å; Y273-L277 WeakPolarHBondContact O-CG 3.29Å; Y273-L277 PolarHBondContact O-N 3.35Å; Y274-L277 HydrophobicContact CD1-CD1 4.26Å; Y274-L277 CarbonylContact O-C 3.46Å; Y274-L277 PolarHBondContact O-N 2.72Å; Y274-L277 VanDerWaalsContact O-N 3.15Å; Q275-L277 PolarHBondContact O-N 2.91Å; L277-M279 HydrophobicContact CB-CG 4.01Å; L277-M279 HydrophobicContact CB-SD 4.37Å; L277-M279 HydrophobicContact CD1-SD 4.34Å; L277-M279 PolarHBondContact O-N 2.87Å; L277-R341 HydrophobicContact CD2-CG 4.26Å; L277-P344 HydrophobicContact CB-CB 4.18Å; L277-H347 HydrophobicContact CD1-CB 3.54Å
278G82.2Confident73.7Confident66 Ų6651.7 Ų51.768%0.6829%0.288SS*.THydrogen-bonded Turntrans70.619-17600000113.6Y274 Q275 Y276Y274-G278 PolarHBondContact O-N 3.29Å; Q275-G278 WeakPolarHBondContact O-CA 3.26Å; Q275-G278 PolarHBondContact O-N 3.15Å; Y276-G278 PolarHBondContact O-N 3.14Å
279M80.4Confident73.4Confident15 Ų1550 Ų507%0.07428%0.279CS..  trans-89.1133.9-179.4-63.4-174.669.900111.1Y274 L277 I281 N284 P344 Y345 V348Y274-M279 WeakPolarHBondContact O-CB 3.26Å; Y274-M279 PolarHBondContact O-N 3.34Å; L277-M279 HydrophobicContact CB-CG 4.01Å; L277-M279 HydrophobicContact CB-SD 4.37Å; L277-M279 HydrophobicContact CD1-SD 4.34Å; L277-M279 PolarHBondContact O-N 2.87Å; M279-I281 PolarHBondContact O-N 3.09Å; M279-N284 HydrophobicContact CE-CB 4.26Å; M279-N284 VanDerWaalsContact CE-CG 3.42Å; M279-N284 WeakPolarHBondContact CE-ND2 3.19Å; M279-P344 HydrophobicContact CG-CB 3.64Å; M279-P344 HydrophobicContact CG-CG 4.48Å; M279-P344 HydrophobicContact SD-CB 3.6Å; M279-Y345 HydrophobicContact CE-CD1 4.47Å; M279-Y345 HydrophobicContact CE-CE1 4.29Å; M279-V348 HydrophobicContact CE-CG2 3.77Å; M279-V348 HydrophobicContact SD-CG2 3.73Å
280D71.2Confident73.3Confident93 Ų9352.9 Ų52.950%0.49729%0.294SS..  trans-64125.8169.6174.735.5000110.6Q282 A283 N284D280-Q282 VanDerWaalsContact C-N 3.27Å; D280-Q282 PolarHBondContact O-N 3.39Å; D280-Q282 PolarHBondContact OD1-N 2.84Å; D280-A283 HydrophobicContact CB-CB 4.21Å; D280-A283 WeakPolarHBondContact OD2-CB 3.38Å; D280-A283 PolarHBondContact OD2-N 3.27Å; D280-N284 PolarHBondContact O-N 3.48Å; D280-N284 PolarHBondContact O-ND2 3.28Å
281I64.7Low73.4Confident58 Ų5853.4 Ų53.430%0.29730%0.295SS..THydrogen-bonded Turntrans-65.5-34.5-178-61.5161.9000110.5Q275 M279 A285Q275-I281 VanDerWaalsContact CD-CD1 3.47Å; Q275-I281 HydrophobicContact CG-CD1 3.46Å; Q275-I281 VanDerWaalsContact CG-CD1 3.46Å; Q275-I281 HydrophobicContact CG-CG1 3.85Å; M279-I281 PolarHBondContact O-N 3.09Å; I281-A285 PolarHBondContact O-N 3.5Å
282Q55.6Low73.6Confident129 Ų12952.5 Ų52.560%0.60329%0.289SS*.THydrogen-bonded Turntrans-77.3-45.2-174-59.2-147.7-67.100112.4D280 N284 A285D280-Q282 VanDerWaalsContact C-N 3.27Å; D280-Q282 PolarHBondContact O-N 3.39Å; D280-Q282 PolarHBondContact OD1-N 2.84Å; Q282-N284 PolarHBondContact O-N 3.44Å; Q282-A285 PolarHBondContact O-N 2.87Å
283A56Low73.9Confident72 Ų7254.3 Ų54.360%0.59529%0.294SS*.THydrogen-bonded Turntrans-59.2-26.3174.300000112.8D280D280-A283 HydrophobicContact CB-CB 4.21Å; D280-A283 WeakPolarHBondContact OD2-CB 3.38Å; D280-A283 PolarHBondContact OD2-N 3.27Å
284N59.9Low74.2Confident14 Ų1457.1 Ų57.18%0.07531%0.309CS..THydrogen-bonded Turntrans-105.99.3-173.4-63.3-55.4000114.8M279 D280 Q282 W286 L287 N288M279-N284 HydrophobicContact CE-CB 4.26Å; M279-N284 VanDerWaalsContact CE-CG 3.42Å; M279-N284 WeakPolarHBondContact CE-ND2 3.19Å; D280-N284 PolarHBondContact O-N 3.48Å; D280-N284 PolarHBondContact O-ND2 3.28Å; Q282-N284 PolarHBondContact O-N 3.44Å; N284-W286 PolarHBondContact O-N 3.34Å; N284-L287 HydrophobicContact CB-CD1 4.3Å; N284-L287 WeakPolarHBondContact O-CB 3.28Å; N284-L287 PolarHBondContact O-N 2.95Å; N284-L287 VanDerWaalsContact O-N 3.1Å; N284-L287 VanDerWaalsContact OD1-CD1 3.3Å; N284-L287 WeakPolarHBondContact OD1-CD1 3.09Å; N284-N288 PolarHBondContact O-N 2.87Å; N284-N288 VanDerWaalsContact O-N 3.11Å
285A62.9Low74.5Confident53 Ų5358.3 Ų58.344%0.43831%0.314SS..Hα-helixtrans-57.7-36.3175.600000112.4I281 Q282 N288 S289I281-A285 PolarHBondContact O-N 3.5Å; Q282-A285 PolarHBondContact O-N 2.87Å; A285-N288 PolarHBondContact O-N 3.48Å; A285-S289 PolarHBondContact O-N 3.46Å; A285-S289 PolarHBondContact O-OG 3.31Å
286W65.6Low75Confident190 Ų19055.7 Ų55.772%0.7230%0.303SS*.Hα-helixtrans-63.9-41.1175.6-172.8-114.7000112.6N284 N288 S289 M290N284-W286 PolarHBondContact O-N 3.34Å; W286-N288 VanDerWaalsContact C-N 3.3Å; W286-N288 PolarHBondContact O-N 3.03Å; W286-S289 PolarHBondContact O-N 3.22Å; W286-M290 PolarHBondContact O-N 3.33Å
287L67.4Low75.4Confident43 Ų4356.9 Ų56.923%0.22532%0.321CS..Hα-helixtrans-65.8-33.9176.2-67.8172.9000111.8N284 M290 V348N284-L287 HydrophobicContact CB-CD1 4.3Å; N284-L287 WeakPolarHBondContact O-CB 3.28Å; N284-L287 PolarHBondContact O-N 2.95Å; N284-L287 VanDerWaalsContact O-N 3.1Å; N284-L287 VanDerWaalsContact OD1-CD1 3.3Å; N284-L287 WeakPolarHBondContact OD1-CD1 3.09Å; L287-M290 HydrophobicContact CD2-CE 3.97Å; L287-M290 WeakPolarHBondContact O-CB 3.38Å; L287-V348 HydrophobicContact CB-CG1 4.13Å; L287-V348 HydrophobicContact CD1-CG1 4.23Å
288N67.8Low75.9Confident45 Ų4557.8 Ų57.824%0.24133%0.327CS..Hα-helixtrans-68.5-41.6173.3-92.8-35.2000112.7Y274 N284 A285 W286 M290 K291Y274-N288 VanDerWaalsContact CE2-CG 3.49Å; Y274-N288 VanDerWaalsContact CE2-ND2 3.25Å; Y274-N288 WeakPolarHBondContact CE2-ND2 3.47Å; Y274-N288 WeakPolarHBondContact CE2-OD1 3.36Å; N284-N288 PolarHBondContact O-N 2.87Å; N284-N288 VanDerWaalsContact O-N 3.11Å; A285-N288 PolarHBondContact O-N 3.48Å; W286-N288 VanDerWaalsContact C-N 3.3Å; W286-N288 PolarHBondContact O-N 3.03Å; N288-M290 VanDerWaalsContact C-N 3.31Å; N288-M290 PolarHBondContact O-N 3.25Å; N288-K291 PolarHBondContact O-N 3.06Å; N288-K291 PolarHBondContact OD1-NZ 2.85Å
289S70.8Confident76.4Confident17 Ų1755 Ų5512%0.11930%0.296CS..Hα-helixtrans-65.7-33.2176-63.30000112.6A285 W286 K291 G292 Y293A285-S289 PolarHBondContact O-N 3.46Å; A285-S289 PolarHBondContact O-OG 3.31Å; W286-S289 PolarHBondContact O-N 3.22Å; S289-K291 PolarHBondContact O-N 3.42Å; S289-G292 PolarHBondContact O-N 3.4Å; S289-Y293 VanDerWaalsContact O-CD2 3.26Å; S289-Y293 WeakPolarHBondContact O-CD2 3.39Å; S289-Y293 PolarHBondContact O-N 2.94Å
290M79.4Confident77Confident80 Ų8057.5 Ų57.539%0.39431%0.312SS..Hα-helixtrans-55.1-37.1177.3-173.4169.969.700112.9W286 L287 N288 G292 Y293 L294 T352W286-M290 PolarHBondContact O-N 3.33Å; L287-M290 HydrophobicContact CD2-CE 3.97Å; L287-M290 WeakPolarHBondContact O-CB 3.38Å; N288-M290 VanDerWaalsContact C-N 3.31Å; N288-M290 PolarHBondContact O-N 3.25Å; M290-G292 VanDerWaalsContact C-N 3.3Å; M290-G292 PolarHBondContact O-N 3.45Å; M290-Y293 PolarHBondContact O-N 3.02Å; M290-L294 WeakPolarHBondContact O-CB 3.32Å; M290-L294 PolarHBondContact O-N 3.39Å; M290-T352 HydrophobicContact CE-CG2 4.25Å
291K82.8Confident78.1Confident13 Ų1359.3 Ų59.36%0.05732%0.316CS..Hα-helixtrans-57.7-43177.3-55.2178-175.6166.20111.9Y274 N288 S289 F295 I351 T352 Q355Y274-K291 WeakPolarHBondContact OH-CE 3.44Å; Y274-K291 PolarHBondContact OH-NZ 3.35Å; N288-K291 PolarHBondContact O-N 3.06Å; N288-K291 PolarHBondContact OD1-NZ 2.85Å; S289-K291 PolarHBondContact O-N 3.42Å; K291-F295 VanDerWaalsContact O-CB 3.29Å; K291-F295 WeakPolarHBondContact O-CB 3.42Å; K291-F295 PolarHBondContact O-N 2.98Å; K291-I351 HydrophobicContact CD-CG2 4.22Å; K291-I351 VanDerWaalsContact NZ-CG2 3.3Å; K291-T352 HydrophobicContact CG-CG2 4.29Å; K291-Q355 HydrophobicContact CB-CB 4.33Å; K291-Q355 HydrophobicContact CD-CG 4.32Å
292G82.7Confident79.5Confident12 Ų1256.6 Ų56.612%0.12430%0.302CS..Hα-helixtrans-67-43.3-18000000112.6S289 M290 F295 I296S289-G292 PolarHBondContact O-N 3.4Å; M290-G292 VanDerWaalsContact C-N 3.3Å; M290-G292 PolarHBondContact O-N 3.45Å; G292-F295 PolarHBondContact O-N 2.92Å; G292-I296 WeakPolarHBondContact O-CG1 3.23Å; G292-I296 PolarHBondContact O-N 3.07Å; G292-I296 VanDerWaalsContact O-N 3.08Å
293Y85.3Confident81.2Confident102 Ų10250.4 Ų50.440%0.427%0.273SS..Hα-helixtrans-65.7-43.2176.8-63.9-59.8000112.2V171 S289 M290 F295 I296 G297V171-Y293 HydrophobicContact CG2-CE1 4.3Å; S289-Y293 VanDerWaalsContact O-CD2 3.26Å; S289-Y293 WeakPolarHBondContact O-CD2 3.39Å; S289-Y293 PolarHBondContact O-N 2.94Å; M290-Y293 PolarHBondContact O-N 3.02Å; Y293-F295 VanDerWaalsContact C-N 3.35Å; Y293-I296 PolarHBondContact O-N 3.13Å; Y293-G297 PolarHBondContact O-N 2.87Å
294L90.5Very high82.9Confident65 Ų6549.5 Ų49.534%0.3426%0.257SS..Hα-helixtrans-64.2-41.8177.2-173.162.5000111.3M290 I296 G297 V298 T352 A356M290-L294 WeakPolarHBondContact O-CB 3.32Å; M290-L294 PolarHBondContact O-N 3.39Å; L294-I296 VanDerWaalsContact C-N 3.34Å; L294-I296 PolarHBondContact O-N 3.29Å; L294-G297 PolarHBondContact O-N 3.16Å; L294-V298 HydrophobicContact CD1-CG2 4.28Å; L294-V298 HydrophobicContact CG-CG2 4.33Å; L294-V298 WeakPolarHBondContact O-CB 3.42Å; L294-V298 WeakPolarHBondContact O-CG2 3.3Å; L294-V298 PolarHBondContact O-N 3.09Å; L294-T352 HydrophobicContact CD2-CG2 3.71Å; L294-A356 HydrophobicContact CB-CB 4.39Å; L294-A356 HydrophobicContact CD2-CB 3.63Å; L294-A356 HydrophobicContact CG-CB 3.69Å
295F90.9Very high84.4Confident24 Ų2449.5 Ų49.511%0.10526%0.259CS..Hα-helixtrans-56.5-45.4173.7170.8-93.7000112.2A167 K291 G292 Y293 V298 R299 Q355 F358A167-F295 HydrophobicContact CB-CD1 3.68Å; A167-F295 HydrophobicContact CB-CE1 3.83Å; K291-F295 VanDerWaalsContact O-CB 3.29Å; K291-F295 WeakPolarHBondContact O-CB 3.42Å; K291-F295 PolarHBondContact O-N 2.98Å; G292-F295 PolarHBondContact O-N 2.92Å; Y293-F295 VanDerWaalsContact C-N 3.35Å; F295-V298 PolarHBondContact O-N 3.15Å; F295-R299 WeakPolarHBondContact O-CB 3.38Å; F295-R299 PolarHBondContact O-N 3.24Å; F295-Q355 WeakPolarHBondContact CD2-O 3.3Å; F295-F358 HydrophobicContact CD2-CB 4.45Å; F295-F358 HydrophobicContact CE2-CB 4.01Å
296I90.5Very high85.8Confident49 Ų4947 Ų4725%0.25124%0.238SC..Hα-helixtrans-61.8-47.1177-67.7167.7000110.6A167 V171 G292 Y293 L294 R299 V300A167-I296 HydrophobicContact CB-CD1 3.75Å; A167-I296 HydrophobicContact CB-CG1 3.54Å; V171-I296 HydrophobicContact CG2-CD1 3.43Å; V171-I296 VanDerWaalsContact CG2-CD1 3.43Å; G292-I296 WeakPolarHBondContact O-CG1 3.23Å; G292-I296 PolarHBondContact O-N 3.07Å; G292-I296 VanDerWaalsContact O-N 3.08Å; Y293-I296 PolarHBondContact O-N 3.13Å; L294-I296 VanDerWaalsContact C-N 3.34Å; L294-I296 PolarHBondContact O-N 3.29Å; I296-R299 PolarHBondContact O-N 3.25Å; I296-V300 WeakPolarHBondContact O-CG2 3.19Å; I296-V300 PolarHBondContact O-N 2.85Å
297G91.7Very high86.9Confident44 Ų4439.2 Ų39.245%0.45421%0.211SC..Hα-helixtrans-59.5-48.6178.900000112.6Y293 L294 R299 V300 F301Y293-G297 PolarHBondContact O-N 2.87Å; L294-G297 PolarHBondContact O-N 3.16Å; G297-R299 VanDerWaalsContact C-N 3.34Å; G297-R299 PolarHBondContact O-N 3.28Å; G297-V300 PolarHBondContact O-N 2.87Å; G297-F301 WeakPolarHBondContact O-CB 3.24Å; G297-F301 PolarHBondContact O-N 3.24Å
298V94.8Very high87.9Confident30 Ų3046.2 Ų46.218%0.18224%0.235CC..Hα-helixtrans-63.1-40.1177171.90000111.3L294 F295 F301 A302 A356 F360L294-V298 HydrophobicContact CD1-CG2 4.28Å; L294-V298 HydrophobicContact CG-CG2 4.33Å; L294-V298 WeakPolarHBondContact O-CB 3.42Å; L294-V298 WeakPolarHBondContact O-CG2 3.3Å; L294-V298 PolarHBondContact O-N 3.09Å; F295-V298 PolarHBondContact O-N 3.15Å; V298-F301 PolarHBondContact O-N 3.08Å; V298-A302 VanDerWaalsContact O-CB 3.26Å; V298-A302 WeakPolarHBondContact O-CB 3.49Å; V298-A302 PolarHBondContact O-N 3.37Å; V298-A356 VanDerWaalsContact CG1-O 3.29Å; V298-A356 WeakPolarHBondContact CG1-O 3.46Å; V298-A356 HydrophobicContact CG2-CB 4.21Å; V298-F360 HydrophobicContact CG1-CD2 3.56Å; V298-F360 HydrophobicContact CG1-CE2 3.25Å; V298-F360 HydrophobicContact CG1-CZ 4.02Å
299R93.9Very high88.8Confident6 Ų646.6 Ų46.62%0.02324%0.236CC..Hα-helixtrans-64.3-43.4178.9-167.8-176.9-160.282.97.3112.5A160 S163 G164 F295 I296 G297 A302 G303 G359 N361 C362A160-R299 HydrophobicContact CB-CG 4.29Å; A160-R299 PolarHBondContact O-NE 3.49Å; S163-R299 PolarHBondContact OG-NH2 2.99Å; G164-R299 VanDerWaalsContact CA-CD 3.49Å; G164-R299 VanDerWaalsContact CA-NE 3.33Å; F295-R299 WeakPolarHBondContact O-CB 3.38Å; F295-R299 PolarHBondContact O-N 3.24Å; I296-R299 PolarHBondContact O-N 3.25Å; G297-R299 VanDerWaalsContact C-N 3.34Å; G297-R299 PolarHBondContact O-N 3.28Å; R299-A302 PolarHBondContact O-N 3.42Å; R299-G303 PolarHBondContact O-N 2.87Å; R299-G359 WeakPolarHBondContact CA-O 3.26Å; R299-N361 VanDerWaalsContact CZ-OD1 3.23Å; R299-N361 PolarHBondContact NH1-OD1 3.43Å; R299-N361 PolarHBondContact NH2-OD1 3.28Å; R299-C362 HydrophobicContact CG-CB 4.41Å
300V92Very high89.4Confident68 Ų6856.8 Ų56.841%0.41227%0.272SS..Hα-helixtrans-63.7-45.9175.3173.10000110.3M157 I296 G297 A302 G303 I304M157-V300 HydrophobicContact CE-CG1 4.35Å; I296-V300 WeakPolarHBondContact O-CG2 3.19Å; I296-V300 PolarHBondContact O-N 2.85Å; G297-V300 PolarHBondContact O-N 2.87Å; V300-A302 PolarHBondContact O-N 3.22Å; V300-G303 PolarHBondContact O-N 3.33Å; V300-I304 HydrophobicContact CG1-CD1 4.04Å; V300-I304 WeakPolarHBondContact O-CG1 3.46Å; V300-I304 PolarHBondContact O-N 3.36Å
301F94.4Very high89.7Confident132 Ų13259 Ų5958%0.57929%0.29SS*.Hα-helixtrans-57.5-47.8175172.1-97.5000111.7G297 V298 G303 I304 A305 F360G297-F301 WeakPolarHBondContact O-CB 3.24Å; G297-F301 PolarHBondContact O-N 3.24Å; V298-F301 PolarHBondContact O-N 3.08Å; F301-G303 PolarHBondContact O-N 3.04Å; F301-I304 PolarHBondContact O-N 2.93Å; F301-A305 HydrophobicContact CE1-CB 4.43Å; F301-A305 HydrophobicContact CZ-CB 4.5Å; F301-A305 VanDerWaalsContact O-CB 3.26Å; F301-A305 WeakPolarHBondContact O-CB 3.36Å; F301-A305 PolarHBondContact O-N 3.46Å; F301-F360 HydrophobicContact CD1-CE1 4.38Å; F301-F360 HydrophobicContact CD1-CZ 4.27Å; F301-F360 HydrophobicContact CE1-CE1 4.33Å; F301-F360 HydrophobicContact CE1-CZ 4.31Å
302A94.5Very high90Very high0 Ų061.9 Ų61.90%031%0.306CS..Hα-helixtrans-62.9-40.2-179.800000112.3V298 R299 V300 A305 S306 F321 F360V298-A302 VanDerWaalsContact O-CB 3.26Å; V298-A302 WeakPolarHBondContact O-CB 3.49Å; V298-A302 PolarHBondContact O-N 3.37Å; R299-A302 PolarHBondContact O-N 3.42Å; V300-A302 PolarHBondContact O-N 3.22Å; A302-A305 PolarHBondContact O-N 2.87Å; A302-S306 VanDerWaalsContact O-CB 3.28Å; A302-S306 WeakPolarHBondContact O-CB 3.13Å; A302-S306 PolarHBondContact O-N 2.97Å; A302-F321 HydrophobicContact CB-CD1 4.32Å; A302-F321 HydrophobicContact CB-CE1 3.99Å; A302-F321 WeakPolarHBondContact O-CE1 3.36Å; A302-F360 HydrophobicContact CB-CB 4.39Å; A302-F360 HydrophobicContact CB-CD1 3.6Å; A302-F360 HydrophobicContact CB-CE1 4Å; A302-F360 HydrophobicContact CB-CG 3.99Å
303G91.6Very high90.4Very high0 Ų065.4 Ų65.40%033%0.327CS..Hα-helixtrans-59.7-49.7174.100000112.3R299 V300 F301 S306 D307R299-G303 PolarHBondContact O-N 2.87Å; V300-G303 PolarHBondContact O-N 3.33Å; F301-G303 PolarHBondContact O-N 3.04Å; G303-S306 PolarHBondContact O-N 2.87Å; G303-D307 PolarHBondContact O-N 3.24Å
304I90.9Very high90.6Very high52 Ų5264.3 Ų64.327%0.26733%0.325SS..Hα-helixtrans-61.1-47.2176.8-64.7170.6000110.8M157 V300 F301 D307 R308M157-I304 HydrophobicContact CE-CD1 3.71Å; M157-I304 HydrophobicContact CE-CG1 3.25Å; M157-I304 HydrophobicContact SD-CG1 3.58Å; M157-I304 VanDerWaalsContact SD-CG1 3.58Å; V300-I304 HydrophobicContact CG1-CD1 4.04Å; V300-I304 WeakPolarHBondContact O-CG1 3.46Å; V300-I304 PolarHBondContact O-N 3.36Å; F301-I304 PolarHBondContact O-N 2.93Å; I304-D307 PolarHBondContact O-N 3.02Å; I304-R308 HydrophobicContact CG2-CG 4.12Å; I304-R308 WeakPolarHBondContact O-CB 3.45Å; I304-R308 WeakPolarHBondContact O-CG 3.19Å; I304-R308 PolarHBondContact O-N 3.13Å
305A92.8Very high90.7Very high14 Ų1465 Ų6512%0.11633%0.325CS..Hα-helixtrans-63.5-42.9-177.600000111.4F301 A302 D307 R308 I309 F321F301-A305 HydrophobicContact CE1-CB 4.43Å; F301-A305 HydrophobicContact CZ-CB 4.5Å; F301-A305 VanDerWaalsContact O-CB 3.26Å; F301-A305 WeakPolarHBondContact O-CB 3.36Å; F301-A305 PolarHBondContact O-N 3.46Å; A302-A305 PolarHBondContact O-N 2.87Å; A305-D307 PolarHBondContact O-N 3.43Å; A305-R308 PolarHBondContact O-N 3.47Å; A305-I309 HydrophobicContact CB-CD1 4.17Å; A305-I309 WeakPolarHBondContact O-CB 2.87Å; A305-I309 WeakPolarHBondContact O-CD1 3.38Å; A305-I309 WeakPolarHBondContact O-CG1 3.47Å; A305-I309 PolarHBondContact O-N 3.44Å; A305-F321 HydrophobicContact CB-CE1 4.31Å; A305-F321 HydrophobicContact CB-CZ 3.82Å
306S92.1Very high90.7Very high0 Ų066.3 Ų66.30%034%0.337CS..Hα-helixtrans-59.3-35179.8-173.40000112.8A302 G303 K317 K367A302-S306 VanDerWaalsContact O-CB 3.28Å; A302-S306 WeakPolarHBondContact O-CB 3.13Å; A302-S306 PolarHBondContact O-N 2.97Å; G303-S306 PolarHBondContact O-N 2.87Å; S306-K317 PolarHBondContact O-NZ 3.17Å; S306-K367 PolarHBondContact O-NZ 3.18Å; S306-K367 WeakPolarHBondContact OG-CD 3.41Å; S306-K367 PolarHBondContact OG-NZ 2.99Å
307D88.6Confident90.9Very high27 Ų2764 Ų6414%0.14433%0.326CS..Hα-helixtrans-89.2-31.8-179-66-17.3000112.9E154 G156 M157 G303 I304 A305 K367E154-D307 VanDerWaalsContact CA-OD2 3.22Å; E154-D307 WeakPolarHBondContact CA-OD2 3.24Å; G156-D307 WeakPolarHBondContact CA-OD1 3.37Å; G156-D307 PolarHBondContact N-OD1 3.36Å; G156-D307 VanDerWaalsContact N-OD1 3.13Å; G156-D307 PolarHBondContact N-OD2 3.36Å; M157-D307 VanDerWaalsContact CB-OD2 3.3Å; M157-D307 WeakPolarHBondContact CB-OD2 3.28Å; M157-D307 PolarHBondContact N-OD2 3.05Å; G303-D307 PolarHBondContact O-N 3.24Å; I304-D307 PolarHBondContact O-N 3.02Å; A305-D307 PolarHBondContact O-N 3.43Å; D307-K367 IonicContact OD1-NZ 3.45Å; D307-K367 PolarHBondContact OD1-NZ 3.4Å
308R87.4Confident91Very high191 Ų19162 Ų6272%0.72130%0.304SS*.Hα-helixtrans-84.4-27.6-178.9-72-170.2-178.7173.31.1114.5I304 A305 R310I304-R308 HydrophobicContact CG2-CG 4.12Å; I304-R308 WeakPolarHBondContact O-CB 3.45Å; I304-R308 WeakPolarHBondContact O-CG 3.19Å; I304-R308 PolarHBondContact O-N 3.13Å; A305-R308 PolarHBondContact O-N 3.47Å; R308-R310 PolarHBondContact O-N 3.03Å; R308-R310 VanDerWaalsContact O-N 3.09Å
309I88.4Confident91Very high53 Ų5363.9 Ų63.927%0.27231%0.308SS..  trans-68110.9177.6-66.2165.4000108.5A305 L312 K317 F321A305-I309 HydrophobicContact CB-CD1 4.17Å; A305-I309 WeakPolarHBondContact O-CB 2.87Å; A305-I309 WeakPolarHBondContact O-CD1 3.38Å; A305-I309 WeakPolarHBondContact O-CG1 3.47Å; A305-I309 PolarHBondContact O-N 3.44Å; I309-L312 HydrophobicContact CG2-CB 4.39Å; I309-L312 HydrophobicContact CG2-CD1 4.43Å; I309-L312 HydrophobicContact CG2-CG 4.42Å; I309-K317 HydrophobicContact CB-CD 4.02Å; I309-K317 HydrophobicContact CG2-CD 3.87Å; I309-K317 HydrophobicContact CG2-CG 4.43Å; I309-K317 VanDerWaalsContact O-CD 3.27Å; I309-K317 WeakPolarHBondContact O-CD 3.1Å; I309-K317 WeakPolarHBondContact O-CE 3.19Å; I309-K317 PolarHBondContact O-NZ 3.26Å; I309-F321 HydrophobicContact CD1-CE2 4.17Å; I309-F321 HydrophobicContact CD1-CZ 4.24Å
310R82.6Confident91.1Very high230 Ų23067.2 Ų67.287%0.86833%0.326SS*.  trans-108.2-7.8177.2-66.2-177.4-177.7170.81.7113.6R308 L312R308-R310 PolarHBondContact O-N 3.03Å; R308-R310 VanDerWaalsContact O-N 3.09Å; R310-L312 VanDerWaalsContact C-N 3.3Å; R310-L312 PolarHBondContact O-N 3.19Å
311T86.4Confident91.2Very high128 Ų12864.2 Ų64.279%0.78531%0.307SS*.SBendtrans-74.3-21.4-17750.90000113
312L88.3Confident91.3Very high73 Ų7357.9 Ų57.938%0.38228%0.28SS..SBendtrans-112.4143.4-178.3-65.1176.3000111.1I309 R310 K317 L320I309-L312 HydrophobicContact CG2-CB 4.39Å; I309-L312 HydrophobicContact CG2-CD1 4.43Å; I309-L312 HydrophobicContact CG2-CG 4.42Å; R310-L312 VanDerWaalsContact C-N 3.3Å; R310-L312 PolarHBondContact O-N 3.19Å; L312-K317 HydrophobicContact CB-CD 4.38Å; L312-K317 HydrophobicContact CB-CG 3.7Å; L312-L320 HydrophobicContact CD1-CD2 4.17Å
313P91.3Very high91.4Very high86 Ų8660.1 Ų60.156%0.55829%0.293SS*.  trans-55.9145.2169.3-2332.7000111.8K315 S316 K317P313-K315 VanDerWaalsContact C-N 3.29Å; P313-K315 PolarHBondContact O-N 3.28Å; P313-S316 WeakPolarHBondContact O-CB 3.41Å; P313-S316 PolarHBondContact O-N 3.1Å; P313-K317 PolarHBondContact O-N 3.38Å
314E89.6Confident91.7Very high78 Ų7862.3 Ų62.336%0.36430%0.304SS..Hα-helixtrans-53.5-43.9-178.2-72.6-61.615100112.6S316 K317 L318 K367E314-S316 VanDerWaalsContact C-N 3.32Å; E314-S316 PolarHBondContact O-N 3.25Å; E314-K317 WeakPolarHBondContact O-CB 3.33Å; E314-K317 PolarHBondContact O-N 3.34Å; E314-K317 VanDerWaalsContact O-N 3.13Å; E314-K317 WeakPolarHBondContact OE1-CE 3.28Å; E314-K317 IonicContact OE1-NZ 3.94Å; E314-K317 PolarHBondContact OE1-NZ 3.44Å; E314-K317 WeakPolarHBondContact OE2-CE 3.08Å; E314-K317 IonicContact OE2-NZ 2.83Å; E314-K317 PolarHBondContact OE2-NZ 3.5Å; E314-L318 WeakPolarHBondContact O-CG 3.49Å; E314-L318 PolarHBondContact O-N 3.31Å; E314-K367 IonicContact OE2-NZ 2.78Å
315K91.3Very high91.9Very high81 Ų8159.8 Ų59.835%0.35229%0.292SS..Hα-helixtrans-56.6-43.6175.7-175.3175.2176.8173.10112.8P313 L318 R319 A436 S438P313-K315 VanDerWaalsContact C-N 3.29Å; P313-K315 PolarHBondContact O-N 3.28Å; K315-L318 PolarHBondContact O-N 2.97Å; K315-R319 WeakPolarHBondContact O-CG 3.34Å; K315-R319 PolarHBondContact O-N 3.29Å; K315-R319 VanDerWaalsContact O-N 3.12Å; K315-A436 VanDerWaalsContact CE-O 3.23Å; K315-A436 WeakPolarHBondContact CE-O 3.45Å; K315-S438 PolarHBondContact N-OG 3.28Å
316S92.6Very high92.2Very high50 Ų5059.1 Ų59.135%0.3529%0.286SS..Hα-helixtrans-68.9-35.9178.4-59.40000111.5P313 E314 R319 L320P313-S316 WeakPolarHBondContact O-CB 3.41Å; P313-S316 PolarHBondContact O-N 3.1Å; E314-S316 VanDerWaalsContact C-N 3.32Å; E314-S316 PolarHBondContact O-N 3.25Å; S316-R319 PolarHBondContact O-N 2.83Å; S316-L320 WeakPolarHBondContact O-CB 3.49Å; S316-L320 PolarHBondContact O-N 3.39Å
317K93.2Very high92.4Very high2 Ų262.2 Ų62.21%0.00930%0.3CS..Hα-helixtrans-62.9-48.8173.1-65.7-168.9-63.9172.20111.6S306 I309 L312 P313 E314 R319 L320 F321S306-K317 PolarHBondContact O-NZ 3.17Å; I309-K317 HydrophobicContact CB-CD 4.02Å; I309-K317 HydrophobicContact CG2-CD 3.87Å; I309-K317 HydrophobicContact CG2-CG 4.43Å; I309-K317 VanDerWaalsContact O-CD 3.27Å; I309-K317 WeakPolarHBondContact O-CD 3.1Å; I309-K317 WeakPolarHBondContact O-CE 3.19Å; I309-K317 PolarHBondContact O-NZ 3.26Å; L312-K317 HydrophobicContact CB-CD 4.38Å; L312-K317 HydrophobicContact CB-CG 3.7Å; P313-K317 PolarHBondContact O-N 3.38Å; E314-K317 WeakPolarHBondContact O-CB 3.33Å; E314-K317 PolarHBondContact O-N 3.34Å; E314-K317 VanDerWaalsContact O-N 3.13Å; E314-K317 WeakPolarHBondContact OE1-CE 3.28Å; E314-K317 IonicContact OE1-NZ 3.94Å; E314-K317 PolarHBondContact OE1-NZ 3.44Å; E314-K317 WeakPolarHBondContact OE2-CE 3.08Å; E314-K317 IonicContact OE2-NZ 2.83Å; E314-K317 PolarHBondContact OE2-NZ 3.5Å; K317-R319 VanDerWaalsContact C-N 3.27Å; K317-R319 PolarHBondContact O-N 3.27Å; K317-L320 PolarHBondContact O-N 2.99Å; K317-L320 VanDerWaalsContact O-N 3.17Å; K317-F321 VanDerWaalsContact O-CD2 3.28Å; K317-F321 WeakPolarHBondContact O-CD2 3.49Å; K317-F321 PolarHBondContact O-N 3.39Å
318L93.5Very high92.8Very high0 Ų063.2 Ų63.20%031%0.307CS..Hα-helixtrans-55.7-44.8177.3-68.1178.5000111.6E314 K315 N322 K367 L371E314-L318 WeakPolarHBondContact O-CG 3.49Å; E314-L318 PolarHBondContact O-N 3.31Å; K315-L318 PolarHBondContact O-N 2.97Å; L318-N322 WeakPolarHBondContact O-CB 3.46Å; L318-N322 PolarHBondContact O-N 3.19Å; L318-K367 HydrophobicContact CD2-CB 3.9Å; L318-K367 HydrophobicContact CD2-CD 4.2Å; L318-K367 HydrophobicContact CD2-CG 3.81Å; L318-L371 HydrophobicContact CD1-CD1 4.27Å; L318-L371 HydrophobicContact CD2-CD1 4.39Å
319R95.1Very high93.3Very high71 Ų7154.1 Ų54.127%0.26827%0.273SS..Hα-helixtrans-64.2-44.7177.3-71.8173.2170.2-174.1-9.5112.3K315 S316 K317 T323 V433 A436K315-R319 WeakPolarHBondContact O-CG 3.34Å; K315-R319 PolarHBondContact O-N 3.29Å; K315-R319 VanDerWaalsContact O-N 3.12Å; S316-R319 PolarHBondContact O-N 2.83Å; K317-R319 VanDerWaalsContact C-N 3.27Å; K317-R319 PolarHBondContact O-N 3.27Å; R319-T323 VanDerWaalsContact O-CB 3.29Å; R319-T323 WeakPolarHBondContact O-CB 3.29Å; R319-T323 PolarHBondContact O-N 3.11Å; R319-T323 PolarHBondContact O-OG1 3.39Å; R319-V433 PolarHBondContact NE-O 3.25Å; R319-V433 PolarHBondContact NH2-O 3.38Å; R319-A436 HydrophobicContact CG-CB 4.32Å
320L95.6Very high93.7Very high76 Ų7651.7 Ų51.740%0.39826%0.261SS..Hα-helixtrans-60.9-53.2179176.965.3000111.1L312 S316 K317 N322 T323 I324L312-L320 HydrophobicContact CD1-CD2 4.17Å; S316-L320 WeakPolarHBondContact O-CB 3.49Å; S316-L320 PolarHBondContact O-N 3.39Å; K317-L320 PolarHBondContact O-N 2.99Å; K317-L320 VanDerWaalsContact O-N 3.17Å; L320-N322 VanDerWaalsContact C-N 3.32Å; L320-N322 PolarHBondContact O-N 2.86Å; L320-T323 PolarHBondContact O-N 3.31Å; L320-I324 HydrophobicContact CD1-CD1 4.13Å; L320-I324 HydrophobicContact CD1-CG1 4.49Å; L320-I324 HydrophobicContact CG-CD1 4.06Å; L320-I324 WeakPolarHBondContact O-CG1 3.29Å; L320-I324 PolarHBondContact O-N 2.92Å
321F95.9Very high94.4Very high4 Ų446.5 Ų46.52%0.01825%0.245CC..Hα-helixtrans-63.1-39.6-178.8-83.9-103.8000111.9A302 A305 I309 K317 I324 S325 F360 G363A302-F321 HydrophobicContact CB-CD1 4.32Å; A302-F321 HydrophobicContact CB-CE1 3.99Å; A302-F321 WeakPolarHBondContact O-CE1 3.36Å; A305-F321 HydrophobicContact CB-CE1 4.31Å; A305-F321 HydrophobicContact CB-CZ 3.82Å; I309-F321 HydrophobicContact CD1-CE2 4.17Å; I309-F321 HydrophobicContact CD1-CZ 4.24Å; K317-F321 VanDerWaalsContact O-CD2 3.28Å; K317-F321 WeakPolarHBondContact O-CD2 3.49Å; K317-F321 PolarHBondContact O-N 3.39Å; F321-I324 PolarHBondContact O-N 2.82Å; F321-S325 PolarHBondContact O-N 3.03Å; F321-S325 PolarHBondContact O-OG 2.91Å; F321-F360 HydrophobicContact CD1-CB 4.43Å; F321-F360 AromaticContact CD1-CD1 3.74Å; F321-F360 HydrophobicContact CD1-CD1 3.74Å; F321-F360 AromaticContact CE1-CD1 3.84Å; F321-F360 HydrophobicContact CE1-CD1 3.84Å; F321-F360 HydrophobicContact CE1-CE1 4.32Å; F321-G363 VanDerWaalsContact CB-C 3.46Å; F321-G363 WeakPolarHBondContact CB-O 3.32Å
322N96Very high94.9Very high0 Ų042 Ų420%021%0.214CC..Hα-helixtrans-67.4-38175-165.686.5000112.8L318 L320 I324 S325 L326 N429 Y432L318-N322 WeakPolarHBondContact O-CB 3.46Å; L318-N322 PolarHBondContact O-N 3.19Å; L320-N322 VanDerWaalsContact C-N 3.32Å; L320-N322 PolarHBondContact O-N 2.86Å; N322-I324 VanDerWaalsContact C-N 3.32Å; N322-S325 WeakPolarHBondContact CA-OG 3.42Å; N322-S325 PolarHBondContact O-N 3.05Å; N322-S325 PolarHBondContact O-OG 3.46Å; N322-S325 VanDerWaalsContact O-OG 3.05Å; N322-L326 VanDerWaalsContact ND2-CD1 3.34Å; N322-L326 WeakPolarHBondContact ND2-CD1 3.33Å; N322-L326 PolarHBondContact O-N 3.21Å; N322-N429 PolarHBondContact ND2-OD1 3.44Å; N322-Y432 HydrophobicContact CB-CD1 3.47Å; N322-Y432 VanDerWaalsContact CB-CD1 3.47Å; N322-Y432 HydrophobicContact CB-CE1 3.39Å; N322-Y432 HydrophobicContact CB-CG 4.31Å; N322-Y432 WeakPolarHBondContact ND2-CB 3.33Å; N322-Y432 WeakPolarHBondContact ND2-CD1 3.24Å
323T96.9Very high95.2Very high47 Ų4738.6 Ų38.629%0.28820%0.197SC..Hα-helixtrans-64.2-40.7175-59.40000110.6R319 L320 Q327 N429R319-T323 VanDerWaalsContact O-CB 3.29Å; R319-T323 WeakPolarHBondContact O-CB 3.29Å; R319-T323 PolarHBondContact O-N 3.11Å; R319-T323 PolarHBondContact O-OG1 3.39Å; L320-T323 PolarHBondContact O-N 3.31Å; T323-Q327 HydrophobicContact CG2-CB 3.97Å; T323-Q327 WeakPolarHBondContact O-CA 3.49Å; T323-Q327 WeakPolarHBondContact O-CB 3.44Å; T323-Q327 PolarHBondContact O-N 2.92Å; T323-N429 VanDerWaalsContact CA-OD1 3.31Å; T323-N429 WeakPolarHBondContact CA-OD1 3.47Å; T323-N429 PolarHBondContact OG1-OD1 2.95Å
324I96.8Very high95.4Very high45 Ų4538.1 Ų38.123%0.23119%0.188CC..Hα-helixtrans-63.4-44174.1-64.2165.6000110.2L320 F321 N322 L326 V328 P329 F360L320-I324 HydrophobicContact CD1-CD1 4.13Å; L320-I324 HydrophobicContact CD1-CG1 4.49Å; L320-I324 HydrophobicContact CG-CD1 4.06Å; L320-I324 WeakPolarHBondContact O-CG1 3.29Å; L320-I324 PolarHBondContact O-N 2.92Å; F321-I324 PolarHBondContact O-N 2.82Å; N322-I324 VanDerWaalsContact C-N 3.32Å; I324-L326 VanDerWaalsContact C-N 3.33Å; I324-L326 PolarHBondContact O-N 3.34Å; I324-V328 HydrophobicContact CG2-CG2 4.25Å; I324-V328 VanDerWaalsContact O-CB 3.29Å; I324-V328 WeakPolarHBondContact O-CB 3.09Å; I324-V328 WeakPolarHBondContact O-CG2 3.4Å; I324-P329 WeakPolarHBondContact O-CD 3.4Å; I324-F360 HydrophobicContact CB-CB 4.27Å; I324-F360 HydrophobicContact CB-CD1 4.44Å; I324-F360 HydrophobicContact CB-CG 4.19Å; I324-F360 HydrophobicContact CD1-CD1 4.34Å; I324-F360 HydrophobicContact CD1-CE1 4.43Å; I324-F360 HydrophobicContact CG2-CB 3.98Å; I324-F360 HydrophobicContact CG2-CD1 3.95Å; I324-F360 HydrophobicContact CG2-CD2 3.45Å; I324-F360 VanDerWaalsContact CG2-CD2 3.45Å; I324-F360 HydrophobicContact CG2-CE1 4.31Å; I324-F360 HydrophobicContact CG2-CE2 3.82Å; I324-F360 HydrophobicContact CG2-CG 3.52Å; I324-F360 HydrophobicContact CG2-CZ 4.25Å
325S96.4Very high95.7Very high0 Ų037.2 Ų37.20%019%0.185CC..Hα-helixtrans-72.5-20.3-17771.50000114.9F321 N322 P329 F358F321-S325 PolarHBondContact O-N 3.03Å; F321-S325 PolarHBondContact O-OG 2.91Å; N322-S325 WeakPolarHBondContact CA-OG 3.42Å; N322-S325 PolarHBondContact O-N 3.05Å; N322-S325 PolarHBondContact O-OG 3.46Å; N322-S325 VanDerWaalsContact O-OG 3.05Å; S325-P329 VanDerWaalsContact O-CG 3.27Å; S325-P329 WeakPolarHBondContact O-CG 3.42Å; S325-F358 WeakPolarHBondContact O-CD1 3.47Å
326L97.2Very high95.8Very high0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-112.8-43.9-178.8-61.2-174.9000113.3A255 D259 N322 I324 A330 L425 A428 N429A255-L326 HydrophobicContact CB-CD1 4.1Å; D259-L326 HydrophobicContact CB-CD2 3.87Å; N322-L326 VanDerWaalsContact ND2-CD1 3.34Å; N322-L326 WeakPolarHBondContact ND2-CD1 3.33Å; N322-L326 PolarHBondContact O-N 3.21Å; I324-L326 VanDerWaalsContact C-N 3.33Å; I324-L326 PolarHBondContact O-N 3.34Å; L326-A330 PolarHBondContact O-N 2.89Å; L326-L425 HydrophobicContact CB-CD2 4.41Å; L326-L425 HydrophobicContact CD2-CD2 3.76Å; L326-A428 HydrophobicContact CD1-CB 4.3Å; L326-N429 HydrophobicContact CB-CB 3.87Å; L326-N429 HydrophobicContact CD1-CB 3.97Å
327Q97.4Very high95.8Very high64 Ų6432.3 Ų32.330%0.29916%0.16SC..Hα-helixtrans-78.8-34.1-174.8-162.463.553.300112.8T323 A330 F331 T426T323-Q327 HydrophobicContact CG2-CB 3.97Å; T323-Q327 WeakPolarHBondContact O-CA 3.49Å; T323-Q327 WeakPolarHBondContact O-CB 3.44Å; T323-Q327 PolarHBondContact O-N 2.92Å; Q327-A330 PolarHBondContact O-N 3.49Å; Q327-F331 PolarHBondContact O-N 2.93Å; Q327-T426 PolarHBondContact NE2-OG1 2.89Å
328V97.3Very high95.8Very high48 Ų4838.6 Ų38.629%0.29119%0.193SC..Hα-helixtrans-67.8-44.6177.7179.90000111.2I324 A330 F331 F332 S357I324-V328 HydrophobicContact CG2-CG2 4.25Å; I324-V328 VanDerWaalsContact O-CB 3.29Å; I324-V328 WeakPolarHBondContact O-CB 3.09Å; I324-V328 WeakPolarHBondContact O-CG2 3.4Å; V328-A330 VanDerWaalsContact C-N 3.34Å; V328-A330 PolarHBondContact O-N 3.29Å; V328-F331 WeakPolarHBondContact O-CB 3.18Å; V328-F331 PolarHBondContact O-N 3.21Å; V328-F332 HydrophobicContact CG1-CD2 3.71Å; V328-F332 HydrophobicContact CG1-CE2 3.45Å; V328-F332 VanDerWaalsContact CG1-CE2 3.45Å; V328-F332 VanDerWaalsContact O-CD2 3.25Å; V328-F332 WeakPolarHBondContact O-CD2 3.31Å; V328-F332 PolarHBondContact O-N 3.41Å; V328-S357 WeakPolarHBondContact CG1-OG 3.25Å
329P97Very high95.7Very high0 Ų040.1 Ų40.10%020%0.201CC..Hα-helixtrans-57.2-43.6168.9-2633.9000113.2I324 S325 F331 F332 L333 Y354 F358 L425I324-P329 WeakPolarHBondContact O-CD 3.4Å; S325-P329 VanDerWaalsContact O-CG 3.27Å; S325-P329 WeakPolarHBondContact O-CG 3.42Å; P329-F331 VanDerWaalsContact C-N 3.29Å; P329-F331 PolarHBondContact O-N 3.09Å; P329-F332 PolarHBondContact O-N 3.47Å; P329-F332 VanDerWaalsContact O-N 3.16Å; P329-L333 PolarHBondContact O-N 2.71Å; P329-Y354 HydrophobicContact CB-CD2 3.47Å; P329-Y354 VanDerWaalsContact CB-CD2 3.47Å; P329-Y354 HydrophobicContact CB-CE2 3.48Å; P329-Y354 VanDerWaalsContact CB-CE2 3.48Å; P329-Y354 HydrophobicContact CB-CG 4.43Å; P329-Y354 VanDerWaalsContact O-CD2 3.32Å; P329-Y354 WeakPolarHBondContact O-CD2 3.48Å; P329-F358 HydrophobicContact CB-CE1 3.91Å; P329-F358 HydrophobicContact CB-CE2 4.24Å; P329-F358 HydrophobicContact CB-CZ 3.68Å; P329-F358 HydrophobicContact CG-CD1 3.98Å; P329-F358 HydrophobicContact CG-CE1 3.71Å; P329-F358 HydrophobicContact CG-CE2 4.35Å; P329-F358 HydrophobicContact CG-CG 4.43Å; P329-F358 HydrophobicContact CG-CZ 3.9Å; P329-L425 HydrophobicContact CB-CD1 3.96Å
330A97.4Very high95.4Very high2 Ų240 Ų402%0.01721%0.21CC..Hα-helixtrans-59.1-41.7177.100000112L326 Q327 V328 L333 M334 A422 L425L326-A330 PolarHBondContact O-N 2.89Å; Q327-A330 PolarHBondContact O-N 3.49Å; V328-A330 VanDerWaalsContact C-N 3.34Å; V328-A330 PolarHBondContact O-N 3.29Å; A330-L333 PolarHBondContact O-N 2.88Å; A330-M334 WeakPolarHBondContact O-CG 3.41Å; A330-M334 PolarHBondContact O-N 3.39Å; A330-A422 HydrophobicContact CB-CB 4.34Å; A330-L425 HydrophobicContact CB-CB 3.9Å; A330-L425 HydrophobicContact CB-CD1 4.09Å
331F97.3Very high95Very high121 Ų12141.6 Ų41.653%0.53121%0.21SC..Hα-helixtrans-61.8-44.9174.5171.8-98.9000112.3Q327 V328 P329 L333 M334 L335Q327-F331 PolarHBondContact O-N 2.93Å; V328-F331 WeakPolarHBondContact O-CB 3.18Å; V328-F331 PolarHBondContact O-N 3.21Å; P329-F331 VanDerWaalsContact C-N 3.29Å; P329-F331 PolarHBondContact O-N 3.09Å; F331-L333 VanDerWaalsContact C-N 3.35Å; F331-L333 PolarHBondContact O-N 2.96Å; F331-M334 WeakPolarHBondContact O-CB 3.29Å; F331-M334 PolarHBondContact O-N 3.33Å; F331-L335 PolarHBondContact O-N 2.93Å
332F96.8Very high94.5Very high34 Ų3449.3 Ų49.315%0.14925%0.246CC..Hα-helixtrans-67.3-33.1177.7-78.9-65.9000113.1V328 P329 L335 V336 C350 F353V328-F332 HydrophobicContact CG1-CD2 3.71Å; V328-F332 HydrophobicContact CG1-CE2 3.45Å; V328-F332 VanDerWaalsContact CG1-CE2 3.45Å; V328-F332 VanDerWaalsContact O-CD2 3.25Å; V328-F332 WeakPolarHBondContact O-CD2 3.31Å; V328-F332 PolarHBondContact O-N 3.41Å; P329-F332 PolarHBondContact O-N 3.47Å; P329-F332 VanDerWaalsContact O-N 3.16Å; F332-L335 HydrophobicContact CD1-CD2 4.2Å; F332-L335 HydrophobicContact CE1-CD2 4.44Å; F332-L335 PolarHBondContact O-N 3.19Å; F332-V336 WeakPolarHBondContact O-CG2 3.17Å; F332-V336 PolarHBondContact O-N 3.5Å; F332-C350 HydrophobicContact CD1-CB 4.12Å; F332-F353 HydrophobicContact CD1-CB 4.32Å; F332-F353 HydrophobicContact CD2-CB 3.99Å; F332-F353 HydrophobicContact CE1-CB 3.88Å; F332-F353 HydrophobicContact CE1-CG 4.46Å; F332-F353 HydrophobicContact CE2-CB 3.52Å; F332-F353 HydrophobicContact CE2-CG 4.42Å; F332-F353 HydrophobicContact CG-CB 4.38Å; F332-F353 HydrophobicContact CZ-CB 3.46Å; F332-F353 VanDerWaalsContact CZ-CB 3.46Å; F332-F353 HydrophobicContact CZ-CD2 4.47Å; F332-F353 HydrophobicContact CZ-CG 4.01Å
333L95.4Very high94.2Very high1 Ų153.9 Ų53.91%0.00527%0.268CS..Hα-helixtrans-63.5-44.6171.2-73.4176.8000111.5F266 P329 A330 F331 L335 V336 V337 Y354 F418 H421 A422 L425F266-L333 HydrophobicContact CE2-CD2 3.77Å; F266-L333 HydrophobicContact CZ-CD2 4.39Å; P329-L333 PolarHBondContact O-N 2.71Å; A330-L333 PolarHBondContact O-N 2.88Å; F331-L333 VanDerWaalsContact C-N 3.35Å; F331-L333 PolarHBondContact O-N 2.96Å; L333-L335 VanDerWaalsContact C-N 3.27Å; L333-L335 PolarHBondContact O-N 3.45Å; L333-V336 WeakPolarHBondContact O-CB 3.38Å; L333-V336 PolarHBondContact O-N 2.85Å; L333-V337 WeakPolarHBondContact O-CG2 3.45Å; L333-V337 PolarHBondContact O-N 3.14Å; L333-Y354 HydrophobicContact CD1-CD2 4.39Å; L333-Y354 HydrophobicContact CD1-CE2 3.58Å; L333-Y354 HydrophobicContact CD2-CD2 4.05Å; L333-Y354 HydrophobicContact CD2-CE2 3.75Å; L333-Y354 HydrophobicContact CG-CD2 3.76Å; L333-Y354 HydrophobicContact CG-CE2 3.42Å; L333-Y354 VanDerWaalsContact CG-CE2 3.42Å; L333-F418 HydrophobicContact CD2-CB 4.46Å; L333-F418 HydrophobicContact CD2-CD1 4.08Å; L333-F418 HydrophobicContact CD2-CG 4.35Å; L333-H421 HydrophobicContact CD1-CB 3.68Å; L333-A422 HydrophobicContact CB-CB 4.23Å; L333-A422 HydrophobicContact CD1-CB 4.46Å; L333-L425 HydrophobicContact CD1-CD1 4.13Å
334M95.6Very high93.8Very high76 Ų7653 Ų5337%0.37426%0.263SS..Hα-helixtrans-60.7-39.3174.3-69.2-60.7-56.500111.7A330 F331 V337 L338 L419 A422A330-M334 WeakPolarHBondContact O-CG 3.41Å; A330-M334 PolarHBondContact O-N 3.39Å; F331-M334 WeakPolarHBondContact O-CB 3.29Å; F331-M334 PolarHBondContact O-N 3.33Å; M334-V337 PolarHBondContact O-N 3.04Å; M334-L338 WeakPolarHBondContact O-CG 3.36Å; M334-L338 PolarHBondContact O-N 3.36Å; M334-L419 HydrophobicContact CE-CD2 3.75Å; M334-L419 HydrophobicContact SD-CD2 3.39Å; M334-L419 WeakPolarHBondContact SD-CD2 3.45Å; M334-A422 HydrophobicContact CG-CB 4.16Å; M334-A422 HydrophobicContact SD-CB 4.05Å
335L95.2Very high93.4Very high59 Ų5958.2 Ų58.231%0.30928%0.28SS..Hα-helixtrans-64.4-41.6176.5-171.962.6000111.5F331 F332 L333 V337 L338 L339 C350F331-L335 PolarHBondContact O-N 2.93Å; F332-L335 HydrophobicContact CD1-CD2 4.2Å; F332-L335 HydrophobicContact CE1-CD2 4.44Å; F332-L335 PolarHBondContact O-N 3.19Å; L333-L335 VanDerWaalsContact C-N 3.27Å; L333-L335 PolarHBondContact O-N 3.45Å; L335-V337 VanDerWaalsContact C-N 3.31Å; L335-V337 PolarHBondContact O-N 2.89Å; L335-L338 PolarHBondContact O-N 2.88Å; L335-L338 VanDerWaalsContact O-N 3.13Å; L335-L339 HydrophobicContact CG-CD1 4.35Å; L335-L339 VanDerWaalsContact O-CG 3.28Å; L335-L339 WeakPolarHBondContact O-CG 3.43Å; L335-L339 PolarHBondContact O-N 3.48Å; L335-L339 VanDerWaalsContact O-N 3.12Å; L335-C350 VanDerWaalsContact CD2-SG 3.58Å
336V93.4Very high93.1Very high3 Ų362 Ų622%0.01830%0.3CS..Hα-helixtrans-59.5-40.9174.8164.10000111.6Y273 F332 L333 L338 L339 H347 C350 I351 F418Y273-V336 HydrophobicContact CE1-CG1 4.45Å; Y273-V336 VanDerWaalsContact OH-CG1 3.31Å; Y273-V336 WeakPolarHBondContact OH-CG1 3.43Å; F332-V336 WeakPolarHBondContact O-CG2 3.17Å; F332-V336 PolarHBondContact O-N 3.5Å; L333-V336 WeakPolarHBondContact O-CB 3.38Å; L333-V336 PolarHBondContact O-N 2.85Å; V336-L338 VanDerWaalsContact C-N 3.27Å; V336-L338 PolarHBondContact O-N 2.64Å; V336-L339 PolarHBondContact O-N 2.86Å; V336-H347 PolarHBondContact O-CE1 2.98Å; V336-C350 HydrophobicContact CG2-CB 3.61Å; V336-I351 HydrophobicContact CG2-CG1 4.3Å; V336-F418 HydrophobicContact CG1-CD2 3.84Å; V336-F418 HydrophobicContact CG1-CE2 3.61Å; V336-F418 HydrophobicContact CG1-CZ 4.41Å
337V92.9Very high92.8Very high25 Ų2562.2 Ų62.215%0.15230%0.301CS..Hα-helixtrans-62.2-34.1175.41690000112.4L333 M334 L335 T415 F418L333-V337 WeakPolarHBondContact O-CG2 3.45Å; L333-V337 PolarHBondContact O-N 3.14Å; M334-V337 PolarHBondContact O-N 3.04Å; L335-V337 VanDerWaalsContact C-N 3.31Å; L335-V337 PolarHBondContact O-N 2.89Å; V337-T415 HydrophobicContact CG1-CG2 3.6Å; V337-F418 HydrophobicContact CG2-CB 3.67Å; V337-F418 HydrophobicContact CG2-CD2 4.08Å; V337-F418 HydrophobicContact CG2-CG 4.41Å
338L92Very high92.4Very high134 Ų13459.4 Ų59.470%0.70229%0.289SS*.Hα-helixtrans-85.4-12.6-178.4-64172.8000113.5M334 L335 V336M334-L338 WeakPolarHBondContact O-CG 3.36Å; M334-L338 PolarHBondContact O-N 3.36Å; L335-L338 PolarHBondContact O-N 2.88Å; L335-L338 VanDerWaalsContact O-N 3.13Å; V336-L338 VanDerWaalsContact C-N 3.27Å; V336-L338 PolarHBondContact O-N 2.64Å
339L92.8Very high92.1Very high32 Ų3261.3 Ų61.317%0.16830%0.296CS..SBendtrans-83.6127.9-175.7-80.8170.7000111.1L335 V336 L346 H347L335-L339 HydrophobicContact CG-CD1 4.35Å; L335-L339 VanDerWaalsContact O-CG 3.28Å; L335-L339 WeakPolarHBondContact O-CG 3.43Å; L335-L339 PolarHBondContact O-N 3.48Å; L335-L339 VanDerWaalsContact O-N 3.12Å; V336-L339 PolarHBondContact O-N 2.86Å; L339-L346 HydrophobicContact CD1-CB 4.07Å; L339-L346 HydrophobicContact CD2-CB 4.3Å; L339-L346 HydrophobicContact CD2-CD1 4.04Å; L339-H347 PolarHBondContact O-CE1 3.34Å; L339-H347 PolarHBondContact O-NE2 2.99Å
340P88.4Confident92Very high70 Ų7061.8 Ų61.846%0.45530%0.299SS..  trans-57.1146.6173.5-23.432.8000112.3E342 H343 H347P340-E342 PolarHBondContact O-N 3.23Å; P340-H343 PolarHBondContact O-N 3.32Å; P340-H347 PolarHBondContact O-NE2 3.43Å; P340-H347 VanDerWaalsContact O-NE2 3.1Å
341R85.9Confident91.7Very high108 Ų10861.7 Ų61.741%0.40830%0.299SS..THydrogen-bonded Turntrans-58.4-28.5176.8-172.9179.4179.2177.33.3112.6Y276 L277 H343 D409Y276-R341 PolarHBondContact O-NE 3.37Å; Y276-R341 PolarHBondContact O-NH2 3.03Å; L277-R341 HydrophobicContact CD2-CG 4.26Å; R341-H343 PolarHBondContact O-N 2.8Å; R341-H343 VanDerWaalsContact O-N 3.1Å; R341-D409 IonicContact CZ-OD1 2.81Å; R341-D409 IonicContact NH1-OD1 2.88Å; R341-D409 IonicContact NH2-OD1 3.6Å; R341-D409 PolarHBondContact NH2-OD1 3.28Å
342E87.1Confident91.4Very high167 Ų16756.2 Ų56.278%0.7828%0.275SS*.THydrogen-bonded Turntrans-65.3-10.6-178.1-59.8-179.6-175.300114.5P340 P344P340-E342 PolarHBondContact O-N 3.23Å; E342-P344 WeakPolarHBondContact O-CD 3.36Å
343H88.9Confident91.3Very high96 Ų9659.4 Ų59.444%0.44429%0.289SS..  trans-114.962.6-179.8-62.5-38.6000113P340 R341 Y345 L346 H347P340-H343 PolarHBondContact O-N 3.32Å; R341-H343 PolarHBondContact O-N 2.8Å; R341-H343 VanDerWaalsContact O-N 3.1Å; H343-Y345 VanDerWaalsContact C-N 3.27Å; H343-Y345 PolarHBondContact O-N 3.13Å; H343-Y345 VanDerWaalsContact O-N 3.16Å; H343-L346 HydrophobicContact CB-CB 4.24Å; H343-L346 HydrophobicContact CB-CD1 3.84Å; H343-L346 HydrophobicContact CB-CG 4.14Å; H343-L346 WeakPolarHBondContact O-CB 3.31Å; H343-L346 PolarHBondContact O-N 3.28Å; H343-H347 PolarHBondContact O-CD2 3.18Å; H343-H347 PolarHBondContact O-N 2.88Å
344P88.1Confident91.2Very high28 Ų2859.4 Ų59.418%0.18229%0.289CS..Hα-helixtrans-58-35.6-172.422.3-33.9000113.6L277 M279 E342 L346 H347 V348L277-P344 HydrophobicContact CB-CB 4.18Å; M279-P344 HydrophobicContact CG-CB 3.64Å; M279-P344 HydrophobicContact CG-CG 4.48Å; M279-P344 HydrophobicContact SD-CB 3.6Å; E342-P344 WeakPolarHBondContact O-CD 3.36Å; P344-L346 VanDerWaalsContact C-N 3.34Å; P344-L346 PolarHBondContact O-N 3.45Å; P344-H347 WeakPolarHBondContact O-CB 3.31Å; P344-H347 PolarHBondContact O-N 3.39Å; P344-V348 WeakPolarHBondContact O-CG2 3.49Å; P344-V348 PolarHBondContact O-N 3.45Å; P344-V348 VanDerWaalsContact O-N 3.1Å
345Y87.8Confident91.1Very high155 Ų15557 Ų5761%0.60828%0.277SS*.Hα-helixtrans-67.6-31.2178.5-63.6-70.4000113.5M279 H343 V348 I349M279-Y345 HydrophobicContact CE-CD1 4.47Å; M279-Y345 HydrophobicContact CE-CE1 4.29Å; H343-Y345 VanDerWaalsContact C-N 3.27Å; H343-Y345 PolarHBondContact O-N 3.13Å; H343-Y345 VanDerWaalsContact O-N 3.16Å; Y345-V348 PolarHBondContact O-N 3.47Å; Y345-I349 WeakPolarHBondContact O-CG1 3.47Å; Y345-I349 PolarHBondContact O-N 3.19Å
346L91Very high91Very high80 Ų8054.3 Ų54.342%0.41926%0.263SS..Hα-helixtrans-67.7-39.1174.4-68.3-178.6000111L339 H343 P344 V348 I349 C350L339-L346 HydrophobicContact CD1-CB 4.07Å; L339-L346 HydrophobicContact CD2-CB 4.3Å; L339-L346 HydrophobicContact CD2-CD1 4.04Å; H343-L346 HydrophobicContact CB-CB 4.24Å; H343-L346 HydrophobicContact CB-CD1 3.84Å; H343-L346 HydrophobicContact CB-CG 4.14Å; H343-L346 WeakPolarHBondContact O-CB 3.31Å; H343-L346 PolarHBondContact O-N 3.28Å; P344-L346 VanDerWaalsContact C-N 3.34Å; P344-L346 PolarHBondContact O-N 3.45Å; L346-V348 PolarHBondContact O-N 3.17Å; L346-I349 PolarHBondContact O-N 2.99Å; L346-C350 PolarHBondContact O-N 3.02Å; L346-C350 PolarHBondContact O-SG 2.92Å
347H91.4Very high91.1Very high4 Ų454.8 Ų54.82%0.01927%0.267CS..Hα-helixtrans-58.1-47.8171.9-73.2-89.9000111.1Y273 L277 V336 L339 P340 H343 P344 I349 C350 I351Y273-H347 HydrophobicContact CE1-CB 4.34Å; Y273-H347 AromaticContact CZ-ND1 3.86Å; Y273-H347 PolarHBondContact OH-CE1 3.45Å; Y273-H347 VanDerWaalsContact OH-CE1 3.24Å; Y273-H347 PolarHBondContact OH-ND1 3.16Å; L277-H347 HydrophobicContact CD1-CB 3.54Å; V336-H347 PolarHBondContact O-CE1 2.98Å; L339-H347 PolarHBondContact O-CE1 3.34Å; L339-H347 PolarHBondContact O-NE2 2.99Å; P340-H347 PolarHBondContact O-NE2 3.43Å; P340-H347 VanDerWaalsContact O-NE2 3.1Å; H343-H347 PolarHBondContact O-CD2 3.18Å; H343-H347 PolarHBondContact O-N 2.88Å; P344-H347 WeakPolarHBondContact O-CB 3.31Å; P344-H347 PolarHBondContact O-N 3.39Å; H347-I349 VanDerWaalsContact C-N 3.33Å; H347-I349 PolarHBondContact O-N 3.06Å; H347-C350 PolarHBondContact O-N 3.23Å; H347-I351 WeakPolarHBondContact O-CB 3.43Å; H347-I351 WeakPolarHBondContact O-CD1 3.36Å; H347-I351 WeakPolarHBondContact O-CG1 3.27Å; H347-I351 PolarHBondContact O-N 3.32Å
348V89.6Confident91.2Very high5 Ų553.7 Ų53.73%0.0326%0.26CS..Hα-helixtrans-59.3-42.4178.1175.60000112.1Y274 M279 L287 P344 Y345 L346 I351 T352Y274-V348 HydrophobicContact CE1-CG2 3.9Å; M279-V348 HydrophobicContact CE-CG2 3.77Å; M279-V348 HydrophobicContact SD-CG2 3.73Å; L287-V348 HydrophobicContact CB-CG1 4.13Å; L287-V348 HydrophobicContact CD1-CG1 4.23Å; P344-V348 WeakPolarHBondContact O-CG2 3.49Å; P344-V348 PolarHBondContact O-N 3.45Å; P344-V348 VanDerWaalsContact O-N 3.1Å; Y345-V348 PolarHBondContact O-N 3.47Å; L346-V348 PolarHBondContact O-N 3.17Å; V348-I351 PolarHBondContact O-N 3.46Å; V348-T352 WeakPolarHBondContact O-CB 3.48Å; V348-T352 PolarHBondContact O-N 3.17Å; V348-T352 PolarHBondContact O-OG1 2.7Å
349I90.5Very high91.3Very high88 Ų8847.3 Ų47.345%0.45123%0.227SC..Hα-helixtrans-61.9-48.8176.8-69.7166.8000110.2Y345 L346 H347 I351 T352 F353Y345-I349 WeakPolarHBondContact O-CG1 3.47Å; Y345-I349 PolarHBondContact O-N 3.19Å; L346-I349 PolarHBondContact O-N 2.99Å; H347-I349 VanDerWaalsContact C-N 3.33Å; H347-I349 PolarHBondContact O-N 3.06Å; I349-I351 PolarHBondContact O-N 3.03Å; I349-T352 WeakPolarHBondContact O-CB 3.2Å; I349-T352 PolarHBondContact O-N 2.92Å; I349-T352 VanDerWaalsContact O-N 3.13Å; I349-F353 HydrophobicContact CG2-CD2 3.79Å; I349-F353 HydrophobicContact CG2-CE2 3.7Å; I349-F353 VanDerWaalsContact O-CD2 3.31Å; I349-F353 WeakPolarHBondContact O-CD2 3.45Å; I349-F353 PolarHBondContact O-N 2.79Å
350C93.6Very high91.4Very high10 Ų1047.4 Ų47.47%0.06823%0.226CC..Hα-helixtrans-60.5-44.5178.9-64.30000111.7F332 L335 V336 L346 H347 T352 F353 Y354F332-C350 HydrophobicContact CD1-CB 4.12Å; L335-C350 VanDerWaalsContact CD2-SG 3.58Å; V336-C350 HydrophobicContact CG2-CB 3.61Å; L346-C350 PolarHBondContact O-N 3.02Å; L346-C350 PolarHBondContact O-SG 2.92Å; H347-C350 PolarHBondContact O-N 3.23Å; C350-T352 VanDerWaalsContact C-N 3.25Å; C350-T352 PolarHBondContact O-N 3.41Å; C350-F353 PolarHBondContact O-N 3.22Å; C350-Y354 WeakPolarHBondContact O-CB 3.45Å; C350-Y354 PolarHBondContact O-N 2.98Å
351I92.1Very high91.7Very high0 Ų044.3 Ų44.30%021%0.205CC..Hα-helixtrans-64.7-32.2177.6-64.9164.4000111.5F266 Y273 Y274 K291 V336 H347 V348 I349 Y354 Q355F266-I351 HydrophobicContact CB-CG2 3.97Å; F266-I351 HydrophobicContact CD1-CD1 3.89Å; F266-I351 HydrophobicContact CD1-CG1 4.18Å; F266-I351 HydrophobicContact CD1-CG2 3.78Å; F266-I351 HydrophobicContact CD2-CG1 4.33Å; F266-I351 HydrophobicContact CD2-CG2 3.7Å; F266-I351 HydrophobicContact CE1-CD1 3.37Å; F266-I351 HydrophobicContact CE1-CG1 3.71Å; F266-I351 HydrophobicContact CE1-CG2 4.19Å; F266-I351 HydrophobicContact CE2-CD1 4.45Å; F266-I351 HydrophobicContact CE2-CG1 3.86Å; F266-I351 HydrophobicContact CE2-CG2 4.1Å; F266-I351 HydrophobicContact CG-CG1 4.48Å; F266-I351 HydrophobicContact CG-CG2 3.52Å; F266-I351 HydrophobicContact CZ-CD1 3.7Å; F266-I351 HydrophobicContact CZ-CG1 3.54Å; F266-I351 HydrophobicContact CZ-CG2 4.34Å; Y273-I351 HydrophobicContact CD1-CD1 3.72Å; Y273-I351 HydrophobicContact CE1-CD1 3.67Å; Y274-I351 HydrophobicContact CE1-CD1 3.91Å; K291-I351 HydrophobicContact CD-CG2 4.22Å; K291-I351 VanDerWaalsContact NZ-CG2 3.3Å; V336-I351 HydrophobicContact CG2-CG1 4.3Å; H347-I351 WeakPolarHBondContact O-CB 3.43Å; H347-I351 WeakPolarHBondContact O-CD1 3.36Å; H347-I351 WeakPolarHBondContact O-CG1 3.27Å; H347-I351 PolarHBondContact O-N 3.32Å; V348-I351 PolarHBondContact O-N 3.46Å; I349-I351 PolarHBondContact O-N 3.03Å; I351-Y354 WeakPolarHBondContact O-CB 3.35Å; I351-Q355 PolarHBondContact O-N 3.46Å
352T91.4Very high92.1Very high6 Ų639.2 Ų39.24%0.03719%0.186CC..Hα-helixtrans-69-46.2177-59.90000111.3M290 K291 L294 V348 I349 C350 Q355 A356M290-T352 HydrophobicContact CE-CG2 4.25Å; K291-T352 HydrophobicContact CG-CG2 4.29Å; L294-T352 HydrophobicContact CD2-CG2 3.71Å; V348-T352 WeakPolarHBondContact O-CB 3.48Å; V348-T352 PolarHBondContact O-N 3.17Å; V348-T352 PolarHBondContact O-OG1 2.7Å; I349-T352 WeakPolarHBondContact O-CB 3.2Å; I349-T352 PolarHBondContact O-N 2.92Å; I349-T352 VanDerWaalsContact O-N 3.13Å; C350-T352 VanDerWaalsContact C-N 3.25Å; C350-T352 PolarHBondContact O-N 3.41Å; T352-Q355 PolarHBondContact O-N 3.49Å; T352-A356 VanDerWaalsContact O-CB 3.31Å; T352-A356 WeakPolarHBondContact O-CB 3.5Å; T352-A356 PolarHBondContact O-N 3.17Å
353F93.6Very high92.3Very high100 Ų10031.2 Ų31.244%0.43915%0.149SC..Hα-helixtrans-68.6-35.6174.8-77-70.7000112.9F332 I349 C350 A356 S357F332-F353 HydrophobicContact CD1-CB 4.32Å; F332-F353 HydrophobicContact CD2-CB 3.99Å; F332-F353 HydrophobicContact CE1-CB 3.88Å; F332-F353 HydrophobicContact CE1-CG 4.46Å; F332-F353 HydrophobicContact CE2-CB 3.52Å; F332-F353 HydrophobicContact CE2-CG 4.42Å; F332-F353 HydrophobicContact CG-CB 4.38Å; F332-F353 HydrophobicContact CZ-CB 3.46Å; F332-F353 VanDerWaalsContact CZ-CB 3.46Å; F332-F353 HydrophobicContact CZ-CD2 4.47Å; F332-F353 HydrophobicContact CZ-CG 4.01Å; I349-F353 HydrophobicContact CG2-CD2 3.79Å; I349-F353 HydrophobicContact CG2-CE2 3.7Å; I349-F353 VanDerWaalsContact O-CD2 3.31Å; I349-F353 WeakPolarHBondContact O-CD2 3.45Å; I349-F353 PolarHBondContact O-N 2.79Å; C350-F353 PolarHBondContact O-N 3.22Å; F353-A356 PolarHBondContact O-N 2.81Å; F353-S357 WeakPolarHBondContact O-CB 3.28Å; F353-S357 PolarHBondContact O-N 3.4Å; F353-S357 PolarHBondContact O-OG 2.82Å
354Y94.5Very high92.5Very high1 Ų126.7 Ų26.70%0.00413%0.128CC..Hα-helixtrans-52.1-57.1169.8167.6-96.2000111.1A262 F266 P329 L333 C350 I351 A356 S357 F358A262-Y354 WeakPolarHBondContact CA-OH 3.34Å; A262-Y354 VanDerWaalsContact CB-OH 3.27Å; A262-Y354 WeakPolarHBondContact CB-OH 3.41Å; A262-Y354 PolarHBondContact O-OH 3.39Å; F266-Y354 AromaticContact CD2-CD1 3.66Å; F266-Y354 HydrophobicContact CD2-CD1 3.66Å; F266-Y354 AromaticContact CD2-CE1 3.54Å; F266-Y354 HydrophobicContact CD2-CE1 3.54Å; F266-Y354 HydrophobicContact CE2-CD1 4.06Å; F266-Y354 HydrophobicContact CE2-CE1 4.06Å; P329-Y354 HydrophobicContact CB-CD2 3.47Å; P329-Y354 VanDerWaalsContact CB-CD2 3.47Å; P329-Y354 HydrophobicContact CB-CE2 3.48Å; P329-Y354 VanDerWaalsContact CB-CE2 3.48Å; P329-Y354 HydrophobicContact CB-CG 4.43Å; P329-Y354 VanDerWaalsContact O-CD2 3.32Å; P329-Y354 WeakPolarHBondContact O-CD2 3.48Å; L333-Y354 HydrophobicContact CD1-CD2 4.39Å; L333-Y354 HydrophobicContact CD1-CE2 3.58Å; L333-Y354 HydrophobicContact CD2-CD2 4.05Å; L333-Y354 HydrophobicContact CD2-CE2 3.75Å; L333-Y354 HydrophobicContact CG-CD2 3.76Å; L333-Y354 HydrophobicContact CG-CE2 3.42Å; L333-Y354 VanDerWaalsContact CG-CE2 3.42Å; C350-Y354 WeakPolarHBondContact O-CB 3.45Å; C350-Y354 PolarHBondContact O-N 2.98Å; I351-Y354 WeakPolarHBondContact O-CB 3.35Å; Y354-A356 PolarHBondContact O-N 3.27Å; Y354-S357 PolarHBondContact O-N 3.1Å; Y354-F358 HydrophobicContact CD1-CE2 4.13Å; Y354-F358 AromaticContact CE1-CE2 3.57Å; Y354-F358 HydrophobicContact CE1-CE2 3.57Å; Y354-F358 HydrophobicContact CE1-CZ 4.19Å; Y354-F358 HydrophobicContact CE2-CE2 4Å; Y354-F358 AromaticContact CE2-CZ 3.9Å; Y354-F358 HydrophobicContact CE2-CZ 3.9Å; Y354-F358 AromaticContact CZ-CE2 3.52Å; Y354-F358 AromaticContact CZ-CZ 3.64Å
355Q92.3Very high92.9Very high25 Ų2525.3 Ų25.312%0.11712%0.119CC..Hα-helixtrans-65.3-41.2-179.8-80.3-68.631.700112.3S263 K291 F295 I351 T352 S357 F358S263-Q355 PolarHBondContact O-NE2 3.41Å; K291-Q355 HydrophobicContact CB-CB 4.33Å; K291-Q355 HydrophobicContact CD-CG 4.32Å; F295-Q355 WeakPolarHBondContact CD2-O 3.3Å; I351-Q355 PolarHBondContact O-N 3.46Å; T352-Q355 PolarHBondContact O-N 3.49Å; Q355-S357 VanDerWaalsContact C-N 3.27Å; Q355-S357 PolarHBondContact O-N 3.15Å; Q355-F358 PolarHBondContact O-N 2.88Å
356A93.8Very high93.2Very high4 Ų418.2 Ų18.23%0.0339%0.091CC..Hα-helixtrans-62.9-34.3-178.600000112.8L294 V298 T352 F353 Y354 F358 G359L294-A356 HydrophobicContact CB-CB 4.39Å; L294-A356 HydrophobicContact CD2-CB 3.63Å; L294-A356 HydrophobicContact CG-CB 3.69Å; V298-A356 VanDerWaalsContact CG1-O 3.29Å; V298-A356 WeakPolarHBondContact CG1-O 3.46Å; V298-A356 HydrophobicContact CG2-CB 4.21Å; T352-A356 VanDerWaalsContact O-CB 3.31Å; T352-A356 WeakPolarHBondContact O-CB 3.5Å; T352-A356 PolarHBondContact O-N 3.17Å; F353-A356 PolarHBondContact O-N 2.81Å; Y354-A356 PolarHBondContact O-N 3.27Å; A356-F358 VanDerWaalsContact C-N 3.28Å; A356-F358 PolarHBondContact O-N 2.87Å; A356-G359 PolarHBondContact O-N 3.35Å
357S95.3Very high93.3Very high13 Ų1314.6 Ų14.69%0.0917%0.072CC..Hα-helixtrans-65.3-29-177.4-61.40000113V328 F353 Y354 Q355 G359 F360V328-S357 WeakPolarHBondContact CG1-OG 3.25Å; F353-S357 WeakPolarHBondContact O-CB 3.28Å; F353-S357 PolarHBondContact O-N 3.4Å; F353-S357 PolarHBondContact O-OG 2.82Å; Y354-S357 PolarHBondContact O-N 3.1Å; Q355-S357 VanDerWaalsContact C-N 3.27Å; Q355-S357 PolarHBondContact O-N 3.15Å; S357-G359 PolarHBondContact O-N 3.04Å; S357-G359 VanDerWaalsContact O-N 3.09Å; S357-F360 WeakPolarHBondContact O-CD2 3.49Å; S357-F360 PolarHBondContact O-N 2.9Å; S357-F360 VanDerWaalsContact O-N 3.11Å
358F94.9Very high93.4Very high2 Ų214.4 Ų14.41%0.0097%0.071CC..G310 helixtrans-60.6-18.8171-65.3-60.3000112.8D259 A262 F295 S325 P329 Y354 Q355 A356 F360 N361 L425D259-F358 VanDerWaalsContact OD1-CD1 3.28Å; D259-F358 WeakPolarHBondContact OD1-CD1 3.46Å; A262-F358 HydrophobicContact CB-CE1 4.45Å; A262-F358 HydrophobicContact CB-CZ 3.91Å; F295-F358 HydrophobicContact CD2-CB 4.45Å; F295-F358 HydrophobicContact CE2-CB 4.01Å; S325-F358 WeakPolarHBondContact O-CD1 3.47Å; P329-F358 HydrophobicContact CB-CE1 3.91Å; P329-F358 HydrophobicContact CB-CE2 4.24Å; P329-F358 HydrophobicContact CB-CZ 3.68Å; P329-F358 HydrophobicContact CG-CD1 3.98Å; P329-F358 HydrophobicContact CG-CE1 3.71Å; P329-F358 HydrophobicContact CG-CE2 4.35Å; P329-F358 HydrophobicContact CG-CG 4.43Å; P329-F358 HydrophobicContact CG-CZ 3.9Å; Y354-F358 HydrophobicContact CD1-CE2 4.13Å; Y354-F358 AromaticContact CE1-CE2 3.57Å; Y354-F358 HydrophobicContact CE1-CE2 3.57Å; Y354-F358 HydrophobicContact CE1-CZ 4.19Å; Y354-F358 HydrophobicContact CE2-CE2 4Å; Y354-F358 AromaticContact CE2-CZ 3.9Å; Y354-F358 HydrophobicContact CE2-CZ 3.9Å; Y354-F358 AromaticContact CZ-CE2 3.52Å; Y354-F358 AromaticContact CZ-CZ 3.64Å; Q355-F358 PolarHBondContact O-N 2.88Å; A356-F358 VanDerWaalsContact C-N 3.28Å; A356-F358 PolarHBondContact O-N 2.87Å; F358-F360 PolarHBondContact O-N 3.33Å; F358-F360 VanDerWaalsContact O-N 3.09Å; F358-N361 VanDerWaalsContact O-CB 3.32Å; F358-N361 WeakPolarHBondContact O-CB 3.31Å; F358-N361 PolarHBondContact O-N 3.15Å; F358-N361 PolarHBondContact O-ND2 3.09Å; F358-N361 VanDerWaalsContact O-ND2 3.14Å; F358-N361 PolarHBondContact O-OD1 3.04Å; F358-L425 HydrophobicContact CE1-CD2 4.14Å
359G93.9Very high93.6Very high0 Ų014.2 Ų14.20%07%0.07CC..G310 helixtrans-56.7-24.4173.300000113.7R299 A356 S357 N361 C362R299-G359 WeakPolarHBondContact CA-O 3.26Å; A356-G359 PolarHBondContact O-N 3.35Å; S357-G359 PolarHBondContact O-N 3.04Å; S357-G359 VanDerWaalsContact O-N 3.09Å; G359-N361 VanDerWaalsContact C-N 3.25Å; G359-N361 PolarHBondContact O-N 3.46Å; G359-C362 PolarHBondContact O-SG 2.88Å
360F96.2Very high93.6Very high34 Ų3410.4 Ų10.415%0.1495%0.051CC..G310 helixtrans-74-11.2177.3-73.6-92.5000114.3V298 F301 A302 F321 I324 S357 F358 C362 G363 G364V298-F360 HydrophobicContact CG1-CD2 3.56Å; V298-F360 HydrophobicContact CG1-CE2 3.25Å; V298-F360 HydrophobicContact CG1-CZ 4.02Å; F301-F360 HydrophobicContact CD1-CE1 4.38Å; F301-F360 HydrophobicContact CD1-CZ 4.27Å; F301-F360 HydrophobicContact CE1-CE1 4.33Å; F301-F360 HydrophobicContact CE1-CZ 4.31Å; A302-F360 HydrophobicContact CB-CB 4.39Å; A302-F360 HydrophobicContact CB-CD1 3.6Å; A302-F360 HydrophobicContact CB-CE1 4Å; A302-F360 HydrophobicContact CB-CG 3.99Å; F321-F360 HydrophobicContact CD1-CB 4.43Å; F321-F360 AromaticContact CD1-CD1 3.74Å; F321-F360 HydrophobicContact CD1-CD1 3.74Å; F321-F360 AromaticContact CE1-CD1 3.84Å; F321-F360 HydrophobicContact CE1-CD1 3.84Å; F321-F360 HydrophobicContact CE1-CE1 4.32Å; I324-F360 HydrophobicContact CB-CB 4.27Å; I324-F360 HydrophobicContact CB-CD1 4.44Å; I324-F360 HydrophobicContact CB-CG 4.19Å; I324-F360 HydrophobicContact CD1-CD1 4.34Å; I324-F360 HydrophobicContact CD1-CE1 4.43Å; I324-F360 HydrophobicContact CG2-CB 3.98Å; I324-F360 HydrophobicContact CG2-CD1 3.95Å; I324-F360 HydrophobicContact CG2-CD2 3.45Å; I324-F360 VanDerWaalsContact CG2-CD2 3.45Å; I324-F360 HydrophobicContact CG2-CE1 4.31Å; I324-F360 HydrophobicContact CG2-CE2 3.82Å; I324-F360 HydrophobicContact CG2-CG 3.52Å; I324-F360 HydrophobicContact CG2-CZ 4.25Å; S357-F360 WeakPolarHBondContact O-CD2 3.49Å; S357-F360 PolarHBondContact O-N 2.9Å; S357-F360 VanDerWaalsContact O-N 3.11Å; F358-F360 PolarHBondContact O-N 3.33Å; F358-F360 VanDerWaalsContact O-N 3.09Å; F360-C362 PolarHBondContact O-N 3.37Å; F360-C362 VanDerWaalsContact O-N 3.14Å; F360-G363 PolarHBondContact O-N 2.87Å; F360-G363 VanDerWaalsContact O-N 3.09Å; F360-G364 PolarHBondContact O-N 3.26Å
361N94.6Very high93.5Very high5 Ų510.9 Ų10.93%0.0275%0.053CC..G310 helixtrans-60.8-26.6-177.466.315.8000113.6D259 R299 F358 G359 G363 G364 F365 Y366D259-N361 WeakPolarHBondContact OD1-CB 3.37Å; D259-N361 PolarHBondContact OD1-ND2 3.46Å; D259-N361 VanDerWaalsContact OD1-ND2 3.13Å; D259-N361 PolarHBondContact OD2-ND2 2.99Å; R299-N361 VanDerWaalsContact CZ-OD1 3.23Å; R299-N361 PolarHBondContact NH1-OD1 3.43Å; R299-N361 PolarHBondContact NH2-OD1 3.28Å; F358-N361 VanDerWaalsContact O-CB 3.32Å; F358-N361 WeakPolarHBondContact O-CB 3.31Å; F358-N361 PolarHBondContact O-N 3.15Å; F358-N361 PolarHBondContact O-ND2 3.09Å; F358-N361 VanDerWaalsContact O-ND2 3.14Å; F358-N361 PolarHBondContact O-OD1 3.04Å; G359-N361 VanDerWaalsContact C-N 3.25Å; G359-N361 PolarHBondContact O-N 3.46Å; N361-G363 VanDerWaalsContact C-N 3.27Å; N361-G363 PolarHBondContact O-N 3.3Å; N361-G364 CarbonylContact O-C 3.42Å; N361-G364 PolarHBondContact O-N 2.98Å; N361-F365 HydrophobicContact CB-CD1 4.18Å; N361-F365 HydrophobicContact CB-CE1 3.51Å; N361-F365 HydrophobicContact CB-CZ 3.98Å; N361-Y366 HydrophobicContact CB-CD2 4.2Å; N361-Y366 HydrophobicContact CB-CE2 4.29Å; N361-Y366 WeakPolarHBondContact O-CD2 3.08Å; N361-Y366 PolarHBondContact O-N 2.93Å
362C92.9Very high93.5Very high0 Ų011.1 Ų11.10%05%0.054CC..G310 helixtrans-59.6-36.5176.663.60000112.5A160 R299 G359 F360 K367A160-C362 HydrophobicContact CB-CB 3.86Å; R299-C362 HydrophobicContact CG-CB 4.41Å; G359-C362 PolarHBondContact O-SG 2.88Å; F360-C362 PolarHBondContact O-N 3.37Å; F360-C362 VanDerWaalsContact O-N 3.14Å; C362-K367 VanDerWaalsContact O-CB 3.31Å; C362-K367 WeakPolarHBondContact O-CB 3.27Å; C362-K367 PolarHBondContact O-N 3.38Å
363G91.9Very high93.3Very high0 Ų010.8 Ų10.80%05%0.053CC..G310 helixtrans-89.1-9.617600000114.1F321 F360 N361F321-G363 VanDerWaalsContact CB-C 3.46Å; F321-G363 WeakPolarHBondContact CB-O 3.32Å; F360-G363 PolarHBondContact O-N 2.87Å; F360-G363 VanDerWaalsContact O-N 3.09Å; N361-G363 VanDerWaalsContact C-N 3.27Å; N361-G363 PolarHBondContact O-N 3.3Å
364G94.1Very high92.9Very high0 Ų010.2 Ų10.20%05%0.047CC..THydrogen-bonded Turntrans-94.3-118.2177.600000111.7F360 N361 Y366 K367 G368 Y432F360-G364 PolarHBondContact O-N 3.26Å; N361-G364 CarbonylContact O-C 3.42Å; N361-G364 PolarHBondContact O-N 2.98Å; G364-Y366 VanDerWaalsContact C-N 3.32Å; G364-Y366 PolarHBondContact O-N 3.29Å; G364-K367 PolarHBondContact O-N 3.1Å; G364-G368 PolarHBondContact O-N 2.91Å; G364-Y432 PolarHBondContact O-OH 3.07Å
365F94.6Very high92.3Very high0 Ų012.6 Ų12.60%06%0.059CC..Hα-helixtrans-62.1-31.2-173.970.8-101.2000114.6V252 A255 D259 N361 G368 A369 I384 Y432V252-F365 HydrophobicContact CB-CB 4.49Å; V252-F365 HydrophobicContact CG1-CB 4.06Å; V252-F365 HydrophobicContact CG1-CD2 4.1Å; V252-F365 WeakPolarHBondContact CG1-O 3.39Å; V252-F365 HydrophobicContact CG2-CB 4.49Å; A255-F365 HydrophobicContact CB-CB 3.97Å; A255-F365 HydrophobicContact CB-CD1 4.03Å; A255-F365 HydrophobicContact CB-CG 4.15Å; D259-F365 HydrophobicContact CB-CE1 3.74Å; D259-F365 HydrophobicContact CB-CZ 4.09Å; N361-F365 HydrophobicContact CB-CD1 4.18Å; N361-F365 HydrophobicContact CB-CE1 3.51Å; N361-F365 HydrophobicContact CB-CZ 3.98Å; F365-G368 PolarHBondContact O-N 2.72Å; F365-A369 WeakPolarHBondContact O-CB 3.31Å; F365-A369 PolarHBondContact O-N 2.94Å; F365-I384 HydrophobicContact CD2-CD1 4.37Å; F365-I384 HydrophobicContact CE2-CD1 4.21Å; F365-Y432 WeakPolarHBondContact CA-OH 3.42Å; F365-Y432 HydrophobicContact CB-CD2 4.21Å; F365-Y432 HydrophobicContact CB-CE2 3.6Å
366Y94.3Very high91.9Very high6 Ų612.1 Ų12.12%0.0246%0.056CC..Hα-helixtrans-64.3-48.9176.3-78.5-66000111.4F139 L159 N361 G364 G368 A369 A370 I384F139-Y366 AromaticContact CD1-CE1 3.99Å; F139-Y366 HydrophobicContact CD1-CE1 3.99Å; F139-Y366 AromaticContact CE1-CE1 3.67Å; F139-Y366 HydrophobicContact CE1-CE1 3.67Å; F139-Y366 AromaticContact CE1-CZ 3.74Å; F139-Y366 WeakPolarHBondContact CE1-OH 3.48Å; F139-Y366 WeakPolarHBondContact CZ-OH 3.39Å; L159-Y366 VanDerWaalsContact CD1-C 3.49Å; L159-Y366 WeakPolarHBondContact CD1-O 3.47Å; N361-Y366 HydrophobicContact CB-CD2 4.2Å; N361-Y366 HydrophobicContact CB-CE2 4.29Å; N361-Y366 WeakPolarHBondContact O-CD2 3.08Å; N361-Y366 PolarHBondContact O-N 2.93Å; G364-Y366 VanDerWaalsContact C-N 3.32Å; G364-Y366 PolarHBondContact O-N 3.29Å; Y366-G368 VanDerWaalsContact C-N 3.33Å; Y366-A369 PolarHBondContact O-N 3.22Å; Y366-A370 PolarHBondContact O-N 3.15Å; Y366-A370 VanDerWaalsContact O-N 3.13Å; Y366-I384 HydrophobicContact CD1-CD1 3.77Å; Y366-I384 HydrophobicContact CE1-CD1 3.54Å; Y366-I384 HydrophobicContact CE1-CG2 4.38Å
367K94.2Very high91.6Very high4 Ų412 Ų122%0.0176%0.055CC..Hα-helixtrans-64.7-40175.6-179.4169.5-179.6170.10111.2V155 L159 S306 D307 E314 L318 C362 G364 A369 A370 L371V155-K367 HydrophobicContact CG1-CD 4.25Å; V155-K367 HydrophobicContact CG1-CG 3.83Å; L159-K367 HydrophobicContact CD1-CB 4.19Å; S306-K367 PolarHBondContact O-NZ 3.18Å; S306-K367 WeakPolarHBondContact OG-CD 3.41Å; S306-K367 PolarHBondContact OG-NZ 2.99Å; D307-K367 IonicContact OD1-NZ 3.45Å; D307-K367 PolarHBondContact OD1-NZ 3.4Å; E314-K367 IonicContact OE2-NZ 2.78Å; L318-K367 HydrophobicContact CD2-CB 3.9Å; L318-K367 HydrophobicContact CD2-CD 4.2Å; L318-K367 HydrophobicContact CD2-CG 3.81Å; C362-K367 VanDerWaalsContact O-CB 3.31Å; C362-K367 WeakPolarHBondContact O-CB 3.27Å; C362-K367 PolarHBondContact O-N 3.38Å; G364-K367 PolarHBondContact O-N 3.1Å; K367-A369 PolarHBondContact O-N 3.35Å; K367-A370 PolarHBondContact O-N 3.41Å; K367-L371 HydrophobicContact CG-CD1 3.98Å; K367-L371 HydrophobicContact CG-CG 4.26Å; K367-L371 WeakPolarHBondContact O-CG 3.26Å; K367-L371 PolarHBondContact O-N 3.32Å
368G93.3Very high91.1Very high0 Ų011.5 Ų11.50%05%0.051CC..Hα-helixtrans-56.2-49.117400000112.3G364 F365 Y366 A370 L371 I372G364-G368 PolarHBondContact O-N 2.91Å; F365-G368 PolarHBondContact O-N 2.72Å; Y366-G368 VanDerWaalsContact C-N 3.33Å; G368-A370 VanDerWaalsContact C-N 3.34Å; G368-A370 PolarHBondContact O-N 3.06Å; G368-L371 PolarHBondContact O-N 3.36Å; G368-I372 WeakPolarHBondContact O-CB 3.14Å; G368-I372 WeakPolarHBondContact O-CD1 3.37Å; G368-I372 VanDerWaalsContact O-CG1 3.26Å; G368-I372 WeakPolarHBondContact O-CG1 3.4Å; G368-I372 PolarHBondContact O-N 3.43Å
369A93.5Very high90.7Very high1 Ų111.4 Ų11.41%0.0085%0.051CC..Hα-helixtrans-55.4-48.1174.300000112.1V252 F365 Y366 K367 L371 S373 V380 I381V252-A369 HydrophobicContact CG1-CB 3.75Å; V252-A369 HydrophobicContact CG2-CB 4.36Å; F365-A369 WeakPolarHBondContact O-CB 3.31Å; F365-A369 PolarHBondContact O-N 2.94Å; Y366-A369 PolarHBondContact O-N 3.22Å; K367-A369 PolarHBondContact O-N 3.35Å; A369-L371 PolarHBondContact O-N 3.46Å; A369-S373 WeakPolarHBondContact O-CB 3.39Å; A369-S373 PolarHBondContact O-N 2.68Å; A369-S373 PolarHBondContact O-OG 3.42Å; A369-V380 HydrophobicContact CB-CG1 3.75Å; A369-I381 HydrophobicContact CB-CG1 3.83Å
370A91.5Very high90.6Very high7 Ų711.5 Ų11.56%0.0585%0.051CC..Hα-helixtrans-64-40.6-178.500000112.7V155 L159 Y366 K367 G368 R374 S377 I381V155-A370 HydrophobicContact CG2-CB 3.77Å; L159-A370 HydrophobicContact CD1-CB 3.98Å; Y366-A370 PolarHBondContact O-N 3.15Å; Y366-A370 VanDerWaalsContact O-N 3.13Å; K367-A370 PolarHBondContact O-N 3.41Å; G368-A370 VanDerWaalsContact C-N 3.34Å; G368-A370 PolarHBondContact O-N 3.06Å; A370-R374 WeakPolarHBondContact O-CA 3.31Å; A370-R374 PolarHBondContact O-N 2.72Å; A370-S377 WeakPolarHBondContact CA-OG 3.36Å; A370-S377 PolarHBondContact O-OG 3.35Å; A370-I381 HydrophobicContact CB-CD1 4.23Å
371L90.8Very high90.4Very high21 Ų219.9 Ų9.911%0.114%0.044CC..Hα-helixtrans-70.1-43.5-180-69.2177.3000112.7I152 V155 L318 K367 G368 A369I152-L371 HydrophobicContact CG2-CD2 3.95Å; V155-L371 HydrophobicContact CG1-CD2 4.19Å; V155-L371 HydrophobicContact CG1-CG 4.49Å; L318-L371 HydrophobicContact CD1-CD1 4.27Å; L318-L371 HydrophobicContact CD2-CD1 4.39Å; K367-L371 HydrophobicContact CG-CD1 3.98Å; K367-L371 HydrophobicContact CG-CG 4.26Å; K367-L371 WeakPolarHBondContact O-CG 3.26Å; K367-L371 PolarHBondContact O-N 3.32Å; G368-L371 PolarHBondContact O-N 3.36Å; A369-L371 PolarHBondContact O-N 3.46Å
372I91.4Very high90.2Very high4 Ų49.7 Ų9.72%0.0214%0.043CC..Hα-helixtrans-68.5-39.6-179-66.4162.9000110.9G368 R437 A441 V444G368-I372 WeakPolarHBondContact O-CB 3.14Å; G368-I372 WeakPolarHBondContact O-CD1 3.37Å; G368-I372 VanDerWaalsContact O-CG1 3.26Å; G368-I372 WeakPolarHBondContact O-CG1 3.4Å; G368-I372 PolarHBondContact O-N 3.43Å; I372-R437 HydrophobicContact CD1-CB 4.45Å; I372-R437 WeakPolarHBondContact CD1-O 3.28Å; I372-R437 HydrophobicContact CG1-CB 4.45Å; I372-R437 WeakPolarHBondContact CG1-O 3.29Å; I372-A441 HydrophobicContact CG2-CB 3.6Å; I372-A441 PolarHBondContact O-N 3.36Å; I372-V444 VanDerWaalsContact O-CG2 3.28Å; I372-V444 WeakPolarHBondContact O-CG2 3.37Å
373S87.9Confident90.1Very high0 Ų011 Ų110%05%0.049CC..Hα-helixtrans-99.8-18.1-170.968.30000114.9A369 Q375 F376 S377 V380A369-S373 WeakPolarHBondContact O-CB 3.39Å; A369-S373 PolarHBondContact O-N 2.68Å; A369-S373 PolarHBondContact O-OG 3.42Å; S373-Q375 PolarHBondContact O-N 2.76Å; S373-F376 WeakPolarHBondContact O-CA 3.19Å; S373-F376 WeakPolarHBondContact O-CB 3.47Å; S373-F376 PolarHBondContact O-N 2.95Å; S373-S377 WeakPolarHBondContact OG-CA 3.37Å; S373-S377 PolarHBondContact OG-N 3.02Å; S373-S377 PolarHBondContact OG-OG 3.18Å; S373-V380 VanDerWaalsContact CB-CG2 3.5Å
374R86.1Confident90.1Very high87 Ų8711 Ų1133%0.3285%0.049SC..G310 helixtrans44.4-110.5178.7-62.2-168.4173.4169.2-3.1113A370 F376 S377 P440 V444 E448A370-R374 WeakPolarHBondContact O-CA 3.31Å; A370-R374 PolarHBondContact O-N 2.72Å; R374-F376 PolarHBondContact O-N 3.1Å; R374-F376 VanDerWaalsContact O-N 3.14Å; R374-S377 VanDerWaalsContact O-CB 3.24Å; R374-S377 WeakPolarHBondContact O-CB 3.5Å; R374-S377 PolarHBondContact O-N 3.16Å; R374-S377 PolarHBondContact O-OG 3.1Å; R374-P440 VanDerWaalsContact NE-CG 3.31Å; R374-V444 HydrophobicContact CB-CG1 4.04Å; R374-V444 HydrophobicContact CG-CG1 4.2Å; R374-E448 IonicContact CZ-OE1 3.25Å; R374-E448 IonicContact NH1-OE1 3.65Å; R374-E448 PolarHBondContact NH1-OE1 3.04Å; R374-E448 IonicContact NH1-OE2 3.86Å; R374-E448 PolarHBondContact NH1-OE2 3.37Å
375Q80.8Confident90Very high52 Ų5211.1 Ų11.124%0.2435%0.049CC..G310 helixtrans-61.6-19.5179.164.3-174.2-2.700113.9S373 Y378S373-Q375 PolarHBondContact O-N 2.76Å; Q375-Y378 VanDerWaalsContact O-CD1 3.32Å; Q375-Y378 WeakPolarHBondContact O-CD1 3.42Å; Q375-Y378 VanDerWaalsContact O-CE1 3.29Å; Q375-Y378 WeakPolarHBondContact O-CE1 3.49Å
376F85.1Confident89.9Confident15 Ų1513.3 Ų13.37%0.0666%0.061CC..G310 helixtrans-94.111.8174.2-55.5-70.2000113.9T238 P239 S373 R374 Y378 F379 V380 F443 V444 A447T238-F376 HydrophobicContact CG2-CD1 4.43Å; P239-F376 VanDerWaalsContact CD-CE1 3.41Å; P239-F376 HydrophobicContact CG-CE1 4.21Å; P239-F376 HydrophobicContact CG-CE2 4.21Å; P239-F376 HydrophobicContact CG-CZ 3.99Å; S373-F376 WeakPolarHBondContact O-CA 3.19Å; S373-F376 WeakPolarHBondContact O-CB 3.47Å; S373-F376 PolarHBondContact O-N 2.95Å; R374-F376 PolarHBondContact O-N 3.1Å; R374-F376 VanDerWaalsContact O-N 3.14Å; F376-Y378 VanDerWaalsContact C-N 3.26Å; F376-Y378 HydrophobicContact CB-CE1 4.38Å; F376-Y378 HydrophobicContact CD1-CE1 4.07Å; F376-Y378 PolarHBondContact O-N 3.43Å; F376-F379 WeakPolarHBondContact O-CB 3.25Å; F376-F379 PolarHBondContact O-N 3.31Å; F376-V380 PolarHBondContact O-N 3.04Å; F376-F443 HydrophobicContact CB-CE2 4.13Å; F376-F443 AromaticContact CD2-CD2 3.7Å; F376-F443 HydrophobicContact CD2-CD2 3.7Å; F376-F443 AromaticContact CD2-CE2 3.73Å; F376-F443 HydrophobicContact CD2-CE2 3.73Å; F376-F443 HydrophobicContact CE2-CD2 4.09Å; F376-F443 HydrophobicContact CG-CD2 4.48Å; F376-F443 HydrophobicContact CG-CE2 4.26Å; F376-V444 HydrophobicContact CD2-CG2 4.21Å; F376-A447 HydrophobicContact CE2-CB 3.92Å; F376-A447 HydrophobicContact CZ-CB 3.99Å
377S86.1Confident89.8Confident2 Ų214.1 Ų14.11%0.0147%0.065CC..Hα-helixtrans-57.5-35.4178.7-63.90000113.5A370 S373 R374 F379 V380 I381A370-S377 WeakPolarHBondContact CA-OG 3.36Å; A370-S377 PolarHBondContact O-OG 3.35Å; S373-S377 WeakPolarHBondContact OG-CA 3.37Å; S373-S377 PolarHBondContact OG-N 3.02Å; S373-S377 PolarHBondContact OG-OG 3.18Å; R374-S377 VanDerWaalsContact O-CB 3.24Å; R374-S377 WeakPolarHBondContact O-CB 3.5Å; R374-S377 PolarHBondContact O-N 3.16Å; R374-S377 PolarHBondContact O-OG 3.1Å; S377-F379 PolarHBondContact O-N 3.46Å; S377-V380 PolarHBondContact O-N 2.8Å; S377-I381 WeakPolarHBondContact O-CB 3.27Å; S377-I381 WeakPolarHBondContact O-CG1 3.37Å; S377-I381 PolarHBondContact O-N 2.93Å
378Y84.8Confident89.6Confident1 Ų114.6 Ų14.60%0.0047%0.067CC..Hα-helixtrans-56-34.3174.270.9-80.9000112.9Q91 Y144 R232 T238 Q375 F376 G382Q91-Y378 HydrophobicContact CG-CD2 4.39Å; Q91-Y378 HydrophobicContact CG-CE2 3.81Å; Y144-Y378 HydrophobicContact CD2-CD2 4.42Å; Y144-Y378 HydrophobicContact CD2-CG 4.15Å; Y144-Y378 HydrophobicContact CE1-CG 4.16Å; Y144-Y378 AromaticContact CE2-CD2 3.56Å; Y144-Y378 HydrophobicContact CE2-CD2 3.56Å; Y144-Y378 AromaticContact CE2-CG 3.67Å; Y144-Y378 HydrophobicContact CE2-CG 3.67Å; Y144-Y378 AromaticContact CZ-CD2 3.61Å; Y144-Y378 AromaticContact CZ-CG 3.66Å; Y144-Y378 WeakPolarHBondContact OH-CD2 3.4Å; R232-Y378 VanDerWaalsContact CZ-CZ 3.42Å; R232-Y378 PolarHBondContact NH2-OH 3.27Å; T238-Y378 WeakPolarHBondContact CG2-OH 3.49Å; T238-Y378 PolarHBondContact OG1-OH 2.79Å; Q375-Y378 VanDerWaalsContact O-CD1 3.32Å; Q375-Y378 WeakPolarHBondContact O-CD1 3.42Å; Q375-Y378 VanDerWaalsContact O-CE1 3.29Å; Q375-Y378 WeakPolarHBondContact O-CE1 3.49Å; F376-Y378 VanDerWaalsContact C-N 3.26Å; F376-Y378 HydrophobicContact CB-CE1 4.38Å; F376-Y378 HydrophobicContact CD1-CE1 4.07Å; F376-Y378 PolarHBondContact O-N 3.43Å; Y378-G382 VanDerWaalsContact O-CA 3.26Å; Y378-G382 WeakPolarHBondContact O-CA 3.46Å; Y378-G382 PolarHBondContact O-N 3.04Å
379F87.3Confident89.5Confident1 Ų114.8 Ų14.80%0.0047%0.068CC..Hα-helixtrans-80.7-53.6-179.5-176.1-95.6000110.3T238 Y240 V243 F376 S377 I381 G382 Y383T238-F379 HydrophobicContact CG2-CB 4.22Å; T238-F379 HydrophobicContact CG2-CD1 4.38Å; T238-F379 HydrophobicContact CG2-CD2 3.84Å; T238-F379 HydrophobicContact CG2-CE2 4.33Å; T238-F379 HydrophobicContact CG2-CG 3.87Å; Y240-F379 AromaticContact CD1-CE2 3.51Å; Y240-F379 HydrophobicContact CD1-CE2 3.51Å; Y240-F379 AromaticContact CD1-CZ 3.57Å; Y240-F379 HydrophobicContact CD1-CZ 3.57Å; Y240-F379 HydrophobicContact CE1-CD2 4.19Å; Y240-F379 AromaticContact CE1-CE2 3.34Å; Y240-F379 HydrophobicContact CE1-CE2 3.34Å; Y240-F379 AromaticContact CE1-CZ 3.93Å; Y240-F379 HydrophobicContact CE1-CZ 3.93Å; V243-F379 HydrophobicContact CB-CD1 4.34Å; V243-F379 HydrophobicContact CB-CE1 4.03Å; V243-F379 HydrophobicContact CG1-CD1 3.75Å; V243-F379 HydrophobicContact CG1-CE1 3.59Å; V243-F379 HydrophobicContact CG2-CD1 4.41Å; F376-F379 WeakPolarHBondContact O-CB 3.25Å; F376-F379 PolarHBondContact O-N 3.31Å; S377-F379 PolarHBondContact O-N 3.46Å; F379-I381 PolarHBondContact O-N 3.39Å; F379-G382 PolarHBondContact O-N 3.11Å; F379-Y383 HydrophobicContact CD1-CD2 4.46Å; F379-Y383 HydrophobicContact CD2-CD2 4.01Å; F379-Y383 AromaticContact CD2-CE2 3.6Å; F379-Y383 HydrophobicContact CD2-CE2 3.6Å; F379-Y383 HydrophobicContact CE1-CD2 4.26Å; F379-Y383 HydrophobicContact CE1-CE2 4.2Å; F379-Y383 AromaticContact CE2-CD2 3.78Å; F379-Y383 HydrophobicContact CE2-CD2 3.78Å; F379-Y383 AromaticContact CE2-CE2 3.05Å; F379-Y383 HydrophobicContact CE2-CE2 3.05Å; F379-Y383 AromaticContact CE2-CZ 3.56Å; F379-Y383 HydrophobicContact CG-CD2 4.34Å; F379-Y383 HydrophobicContact CG-CE2 4.35Å; F379-Y383 AromaticContact CZ-CD2 3.92Å; F379-Y383 HydrophobicContact CZ-CD2 3.92Å; F379-Y383 HydrophobicContact CZ-CE1 4.29Å; F379-Y383 AromaticContact CZ-CE2 3.41Å; F379-Y383 HydrophobicContact CZ-CE2 3.41Å; F379-Y383 VanDerWaalsContact CZ-CE2 3.41Å; F379-Y383 AromaticContact CZ-CZ 3.6Å; F379-Y383 VanDerWaalsContact O-CD2 3.25Å; F379-Y383 WeakPolarHBondContact O-CD2 3.39Å; F379-Y383 PolarHBondContact O-N 3.32Å
380V91.4Very high89.5Confident1 Ų117.7 Ų17.71%0.0068%0.083CC..Hα-helixtrans-65.1-44.4-176.6176.70000111.9V243 V249 W253 A369 S373 F376 S377V243-V380 HydrophobicContact CG1-CG2 3.86Å; V249-V380 HydrophobicContact CG1-CG1 4.17Å; V249-V380 HydrophobicContact CG1-CG2 4.42Å; V249-V380 HydrophobicContact CG2-CG2 4.34Å; W253-V380 PolarHBondContact NE1-O 3.04Å; A369-V380 HydrophobicContact CB-CG1 3.75Å; S373-V380 VanDerWaalsContact CB-CG2 3.5Å; F376-V380 PolarHBondContact O-N 3.04Å; S377-V380 PolarHBondContact O-N 2.8Å
381I92.3Very high89.5Confident0 Ų017.3 Ų17.30%08%0.08CC..Hα-helixtrans-72.4-39.9175.5-59.7177.2000110.1F139 V142 L159 A369 A370 S377 F379 Y383 I384F139-I381 WeakPolarHBondContact CB-O 3.15Å; F139-I381 HydrophobicContact CD1-CG2 4.46Å; F139-I381 WeakPolarHBondContact O-CG2 3.16Å; V142-I381 HydrophobicContact CG1-CG2 4.3Å; L159-I381 HydrophobicContact CD2-CD1 3.93Å; A369-I381 HydrophobicContact CB-CG1 3.83Å; A370-I381 HydrophobicContact CB-CD1 4.23Å; S377-I381 WeakPolarHBondContact O-CB 3.27Å; S377-I381 WeakPolarHBondContact O-CG1 3.37Å; S377-I381 PolarHBondContact O-N 2.93Å; F379-I381 PolarHBondContact O-N 3.39Å; I381-Y383 VanDerWaalsContact C-N 3.26Å; I381-Y383 PolarHBondContact O-N 3.17Å; I381-I384 HydrophobicContact CG2-CD1 4.23Å; I381-I384 WeakPolarHBondContact O-CB 3.12Å; I381-I384 WeakPolarHBondContact O-CG1 3.26Å; I381-I384 PolarHBondContact O-N 3.39Å
382G89.7Confident89.3Confident1 Ų117 Ų171%0.018%0.079CC..Hα-helixtrans-57.8-37.7177.800000113.3Y378 F379 I384 Q385Y378-G382 VanDerWaalsContact O-CA 3.26Å; Y378-G382 WeakPolarHBondContact O-CA 3.46Å; Y378-G382 PolarHBondContact O-N 3.04Å; F379-G382 PolarHBondContact O-N 3.11Å; G382-I384 PolarHBondContact O-N 3.42Å; G382-Q385 VanDerWaalsContact O-CB 3.26Å; G382-Q385 WeakPolarHBondContact O-CB 3.47Å; G382-Q385 PolarHBondContact O-N 3.09Å; G382-Q385 VanDerWaalsContact O-N 3.09Å
383Y91.3Very high89.2Confident29 Ų2919.1 Ų19.111%0.1149%0.09CC..THydrogen-bonded Turntrans-70.4-11.8177-90.4-111.5000114.2M83 W253 F379 I381 Q385 L386 F387M83-Y383 HydrophobicContact CE-CD1 4.31Å; M83-Y383 HydrophobicContact CE-CE1 4.08Å; W253-Y383 HydrophobicContact CZ2-CD1 4.43Å; W253-Y383 HydrophobicContact CZ2-CG 4.17Å; F379-Y383 HydrophobicContact CD1-CD2 4.46Å; F379-Y383 HydrophobicContact CD2-CD2 4.01Å; F379-Y383 AromaticContact CD2-CE2 3.6Å; F379-Y383 HydrophobicContact CD2-CE2 3.6Å; F379-Y383 HydrophobicContact CE1-CD2 4.26Å; F379-Y383 HydrophobicContact CE1-CE2 4.2Å; F379-Y383 AromaticContact CE2-CD2 3.78Å; F379-Y383 HydrophobicContact CE2-CD2 3.78Å; F379-Y383 AromaticContact CE2-CE2 3.05Å; F379-Y383 HydrophobicContact CE2-CE2 3.05Å; F379-Y383 AromaticContact CE2-CZ 3.56Å; F379-Y383 HydrophobicContact CG-CD2 4.34Å; F379-Y383 HydrophobicContact CG-CE2 4.35Å; F379-Y383 AromaticContact CZ-CD2 3.92Å; F379-Y383 HydrophobicContact CZ-CD2 3.92Å; F379-Y383 HydrophobicContact CZ-CE1 4.29Å; F379-Y383 AromaticContact CZ-CE2 3.41Å; F379-Y383 HydrophobicContact CZ-CE2 3.41Å; F379-Y383 VanDerWaalsContact CZ-CE2 3.41Å; F379-Y383 AromaticContact CZ-CZ 3.6Å; F379-Y383 VanDerWaalsContact O-CD2 3.25Å; F379-Y383 WeakPolarHBondContact O-CD2 3.39Å; F379-Y383 PolarHBondContact O-N 3.32Å; I381-Y383 VanDerWaalsContact C-N 3.26Å; I381-Y383 PolarHBondContact O-N 3.17Å; Y383-Q385 PolarHBondContact O-N 3.1Å; Y383-L386 HydrophobicContact CD1-CD2 4.33Å; Y383-L386 WeakPolarHBondContact O-CB 3.48Å; Y383-L386 PolarHBondContact O-N 3.18Å; Y383-F387 WeakPolarHBondContact O-CD2 3.12Å
384I92.6Very high89.3Confident0 Ų022.7 Ų22.70%011%0.109CC..Hα-helixtrans-59.2-28.7168.1-62.3172.9000110.2I260 F365 Y366 I381 G382 L386 F387 K388I260-I384 HydrophobicContact CD1-CG2 3.88Å; F365-I384 HydrophobicContact CD2-CD1 4.37Å; F365-I384 HydrophobicContact CE2-CD1 4.21Å; Y366-I384 HydrophobicContact CD1-CD1 3.77Å; Y366-I384 HydrophobicContact CE1-CD1 3.54Å; Y366-I384 HydrophobicContact CE1-CG2 4.38Å; I381-I384 HydrophobicContact CG2-CD1 4.23Å; I381-I384 WeakPolarHBondContact O-CB 3.12Å; I381-I384 WeakPolarHBondContact O-CG1 3.26Å; I381-I384 PolarHBondContact O-N 3.39Å; G382-I384 PolarHBondContact O-N 3.42Å; I384-L386 VanDerWaalsContact C-N 3.26Å; I384-L386 PolarHBondContact O-N 3.27Å; I384-F387 PolarHBondContact O-N 3.49Å; I384-K388 PolarHBondContact O-N 3.14Å
385Q92.2Very high89.4Confident1 Ų118.7 Ų18.71%0.0059%0.094CC..Hα-helixtrans-60.4-34.2173.5-173.860.15400112.6S79 M83 F139 G382 Y383 K388 S389S79-Q385 PolarHBondContact OG-NE2 2.81Å; M83-Q385 HydrophobicContact CG-CB 4.43Å; M83-Q385 HydrophobicContact SD-CB 4.41Å; F139-Q385 HydrophobicContact CB-CB 4.38Å; F139-Q385 HydrophobicContact CD2-CB 4.28Å; G382-Q385 VanDerWaalsContact O-CB 3.26Å; G382-Q385 WeakPolarHBondContact O-CB 3.47Å; G382-Q385 PolarHBondContact O-N 3.09Å; G382-Q385 VanDerWaalsContact O-N 3.09Å; Y383-Q385 PolarHBondContact O-N 3.1Å; Q385-K388 WeakPolarHBondContact O-CB 3.5Å; Q385-K388 PolarHBondContact O-N 2.96Å; Q385-S389 PolarHBondContact NE2-OG 3.4Å; Q385-S389 VanDerWaalsContact NE2-OG 3.12Å; Q385-S389 PolarHBondContact O-N 2.75Å; Q385-S389 PolarHBondContact O-OG 3.46Å
386L91.9Very high89.5Confident47 Ų4716.9 Ų16.925%0.2469%0.087CC..Hα-helixtrans-58.9-52.3175.5-176.264.4000110.2L80 M83 Y383 I384 K388 S389 L390L80-L386 HydrophobicContact CD2-CD1 3.62Å; M83-L386 HydrophobicContact CE-CB 3.93Å; M83-L386 HydrophobicContact CE-CD1 3.82Å; M83-L386 HydrophobicContact CE-CD2 4.43Å; M83-L386 HydrophobicContact CE-CG 4.27Å; M83-L386 HydrophobicContact SD-CB 3.5Å; M83-L386 VanDerWaalsContact SD-CB 3.5Å; M83-L386 HydrophobicContact SD-CD1 4.25Å; M83-L386 HydrophobicContact SD-CG 4.42Å; M83-L386 PolarHBondContact SD-N 2.85Å; M83-L386 VanDerWaalsContact SD-N 3.44Å; Y383-L386 HydrophobicContact CD1-CD2 4.33Å; Y383-L386 WeakPolarHBondContact O-CB 3.48Å; Y383-L386 PolarHBondContact O-N 3.18Å; I384-L386 VanDerWaalsContact C-N 3.26Å; I384-L386 PolarHBondContact O-N 3.27Å; L386-K388 VanDerWaalsContact C-N 3.31Å; L386-K388 PolarHBondContact O-N 3.14Å; L386-S389 PolarHBondContact O-N 2.65Å; L386-L390 HydrophobicContact CG-CD1 4.24Å; L386-L390 WeakPolarHBondContact O-CG 3.45Å; L386-L390 PolarHBondContact O-N 3.49Å
387F91.3Very high89.6Confident23 Ų2319.6 Ų19.610%0.10110%0.104CC..Hα-helixtrans-67-34.9-178.2-68-80.5000111.7W250 W253 F257 Y383 I384 L390 A391W250-F387 HydrophobicContact CZ3-CE1 4.45Å; W250-F387 AromaticContact CZ3-CZ 3.99Å; W250-F387 HydrophobicContact CZ3-CZ 3.99Å; W253-F387 HydrophobicContact CB-CD2 3.75Å; W253-F387 HydrophobicContact CB-CE1 4.22Å; W253-F387 HydrophobicContact CB-CE2 3.35Å; W253-F387 HydrophobicContact CB-CG 4.37Å; W253-F387 HydrophobicContact CB-CZ 3.61Å; W253-F387 HydrophobicContact CD2-CD2 4.48Å; W253-F387 AromaticContact CD2-CE2 3.59Å; W253-F387 HydrophobicContact CD2-CE2 3.59Å; W253-F387 HydrophobicContact CD2-CZ 4.15Å; W253-F387 AromaticContact CE3-CE2 3.88Å; W253-F387 HydrophobicContact CE3-CE2 3.88Å; W253-F387 HydrophobicContact CE3-CZ 4.03Å; W253-F387 AromaticContact CG-CD2 3.88Å; W253-F387 HydrophobicContact CG-CD2 3.88Å; W253-F387 AromaticContact CG-CE2 3.37Å; W253-F387 HydrophobicContact CG-CE2 3.37Å; W253-F387 HydrophobicContact CG-CZ 4.02Å; F257-F387 HydrophobicContact CB-CB 3.98Å; F257-F387 HydrophobicContact CB-CD1 3.94Å; F257-F387 HydrophobicContact CB-CG 4.3Å; F257-F387 HydrophobicContact CD2-CB 4.29Å; F257-F387 HydrophobicContact CD2-CD1 4.28Å; F257-F387 HydrophobicContact CG-CD1 4.42Å; Y383-F387 WeakPolarHBondContact O-CD2 3.12Å; I384-F387 PolarHBondContact O-N 3.49Å; F387-L390 PolarHBondContact O-N 3.29Å; F387-A391 VanDerWaalsContact O-CB 3.29Å; F387-A391 WeakPolarHBondContact O-CB 3.44Å; F387-A391 PolarHBondContact O-N 3.26Å
388K90.6Very high89.8Confident14 Ų1421 Ų216%0.06111%0.111CC..Hα-helixtrans-57.7-51.4169.8175.5164.2-178.3179.30111.5Y135 F139 I260 I384 Q385 L386 L390 A391 T392Y135-K388 PolarHBondContact OH-NZ 2.84Å; F139-K388 HydrophobicContact CE2-CD 3.71Å; I260-K388 HydrophobicContact CD1-CB 3.76Å; I260-K388 HydrophobicContact CD1-CG 4.38Å; I260-K388 HydrophobicContact CG2-CB 4.24Å; I260-K388 HydrophobicContact CG2-CG 3.98Å; I384-K388 PolarHBondContact O-N 3.14Å; Q385-K388 WeakPolarHBondContact O-CB 3.5Å; Q385-K388 PolarHBondContact O-N 2.96Å; L386-K388 VanDerWaalsContact C-N 3.31Å; L386-K388 PolarHBondContact O-N 3.14Å; K388-L390 VanDerWaalsContact C-N 3.32Å; K388-L390 PolarHBondContact O-N 2.85Å; K388-A391 WeakPolarHBondContact O-CB 3.33Å; K388-A391 PolarHBondContact O-N 3.45Å; K388-T392 PolarHBondContact O-N 3.17Å; K388-T392 PolarHBondContact O-OG1 3.44Å; K388-T392 VanDerWaalsContact O-OG1 3.07Å
389S91.7Very high89.8Confident3 Ų322.2 Ų22.22%0.02112%0.117CC..Hα-helixtrans-68-34.4-176.9-57.10000112S79 Q385 L386 L393S79-S389 VanDerWaalsContact CB-OG 3.3Å; S79-S389 WeakPolarHBondContact CB-OG 3.47Å; S79-S389 PolarHBondContact OG-OG 2.97Å; Q385-S389 PolarHBondContact NE2-OG 3.4Å; Q385-S389 VanDerWaalsContact NE2-OG 3.12Å; Q385-S389 PolarHBondContact O-N 2.75Å; Q385-S389 PolarHBondContact O-OG 3.46Å; L386-S389 PolarHBondContact O-N 2.65Å; S389-L393 WeakPolarHBondContact O-CB 3.3Å; S389-L393 PolarHBondContact O-N 3.36Å; S389-L393 VanDerWaalsContact O-N 3.09Å
390L92.6Very high89.5Confident62 Ų6225.2 Ų25.233%0.32514%0.138SC..Hα-helixtrans-63.3-46.5170.4-71.2172.8000111.6L80 F257 L386 F387 K388 T392 L393 L394L80-L390 HydrophobicContact CD1-CD2 4.33Å; L80-L390 HydrophobicContact CD2-CD2 4.2Å; L80-L390 HydrophobicContact CD2-CG 4.13Å; F257-L390 HydrophobicContact CE2-CB 4.24Å; L386-L390 HydrophobicContact CG-CD1 4.24Å; L386-L390 WeakPolarHBondContact O-CG 3.45Å; L386-L390 PolarHBondContact O-N 3.49Å; F387-L390 PolarHBondContact O-N 3.29Å; K388-L390 VanDerWaalsContact C-N 3.32Å; K388-L390 PolarHBondContact O-N 2.85Å; L390-T392 PolarHBondContact O-N 3.3Å; L390-L393 PolarHBondContact O-N 2.88Å; L390-L394 WeakPolarHBondContact O-CB 3.34Å; L390-L394 VanDerWaalsContact O-CG 3.3Å; L390-L394 WeakPolarHBondContact O-CG 3.39Å; L390-L394 PolarHBondContact O-N 3.43Å
391A91.6Very high89.2Confident0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-59-47.6177.100000111.1F257 I260 F261 F387 K388 L393 L394 E395F257-A391 HydrophobicContact CD2-CB 4.07Å; F257-A391 HydrophobicContact CE2-CB 3.88Å; I260-A391 HydrophobicContact CG2-CB 4.04Å; F261-A391 HydrophobicContact CB-CB 3.88Å; F261-A391 HydrophobicContact CD2-CB 3.94Å; F261-A391 HydrophobicContact CG-CB 4.4Å; F387-A391 VanDerWaalsContact O-CB 3.29Å; F387-A391 WeakPolarHBondContact O-CB 3.44Å; F387-A391 PolarHBondContact O-N 3.26Å; K388-A391 WeakPolarHBondContact O-CB 3.33Å; K388-A391 PolarHBondContact O-N 3.45Å; A391-L393 PolarHBondContact O-N 2.86Å; A391-L394 PolarHBondContact O-N 3.45Å; A391-E395 VanDerWaalsContact O-CB 3.3Å; A391-E395 WeakPolarHBondContact O-CB 3.33Å; A391-E395 PolarHBondContact O-N 3.25Å
392T87Confident88.9Confident14 Ų1433.1 Ų33.19%0.08618%0.179CC..Hα-helixtrans-62-29.4177.3-55.60000113.3A76 F264 K388 L390 P396A76-T392 HydrophobicContact CB-CG2 4.07Å; F264-T392 HydrophobicContact CD1-CG2 4.43Å; F264-T392 HydrophobicContact CE1-CG2 3.66Å; F264-T392 WeakPolarHBondContact CE1-OG1 3.49Å; F264-T392 HydrophobicContact CZ-CG2 4.22Å; F264-T392 WeakPolarHBondContact CZ-OG1 3.37Å; K388-T392 PolarHBondContact O-N 3.17Å; K388-T392 PolarHBondContact O-OG1 3.44Å; K388-T392 VanDerWaalsContact O-OG1 3.07Å; L390-T392 PolarHBondContact O-N 3.3Å; T392-P396 WeakPolarHBondContact O-CD 3.39Å
393L88.6Confident88.4Confident48 Ų4833.4 Ų33.425%0.25118%0.18SC..Hα-helixtrans-80-39.1177.5-167.5150.6000112.1A76 I77 L80 S389 L390 A391A76-L393 HydrophobicContact CB-CB 4.22Å; I77-L393 HydrophobicContact CG1-CD1 3.72Å; L80-L393 HydrophobicContact CD1-CD1 4.22Å; S389-L393 WeakPolarHBondContact O-CB 3.3Å; S389-L393 PolarHBondContact O-N 3.36Å; S389-L393 VanDerWaalsContact O-N 3.09Å; L390-L393 PolarHBondContact O-N 2.88Å; A391-L393 PolarHBondContact O-N 2.86Å
394L90.4Very high87.5Confident76 Ų7636.8 Ų36.840%0.39820%0.2SC..Hα-helixtrans-74.9-28.4-179.8-69173.6000112.6F257 F261 L390 A391 V397 L398F257-L394 HydrophobicContact CE2-CD1 4.07Å; F257-L394 HydrophobicContact CZ-CD1 3.84Å; F261-L394 HydrophobicContact CE2-CB 3.83Å; L390-L394 WeakPolarHBondContact O-CB 3.34Å; L390-L394 VanDerWaalsContact O-CG 3.3Å; L390-L394 WeakPolarHBondContact O-CG 3.39Å; L390-L394 PolarHBondContact O-N 3.43Å; A391-L394 PolarHBondContact O-N 3.45Å; L394-V397 PolarHBondContact O-N 3.32Å; L394-L398 PolarHBondContact O-N 2.92Å
395E87.8Confident86.1Confident2 Ų241.8 Ų41.81%0.00923%0.233CC..Hα-helixtrans-60.4-50.7-173.8-174.663.7-141.700113F261 F264 Y269 A391 V397 L398 F399 Y417 H421F261-E395 HydrophobicContact CD2-CB 4.43Å; F261-E395 VanDerWaalsContact CD2-OE2 3.3Å; F261-E395 WeakPolarHBondContact CD2-OE2 3.22Å; F261-E395 HydrophobicContact CE2-CB 4.15Å; F261-E395 WeakPolarHBondContact CE2-OE2 3.3Å; F264-E395 HydrophobicContact CB-CG 4.15Å; Y269-E395 HydrophobicContact CE2-CG 4.1Å; A391-E395 VanDerWaalsContact O-CB 3.3Å; A391-E395 WeakPolarHBondContact O-CB 3.33Å; A391-E395 PolarHBondContact O-N 3.25Å; E395-V397 VanDerWaalsContact C-N 3.3Å; E395-V397 PolarHBondContact O-N 3.28Å; E395-L398 PolarHBondContact O-N 3.43Å; E395-F399 PolarHBondContact O-N 3.45Å; E395-Y417 WeakPolarHBondContact OE1-CE2 3.44Å; E395-Y417 PolarHBondContact OE1-OH 3.27Å; E395-H421 IonicContact OE1-CE1 3.21Å; E395-H421 IonicContact OE1-NE2 2.75Å; E395-H421 IonicContact OE2-CE1 3.87Å; E395-H421 IonicContact OE2-NE2 2.68Å; E395-H421 PolarHBondContact OE2-NE2 3.07Å
396P84.4Confident84.7Confident15 Ų1545.6 Ų45.610%0.09727%0.272CS..Hα-helixtrans-66.8-30.5177.1-20.534.3000114.1Y269 T392 S400Y269-P396 VanDerWaalsContact OH-CA 3.24Å; Y269-P396 WeakPolarHBondContact OH-CA 3.4Å; Y269-P396 WeakPolarHBondContact OH-CB 3.44Å; T392-P396 WeakPolarHBondContact O-CD 3.39Å; P396-S400 WeakPolarHBondContact O-CB 3.25Å; P396-S400 PolarHBondContact O-N 3.48Å; P396-S400 PolarHBondContact O-OG 2.81Å
397V86.6Confident83.6Confident71 Ų7144.6 Ų44.643%0.4327%0.269SS..Hα-helixtrans-66.4-45.6175.5178.70000109.9L394 E395 S400 L401L394-V397 PolarHBondContact O-N 3.32Å; E395-V397 VanDerWaalsContact C-N 3.3Å; E395-V397 PolarHBondContact O-N 3.28Å; V397-S400 PolarHBondContact O-OG 3.34Å; V397-S400 VanDerWaalsContact O-OG 3.05Å; V397-L401 HydrophobicContact CG1-CD1 4Å; V397-L401 WeakPolarHBondContact O-CB 3.43Å; V397-L401 VanDerWaalsContact O-CG 3.23Å; V397-L401 WeakPolarHBondContact O-CG 3.34Å; V397-L401 PolarHBondContact O-N 3.01Å; V397-L401 VanDerWaalsContact O-N 3.13Å
398L89.1Confident82.6Confident33 Ų3348.9 Ų48.917%0.17329%0.289CS..Hα-helixtrans-63.2-44.6176.7-175.963.5000111.5F261 L394 E395 L401 L402 Y417 I420F261-L398 HydrophobicContact CE1-CD2 3.87Å; F261-L398 HydrophobicContact CZ-CB 4.43Å; F261-L398 HydrophobicContact CZ-CD2 3.55Å; L394-L398 PolarHBondContact O-N 2.92Å; E395-L398 PolarHBondContact O-N 3.43Å; L398-L401 PolarHBondContact O-N 3.32Å; L398-L402 HydrophobicContact CD1-CD1 3.58Å; L398-L402 HydrophobicContact CD1-CG 4.26Å; L398-L402 HydrophobicContact CG-CD1 3.88Å; L398-L402 WeakPolarHBondContact O-CG 3.34Å; L398-L402 PolarHBondContact O-N 3.39Å; L398-Y417 HydrophobicContact CD2-CD2 4.46Å; L398-Y417 HydrophobicContact CD2-CE2 4.41Å; L398-Y417 HydrophobicContact CG-CD2 4.37Å; L398-Y417 HydrophobicContact CG-CE2 4.43Å; L398-I420 HydrophobicContact CD1-CD1 4.38Å; L398-I420 HydrophobicContact CD1-CG2 4.46Å; L398-I420 HydrophobicContact CD2-CG2 3.93Å
399F85.4Confident81.7Confident26 Ų2653.5 Ų53.511%0.11432%0.315CS..Hα-helixtrans-60.7-50178.8-174.9-93.9000111.6Y269 E395 L401 L402 V403 W414 Y417Y269-F399 AromaticContact CD1-CD1 3.86Å; Y269-F399 HydrophobicContact CD1-CD1 3.86Å; Y269-F399 AromaticContact CD1-CD2 3.74Å; Y269-F399 HydrophobicContact CD1-CD2 3.74Å; Y269-F399 AromaticContact CD1-CE1 3.73Å; Y269-F399 HydrophobicContact CD1-CE1 3.73Å; Y269-F399 AromaticContact CD1-CE2 3.6Å; Y269-F399 HydrophobicContact CD1-CE2 3.6Å; Y269-F399 AromaticContact CD1-CG 3.87Å; Y269-F399 HydrophobicContact CD1-CG 3.87Å; Y269-F399 AromaticContact CD1-CZ 3.6Å; Y269-F399 HydrophobicContact CD1-CZ 3.6Å; Y269-F399 HydrophobicContact CD2-CB 4.28Å; Y269-F399 AromaticContact CD2-CD2 3.63Å; Y269-F399 HydrophobicContact CD2-CD2 3.63Å; Y269-F399 HydrophobicContact CD2-CE2 4.13Å; Y269-F399 AromaticContact CD2-CG 3.97Å; Y269-F399 HydrophobicContact CD2-CG 3.97Å; Y269-F399 HydrophobicContact CE1-CB 4.21Å; Y269-F399 AromaticContact CE1-CD1 3.41Å; Y269-F399 HydrophobicContact CE1-CD1 3.41Å; Y269-F399 VanDerWaalsContact CE1-CD1 3.41Å; Y269-F399 AromaticContact CE1-CD2 3.95Å; Y269-F399 HydrophobicContact CE1-CD2 3.95Å; Y269-F399 AromaticContact CE1-CE1 3.65Å; Y269-F399 HydrophobicContact CE1-CE1 3.65Å; Y269-F399 HydrophobicContact CE1-CE2 4.16Å; Y269-F399 AromaticContact CE1-CG 3.57Å; Y269-F399 HydrophobicContact CE1-CG 3.57Å; Y269-F399 HydrophobicContact CE1-CZ 4.03Å; Y269-F399 HydrophobicContact CE2-CB 3.61Å; Y269-F399 HydrophobicContact CE2-CD1 4.35Å; Y269-F399 AromaticContact CE2-CD2 3.83Å; Y269-F399 HydrophobicContact CE2-CD2 3.83Å; Y269-F399 AromaticContact CE2-CG 3.66Å; Y269-F399 HydrophobicContact CE2-CG 3.66Å; Y269-F399 AromaticContact CG-CD2 3.57Å; Y269-F399 HydrophobicContact CG-CD2 3.57Å; Y269-F399 AromaticContact CG-CE2 3.59Å; Y269-F399 HydrophobicContact CG-CE2 3.59Å; Y269-F399 HydrophobicContact CG-CG 4.06Å; Y269-F399 HydrophobicContact CG-CZ 4.08Å; Y269-F399 AromaticContact CZ-CD1 3.69Å; Y269-F399 AromaticContact CZ-CD2 3.99Å; Y269-F399 AromaticContact CZ-CG 3.46Å; Y269-F399 VanDerWaalsContact CZ-CG 3.46Å; E395-F399 PolarHBondContact O-N 3.45Å; F399-L401 VanDerWaalsContact C-N 3.3Å; F399-L401 PolarHBondContact O-N 3.34Å; F399-L402 PolarHBondContact O-N 3.45Å; F399-V403 HydrophobicContact CD1-CB 4.39Å; F399-V403 HydrophobicContact CD2-CB 4.42Å; F399-V403 HydrophobicContact CD2-CG2 4Å; F399-V403 HydrophobicContact CE1-CB 4.04Å; F399-V403 HydrophobicContact CE1-CG1 4.24Å; F399-V403 HydrophobicContact CE2-CB 4.07Å; F399-V403 HydrophobicContact CE2-CG1 4.39Å; F399-V403 HydrophobicContact CE2-CG2 3.71Å; F399-V403 HydrophobicContact CZ-CB 3.86Å; F399-V403 HydrophobicContact CZ-CG1 3.87Å; F399-V403 HydrophobicContact CZ-CG2 4.02Å; F399-V403 WeakPolarHBondContact O-CA 3.44Å; F399-V403 WeakPolarHBondContact O-CB 3.44Å; F399-V403 PolarHBondContact O-N 2.92Å; F399-W414 AromaticContact CE2-CH2 3.75Å; F399-W414 HydrophobicContact CE2-CH2 3.75Å; F399-W414 HydrophobicContact CE2-CZ2 4.47Å; F399-W414 AromaticContact CE2-CZ3 3.97Å; F399-W414 HydrophobicContact CE2-CZ3 3.97Å; F399-W414 HydrophobicContact CZ-CH2 4.15Å; F399-Y417 HydrophobicContact CB-CE2 4.24Å; F399-Y417 HydrophobicContact CD2-CE1 4.08Å; F399-Y417 HydrophobicContact CD2-CE2 4.06Å; F399-Y417 AromaticContact CD2-CZ 3.81Å
400S82Confident81.2Confident64 Ų6455.4 Ų55.445%0.44833%0.328SS..Hα-helixtrans-65.3-27.5-179.154.60000114.4P396 V397P396-S400 WeakPolarHBondContact O-CB 3.25Å; P396-S400 PolarHBondContact O-N 3.48Å; P396-S400 PolarHBondContact O-OG 2.81Å; V397-S400 PolarHBondContact O-OG 3.34Å; V397-S400 VanDerWaalsContact O-OG 3.05Å
401L84.9Confident80.8Confident123 Ų12358.2 Ų58.264%0.64434%0.34SS*.Hα-helixtrans-76.9-27.7176-72.5173.1000113.4V397 L398 F399V397-L401 HydrophobicContact CG1-CD1 4Å; V397-L401 WeakPolarHBondContact O-CB 3.43Å; V397-L401 VanDerWaalsContact O-CG 3.23Å; V397-L401 WeakPolarHBondContact O-CG 3.34Å; V397-L401 PolarHBondContact O-N 3.01Å; V397-L401 VanDerWaalsContact O-N 3.13Å; L398-L401 PolarHBondContact O-N 3.32Å; F399-L401 VanDerWaalsContact C-N 3.3Å; F399-L401 PolarHBondContact O-N 3.34Å
402L85.3Confident80.6Confident43 Ų4364.1 Ų64.123%0.22537%0.371CS..Hα-helixtrans-103.5-36.4-174-64.4174.5000113.1L398 F399 S413 Y417 I420L398-L402 HydrophobicContact CD1-CD1 3.58Å; L398-L402 HydrophobicContact CD1-CG 4.26Å; L398-L402 HydrophobicContact CG-CD1 3.88Å; L398-L402 WeakPolarHBondContact O-CG 3.34Å; L398-L402 PolarHBondContact O-N 3.39Å; F399-L402 PolarHBondContact O-N 3.45Å; L402-S413 VanDerWaalsContact O-CB 3.23Å; L402-S413 WeakPolarHBondContact O-CB 3.34Å; L402-S413 PolarHBondContact O-OG 2.87Å; L402-Y417 HydrophobicContact CD1-CD2 4.07Å; L402-I420 HydrophobicContact CD1-CD1 3.53Å; L402-I420 HydrophobicContact CD2-CD1 4.23Å
403V80.3Confident80.7Confident7 Ų764.2 Ų64.24%0.04237%0.372CS..SBendtrans-106.383.2175.7-169.50000106.7F399 E408F399-V403 HydrophobicContact CD1-CB 4.39Å; F399-V403 HydrophobicContact CD2-CB 4.42Å; F399-V403 HydrophobicContact CD2-CG2 4Å; F399-V403 HydrophobicContact CE1-CB 4.04Å; F399-V403 HydrophobicContact CE1-CG1 4.24Å; F399-V403 HydrophobicContact CE2-CB 4.07Å; F399-V403 HydrophobicContact CE2-CG1 4.39Å; F399-V403 HydrophobicContact CE2-CG2 3.71Å; F399-V403 HydrophobicContact CZ-CB 3.86Å; F399-V403 HydrophobicContact CZ-CG1 3.87Å; F399-V403 HydrophobicContact CZ-CG2 4.02Å; F399-V403 WeakPolarHBondContact O-CA 3.44Å; F399-V403 WeakPolarHBondContact O-CB 3.44Å; F399-V403 PolarHBondContact O-N 2.92Å; V403-E408 HydrophobicContact CG1-CG 4.17Å
404L72.3Confident80.8Confident100 Ų10062.3 Ų62.352%0.52436%0.361SS..  trans-70.1151.2179.6-67.8171.1000110.2G406 S407L404-G406 PolarHBondContact O-N 2.85Å; L404-G406 VanDerWaalsContact O-N 3.15Å; L404-S407 PolarHBondContact N-OG 2.95Å; L404-S407 PolarHBondContact O-N 3.43Å; L404-S407 PolarHBondContact O-OG 3.03Å; L404-S407 VanDerWaalsContact O-OG 3.05Å
405P62.2Low80.8Confident106 Ų10660.1 Ų60.169%0.68835%0.351SS*.THydrogen-bonded Turntrans-53.4122.5171.5-24.834.1000110.8
406G62.9Low81Confident81 Ų8162 Ų6284%0.83537%0.365SS*.THydrogen-bonded Turntrans90-5.8-175.300000115.6L404L404-G406 PolarHBondContact O-N 2.85Å; L404-G406 VanDerWaalsContact O-N 3.15Å
407S69.1Low81.4Confident26 Ų2661.3 Ų61.318%0.18236%0.36CS..  trans-104.916.9170.483.90000112.9L404 D409 S410 S413L404-S407 PolarHBondContact N-OG 2.95Å; L404-S407 PolarHBondContact O-N 3.43Å; L404-S407 PolarHBondContact O-OG 3.03Å; L404-S407 VanDerWaalsContact O-OG 3.05Å; S407-D409 PolarHBondContact O-N 3.27Å; S407-S410 WeakPolarHBondContact O-CB 3.36Å; S407-S410 PolarHBondContact O-N 3.03Å; S407-S413 PolarHBondContact OG-OG 3.03Å; S407-S413 VanDerWaalsContact OG-OG 3.09Å
408E69.3Low81.8Confident112 Ų11258.1 Ų58.152%0.52334%0.34SS..THydrogen-bonded Turntrans-64.6-29-178-63.6177.5-174.300112.6Y276 V403 S410 W414Y276-E408 WeakPolarHBondContact CD2-O 3.27Å; V403-E408 HydrophobicContact CG1-CG 4.17Å; E408-S410 VanDerWaalsContact C-N 3.32Å; E408-W414 PolarHBondContact O-NE1 3.18Å
409D72.5Confident82.1Confident111 Ų11159.8 Ų59.859%0.59435%0.349SS*.THydrogen-bonded Turntrans-85.5-0.4172.3-80.7-50.7000113.9Y276 R341 S407 E411Y276-D409 WeakPolarHBondContact CE2-O 3.43Å; R341-D409 IonicContact CZ-OD1 2.81Å; R341-D409 IonicContact NH1-OD1 2.88Å; R341-D409 IonicContact NH2-OD1 3.6Å; R341-D409 PolarHBondContact NH2-OD1 3.28Å; S407-D409 PolarHBondContact O-N 3.27Å; D409-E411 PolarHBondContact O-N 2.95Å
410S81.6Confident82.5Confident43 Ų4361.5 Ų61.530%0.30136%0.359SS..  trans-81.1117.9-178.3-174.50000111.4S407 E408 L412 S413 W414S407-S410 WeakPolarHBondContact O-CB 3.36Å; S407-S410 PolarHBondContact O-N 3.03Å; E408-S410 VanDerWaalsContact C-N 3.32Å; S410-L412 PolarHBondContact O-N 3.22Å; S410-S413 PolarHBondContact O-N 3.2Å; S410-W414 PolarHBondContact O-N 3.37Å
411E84.3Confident83.2Confident121 Ų12158.5 Ų58.557%0.56534%0.338SS*.Hα-helixtrans-58.1-34.7173.6-173.3178.4173.100112.1D409 S413 T415D409-E411 PolarHBondContact O-N 2.95Å; E411-S413 PolarHBondContact O-N 3.25Å; E411-T415 WeakPolarHBondContact O-CB 3.44Å; E411-T415 PolarHBondContact O-N 2.99Å; E411-T415 PolarHBondContact O-OG1 3.17Å
412L87.2Confident83.8Confident125 Ų12552.9 Ų52.965%0.65431%0.309SS*.Hα-helixtrans-66.1-37.1-179.5-175.665.7000112.3S410 S416S410-L412 PolarHBondContact O-N 3.22Å; L412-S416 WeakPolarHBondContact O-CB 3.44Å; L412-S416 PolarHBondContact O-N 3.01Å; L412-S416 PolarHBondContact O-OG 3.29Å
413S88.6Confident84.4Confident15 Ų1556.1 Ų56.111%0.10533%0.326CS..Hα-helixtrans-65.4-50.3178.9-72.30000111.1L402 S407 S410 E411 S416 Y417L402-S413 VanDerWaalsContact O-CB 3.23Å; L402-S413 WeakPolarHBondContact O-CB 3.34Å; L402-S413 PolarHBondContact O-OG 2.87Å; S407-S413 PolarHBondContact OG-OG 3.03Å; S407-S413 VanDerWaalsContact OG-OG 3.09Å; S410-S413 PolarHBondContact O-N 3.2Å; E411-S413 PolarHBondContact O-N 3.25Å; S413-S416 PolarHBondContact O-N 3.31Å; S413-Y417 VanDerWaalsContact O-CB 3.31Å; S413-Y417 WeakPolarHBondContact O-CB 3.45Å; S413-Y417 PolarHBondContact O-N 3.11Å
414W89.9Confident85.2Confident8 Ų857.7 Ų57.73%0.0334%0.335CS..Hα-helixtrans-64.6-40.4176.8-72107.1000112.5Q272 Y273 Y276 F399 E408 S410 Y417 F418Q272-W414 HydrophobicContact CB-CH2 4.28Å; Q272-W414 HydrophobicContact CB-CZ2 4.41Å; Y273-W414 AromaticContact CD2-CD2 3.66Å; Y273-W414 HydrophobicContact CD2-CD2 3.66Å; Y273-W414 AromaticContact CD2-CE2 3.99Å; Y273-W414 AromaticContact CD2-CE3 3.5Å; Y273-W414 HydrophobicContact CD2-CE3 3.5Å; Y273-W414 HydrophobicContact CD2-CG 4.29Å; Y273-W414 HydrophobicContact CD2-CH2 4.04Å; Y273-W414 HydrophobicContact CD2-CZ2 4.18Å; Y273-W414 AromaticContact CD2-CZ3 3.7Å; Y273-W414 HydrophobicContact CD2-CZ3 3.7Å; Y273-W414 HydrophobicContact CE2-CB 4.48Å; Y273-W414 HydrophobicContact CE2-CD2 4.08Å; Y273-W414 HydrophobicContact CE2-CE3 4.09Å; Y273-W414 HydrophobicContact CE2-CG 4.26Å; Y273-W414 HydrophobicContact CG-CE3 4.47Å; Y273-W414 HydrophobicContact CG-CH2 4.46Å; Y273-W414 HydrophobicContact CG-CZ3 4.27Å; Y276-W414 AromaticContact CD1-CD1 3.98Å; Y276-W414 HydrophobicContact CD1-CG 4.46Å; Y276-W414 AromaticContact CD2-CD1 3.88Å; Y276-W414 AromaticContact CD2-NE1 3.73Å; Y276-W414 HydrophobicContact CE1-CG 4.47Å; Y276-W414 AromaticContact CE2-CD1 3.94Å; Y276-W414 AromaticContact CG-CD1 3.89Å; Y276-W414 AromaticContact CG-NE1 3.59Å; F399-W414 AromaticContact CE2-CH2 3.75Å; F399-W414 HydrophobicContact CE2-CH2 3.75Å; F399-W414 HydrophobicContact CE2-CZ2 4.47Å; F399-W414 AromaticContact CE2-CZ3 3.97Å; F399-W414 HydrophobicContact CE2-CZ3 3.97Å; F399-W414 HydrophobicContact CZ-CH2 4.15Å; E408-W414 PolarHBondContact O-NE1 3.18Å; S410-W414 PolarHBondContact O-N 3.37Å; W414-Y417 HydrophobicContact CE3-CD1 4.08Å; W414-Y417 HydrophobicContact CZ3-CD1 4.23Å; W414-Y417 HydrophobicContact CZ3-CE1 4.24Å; W414-Y417 PolarHBondContact O-N 3.44Å; W414-F418 HydrophobicContact CB-CE2 4.28Å; W414-F418 HydrophobicContact CE3-CE1 4.11Å; W414-F418 HydrophobicContact CE3-CE2 4.3Å; W414-F418 AromaticContact CE3-CZ 3.68Å; W414-F418 HydrophobicContact CE3-CZ 3.68Å; W414-F418 HydrophobicContact CZ3-CE1 4.46Å; W414-F418 HydrophobicContact CZ3-CZ 4.22Å; W414-F418 VanDerWaalsContact O-CD2 3.3Å; W414-F418 WeakPolarHBondContact O-CD2 3.4Å; W414-F418 WeakPolarHBondContact O-CG 3.29Å; W414-F418 PolarHBondContact O-N 3.1Å
415T91.5Very high86.4Confident31 Ų3152.9 Ų52.919%0.1931%0.311CS..Hα-helixtrans-59.4-51.8176.3-66.40000111.3V337 E411 Y417 F418 L419V337-T415 HydrophobicContact CG1-CG2 3.6Å; E411-T415 WeakPolarHBondContact O-CB 3.44Å; E411-T415 PolarHBondContact O-N 2.99Å; E411-T415 PolarHBondContact O-OG1 3.17Å; T415-Y417 VanDerWaalsContact C-N 3.29Å; T415-Y417 PolarHBondContact O-N 3.27Å; T415-F418 PolarHBondContact O-N 3.28Å; T415-L419 HydrophobicContact CG2-CD1 3.82Å; T415-L419 HydrophobicContact CG2-CG 4.27Å; T415-L419 WeakPolarHBondContact O-CB 3.47Å; T415-L419 VanDerWaalsContact O-CG 3.23Å; T415-L419 WeakPolarHBondContact O-CG 3.25Å; T415-L419 PolarHBondContact O-N 2.98Å
416S91.5Very high88.1Confident42 Ų4250.1 Ų50.129%0.29429%0.291SS..Hα-helixtrans-59.9-42.1179.6-57.60000111.6L412 S413 L419 I420L412-S416 WeakPolarHBondContact O-CB 3.44Å; L412-S416 PolarHBondContact O-N 3.01Å; L412-S416 PolarHBondContact O-OG 3.29Å; S413-S416 PolarHBondContact O-N 3.31Å; S416-L419 PolarHBondContact O-N 3.45Å; S416-I420 WeakPolarHBondContact O-CG1 3.49Å; S416-I420 PolarHBondContact O-N 2.88Å; S416-I420 VanDerWaalsContact O-N 3.14Å
417Y92.6Very high89.7Confident0 Ų050 Ų500%027%0.274CS..Hα-helixtrans-63.3-43.2178.7177.2-115.1000113.1V265 Y269 E395 L398 F399 L402 S413 W414 T415 H421V265-Y417 HydrophobicContact CG1-CE1 3.61Å; V265-Y417 HydrophobicContact CG2-CE1 4.42Å; Y269-Y417 VanDerWaalsContact CD2-OH 3.32Å; Y269-Y417 WeakPolarHBondContact CD2-OH 3.41Å; E395-Y417 WeakPolarHBondContact OE1-CE2 3.44Å; E395-Y417 PolarHBondContact OE1-OH 3.27Å; L398-Y417 HydrophobicContact CD2-CD2 4.46Å; L398-Y417 HydrophobicContact CD2-CE2 4.41Å; L398-Y417 HydrophobicContact CG-CD2 4.37Å; L398-Y417 HydrophobicContact CG-CE2 4.43Å; F399-Y417 HydrophobicContact CB-CE2 4.24Å; F399-Y417 HydrophobicContact CD2-CE1 4.08Å; F399-Y417 HydrophobicContact CD2-CE2 4.06Å; F399-Y417 AromaticContact CD2-CZ 3.81Å; L402-Y417 HydrophobicContact CD1-CD2 4.07Å; S413-Y417 VanDerWaalsContact O-CB 3.31Å; S413-Y417 WeakPolarHBondContact O-CB 3.45Å; S413-Y417 PolarHBondContact O-N 3.11Å; W414-Y417 HydrophobicContact CE3-CD1 4.08Å; W414-Y417 HydrophobicContact CZ3-CD1 4.23Å; W414-Y417 HydrophobicContact CZ3-CE1 4.24Å; W414-Y417 PolarHBondContact O-N 3.44Å; T415-Y417 VanDerWaalsContact C-N 3.29Å; T415-Y417 PolarHBondContact O-N 3.27Å; Y417-H421 AromaticContact CD2-CE1 3.95Å; Y417-H421 AromaticContact CE2-CE1 3.43Å; Y417-H421 VanDerWaalsContact CE2-CE1 3.43Å; Y417-H421 WeakPolarHBondContact CE2-CE1 3.48Å; Y417-H421 AromaticContact CE2-ND1 3.97Å; Y417-H421 AromaticContact CZ-CE1 3.8Å; Y417-H421 PolarHBondContact O-N 3.04Å; Y417-H421 PolarHBondContact O-ND1 3.22Å
418F94.9Very high91.1Very high3 Ų348.9 Ų48.91%0.01327%0.267CS..Hα-helixtrans-72.5-35.5176.2-63.1-31.5000113.4V265 F266 Y273 L333 V336 V337 W414 T415 I420 H421 A422V265-F418 HydrophobicContact CG1-CD1 4.35Å; V265-F418 HydrophobicContact CG1-CE1 3.93Å; F266-F418 HydrophobicContact CE1-CE1 4.14Å; F266-F418 HydrophobicContact CE1-CZ 4.01Å; F266-F418 HydrophobicContact CE2-CE1 4.35Å; F266-F418 HydrophobicContact CZ-CD1 4.48Å; F266-F418 AromaticContact CZ-CE1 3.64Å; F266-F418 HydrophobicContact CZ-CE1 3.64Å; F266-F418 AromaticContact CZ-CZ 3.7Å; F266-F418 HydrophobicContact CZ-CZ 3.7Å; Y273-F418 HydrophobicContact CD2-CE2 4.13Å; Y273-F418 AromaticContact CD2-CZ 3.69Å; Y273-F418 HydrophobicContact CD2-CZ 3.69Å; Y273-F418 HydrophobicContact CE1-CZ 4.49Å; Y273-F418 AromaticContact CE2-CE2 3.47Å; Y273-F418 HydrophobicContact CE2-CE2 3.47Å; Y273-F418 VanDerWaalsContact CE2-CE2 3.47Å; Y273-F418 AromaticContact CE2-CZ 3.51Å; Y273-F418 HydrophobicContact CE2-CZ 3.51Å; Y273-F418 HydrophobicContact CG-CZ 4.25Å; Y273-F418 AromaticContact CZ-CE2 3.76Å; Y273-F418 AromaticContact CZ-CZ 3.95Å; L333-F418 HydrophobicContact CD2-CB 4.46Å; L333-F418 HydrophobicContact CD2-CD1 4.08Å; L333-F418 HydrophobicContact CD2-CG 4.35Å; V336-F418 HydrophobicContact CG1-CD2 3.84Å; V336-F418 HydrophobicContact CG1-CE2 3.61Å; V336-F418 HydrophobicContact CG1-CZ 4.41Å; V337-F418 HydrophobicContact CG2-CB 3.67Å; V337-F418 HydrophobicContact CG2-CD2 4.08Å; V337-F418 HydrophobicContact CG2-CG 4.41Å; W414-F418 HydrophobicContact CB-CE2 4.28Å; W414-F418 HydrophobicContact CE3-CE1 4.11Å; W414-F418 HydrophobicContact CE3-CE2 4.3Å; W414-F418 AromaticContact CE3-CZ 3.68Å; W414-F418 HydrophobicContact CE3-CZ 3.68Å; W414-F418 HydrophobicContact CZ3-CE1 4.46Å; W414-F418 HydrophobicContact CZ3-CZ 4.22Å; W414-F418 VanDerWaalsContact O-CD2 3.3Å; W414-F418 WeakPolarHBondContact O-CD2 3.4Å; W414-F418 WeakPolarHBondContact O-CG 3.29Å; W414-F418 PolarHBondContact O-N 3.1Å; T415-F418 PolarHBondContact O-N 3.28Å; F418-I420 PolarHBondContact O-N 3.16Å; F418-H421 PolarHBondContact O-N 3.12Å; F418-A422 WeakPolarHBondContact O-CB 3.41Å; F418-A422 PolarHBondContact O-N 3.19Å
419L94.9Very high92.4Very high69 Ų6944 Ų4436%0.36125%0.245SC..Hα-helixtrans-62.7-40.9176.9-72.9177.4000112.2M334 T415 S416 H421 A422 L423M334-L419 HydrophobicContact CE-CD2 3.75Å; M334-L419 HydrophobicContact SD-CD2 3.39Å; M334-L419 WeakPolarHBondContact SD-CD2 3.45Å; T415-L419 HydrophobicContact CG2-CD1 3.82Å; T415-L419 HydrophobicContact CG2-CG 4.27Å; T415-L419 WeakPolarHBondContact O-CB 3.47Å; T415-L419 VanDerWaalsContact O-CG 3.23Å; T415-L419 WeakPolarHBondContact O-CG 3.25Å; T415-L419 PolarHBondContact O-N 2.98Å; S416-L419 PolarHBondContact O-N 3.45Å; L419-H421 VanDerWaalsContact C-N 3.32Å; L419-H421 PolarHBondContact O-N 2.77Å; L419-A422 PolarHBondContact O-N 3.06Å; L419-L423 WeakPolarHBondContact O-CB 3.27Å; L419-L423 PolarHBondContact O-N 3.3Å
420I95.6Very high93.6Very high62 Ų6242.1 Ų42.132%0.31824%0.237SC..Hα-helixtrans-62.7-40.8177-72.5164000111.1L398 L402 S416 F418 T424L398-I420 HydrophobicContact CD1-CD1 4.38Å; L398-I420 HydrophobicContact CD1-CG2 4.46Å; L398-I420 HydrophobicContact CD2-CG2 3.93Å; L402-I420 HydrophobicContact CD1-CD1 3.53Å; L402-I420 HydrophobicContact CD2-CD1 4.23Å; S416-I420 WeakPolarHBondContact O-CG1 3.49Å; S416-I420 PolarHBondContact O-N 2.88Å; S416-I420 VanDerWaalsContact O-N 3.14Å; F418-I420 PolarHBondContact O-N 3.16Å; I420-T424 WeakPolarHBondContact O-CB 3.1Å; I420-T424 PolarHBondContact O-N 3.31Å; I420-T424 PolarHBondContact O-OG1 2.67Å
421H96.3Very high94.3Very high0 Ų042.3 Ų42.30%024%0.236CC..Hα-helixtrans-67.2-44.1175.7-77.393.9000112.6F261 V265 L333 E395 Y417 F418 L419 L423 T424 L425F261-H421 AromaticContact CD1-CD2 3.75Å; F261-H421 AromaticContact CD1-NE2 3.6Å; F261-H421 AromaticContact CE1-CD2 3.88Å; F261-H421 AromaticContact CE1-NE2 3.41Å; F261-H421 WeakPolarHBondContact CE1-NE2 3.23Å; F261-H421 AromaticContact CZ-NE2 3.93Å; V265-H421 VanDerWaalsContact CG2-CD2 3.46Å; V265-H421 WeakPolarHBondContact CG2-CD2 3.22Å; V265-H421 VanDerWaalsContact CG2-CE1 3.45Å; V265-H421 WeakPolarHBondContact CG2-CE1 3.46Å; V265-H421 VanDerWaalsContact CG2-NE2 3.3Å; V265-H421 WeakPolarHBondContact CG2-NE2 3.16Å; L333-H421 HydrophobicContact CD1-CB 3.68Å; E395-H421 IonicContact OE1-CE1 3.21Å; E395-H421 IonicContact OE1-NE2 2.75Å; E395-H421 IonicContact OE2-CE1 3.87Å; E395-H421 IonicContact OE2-NE2 2.68Å; E395-H421 PolarHBondContact OE2-NE2 3.07Å; Y417-H421 AromaticContact CD2-CE1 3.95Å; Y417-H421 AromaticContact CE2-CE1 3.43Å; Y417-H421 VanDerWaalsContact CE2-CE1 3.43Å; Y417-H421 WeakPolarHBondContact CE2-CE1 3.48Å; Y417-H421 AromaticContact CE2-ND1 3.97Å; Y417-H421 AromaticContact CZ-CE1 3.8Å; Y417-H421 PolarHBondContact O-N 3.04Å; Y417-H421 PolarHBondContact O-ND1 3.22Å; F418-H421 PolarHBondContact O-N 3.12Å; L419-H421 VanDerWaalsContact C-N 3.32Å; L419-H421 PolarHBondContact O-N 2.77Å; H421-L423 VanDerWaalsContact C-N 3.31Å; H421-L423 PolarHBondContact O-N 3.05Å; H421-T424 PolarHBondContact O-N 3.34Å; H421-L425 WeakPolarHBondContact O-CB 3.48Å; H421-L425 WeakPolarHBondContact O-CG 3.3Å; H421-L425 PolarHBondContact O-N 3.42Å
422A97.2Very high94.9Very high5 Ų536.6 Ų36.64%0.04121%0.209CC..Hα-helixtrans-61.3-39.8176.400000112.2A330 L333 M334 F418 L419 T426A330-A422 HydrophobicContact CB-CB 4.34Å; L333-A422 HydrophobicContact CB-CB 4.23Å; L333-A422 HydrophobicContact CD1-CB 4.46Å; M334-A422 HydrophobicContact CG-CB 4.16Å; M334-A422 HydrophobicContact SD-CB 4.05Å; F418-A422 WeakPolarHBondContact O-CB 3.41Å; F418-A422 PolarHBondContact O-N 3.19Å; L419-A422 PolarHBondContact O-N 3.06Å; A422-T426 WeakPolarHBondContact O-CB 3.41Å; A422-T426 PolarHBondContact O-N 3.26Å; A422-T426 PolarHBondContact O-OG1 3.14Å
423L97.1Very high95.2Very high112 Ų11232.7 Ų32.759%0.58619%0.191SC*.Hα-helixtrans-64.4-47.9173.8-179.163.2000111.3L419 H421 L425 T426 V427L419-L423 WeakPolarHBondContact O-CB 3.27Å; L419-L423 PolarHBondContact O-N 3.3Å; H421-L423 VanDerWaalsContact C-N 3.31Å; H421-L423 PolarHBondContact O-N 3.05Å; L423-L425 VanDerWaalsContact C-N 3.32Å; L423-L425 PolarHBondContact O-N 3.44Å; L423-T426 PolarHBondContact O-N 2.96Å; L423-V427 HydrophobicContact CD1-CG2 4Å; L423-V427 HydrophobicContact CG-CG2 4.32Å; L423-V427 WeakPolarHBondContact O-CG2 3.27Å; L423-V427 PolarHBondContact O-N 3.16Å
424T97.2Very high95.5Very high39 Ų3938 Ų3824%0.23922%0.217CC..Hα-helixtrans-57.7-45.4179.8-600000111.5A258 F261 I420 H421 A428A258-T424 HydrophobicContact CB-CG2 3.98Å; F261-T424 HydrophobicContact CD1-CG2 4.33Å; I420-T424 WeakPolarHBondContact O-CB 3.1Å; I420-T424 PolarHBondContact O-N 3.31Å; I420-T424 PolarHBondContact O-OG1 2.67Å; H421-T424 PolarHBondContact O-N 3.34Å; T424-A428 VanDerWaalsContact O-CB 3.27Å; T424-A428 WeakPolarHBondContact O-CB 3.32Å; T424-A428 PolarHBondContact O-N 3.49Å
425L97.8Very high95.7Very high0 Ų040.6 Ų40.60%023%0.232CC..Hα-helixtrans-62.6-44.2176.1-74.6170.8000112.6A258 A262 L326 P329 A330 L333 F358 H421 L423 N429A258-L425 HydrophobicContact CB-CD2 4.41Å; A262-L425 HydrophobicContact CB-CD1 3.76Å; A262-L425 HydrophobicContact CB-CD2 3.75Å; A262-L425 HydrophobicContact CB-CG 3.81Å; L326-L425 HydrophobicContact CB-CD2 4.41Å; L326-L425 HydrophobicContact CD2-CD2 3.76Å; P329-L425 HydrophobicContact CB-CD1 3.96Å; A330-L425 HydrophobicContact CB-CB 3.9Å; A330-L425 HydrophobicContact CB-CD1 4.09Å; L333-L425 HydrophobicContact CD1-CD1 4.13Å; F358-L425 HydrophobicContact CE1-CD2 4.14Å; H421-L425 WeakPolarHBondContact O-CB 3.48Å; H421-L425 WeakPolarHBondContact O-CG 3.3Å; H421-L425 PolarHBondContact O-N 3.42Å; L423-L425 VanDerWaalsContact C-N 3.32Å; L423-L425 PolarHBondContact O-N 3.44Å; L425-N429 VanDerWaalsContact O-CB 3.31Å; L425-N429 WeakPolarHBondContact O-CB 3.13Å; L425-N429 PolarHBondContact O-N 3.07Å
426T97.7Very high95.7Very high47 Ų4739.3 Ų39.329%0.28822%0.224SC..Hα-helixtrans-66.4-46.7-178.9-60.30000110.8Q327 A422 L423 N429 T430Q327-T426 PolarHBondContact NE2-OG1 2.89Å; A422-T426 WeakPolarHBondContact O-CB 3.41Å; A422-T426 PolarHBondContact O-N 3.26Å; A422-T426 PolarHBondContact O-OG1 3.14Å; L423-T426 PolarHBondContact O-N 2.96Å; T426-N429 PolarHBondContact O-N 3.49Å; T426-T430 PolarHBondContact O-N 3.38Å; T426-T430 PolarHBondContact O-OG1 2.89Å
427V97.8Very high95.6Very high78 Ų7843.1 Ų43.147%0.47323%0.232SC..Hα-helixtrans-61.2-47.5177.41720000110.9L423 N429 T430 V431L423-V427 HydrophobicContact CD1-CG2 4Å; L423-V427 HydrophobicContact CG-CG2 4.32Å; L423-V427 WeakPolarHBondContact O-CG2 3.27Å; L423-V427 PolarHBondContact O-N 3.16Å; V427-N429 VanDerWaalsContact C-N 3.3Å; V427-N429 PolarHBondContact O-N 3.47Å; V427-T430 PolarHBondContact O-N 3.24Å; V427-V431 WeakPolarHBondContact O-CG2 3.11Å; V427-V431 PolarHBondContact O-N 2.98Å
428A97.5Very high95.3Very high3 Ų344.6 Ų44.63%0.02524%0.242CC..Hα-helixtrans-62-38.5178.200000112.2V254 A258 L326 T424 V431 Y432V254-A428 HydrophobicContact CG1-CB 3.99Å; A258-A428 HydrophobicContact CB-CB 3.32Å; L326-A428 HydrophobicContact CD1-CB 4.3Å; T424-A428 VanDerWaalsContact O-CB 3.27Å; T424-A428 WeakPolarHBondContact O-CB 3.32Å; T424-A428 PolarHBondContact O-N 3.49Å; A428-V431 PolarHBondContact O-N 3.38Å; A428-Y432 WeakPolarHBondContact O-CB 3.3Å; A428-Y432 PolarHBondContact O-N 2.91Å
429N97.6Very high95Very high11 Ų1151.5 Ų51.56%0.05927%0.274CS..Hα-helixtrans-63.6-45.2174-17447.9000112.2N322 T323 L326 L425 T426 V427 V431 Y432 V433N322-N429 PolarHBondContact ND2-OD1 3.44Å; T323-N429 VanDerWaalsContact CA-OD1 3.31Å; T323-N429 WeakPolarHBondContact CA-OD1 3.47Å; T323-N429 PolarHBondContact OG1-OD1 2.95Å; L326-N429 HydrophobicContact CB-CB 3.87Å; L326-N429 HydrophobicContact CD1-CB 3.97Å; L425-N429 VanDerWaalsContact O-CB 3.31Å; L425-N429 WeakPolarHBondContact O-CB 3.13Å; L425-N429 PolarHBondContact O-N 3.07Å; T426-N429 PolarHBondContact O-N 3.49Å; V427-N429 VanDerWaalsContact C-N 3.3Å; V427-N429 PolarHBondContact O-N 3.47Å; N429-V431 VanDerWaalsContact C-N 3.34Å; N429-V431 PolarHBondContact O-N 3.21Å; N429-Y432 PolarHBondContact O-N 2.78Å; N429-V433 WeakPolarHBondContact O-CG2 3.01Å; N429-V433 PolarHBondContact O-N 3.36Å
430T96.6Very high94.6Very high71 Ų7149.4 Ų49.444%0.43627%0.265SS..Hα-helixtrans-58.3-47.5176.2-55.40000111.1T426 V427 Y432 V433 L434T426-T430 PolarHBondContact O-N 3.38Å; T426-T430 PolarHBondContact O-OG1 2.89Å; V427-T430 PolarHBondContact O-N 3.24Å; T430-Y432 VanDerWaalsContact C-N 3.34Å; T430-Y432 PolarHBondContact O-N 2.98Å; T430-V433 PolarHBondContact O-N 2.84Å; T430-L434 HydrophobicContact CG2-CD1 3.98Å; T430-L434 HydrophobicContact CG2-CG 4.49Å; T430-L434 VanDerWaalsContact O-CG 3.24Å; T430-L434 WeakPolarHBondContact O-CG 3.39Å; T430-L434 PolarHBondContact O-N 3.4Å
431V96.7Very high94.2Very high46 Ų4646.7 Ų46.728%0.27925%0.251SS..Hα-helixtrans-58.1-46.6176.6172.90000110.9V427 A428 N429 L434 L435V427-V431 WeakPolarHBondContact O-CG2 3.11Å; V427-V431 PolarHBondContact O-N 2.98Å; A428-V431 PolarHBondContact O-N 3.38Å; N429-V431 VanDerWaalsContact C-N 3.34Å; N429-V431 PolarHBondContact O-N 3.21Å; V431-L434 PolarHBondContact O-N 3.09Å; V431-L435 HydrophobicContact CG1-CD1 3.91Å; V431-L435 WeakPolarHBondContact O-CB 3.19Å; V431-L435 WeakPolarHBondContact O-CG 3.43Å; V431-L435 PolarHBondContact O-N 3.26Å
432Y96.1Very high93.6Very high1 Ų151.4 Ų51.40%0.00428%0.277CS..Hα-helixtrans-63.3-47.3178.9-170.9-90.6000112.4A251 V252 A255 N322 G364 F365 A428 N429 T430 L434 L435 A436A251-Y432 HydrophobicContact CB-CD2 4.34Å; V252-Y432 HydrophobicContact CG2-CE2 3.94Å; A255-Y432 HydrophobicContact CB-CD2 3.82Å; A255-Y432 HydrophobicContact CB-CG 4.31Å; N322-Y432 HydrophobicContact CB-CD1 3.47Å; N322-Y432 VanDerWaalsContact CB-CD1 3.47Å; N322-Y432 HydrophobicContact CB-CE1 3.39Å; N322-Y432 HydrophobicContact CB-CG 4.31Å; N322-Y432 WeakPolarHBondContact ND2-CB 3.33Å; N322-Y432 WeakPolarHBondContact ND2-CD1 3.24Å; G364-Y432 PolarHBondContact O-OH 3.07Å; F365-Y432 WeakPolarHBondContact CA-OH 3.42Å; F365-Y432 HydrophobicContact CB-CD2 4.21Å; F365-Y432 HydrophobicContact CB-CE2 3.6Å; A428-Y432 WeakPolarHBondContact O-CB 3.3Å; A428-Y432 PolarHBondContact O-N 2.91Å; N429-Y432 PolarHBondContact O-N 2.78Å; T430-Y432 VanDerWaalsContact C-N 3.34Å; T430-Y432 PolarHBondContact O-N 2.98Å; Y432-L434 VanDerWaalsContact C-N 3.28Å; Y432-L434 PolarHBondContact O-N 3.01Å; Y432-L435 PolarHBondContact O-N 2.82Å; Y432-A436 HydrophobicContact CD1-CB 3.95Å; Y432-A436 HydrophobicContact CE1-CB 3.7Å; Y432-A436 HydrophobicContact CE2-CB 4.47Å; Y432-A436 HydrophobicContact CG-CB 4.47Å; Y432-A436 WeakPolarHBondContact O-CA 3.47Å; Y432-A436 WeakPolarHBondContact O-CB 3.39Å; Y432-A436 PolarHBondContact O-N 2.92Å
433V94.9Very high92.9Very high44 Ų4451.3 Ų51.327%0.26728%0.276SS..Hα-helixtrans-60-40.8-180170.60000111.1R319 N429 T430R319-V433 PolarHBondContact NE-O 3.25Å; R319-V433 PolarHBondContact NH2-O 3.38Å; N429-V433 WeakPolarHBondContact O-CG2 3.01Å; N429-V433 PolarHBondContact O-N 3.36Å; T430-V433 PolarHBondContact O-N 2.84Å
434L94.8Very high92.2Very high125 Ų12546 Ų4665%0.65425%0.248SC*.Hα-helixtrans-67.7-43.8178.9-67.7173.6000112.5T430 V431 Y432T430-L434 HydrophobicContact CG2-CD1 3.98Å; T430-L434 HydrophobicContact CG2-CG 4.49Å; T430-L434 VanDerWaalsContact O-CG 3.24Å; T430-L434 WeakPolarHBondContact O-CG 3.39Å; T430-L434 PolarHBondContact O-N 3.4Å; V431-L434 PolarHBondContact O-N 3.09Å; Y432-L434 VanDerWaalsContact C-N 3.28Å; Y432-L434 PolarHBondContact O-N 3.01Å
435L93.6Very high91.4Very high64 Ų6447.4 Ų47.434%0.33525%0.253SS..Hα-helixtrans-100.4-10.7-168.9-61.3-179.8000115.1K247 S248 A251 V431 Y432 R437K247-L435 HydrophobicContact CB-CD1 4.45Å; K247-L435 HydrophobicContact CB-CD2 4.43Å; S248-L435 PolarHBondContact OG-O 3.42Å; A251-L435 HydrophobicContact CB-CB 3.65Å; A251-L435 HydrophobicContact CB-CD1 4.26Å; V431-L435 HydrophobicContact CG1-CD1 3.91Å; V431-L435 WeakPolarHBondContact O-CB 3.19Å; V431-L435 WeakPolarHBondContact O-CG 3.43Å; V431-L435 PolarHBondContact O-N 3.26Å; Y432-L435 PolarHBondContact O-N 2.82Å; L435-R437 PolarHBondContact O-N 3.17Å
436A90.9Very high90.6Very high3 Ų351.1 Ų51.13%0.02527%0.273CS..  trans-62.1136.5-177.100000112.7K315 R319 Y432K315-A436 VanDerWaalsContact CE-O 3.23Å; K315-A436 WeakPolarHBondContact CE-O 3.45Å; R319-A436 HydrophobicContact CG-CB 4.32Å; Y432-A436 HydrophobicContact CD1-CB 3.95Å; Y432-A436 HydrophobicContact CE1-CB 3.7Å; Y432-A436 HydrophobicContact CE2-CB 4.47Å; Y432-A436 HydrophobicContact CG-CB 4.47Å; Y432-A436 WeakPolarHBondContact O-CA 3.47Å; Y432-A436 WeakPolarHBondContact O-CB 3.39Å; Y432-A436 PolarHBondContact O-N 2.92Å
437R89.6Confident89.6Confident123 Ų12349.4 Ų49.446%0.46426%0.264SS..  trans-127.4150.8173.6-67.2178.9-176.3-172-2.7109.1S248 I372 L435S248-R437 VanDerWaalsContact OG-CD 3.24Å; S248-R437 WeakPolarHBondContact OG-CD 3.46Å; S248-R437 VanDerWaalsContact OG-CG 3.29Å; S248-R437 WeakPolarHBondContact OG-CG 3.26Å; I372-R437 HydrophobicContact CD1-CB 4.45Å; I372-R437 WeakPolarHBondContact CD1-O 3.28Å; I372-R437 HydrophobicContact CG1-CB 4.45Å; I372-R437 WeakPolarHBondContact CG1-O 3.29Å; L435-R437 PolarHBondContact O-N 3.17Å
438S87.1Confident88.5Confident31 Ų3149.1 Ų49.122%0.21726%0.257CS..  trans-108.8-12.5173.855.90000113K315K315-S438 PolarHBondContact N-OG 3.28Å
439E88.3Confident87.2Confident147 Ų14754 Ų5469%0.68728%0.282SS*.SBendtrans-85.2155.3178-71.2168.5-159.800110.2
440P86.5Confident85.9Confident26 Ų2658.6 Ų58.617%0.16930%0.304CS..PPolyproline II helixtrans-60.8141.3176.7-16.131.1000110.2R374 V444 L445R374-P440 VanDerWaalsContact NE-CG 3.31Å; P440-V444 HydrophobicContact CB-CB 4.11Å; P440-V444 HydrophobicContact CB-CG1 4.19Å; P440-L445 HydrophobicContact CB-CD2 4.34Å; P440-L445 HydrophobicContact CB-CG 4.46Å
441A87.1Confident84.4Confident4 Ų459.6 Ų59.63%0.03331%0.306CS..PPolyproline II helixtrans-69.9160.617400000112I372 F443 V444 L445I372-A441 HydrophobicContact CG2-CB 3.6Å; I372-A441 PolarHBondContact O-N 3.36Å; A441-F443 HydrophobicContact CB-CD1 3.5Å; A441-F443 VanDerWaalsContact CB-CD1 3.5Å; A441-F443 HydrophobicContact CB-CE1 3.17Å; A441-F443 HydrophobicContact CB-CG 4.32Å; A441-F443 HydrophobicContact CB-CZ 3.76Å; A441-F443 PolarHBondContact O-N 3.17Å; A441-V444 WeakPolarHBondContact O-CA 3.36Å; A441-V444 VanDerWaalsContact O-CB 3.3Å; A441-V444 WeakPolarHBondContact O-CB 3.34Å; A441-V444 PolarHBondContact O-N 3.39Å; A441-L445 PolarHBondContact O-N 3.36Å
442D84.4Confident82.8Confident99 Ų9961.6 Ų61.653%0.52932%0.322SS..Hα-helixtrans-57.3-36.6-176.2-60-34.3000112.2V444 L445 N446D442-V444 PolarHBondContact O-N 2.9Å; D442-L445 PolarHBondContact O-N 3.24Å; D442-L445 VanDerWaalsContact O-N 3.16Å; D442-N446 WeakPolarHBondContact O-CB 3.18Å; D442-N446 PolarHBondContact O-N 2.77Å; D442-N446 PolarHBondContact O-ND2 3.18Å
443F82.6Confident81.3Confident4 Ų468.3 Ų68.32%0.01835%0.351CS..Hα-helixtrans-63.6-26.117765.7-101.4000113.5P239 E242 V243 D246 V249 F376 A441 A447P239-F443 HydrophobicContact CG-CB 4.2Å; P239-F443 HydrophobicContact CG-CD2 4.21Å; E242-F443 HydrophobicContact CB-CB 3.74Å; E242-F443 VanDerWaalsContact OE2-CA 3.29Å; E242-F443 WeakPolarHBondContact OE2-CA 3.43Å; E242-F443 WeakPolarHBondContact OE2-CB 3.43Å; V243-F443 HydrophobicContact CG2-CD1 4.17Å; V243-F443 HydrophobicContact CG2-CD2 3.99Å; V243-F443 HydrophobicContact CG2-CE1 4.03Å; V243-F443 HydrophobicContact CG2-CE2 3.87Å; V243-F443 HydrophobicContact CG2-CG 4.17Å; V243-F443 HydrophobicContact CG2-CZ 3.9Å; D246-F443 HydrophobicContact CB-CE1 4.38Å; V249-F443 HydrophobicContact CG2-CE1 4.29Å; F376-F443 HydrophobicContact CB-CE2 4.13Å; F376-F443 AromaticContact CD2-CD2 3.7Å; F376-F443 HydrophobicContact CD2-CD2 3.7Å; F376-F443 AromaticContact CD2-CE2 3.73Å; F376-F443 HydrophobicContact CD2-CE2 3.73Å; F376-F443 HydrophobicContact CE2-CD2 4.09Å; F376-F443 HydrophobicContact CG-CD2 4.48Å; F376-F443 HydrophobicContact CG-CE2 4.26Å; A441-F443 HydrophobicContact CB-CD1 3.5Å; A441-F443 VanDerWaalsContact CB-CD1 3.5Å; A441-F443 HydrophobicContact CB-CE1 3.17Å; A441-F443 HydrophobicContact CB-CG 4.32Å; A441-F443 HydrophobicContact CB-CZ 3.76Å; A441-F443 PolarHBondContact O-N 3.17Å; F443-A447 WeakPolarHBondContact O-CB 3.47Å; F443-A447 PolarHBondContact O-N 2.92Å
444V81.6Confident79.3Confident0 Ų071.8 Ų71.80%037%0.374CS..Hα-helixtrans-75.3-48.1173.8-176.50000109.8I372 R374 F376 P440 A441 D442 N446 A447 E448I372-V444 VanDerWaalsContact O-CG2 3.28Å; I372-V444 WeakPolarHBondContact O-CG2 3.37Å; R374-V444 HydrophobicContact CB-CG1 4.04Å; R374-V444 HydrophobicContact CG-CG1 4.2Å; F376-V444 HydrophobicContact CD2-CG2 4.21Å; P440-V444 HydrophobicContact CB-CB 4.11Å; P440-V444 HydrophobicContact CB-CG1 4.19Å; A441-V444 WeakPolarHBondContact O-CA 3.36Å; A441-V444 VanDerWaalsContact O-CB 3.3Å; A441-V444 WeakPolarHBondContact O-CB 3.34Å; A441-V444 PolarHBondContact O-N 3.39Å; D442-V444 PolarHBondContact O-N 2.9Å; V444-N446 VanDerWaalsContact C-N 3.35Å; V444-N446 PolarHBondContact O-N 2.8Å; V444-A447 PolarHBondContact O-N 3.39Å; V444-E448 WeakPolarHBondContact O-CG 3.48Å; V444-E448 PolarHBondContact O-N 3.4Å
445L81.2Confident77.2Confident68 Ų6874.6 Ų74.636%0.35638%0.384SS..Hα-helixtrans-62.7-42.6-179.5-62.7174.5000111.3P440 A441 D442 A447 E448 L449P440-L445 HydrophobicContact CB-CD2 4.34Å; P440-L445 HydrophobicContact CB-CG 4.46Å; A441-L445 PolarHBondContact O-N 3.36Å; D442-L445 PolarHBondContact O-N 3.24Å; D442-L445 VanDerWaalsContact O-N 3.16Å; L445-A447 VanDerWaalsContact C-N 3.33Å; L445-A447 PolarHBondContact O-N 3.32Å; L445-E448 PolarHBondContact O-N 3.46Å; L445-L449 WeakPolarHBondContact O-CB 3.39Å; L445-L449 VanDerWaalsContact O-CG 3.3Å; L445-L449 WeakPolarHBondContact O-CG 3.33Å; L445-L449 PolarHBondContact O-N 3.44Å
446N80.3Confident74.9Confident78 Ų7879 Ų7942%0.41741%0.407SS..Hα-helixtrans-60.2-43.8175.3-69-21.9000111.3D442 V444 L449 E450D442-N446 WeakPolarHBondContact O-CB 3.18Å; D442-N446 PolarHBondContact O-N 2.77Å; D442-N446 PolarHBondContact O-ND2 3.18Å; V444-N446 VanDerWaalsContact C-N 3.35Å; V444-N446 PolarHBondContact O-N 2.8Å; N446-L449 PolarHBondContact O-N 3.08Å; N446-E450 WeakPolarHBondContact O-CG 3.49Å; N446-E450 PolarHBondContact O-N 2.71Å
447A75.7Confident72.5Confident11 Ų1184.2 Ų84.29%0.09144%0.441CS..Hα-helixtrans-65.1-40.417700000112.5F376 F443 V444 L445 E450 L451F376-A447 HydrophobicContact CE2-CB 3.92Å; F376-A447 HydrophobicContact CZ-CB 3.99Å; F443-A447 WeakPolarHBondContact O-CB 3.47Å; F443-A447 PolarHBondContact O-N 2.92Å; V444-A447 PolarHBondContact O-N 3.39Å; L445-A447 VanDerWaalsContact C-N 3.33Å; L445-A447 PolarHBondContact O-N 3.32Å; A447-E450 PolarHBondContact O-N 2.85Å; A447-L451 WeakPolarHBondContact O-CD1 3.35Å; A447-L451 PolarHBondContact O-N 3.01Å
448E74.8Confident70.4Confident72 Ų7284.1 Ų84.134%0.33646%0.457SS..Hα-helixtrans-64.3-41.4174.8-73.4177.4-173.100111.6R374 V444 L445 E450 L451 S452R374-E448 IonicContact CZ-OE1 3.25Å; R374-E448 IonicContact NH1-OE1 3.65Å; R374-E448 PolarHBondContact NH1-OE1 3.04Å; R374-E448 IonicContact NH1-OE2 3.86Å; R374-E448 PolarHBondContact NH1-OE2 3.37Å; V444-E448 WeakPolarHBondContact O-CG 3.48Å; V444-E448 PolarHBondContact O-N 3.4Å; L445-E448 PolarHBondContact O-N 3.46Å; E448-E450 PolarHBondContact O-N 3.32Å; E448-L451 WeakPolarHBondContact O-CB 3.47Å; E448-L451 PolarHBondContact O-N 3.44Å; E448-L451 VanDerWaalsContact O-N 3.14Å; E448-S452 PolarHBondContact O-N 3.17Å; E448-S452 VanDerWaalsContact O-N 3.16Å
449L71.8Confident68.2Low105 Ų10591.7 Ų91.755%0.5549%0.489SS..Hα-helixtrans-64.5-36.6176.1-76.1168.3000112.8L445 N446 L451 S452 K453L445-L449 WeakPolarHBondContact O-CB 3.39Å; L445-L449 VanDerWaalsContact O-CG 3.3Å; L445-L449 WeakPolarHBondContact O-CG 3.33Å; L445-L449 PolarHBondContact O-N 3.44Å; N446-L449 PolarHBondContact O-N 3.08Å; L449-L451 VanDerWaalsContact C-N 3.3Å; L449-S452 PolarHBondContact O-OG 3.1Å; L449-K453 PolarHBondContact O-N 2.97Å
450E70.1Confident66Low109 Ų10990.5 Ų90.551%0.50949%0.492SS..Hα-helixtrans-71-26.9173.6-70.5-176169.200113.1K236 N446 A447 E448K236-E450 IonicContact NZ-OE2 3.96Å; K236-E450 PolarHBondContact NZ-OE2 3.01Å; N446-E450 WeakPolarHBondContact O-CG 3.49Å; N446-E450 PolarHBondContact O-N 2.71Å; A447-E450 PolarHBondContact O-N 2.85Å; E448-E450 PolarHBondContact O-N 3.32Å
451L64.8Low63.7Low92 Ų9294.5 Ų94.548%0.48252%0.521SS..Hα-helixtrans-73.7-28.4176.3-89.8151.3000112.3A447 E448 L449A447-L451 WeakPolarHBondContact O-CD1 3.35Å; A447-L451 PolarHBondContact O-N 3.01Å; E448-L451 WeakPolarHBondContact O-CB 3.47Å; E448-L451 PolarHBondContact O-N 3.44Å; E448-L451 VanDerWaalsContact O-N 3.14Å; L449-L451 VanDerWaalsContact C-N 3.3Å
452S62.5Low61.7Low88 Ų88101.4 Ų101.462%0.61556%0.556SS**Hα-helixtrans-85.1-9.9178.463.90000113.8E448 L449E448-S452 PolarHBondContact O-N 3.17Å; E448-S452 VanDerWaalsContact O-N 3.16Å; L449-S452 PolarHBondContact O-OG 3.1Å
453K65Low59.5Low142 Ų142107.7 Ų107.762%0.61759%0.589SS**SBendtrans-65127.7172.8-73.6179.3-176.8177.10109.3L449 Q455L449-K453 PolarHBondContact O-N 2.97Å; K453-Q455 PolarHBondContact O-N 3.27Å
454P52.2Low58.3Low116 Ų116112.9 Ų112.975%0.75362%0.618SS**  trans-57.9129.4174.122.1-29.7000108.7L456P454-L456 PolarHBondContact O-N 2.93Å
455Q51.6Low57.1Low185 Ų185118.8 Ų118.886%0.86465%0.651SS**  trans-60.8104.4168.9-71.3-175.3-14.600106.6K453K453-Q455 PolarHBondContact O-N 3.27Å
456L45.2Very low55.7Low155 Ų155121.6 Ų121.681%0.81267%0.667SS**  trans-53.4128.8168.6-79.6153.6000106.3P454 C458P454-L456 PolarHBondContact O-N 2.93Å; L456-C458 PolarHBondContact O-N 3.31Å; L456-C458 VanDerWaalsContact O-N 3.11Å
457P41Very low54.3Low113 Ų113124.2 Ų124.273%0.73468%0.682SS**  trans-54126.417720.7-29.2000107.3E459P457-E459 PolarHBondContact O-N 2.92Å
458C44.8Very low53Low121 Ų121131.3 Ų131.382%0.81872%0.719SS**  trans-48112.9171.2-79.20000106.9L456 T460L456-C458 PolarHBondContact O-N 3.31Å; L456-C458 VanDerWaalsContact O-N 3.11Å; C458-T460 PolarHBondContact O-N 3.06Å
459E40.2Very low51.5Low190 Ų190135.2 Ų135.289%0.88874%0.744SS**  trans-57.5102.6163-78.5-179.116100105.1P457 S461P457-E459 PolarHBondContact O-N 2.92Å; E459-S461 PolarHBondContact O-N 3.04Å
460T41.7Very low50Low122 Ų122137.4 Ų137.475%0.74876%0.758SS**  trans-57.498.5160.439.90000105C458 I462C458-T460 PolarHBondContact O-N 3.06Å; T460-I462 PolarHBondContact O-N 2.97Å
461S38.8Very low48.5Very low111 Ų111139.5 Ų139.578%0.77678%0.777SS**  trans-62.889.4164.858.40000106.6E459 N463E459-S461 PolarHBondContact O-N 3.04Å; S461-N463 VanDerWaalsContact C-N 3.31Å; S461-N463 PolarHBondContact O-N 3.48Å; S461-N463 VanDerWaalsContact O-N 3.16Å
462I44.5Very low47.1Very low149 Ų149143.5 Ų143.576%0.76480%0.802SS**  trans-64.5103.3152.5-61.6171.9000104T460T460-I462 PolarHBondContact O-N 2.97Å
463N38.2Very low45.7Very low230 Ų230148.5 Ų148.5100%1.2382%0.819SS**  trans-159.90149.8-88.3-24.3000108.6S461S461-N463 VanDerWaalsContact C-N 3.31Å; S461-N463 PolarHBondContact O-N 3.48Å; S461-N463 VanDerWaalsContact O-N 3.16Å

Retrieved 463 of 463 residues in 150.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).