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Elongation of very long chain fatty acids protein 6

Catalyzes the first and rate-limiting reaction of the four reactions that constitute the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process allows the addition of 2 carbons to the chain of long- and very long-chain fatty acids (VLCFAs) per cycle. Condensing enzyme that elongates fatty acids with 12, 14 and 16 carbons with higher activity toward C16:0 acyl-CoAs. Catalyzes the synthesis of unsaturated C16 long chain fatty acids and, to a lesser extent, C18:0 and those with low desaturation degree. May participate to the production of saturated and monounsaturated VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators.

AlphaFold DB , UniProt , Accession A0A2K6DV15, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene ELOVL6, Length 265 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.8Very low60.5Low207 Ų207103.8 Ų103.8100%1.0253%0.532SS*.  0110.10-119.9165.477.500107.4M3 L6M1-M3 PolarHBondContact O-N 3.32Å; M1-L6 HydrophobicContact CE-CD1 3.81Å; M1-L6 HydrophobicContact CE-CG 4.4Å
2N45.1Very low62.7Low119 Ų119104.8 Ų104.864%0.63653%0.532SS*.  trans-68130.8-175-80.1-9.5000110.4S4 V5N2-S4 PolarHBondContact O-N 2.97Å; N2-V5 HydrophobicContact CB-CG2 4.3Å; N2-V5 WeakPolarHBondContact O-CB 3.27Å; N2-V5 PolarHBondContact O-N 3.35Å
3M46.7Very low64.8Low161 Ų161103.8 Ų103.879%0.79352%0.522SS*.Hα-helixtrans-55.9-23.2179.9-168.9156.756.300113.3M1 T7M1-M3 PolarHBondContact O-N 3.32Å; M3-T7 PolarHBondContact O-N 3.05Å; M3-T7 PolarHBondContact O-OG1 3.35Å
4S51.8Low66.6Low52 Ų5296.4 Ų96.436%0.36449%0.485SS..Hα-helixtrans-68.4-26172.748.10000114.5N2 T7 L8N2-S4 PolarHBondContact O-N 2.97Å; S4-T7 WeakPolarHBondContact CA-OG1 3.36Å; S4-T7 PolarHBondContact O-OG1 2.9Å; S4-L8 WeakPolarHBondContact O-CD1 3.2Å; S4-L8 VanDerWaalsContact O-CG 3.28Å; S4-L8 WeakPolarHBondContact O-CG 3.3Å; S4-L8 PolarHBondContact O-N 3.35Å
5V52.2Low68Low100 Ų10096.1 Ų96.161%0.60648%0.479SS*.Hα-helixtrans-77.5-37.4179.3179.20000110.8N2 L8N2-V5 HydrophobicContact CB-CG2 4.3Å; N2-V5 WeakPolarHBondContact O-CB 3.27Å; N2-V5 PolarHBondContact O-N 3.35Å; V5-L8 PolarHBondContact O-N 3.32Å
6L51.5Low69.4Low104 Ų10499.7 Ų99.755%0.54549%0.494SS..Hα-helixtrans-68.1-35.6176.3-101.4147.9000112.4M1 L8M1-L6 HydrophobicContact CE-CD1 3.81Å; M1-L6 HydrophobicContact CE-CG 4.4Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.2Å
7T58.2Low70.8Confident56 Ų5695.9 Ų95.934%0.34447%0.474SS..THydrogen-bonded Turntrans-79.8-9.9178.350.30000114.2M3 S4 R80M3-T7 PolarHBondContact O-N 3.05Å; M3-T7 PolarHBondContact O-OG1 3.35Å; S4-T7 WeakPolarHBondContact CA-OG1 3.36Å; S4-T7 PolarHBondContact O-OG1 2.9Å; T7-R80 PolarHBondContact O-NH1 2.99Å
8L66.2Low72Confident42 Ų4294.8 Ų94.822%0.2247%0.471CS..THydrogen-bonded Turntrans-97.2-6174.4-73.4170.4000113.5S4 V5 L6 E10 Y87 V108S4-L8 WeakPolarHBondContact O-CD1 3.2Å; S4-L8 VanDerWaalsContact O-CG 3.28Å; S4-L8 WeakPolarHBondContact O-CG 3.3Å; S4-L8 PolarHBondContact O-N 3.35Å; V5-L8 PolarHBondContact O-N 3.32Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.2Å; L8-E10 PolarHBondContact O-N 2.97Å; L8-Y87 HydrophobicContact CD1-CD1 4.42Å; L8-Y87 HydrophobicContact CD1-CD2 3.71Å; L8-Y87 HydrophobicContact CD1-CE2 4.36Å; L8-Y87 HydrophobicContact CD1-CG 3.74Å; L8-V108 VanDerWaalsContact O-CG2 3.26Å; L8-V108 WeakPolarHBondContact O-CG2 3.47Å
9Q79.6Confident73Confident132 Ų13291.8 Ų91.862%0.61746%0.455SS*.SBendtrans-67123.2171.9-172.1170.5-2.700109.2R80Q9-R80 PolarHBondContact O-NH1 2.67Å; Q9-R80 PolarHBondContact O-NH2 3.28Å
10E83.1Confident73.9Confident60 Ų6092.4 Ų92.428%0.2846%0.46SS..PPolyproline II helixtrans-67.5137.6-179.8-65.2168.9-102.700111.4L8 E14 K15 P107 V108L8-E10 PolarHBondContact O-N 2.97Å; E10-E14 WeakPolarHBondContact CA-OE2 3.4Å; E10-K15 HydrophobicContact CB-CD 4.34Å; E10-K15 HydrophobicContact CB-CG 3.62Å; E10-K15 HydrophobicContact CG-CG 4.39Å; E10-K15 WeakPolarHBondContact OE2-CG 2.76Å; E10-P107 HydrophobicContact CG-CB 3.58Å; E10-P107 VanDerWaalsContact OE1-CB 3.24Å; E10-P107 WeakPolarHBondContact OE1-CB 3.38Å; E10-P107 WeakPolarHBondContact OE2-CB 3.23Å; E10-V108 HydrophobicContact CG-CG2 4.05Å
11Y88.1Confident74.9Confident109 Ų10994 Ų9443%0.42747%0.466SS..PPolyproline II helixtrans-75.5155.4164.1-61.7-54.8000110.3F13 E14 K15Y11-F13 VanDerWaalsContact C-N 3.25Å; Y11-F13 AromaticContact CD2-CE1 3.65Å; Y11-F13 HydrophobicContact CD2-CE1 3.65Å; Y11-F13 AromaticContact CD2-CZ 3.88Å; Y11-F13 HydrophobicContact CD2-CZ 3.88Å; Y11-F13 HydrophobicContact CG-CD1 4.48Å; Y11-F13 AromaticContact CG-CE1 3.79Å; Y11-F13 HydrophobicContact CG-CE1 3.79Å; Y11-F13 HydrophobicContact CG-CZ 4.42Å; Y11-F13 PolarHBondContact O-N 2.74Å; Y11-E14 PolarHBondContact N-OE2 3.18Å; Y11-E14 WeakPolarHBondContact O-CB 3.25Å; Y11-E14 PolarHBondContact O-N 2.9Å; Y11-K15 PolarHBondContact O-N 3.18Å; Y11-K15 VanDerWaalsContact O-N 3.11Å
12E87.6Confident77.3Confident115 Ų11584.4 Ų84.454%0.53742%0.42SS..Hα-helixtrans-56.7-37.8-177.7-68.1-57.2121.600113.1E14 K15 Q16E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 3.43Å; E12-K15 PolarHBondContact O-N 3.06Å; E12-K15 IonicContact OE1-NZ 3.56Å; E12-K15 PolarHBondContact OE1-NZ 3.13Å; E12-Q16 VanDerWaalsContact O-CG 3.29Å; E12-Q16 WeakPolarHBondContact O-CG 3.17Å; E12-Q16 PolarHBondContact O-N 3.37Å; E12-Q16 VanDerWaalsContact O-N 3.09Å
13F89.5Confident79.6Confident92 Ų9279.4 Ų79.440%0.40439%0.393SS..Hα-helixtrans-69.9-28.2177.273.8-93.4000113.2Y11 F17 F111 W112Y11-F13 VanDerWaalsContact C-N 3.25Å; Y11-F13 AromaticContact CD2-CE1 3.65Å; Y11-F13 HydrophobicContact CD2-CE1 3.65Å; Y11-F13 AromaticContact CD2-CZ 3.88Å; Y11-F13 HydrophobicContact CD2-CZ 3.88Å; Y11-F13 HydrophobicContact CG-CD1 4.48Å; Y11-F13 AromaticContact CG-CE1 3.79Å; Y11-F13 HydrophobicContact CG-CE1 3.79Å; Y11-F13 HydrophobicContact CG-CZ 4.42Å; Y11-F13 PolarHBondContact O-N 2.74Å; F13-F17 PolarHBondContact O-N 3.45Å; F13-F111 HydrophobicContact CD2-CD1 4.25Å; F13-F111 HydrophobicContact CD2-CD2 4.27Å; F13-F111 HydrophobicContact CD2-CE1 4.24Å; F13-F111 HydrophobicContact CD2-CE2 4.26Å; F13-F111 HydrophobicContact CD2-CG 4.26Å; F13-F111 HydrophobicContact CD2-CZ 4.24Å; F13-F111 AromaticContact CE2-CD1 3.61Å; F13-F111 HydrophobicContact CE2-CD1 3.61Å; F13-F111 HydrophobicContact CE2-CD2 4.43Å; F13-F111 AromaticContact CE2-CE1 3.61Å; F13-F111 HydrophobicContact CE2-CE1 3.61Å; F13-F111 HydrophobicContact CE2-CE2 4.43Å; F13-F111 HydrophobicContact CE2-CG 4.03Å; F13-F111 HydrophobicContact CE2-CZ 4.04Å; F13-W112 HydrophobicContact CZ-CZ2 4.32Å
14E90.4Very high82Confident0 Ų077 Ų770%038%0.38CS..Hα-helixtrans-73.3-39.9176.4-63.7170.1155.700109.9E10 Y11 E12 F17 R80 K110 F111 W112E10-E14 WeakPolarHBondContact CA-OE2 3.4Å; Y11-E14 PolarHBondContact N-OE2 3.18Å; Y11-E14 WeakPolarHBondContact O-CB 3.25Å; Y11-E14 PolarHBondContact O-N 2.9Å; E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 3.43Å; E14-F17 WeakPolarHBondContact O-CB 3.43Å; E14-F17 PolarHBondContact O-N 2.99Å; E14-R80 IonicContact OE1-CZ 2.75Å; E14-R80 IonicContact OE1-NE 3.53Å; E14-R80 PolarHBondContact OE1-NE 2.85Å; E14-R80 IonicContact OE1-NH2 3.79Å; E14-R80 PolarHBondContact OE1-NH2 3.47Å; E14-R80 IonicContact OE2-CZ 2.96Å; E14-R80 IonicContact OE2-NE 3.93Å; E14-R80 IonicContact OE2-NH2 2.83Å; E14-R80 PolarHBondContact OE2-NH2 3.29Å; E14-K110 WeakPolarHBondContact O-CE 3.15Å; E14-F111 HydrophobicContact CG-CB 4.42Å; E14-W112 PolarHBondContact OE1-NE1 3.15Å
15K87.6Confident84.1Confident92 Ų9278.6 Ų78.640%0.438%0.378SS..Hα-helixtrans-61.3-45.2175.2-64.3177.9-172.8167.10112.1E10 Y11 E12 F17E10-K15 HydrophobicContact CB-CD 4.34Å; E10-K15 HydrophobicContact CB-CG 3.62Å; E10-K15 HydrophobicContact CG-CG 4.39Å; E10-K15 WeakPolarHBondContact OE2-CG 2.76Å; Y11-K15 PolarHBondContact O-N 3.18Å; Y11-K15 VanDerWaalsContact O-N 3.11Å; E12-K15 PolarHBondContact O-N 3.06Å; E12-K15 IonicContact OE1-NZ 3.56Å; E12-K15 PolarHBondContact OE1-NZ 3.13Å; K15-F17 PolarHBondContact O-N 3.43Å
16Q90.1Very high86.1Confident154 Ų15473.9 Ų73.972%0.7235%0.349SS*.THydrogen-bonded Turntrans-73.8-12.9-177.9-69.5175.42.900113.4E12 N18E12-Q16 VanDerWaalsContact O-CG 3.29Å; E12-Q16 WeakPolarHBondContact O-CG 3.17Å; E12-Q16 PolarHBondContact O-N 3.37Å; E12-Q16 VanDerWaalsContact O-N 3.09Å; Q16-N18 PolarHBondContact O-N 3.33Å
17F92.8Very high88.1Confident35 Ų3573.3 Ų73.315%0.15434%0.344CS..  trans-69.3125.6-179.8-177.2-102.5000111.2F13 E14 K15 E19 A22 K110 F111 Y114F13-F17 PolarHBondContact O-N 3.45Å; E14-F17 WeakPolarHBondContact O-CB 3.43Å; E14-F17 PolarHBondContact O-N 2.99Å; K15-F17 PolarHBondContact O-N 3.43Å; F17-E19 HydrophobicContact CE1-CB 4.34Å; F17-E19 PolarHBondContact O-N 2.87Å; F17-A22 HydrophobicContact CE1-CB 3.99Å; F17-A22 HydrophobicContact CE2-CB 4.38Å; F17-A22 HydrophobicContact CZ-CB 3.48Å; F17-A22 VanDerWaalsContact CZ-CB 3.48Å; F17-K110 HydrophobicContact CD1-CB 4.36Å; F17-K110 HydrophobicContact CD1-CD 4.37Å; F17-K110 HydrophobicContact CD1-CG 3.96Å; F17-K110 WeakPolarHBondContact O-CE 3.45Å; F17-K110 PolarHBondContact O-NZ 2.66Å; F17-F111 HydrophobicContact CB-CB 4.31Å; F17-F111 HydrophobicContact CB-CD2 4.43Å; F17-F111 HydrophobicContact CD1-CB 4.18Å; F17-F111 AromaticContact CD2-CD2 3.73Å; F17-F111 HydrophobicContact CD2-CD2 3.73Å; F17-F111 HydrophobicContact CE2-CD2 4.15Å; F17-F111 HydrophobicContact CG-CB 4.08Å; F17-F111 HydrophobicContact CG-CD2 4.08Å; F17-Y114 AromaticContact CE2-CD1 3.7Å; F17-Y114 HydrophobicContact CE2-CD1 3.7Å; F17-Y114 HydrophobicContact CE2-CE1 4.31Å; F17-Y114 HydrophobicContact CE2-CG 4.36Å; F17-Y114 AromaticContact CZ-CD1 3.49Å; F17-Y114 HydrophobicContact CZ-CD1 3.49Å; F17-Y114 VanDerWaalsContact CZ-CD1 3.49Å; F17-Y114 HydrophobicContact CZ-CE1 4.33Å; F17-Y114 AromaticContact CZ-CG 3.69Å; F17-Y114 HydrophobicContact CZ-CG 3.69Å
18N92.4Very high89.9Confident76 Ų7676.5 Ų76.541%0.40636%0.355SS..  trans-90.697.5177.1-174.4-6.4000110.6Q16 N20 E21 A22Q16-N18 PolarHBondContact O-N 3.33Å; N18-N20 VanDerWaalsContact C-N 3.3Å; N18-N20 PolarHBondContact O-N 3.11Å; N18-N20 PolarHBondContact OD1-N 3.21Å; N18-E21 HydrophobicContact CB-CB 4.19Å; N18-E21 PolarHBondContact OD1-N 3.48Å; N18-A22 PolarHBondContact O-N 3.35Å
19E91.2Very high91.3Very high39 Ų3975.6 Ų75.618%0.18235%0.35CS..Hα-helixtrans-63.9-33.1179.263.5-81-170.800113.3F17 A22 I23 N105 K110F17-E19 HydrophobicContact CE1-CB 4.34Å; F17-E19 PolarHBondContact O-N 2.87Å; E19-A22 PolarHBondContact O-N 3.41Å; E19-I23 WeakPolarHBondContact O-CB 3.31Å; E19-I23 WeakPolarHBondContact O-CD1 3.47Å; E19-I23 VanDerWaalsContact O-CG1 3.25Å; E19-I23 WeakPolarHBondContact O-CG1 3.17Å; E19-I23 PolarHBondContact O-N 3.48Å; E19-N105 HydrophobicContact CG-CB 4.29Å; E19-N105 WeakPolarHBondContact CG-OD1 3.19Å; E19-K110 HydrophobicContact CB-CB 4.2Å; E19-K110 HydrophobicContact CB-CD 4.28Å; E19-K110 HydrophobicContact CG-CD 4.49Å; E19-K110 WeakPolarHBondContact OE2-CD 3.35Å; E19-K110 IonicContact OE2-NZ 3.32Å; E19-K110 PolarHBondContact OE2-NZ 2.93Å
20N92.2Very high92Very high103 Ų10371.4 Ų71.455%0.55133%0.329SS*.Hα-helixtrans-67.1-43-177.9-65.7-50.3000111.2N18 A22 I23 Q24N18-N20 VanDerWaalsContact C-N 3.3Å; N18-N20 PolarHBondContact O-N 3.11Å; N18-N20 PolarHBondContact OD1-N 3.21Å; N20-A22 VanDerWaalsContact C-N 3.34Å; N20-I23 PolarHBondContact O-N 2.97Å; N20-Q24 WeakPolarHBondContact O-CB 3.17Å; N20-Q24 PolarHBondContact O-N 3.31Å
21E94Very high92.5Very high126 Ų12675.1 Ų75.159%0.58934%0.344SS*.Hα-helixtrans-64.3-41175.1-175.2179.4176.100111.2N18 Q24 W25N18-E21 HydrophobicContact CB-CB 4.19Å; N18-E21 PolarHBondContact OD1-N 3.48Å; E21-Q24 PolarHBondContact O-N 3.27Å; E21-W25 VanDerWaalsContact O-CB 3.32Å; E21-W25 WeakPolarHBondContact O-CB 3.2Å; E21-W25 PolarHBondContact O-N 3.47Å
22A93.7Very high92.8Very high6 Ų674.4 Ų74.45%0.0534%0.343CS..Hα-helixtrans-63-44.5176.600000112.4F17 N18 E19 N20 W25 M26 Y114F17-A22 HydrophobicContact CE1-CB 3.99Å; F17-A22 HydrophobicContact CE2-CB 4.38Å; F17-A22 HydrophobicContact CZ-CB 3.48Å; F17-A22 VanDerWaalsContact CZ-CB 3.48Å; N18-A22 PolarHBondContact O-N 3.35Å; E19-A22 PolarHBondContact O-N 3.41Å; N20-A22 VanDerWaalsContact C-N 3.34Å; A22-W25 PolarHBondContact O-N 2.94Å; A22-M26 VanDerWaalsContact O-CG 3.31Å; A22-M26 WeakPolarHBondContact O-CG 3.15Å; A22-M26 PolarHBondContact O-N 3.35Å; A22-Y114 HydrophobicContact CB-CD1 4.26Å; A22-Y114 HydrophobicContact CB-CD2 3.72Å; A22-Y114 HydrophobicContact CB-CE1 4.4Å; A22-Y114 HydrophobicContact CB-CE2 3.89Å; A22-Y114 HydrophobicContact CB-CG 3.91Å
23I93.6Very high93.2Very high14 Ų1469 Ų697%0.07232%0.318CS..Hα-helixtrans-62.9-48.1176-70.2162000110.4E19 N20 W25 M26 Q27 N105 Y156 M159E19-I23 WeakPolarHBondContact O-CB 3.31Å; E19-I23 WeakPolarHBondContact O-CD1 3.47Å; E19-I23 VanDerWaalsContact O-CG1 3.25Å; E19-I23 WeakPolarHBondContact O-CG1 3.17Å; E19-I23 PolarHBondContact O-N 3.48Å; N20-I23 PolarHBondContact O-N 2.97Å; I23-W25 VanDerWaalsContact C-N 3.35Å; I23-W25 PolarHBondContact O-N 3.05Å; I23-M26 PolarHBondContact O-N 2.89Å; I23-Q27 HydrophobicContact CG2-CG 4.41Å; I23-Q27 WeakPolarHBondContact O-CG 3.46Å; I23-Q27 PolarHBondContact O-N 2.66Å; I23-N105 VanDerWaalsContact CD1-OD1 3.3Å; I23-N105 WeakPolarHBondContact CD1-OD1 3.37Å; I23-Y156 HydrophobicContact CG1-CE1 4.14Å; I23-M159 HydrophobicContact CD1-SD 3.62Å; I23-M159 HydrophobicContact CG1-SD 4.27Å
24Q95.5Very high93.6Very high109 Ų10969.9 Ų69.951%0.50932%0.322SS..Hα-helixtrans-59.6-46.5178.2-176.6178.6-7.700111.2N20 E21 M26 Q27 E28N20-Q24 WeakPolarHBondContact O-CB 3.17Å; N20-Q24 PolarHBondContact O-N 3.31Å; E21-Q24 PolarHBondContact O-N 3.27Å; Q24-M26 VanDerWaalsContact C-N 3.29Å; Q24-M26 PolarHBondContact O-N 3.26Å; Q24-Q27 WeakPolarHBondContact O-CB 3.48Å; Q24-Q27 PolarHBondContact O-N 2.94Å; Q24-Q27 VanDerWaalsContact O-N 3.12Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.46Å; Q24-E28 PolarHBondContact NE2-OE1 3.48Å; Q24-E28 WeakPolarHBondContact O-CG 3.35Å; Q24-E28 PolarHBondContact O-N 3.06Å
25W96Very high93.8Very high87 Ų8774.8 Ų74.833%0.3335%0.348SS..Hα-helixtrans-57.9-44176.8-173.293.5000111.2E21 A22 I23 E28 N29 Y114 L118 W153E21-W25 VanDerWaalsContact O-CB 3.32Å; E21-W25 WeakPolarHBondContact O-CB 3.2Å; E21-W25 PolarHBondContact O-N 3.47Å; A22-W25 PolarHBondContact O-N 2.94Å; I23-W25 VanDerWaalsContact C-N 3.35Å; I23-W25 PolarHBondContact O-N 3.05Å; W25-E28 PolarHBondContact O-N 3.34Å; W25-N29 HydrophobicContact CD2-CB 4.07Å; W25-N29 HydrophobicContact CE3-CB 4.13Å; W25-N29 HydrophobicContact CH2-CB 4.12Å; W25-N29 HydrophobicContact CZ2-CB 4.04Å; W25-N29 HydrophobicContact CZ3-CB 4.15Å; W25-N29 WeakPolarHBondContact O-CB 3.35Å; W25-N29 PolarHBondContact O-N 2.9Å; W25-N29 PolarHBondContact O-ND2 3.41Å; W25-Y114 HydrophobicContact CE3-CE2 4.33Å; W25-L118 HydrophobicContact CH2-CD2 4.27Å; W25-L118 HydrophobicContact CZ3-CD2 3.93Å; W25-W153 AromaticContact CH2-CH2 3.76Å; W25-W153 HydrophobicContact CH2-CH2 3.76Å; W25-W153 HydrophobicContact CH2-CZ3 4.02Å; W25-W153 HydrophobicContact CZ3-CH2 4.03Å; W25-W153 HydrophobicContact CZ3-CZ3 4.1Å
26M94.4Very high94.2Very high0 Ų074.2 Ų74.20%035%0.345CS..Hα-helixtrans-64.6-40.2177-72.8-62-51.100112.2A22 I23 Q24 E28 N29 W30 Y114 V117 W153 Y156A22-M26 VanDerWaalsContact O-CG 3.31Å; A22-M26 WeakPolarHBondContact O-CG 3.15Å; A22-M26 PolarHBondContact O-N 3.35Å; I23-M26 PolarHBondContact O-N 2.89Å; Q24-M26 VanDerWaalsContact C-N 3.29Å; Q24-M26 PolarHBondContact O-N 3.26Å; M26-E28 VanDerWaalsContact C-N 3.3Å; M26-E28 PolarHBondContact O-N 3.21Å; M26-N29 PolarHBondContact O-N 3.07Å; M26-W30 WeakPolarHBondContact O-CA 3.42Å; M26-W30 VanDerWaalsContact O-CB 3.24Å; M26-W30 WeakPolarHBondContact O-CB 3.35Å; M26-W30 PolarHBondContact O-N 3.13Å; M26-Y114 HydrophobicContact CG-CD2 4.14Å; M26-Y114 HydrophobicContact CG-CE2 3.79Å; M26-Y114 HydrophobicContact SD-CE2 4.05Å; M26-V117 HydrophobicContact CE-CG1 3.54Å; M26-V117 HydrophobicContact SD-CG1 4.24Å; M26-W153 HydrophobicContact CE-CB 3.89Å; M26-W153 HydrophobicContact CE-CD2 3.98Å; M26-W153 HydrophobicContact CE-CE3 4.23Å; M26-W153 HydrophobicContact CE-CG 3.87Å; M26-Y156 HydrophobicContact CB-CD1 3.68Å; M26-Y156 HydrophobicContact CB-CE1 4.05Å; M26-Y156 HydrophobicContact CE-CD1 4.47Å; M26-Y156 HydrophobicContact CG-CD1 3.46Å; M26-Y156 VanDerWaalsContact CG-CD1 3.46Å; M26-Y156 HydrophobicContact CG-CE1 3.62Å; M26-Y156 HydrophobicContact CG-CG 4.44Å
27Q93.6Very high94.5Very high93 Ų9367.3 Ų67.344%0.43531%0.314SS..Hα-helixtrans-62-37.1176.5-72.5175.5-9.200112.7I23 Q24 W30 K157I23-Q27 HydrophobicContact CG2-CG 4.41Å; I23-Q27 WeakPolarHBondContact O-CG 3.46Å; I23-Q27 PolarHBondContact O-N 2.66Å; Q24-Q27 WeakPolarHBondContact O-CB 3.48Å; Q24-Q27 PolarHBondContact O-N 2.94Å; Q24-Q27 VanDerWaalsContact O-N 3.12Å; Q27-W30 VanDerWaalsContact O-CD1 3.26Å; Q27-K157 HydrophobicContact CG-CB 4.27Å; Q27-K157 HydrophobicContact CG-CG 4.2Å
28E95.5Very high94.7Very high123 Ų12368.4 Ų68.458%0.57533%0.329SS*.Hα-helixtrans-78.6-34177.8-68.9173.5-170.800112.5Q24 W25 M26Q24-E28 WeakPolarHBondContact CG-OE1 3.46Å; Q24-E28 PolarHBondContact NE2-OE1 3.48Å; Q24-E28 WeakPolarHBondContact O-CG 3.35Å; Q24-E28 PolarHBondContact O-N 3.06Å; W25-E28 PolarHBondContact O-N 3.34Å; M26-E28 VanDerWaalsContact C-N 3.3Å; M26-E28 PolarHBondContact O-N 3.21Å
29N95.8Very high94.9Very high22 Ų2269.8 Ų69.812%0.11834%0.336CS..Hα-helixtrans-113.4-3.3-164.8-64.6-82.1000115.2W25 M26 K31 K32W25-N29 HydrophobicContact CD2-CB 4.07Å; W25-N29 HydrophobicContact CE3-CB 4.13Å; W25-N29 HydrophobicContact CH2-CB 4.12Å; W25-N29 HydrophobicContact CZ2-CB 4.04Å; W25-N29 HydrophobicContact CZ3-CB 4.15Å; W25-N29 WeakPolarHBondContact O-CB 3.35Å; W25-N29 PolarHBondContact O-N 2.9Å; W25-N29 PolarHBondContact O-ND2 3.41Å; M26-N29 PolarHBondContact O-N 3.07Å; N29-K31 PolarHBondContact O-N 3.24Å; N29-K32 HydrophobicContact CB-CD 4.06Å; N29-K32 HydrophobicContact CB-CG 4.5Å; N29-K32 VanDerWaalsContact O-CB 3.27Å; N29-K32 WeakPolarHBondContact O-CB 3.44Å; N29-K32 WeakPolarHBondContact O-CG 3.34Å; N29-K32 PolarHBondContact O-N 2.89Å; N29-K32 WeakPolarHBondContact OD1-CE 3.2Å; N29-K32 PolarHBondContact OD1-NZ 3.48Å
30W94.1Very high95.1Very high44 Ų4468.4 Ų68.417%0.16733%0.33CS..THydrogen-bonded Turntrans-53.8-32.5-176.471-84.1000113.1M26 Q27 K32 S33 F34 W153 Y154 K157M26-W30 WeakPolarHBondContact O-CA 3.42Å; M26-W30 VanDerWaalsContact O-CB 3.24Å; M26-W30 WeakPolarHBondContact O-CB 3.35Å; M26-W30 PolarHBondContact O-N 3.13Å; Q27-W30 VanDerWaalsContact O-CD1 3.26Å; W30-K32 PolarHBondContact O-N 3.39Å; W30-S33 VanDerWaalsContact O-CB 3.29Å; W30-S33 WeakPolarHBondContact O-CB 3.4Å; W30-S33 PolarHBondContact O-N 3.41Å; W30-S33 VanDerWaalsContact O-N 3.15Å; W30-S33 PolarHBondContact O-OG 3.21Å; W30-F34 HydrophobicContact CE3-CE2 4.35Å; W30-F34 HydrophobicContact CH2-CE2 4.19Å; W30-F34 AromaticContact CZ3-CE2 3.61Å; W30-F34 HydrophobicContact CZ3-CE2 3.61Å; W30-F34 HydrophobicContact CZ3-CZ 4.28Å; W30-W153 HydrophobicContact CB-CB 4.34Å; W30-Y154 HydrophobicContact CE3-CD2 4.13Å; W30-Y154 HydrophobicContact CH2-CD2 4.18Å; W30-Y154 AromaticContact CZ3-CD2 3.88Å; W30-Y154 HydrophobicContact CZ3-CD2 3.88Å; W30-K157 HydrophobicContact CB-CB 4.48Å; W30-K157 HydrophobicContact CD2-CD 4.26Å; W30-K157 HydrophobicContact CG-CD 3.86Å
31K95.1Very high95.3Very high138 Ų13864.6 Ų64.660%0.631%0.312SS*.THydrogen-bonded Turntrans-64.5-20178.4-63.7-178.4-177.3173.70113.5N29 S33 F34N29-K31 PolarHBondContact O-N 3.24Å; K31-S33 PolarHBondContact O-N 2.94Å; K31-F34 WeakPolarHBondContact O-CB 3.08Å; K31-F34 WeakPolarHBondContact O-CD2 3.37Å; K31-F34 PolarHBondContact O-N 3.45Å; K31-F34 VanDerWaalsContact O-N 3.08Å
32K94.7Very high95.3Very high95 Ų9561.7 Ų61.741%0.41331%0.309SS..Hα-helixtrans-61.1-22.9174.3-66.8-178.6175.8166.50112.2N29 W30 F34 L35 F36 W153N29-K32 HydrophobicContact CB-CD 4.06Å; N29-K32 HydrophobicContact CB-CG 4.5Å; N29-K32 VanDerWaalsContact O-CB 3.27Å; N29-K32 WeakPolarHBondContact O-CB 3.44Å; N29-K32 WeakPolarHBondContact O-CG 3.34Å; N29-K32 PolarHBondContact O-N 2.89Å; N29-K32 WeakPolarHBondContact OD1-CE 3.2Å; N29-K32 PolarHBondContact OD1-NZ 3.48Å; W30-K32 PolarHBondContact O-N 3.39Å; K32-F34 PolarHBondContact O-N 3.44Å; K32-L35 WeakPolarHBondContact O-CB 3.38Å; K32-L35 PolarHBondContact O-N 2.88Å; K32-L35 VanDerWaalsContact O-N 3.08Å; K32-F36 PolarHBondContact O-N 3.05Å; K32-W153 HydrophobicContact CB-CZ3 4.02Å
33S95.5Very high95.4Very high0 Ų064.8 Ų64.80%032%0.322CS..Hα-helixtrans-57.1-32.2172.562.90000113.2W30 K31 S37W30-S33 VanDerWaalsContact O-CB 3.29Å; W30-S33 WeakPolarHBondContact O-CB 3.4Å; W30-S33 PolarHBondContact O-N 3.41Å; W30-S33 VanDerWaalsContact O-N 3.15Å; W30-S33 PolarHBondContact O-OG 3.21Å; K31-S33 PolarHBondContact O-N 2.94Å; S33-S37 VanDerWaalsContact O-CB 3.32Å; S33-S37 WeakPolarHBondContact O-CB 3.05Å; S33-S37 PolarHBondContact O-N 3.31Å; S33-S37 PolarHBondContact O-OG 2.84Å
34F96.6Very high95.4Very high111 Ų11164.1 Ų64.149%0.48732%0.319SS..Hα-helixtrans-67-42.8174.2-70.4-76.2000111.8W30 K31 K32 S37 A38 L150W30-F34 HydrophobicContact CE3-CE2 4.35Å; W30-F34 HydrophobicContact CH2-CE2 4.19Å; W30-F34 AromaticContact CZ3-CE2 3.61Å; W30-F34 HydrophobicContact CZ3-CE2 3.61Å; W30-F34 HydrophobicContact CZ3-CZ 4.28Å; K31-F34 WeakPolarHBondContact O-CB 3.08Å; K31-F34 WeakPolarHBondContact O-CD2 3.37Å; K31-F34 PolarHBondContact O-N 3.45Å; K31-F34 VanDerWaalsContact O-N 3.08Å; K32-F34 PolarHBondContact O-N 3.44Å; F34-S37 PolarHBondContact O-N 3.14Å; F34-A38 WeakPolarHBondContact O-CB 3.42Å; F34-A38 PolarHBondContact O-N 2.88Å; F34-L150 HydrophobicContact CB-CD2 4.44Å; F34-L150 HydrophobicContact CD1-CD1 4.45Å; F34-L150 HydrophobicContact CD1-CD2 3.59Å; F34-L150 HydrophobicContact CD2-CD2 4.41Å; F34-L150 HydrophobicContact CE1-CD1 4.3Å; F34-L150 HydrophobicContact CE1-CD2 3.84Å; F34-L150 HydrophobicContact CG-CD2 3.89Å; F34-L150 HydrophobicContact CZ-CD2 4.35Å
35L96.1Very high95.3Very high104 Ų10464.5 Ų64.555%0.54532%0.319SS..Hα-helixtrans-63.2-47.5176.5177.561.5000110.7K32 S37 A38 L39K32-L35 WeakPolarHBondContact O-CB 3.38Å; K32-L35 PolarHBondContact O-N 2.88Å; K32-L35 VanDerWaalsContact O-N 3.08Å; L35-S37 VanDerWaalsContact C-N 3.32Å; L35-S37 PolarHBondContact O-N 3.31Å; L35-A38 PolarHBondContact O-N 2.83Å; L35-L39 HydrophobicContact CD1-CD1 4.24Å; L35-L39 HydrophobicContact CD1-CG 4.23Å; L35-L39 HydrophobicContact CG-CD1 4.14Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.18Å
36F96.1Very high95.2Very high79 Ų7962 Ų6235%0.34632%0.319SS..Hα-helixtrans-59.9-41.5175.7-66.9-33.8000112.4K32 L39 Y40 A121 L149 W153K32-F36 PolarHBondContact O-N 3.05Å; F36-L39 PolarHBondContact O-N 3.29Å; F36-Y40 WeakPolarHBondContact O-CB 3.22Å; F36-Y40 PolarHBondContact O-N 3.36Å; F36-A121 HydrophobicContact CD2-CB 4.43Å; F36-L149 HydrophobicContact CB-CD2 3.88Å; F36-W153 HydrophobicContact CD2-CH2 4.27Å; F36-W153 AromaticContact CE2-CH2 3.75Å; F36-W153 HydrophobicContact CE2-CH2 3.75Å; F36-W153 HydrophobicContact CE2-CZ2 4.27Å; F36-W153 HydrophobicContact CE2-CZ3 4.37Å
37S96.3Very high95.1Very high9 Ų962.4 Ų62.46%0.06332%0.324CS..Hα-helixtrans-63.7-41175.9-63.20000112.8S33 F34 L35 Y40 A41S33-S37 VanDerWaalsContact O-CB 3.32Å; S33-S37 WeakPolarHBondContact O-CB 3.05Å; S33-S37 PolarHBondContact O-N 3.31Å; S33-S37 PolarHBondContact O-OG 2.84Å; F34-S37 PolarHBondContact O-N 3.14Å; L35-S37 VanDerWaalsContact C-N 3.32Å; L35-S37 PolarHBondContact O-N 3.31Å; S37-Y40 PolarHBondContact O-N 2.93Å; S37-A41 WeakPolarHBondContact O-CB 3.27Å; S37-A41 PolarHBondContact O-N 3.19Å
38A96.3Very high94.9Very high58 Ų5862.1 Ų62.148%0.47932%0.319SS..Hα-helixtrans-66.1-46.2177.500000111.7F34 L35 Y40 A41 A42F34-A38 WeakPolarHBondContact O-CB 3.42Å; F34-A38 PolarHBondContact O-N 2.88Å; L35-A38 PolarHBondContact O-N 2.83Å; A38-Y40 VanDerWaalsContact C-N 3.31Å; A38-Y40 PolarHBondContact O-N 2.75Å; A38-A41 PolarHBondContact O-N 3.28Å; A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 3.35Å
39L96.1Very high94.8Very high105 Ų10562 Ų6255%0.5532%0.318SS..Hα-helixtrans-60.7-42.3175.1-70.7174.6000111.5L35 F36 A42 F43L35-L39 HydrophobicContact CD1-CD1 4.24Å; L35-L39 HydrophobicContact CD1-CG 4.23Å; L35-L39 HydrophobicContact CG-CD1 4.14Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.18Å; F36-L39 PolarHBondContact O-N 3.29Å; L39-A42 PolarHBondContact O-N 2.92Å; L39-F43 WeakPolarHBondContact O-CB 3.36Å; L39-F43 PolarHBondContact O-N 3.45Å
40Y96.3Very high94.7Very high11 Ų1166.2 Ų66.24%0.04334%0.34CS..Hα-helixtrans-62.7-46175.8171.1-98.9000112.4F36 S37 A38 A42 F43 V44 L124 T127 W142 H145 I146F36-Y40 WeakPolarHBondContact O-CB 3.22Å; F36-Y40 PolarHBondContact O-N 3.36Å; S37-Y40 PolarHBondContact O-N 2.93Å; A38-Y40 VanDerWaalsContact C-N 3.31Å; A38-Y40 PolarHBondContact O-N 2.75Å; Y40-A42 PolarHBondContact O-N 3.45Å; Y40-F43 WeakPolarHBondContact O-CB 3.38Å; Y40-F43 PolarHBondContact O-N 2.9Å; Y40-V44 HydrophobicContact CD1-CG2 4.35Å; Y40-V44 HydrophobicContact CD2-CG2 4.4Å; Y40-V44 HydrophobicContact CE1-CG2 3.94Å; Y40-V44 HydrophobicContact CE2-CG2 4.01Å; Y40-V44 WeakPolarHBondContact O-CG2 3.27Å; Y40-V44 PolarHBondContact O-N 3.06Å; Y40-L124 HydrophobicContact CD1-CD2 4.4Å; Y40-L124 HydrophobicContact CD2-CB 3.79Å; Y40-L124 HydrophobicContact CD2-CD1 4.14Å; Y40-L124 HydrophobicContact CD2-CD2 3.82Å; Y40-L124 HydrophobicContact CD2-CG 4.13Å; Y40-L124 HydrophobicContact CE2-CB 4.04Å; Y40-L124 HydrophobicContact CE2-CD2 3.92Å; Y40-L124 HydrophobicContact CG-CD1 4.23Å; Y40-L124 HydrophobicContact CG-CD2 4.04Å; Y40-T127 HydrophobicContact CE2-CG2 3.9Å; Y40-T127 WeakPolarHBondContact CE2-OG1 2.95Å; Y40-T127 WeakPolarHBondContact OH-CG2 3.25Å; Y40-T127 PolarHBondContact OH-OG1 2.88Å; Y40-W142 HydrophobicContact CE1-CB 4.12Å; Y40-W142 WeakPolarHBondContact OH-CA 3.24Å; Y40-W142 WeakPolarHBondContact OH-CB 3.24Å; Y40-H145 HydrophobicContact CE1-CB 4.4Å; Y40-I146 HydrophobicContact CD1-CD1 3.86Å; Y40-I146 HydrophobicContact CD1-CG1 3.48Å; Y40-I146 VanDerWaalsContact CD1-CG1 3.48Å; Y40-I146 HydrophobicContact CE1-CD1 4.02Å; Y40-I146 HydrophobicContact CE1-CG1 3.64Å
41A95.3Very high94.6Very high23 Ų2364.7 Ų64.719%0.1934%0.335CS..Hα-helixtrans-60.6-45.917600000111.2S37 A38 F43 V44 F45 I146S37-A41 WeakPolarHBondContact O-CB 3.27Å; S37-A41 PolarHBondContact O-N 3.19Å; A38-A41 PolarHBondContact O-N 3.28Å; A41-F43 VanDerWaalsContact C-N 3.31Å; A41-F43 PolarHBondContact O-N 3.44Å; A41-V44 PolarHBondContact O-N 3.49Å; A41-V44 VanDerWaalsContact O-N 3.14Å; A41-F45 HydrophobicContact CB-CE2 4.47Å; A41-F45 WeakPolarHBondContact O-CD2 3.48Å; A41-F45 PolarHBondContact O-N 3.15Å; A41-I146 HydrophobicContact CB-CD1 4.29Å
42A95.7Very high94.3Very high64 Ų6463.6 Ų63.653%0.52934%0.336SS..Hα-helixtrans-57.9-43.217500000111.8A38 L39 Y40 G46A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 3.35Å; L39-A42 PolarHBondContact O-N 2.92Å; Y40-A42 PolarHBondContact O-N 3.45Å; A42-G46 WeakPolarHBondContact O-CA 3.35Å; A42-G46 PolarHBondContact O-N 2.77Å
43F95.1Very high94.1Very high72 Ų7267.8 Ų67.832%0.31635%0.354SS..Hα-helixtrans-63.4-41.5174.5174.3-92000112.5L39 Y40 A41 G47 I128 V131L39-F43 WeakPolarHBondContact O-CB 3.36Å; L39-F43 PolarHBondContact O-N 3.45Å; Y40-F43 WeakPolarHBondContact O-CB 3.38Å; Y40-F43 PolarHBondContact O-N 2.9Å; A41-F43 VanDerWaalsContact C-N 3.31Å; A41-F43 PolarHBondContact O-N 3.44Å; F43-G47 WeakPolarHBondContact O-CA 3.5Å; F43-G47 PolarHBondContact O-N 3.38Å; F43-I128 HydrophobicContact CD1-CG1 4.34Å; F43-I128 HydrophobicContact CE1-CB 4.14Å; F43-I128 HydrophobicContact CE1-CG1 3.68Å; F43-I128 HydrophobicContact CE1-CG2 4.49Å; F43-I128 HydrophobicContact CZ-CB 4.06Å; F43-I128 HydrophobicContact CZ-CG1 3.83Å; F43-I128 HydrophobicContact CZ-CG2 3.91Å; F43-V131 HydrophobicContact CE1-CB 4.29Å; F43-V131 HydrophobicContact CE1-CG2 4.29Å; F43-V131 HydrophobicContact CZ-CB 4.48Å; F43-V131 HydrophobicContact CZ-CG1 4.47Å
44V93.9Very high93.9Very high0 Ų075.3 Ų75.30%038%0.382CS..Hα-helixtrans-61.6-49.2179.2165.10000111.3Y40 A41 R48 T127 L137Y40-V44 HydrophobicContact CD1-CG2 4.35Å; Y40-V44 HydrophobicContact CD2-CG2 4.4Å; Y40-V44 HydrophobicContact CE1-CG2 3.94Å; Y40-V44 HydrophobicContact CE2-CG2 4.01Å; Y40-V44 WeakPolarHBondContact O-CG2 3.27Å; Y40-V44 PolarHBondContact O-N 3.06Å; A41-V44 PolarHBondContact O-N 3.49Å; A41-V44 VanDerWaalsContact O-N 3.14Å; V44-R48 WeakPolarHBondContact O-CB 3.02Å; V44-R48 WeakPolarHBondContact O-CG 3.15Å; V44-R48 PolarHBondContact O-N 2.86Å; V44-T127 HydrophobicContact CG2-CG2 3.67Å; V44-L137 HydrophobicContact CB-CD2 4.49Å; V44-L137 HydrophobicContact CG1-CD2 3.63Å; V44-L137 HydrophobicContact CG2-CD2 4.18Å
45F93Very high93.6Very high117 Ų11773.9 Ų73.951%0.51339%0.391SS..Hα-helixtrans-76.6-46.4-177.8-64.5-68.1000111.9A41 H49 W142A41-F45 HydrophobicContact CB-CE2 4.47Å; A41-F45 WeakPolarHBondContact O-CD2 3.48Å; A41-F45 PolarHBondContact O-N 3.15Å; F45-H49 PolarHBondContact O-N 3.13Å; F45-W142 HydrophobicContact CZ-CZ2 4.48Å
46G93.4Very high93.5Very high33 Ų3374.9 Ų74.934%0.3439%0.391SS..Hα-helixtrans-67.2-45.1178.500000112.8A42 R48 H49 L50A42-G46 WeakPolarHBondContact O-CA 3.35Å; A42-G46 PolarHBondContact O-N 2.77Å; G46-R48 PolarHBondContact O-N 2.79Å; G46-H49 PolarHBondContact O-N 2.8Å; G46-H49 VanDerWaalsContact O-N 3.15Å; G46-L50 WeakPolarHBondContact O-CG 3.35Å; G46-L50 PolarHBondContact O-N 3.26Å
47G91.8Very high93.2Very high9 Ų975.5 Ų75.59%0.09339%0.394CS..Hα-helixtrans-61.7-40.2178.400000112.5F43 M51F43-G47 WeakPolarHBondContact O-CA 3.5Å; F43-G47 PolarHBondContact O-N 3.38Å; G47-M51 VanDerWaalsContact O-CB 3.25Å; G47-M51 WeakPolarHBondContact O-CB 3.29Å; G47-M51 VanDerWaalsContact O-CG 3.23Å; G47-M51 WeakPolarHBondContact O-CG 3.43Å; G47-M51 PolarHBondContact O-N 3.16Å
48R91.3Very high93Very high87 Ų8781.3 Ų81.333%0.32842%0.42SS..Hα-helixtrans-60.9-47.6171.4-79.6178.7-176-167.611.8111.8V44 G46 L50 M51 N52 V131 L137V44-R48 WeakPolarHBondContact O-CB 3.02Å; V44-R48 WeakPolarHBondContact O-CG 3.15Å; V44-R48 PolarHBondContact O-N 2.86Å; G46-R48 PolarHBondContact O-N 2.79Å; R48-L50 VanDerWaalsContact C-N 3.35Å; R48-L50 PolarHBondContact O-N 3Å; R48-M51 PolarHBondContact O-N 3.2Å; R48-N52 PolarHBondContact O-N 2.93Å; R48-N52 PolarHBondContact O-OD1 3.22Å; R48-V131 HydrophobicContact CG-CG2 4.4Å; R48-L137 PolarHBondContact NH2-O 3.29Å
49H92.3Very high92.8Very high120 Ų12080.3 Ų80.356%0.55641%0.406SS*.Hα-helixtrans-61-44-179.6-174.484.1000111.9F45 G46 N52F45-H49 PolarHBondContact O-N 3.13Å; G46-H49 PolarHBondContact O-N 2.8Å; G46-H49 VanDerWaalsContact O-N 3.15Å; H49-N52 WeakPolarHBondContact O-CB 3.46Å; H49-N52 PolarHBondContact O-N 3.16Å
50L93.2Very high92.5Very high112 Ų11281.2 Ų81.259%0.58640%0.402SS*.Hα-helixtrans-66-43.9177.3-69.8173.5000112.3G46 R48 N52 K53G46-L50 WeakPolarHBondContact O-CG 3.35Å; G46-L50 PolarHBondContact O-N 3.26Å; R48-L50 VanDerWaalsContact C-N 3.35Å; R48-L50 PolarHBondContact O-N 3Å; L50-N52 PolarHBondContact O-N 3.07Å; L50-K53 PolarHBondContact O-N 3.24Å
51M92.9Very high92.4Very high12 Ų1289.5 Ų89.56%0.05944%0.439CS..Hα-helixtrans-66.7-24.8-179.9-75.7-60.2-59.900112.5G47 R48 K53 R54 A55 F57 V131 L132 K134G47-M51 VanDerWaalsContact O-CB 3.25Å; G47-M51 WeakPolarHBondContact O-CB 3.29Å; G47-M51 VanDerWaalsContact O-CG 3.23Å; G47-M51 WeakPolarHBondContact O-CG 3.43Å; G47-M51 PolarHBondContact O-N 3.16Å; R48-M51 PolarHBondContact O-N 3.2Å; M51-K53 PolarHBondContact O-N 2.82Å; M51-K53 VanDerWaalsContact O-N 3.13Å; M51-R54 PolarHBondContact O-N 2.77Å; M51-R54 VanDerWaalsContact O-O 3.12Å; M51-R54 HydrophobicContact SD-CB 4.33Å; M51-A55 WeakPolarHBondContact CE-O 3.27Å; M51-F57 HydrophobicContact CE-CD2 3.77Å; M51-F57 HydrophobicContact CE-CE2 3.9Å; M51-F57 HydrophobicContact SD-CD2 4.13Å; M51-F57 HydrophobicContact SD-CE2 3.75Å; M51-V131 HydrophobicContact CG-CG1 4.07Å; M51-L132 WeakPolarHBondContact CE-O 3.29Å; M51-L132 HydrophobicContact CG-CD2 4.46Å; M51-L132 HydrophobicContact SD-CD2 3.98Å; M51-K134 HydrophobicContact CE-CG 4.07Å; M51-K134 WeakPolarHBondContact O-CE 3.2Å; M51-K134 PolarHBondContact O-NZ 2.94Å
52N88.5Confident92.4Very high115 Ų11591.4 Ų91.462%0.61545%0.449SS*.Hα-helixtrans-52.9-38.7176.6-72.6-18.2000112.3R48 H49 L50 K134R48-N52 PolarHBondContact O-N 2.93Å; R48-N52 PolarHBondContact O-OD1 3.22Å; H49-N52 WeakPolarHBondContact O-CB 3.46Å; H49-N52 PolarHBondContact O-N 3.16Å; L50-N52 PolarHBondContact O-N 3.07Å; N52-K134 PolarHBondContact O-NZ 2.6Å
53K91.3Very high92.4Very high183 Ų18389.4 Ų89.480%0.79643%0.429SS*.THydrogen-bonded Turntrans-85.8-5.4-179.9-59.7-177.3-178.4-179.80114.6L50 M51L50-K53 PolarHBondContact O-N 3.24Å; M51-K53 PolarHBondContact O-N 2.82Å; M51-K53 VanDerWaalsContact O-N 3.13Å
54R90.5Very high92.4Very high157 Ų15787.7 Ų87.759%0.59243%0.425SS*.SBendtrans-113.4158.8-174.6-64.3-172.7178.6-157.3-0.5112.6M51 K134M51-R54 PolarHBondContact O-N 2.77Å; M51-R54 VanDerWaalsContact O-O 3.12Å; M51-R54 HydrophobicContact SD-CB 4.33Å; R54-K134 WeakPolarHBondContact O-CE 3.34Å; R54-K134 PolarHBondContact O-NZ 3.24Å
55A90.5Very high92.5Very high81 Ų8193.1 Ų93.167%0.66945%0.453SS*.PPolyproline II helixtrans-68.9156.7169.500000111.2M51M51-A55 WeakPolarHBondContact CE-O 3.27Å
56K92.8Very high92.8Very high126 Ų12690.9 Ų90.955%0.54844%0.441SS..PPolyproline II helixtrans-66.2145.1173.564.6177-176.5165.30110.1E58 K134K56-E58 VanDerWaalsContact CE-OE1 3.27Å; K56-E58 WeakPolarHBondContact CE-OE1 3.45Å; K56-E58 IonicContact NZ-OE1 3.82Å; K56-E58 PolarHBondContact NZ-OE1 3.01Å; K56-K134 HydrophobicContact CB-CB 4.37Å; K56-K134 HydrophobicContact CB-CD 4.3Å; K56-K134 HydrophobicContact CB-CG 4.26Å
57F91.8Very high92.9Very high91 Ų9189.4 Ų89.440%0.39943%0.426SS..PPolyproline II helixtrans-89.3141.5172.8-69.1-85.8000111.8M51 L59 L132M51-F57 HydrophobicContact CE-CD2 3.77Å; M51-F57 HydrophobicContact CE-CE2 3.9Å; M51-F57 HydrophobicContact SD-CD2 4.13Å; M51-F57 HydrophobicContact SD-CE2 3.75Å; F57-L59 HydrophobicContact CB-CD1 4.03Å; F57-L59 HydrophobicContact CB-CD2 4.33Å; F57-L59 HydrophobicContact CB-CG 3.78Å; F57-L59 PolarHBondContact O-N 2.88Å; F57-L132 HydrophobicContact CD2-CB 4.16Å; F57-L132 HydrophobicContact CD2-CD2 4.19Å; F57-L132 HydrophobicContact CE2-CD2 4.25Å; F57-L132 PolarHBondContact N-O 3.4Å
58E91Very high93.2Very high131 Ų13193.1 Ų93.161%0.61244%0.443SS*.  trans-8974.7174.4-69.3-60.6148.300110.7K56 R60K56-E58 VanDerWaalsContact CE-OE1 3.27Å; K56-E58 WeakPolarHBondContact CE-OE1 3.45Å; K56-E58 IonicContact NZ-OE1 3.82Å; K56-E58 PolarHBondContact NZ-OE1 3.01Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 3.38Å
59L91.8Very high93.5Very high38 Ų3892.9 Ų92.920%0.19945%0.452CS..  trans-93.131.8-176.7-61172.7000113.3F57 P62 L63 F129 L132 R133F57-L59 HydrophobicContact CB-CD1 4.03Å; F57-L59 HydrophobicContact CB-CD2 4.33Å; F57-L59 HydrophobicContact CB-CG 3.78Å; F57-L59 PolarHBondContact O-N 2.88Å; L59-P62 WeakPolarHBondContact O-CD 3.42Å; L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 PolarHBondContact O-N 3.08Å; L59-F129 HydrophobicContact CB-CD1 4.05Å; L59-F129 HydrophobicContact CB-CE1 4.27Å; L59-F129 HydrophobicContact CD1-CD1 4.12Å; L59-F129 HydrophobicContact CD1-CE1 4.49Å; L59-L132 HydrophobicContact CD1-CB 3.64Å; L59-L132 HydrophobicContact CD1-CD1 3.68Å; L59-L132 HydrophobicContact CD1-CG 4.33Å; L59-R133 HydrophobicContact CB-CG 4.31Å
60R90.9Very high93.7Very high124 Ų12487.8 Ų87.847%0.46843%0.428SS..Hα-helixtrans-65.4-48.6-172.3-171.4172172.8-175.2-11.5112.8E58 L63 V64 A185 A186E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 3.38Å; R60-L63 PolarHBondContact O-N 3.18Å; R60-V64 WeakPolarHBondContact O-CG2 3.29Å; R60-V64 PolarHBondContact O-N 2.88Å; R60-A185 WeakPolarHBondContact CG-O 3.32Å; R60-A185 PolarHBondContact NE-O 3.4Å; R60-A186 VanDerWaalsContact NH2-C 3.35Å; R60-A186 PolarHBondContact NH2-O 3.23Å
61K93.4Very high94Very high184 Ų18482.6 Ų82.680%0.840%0.401SS*.Hα-helixtrans-63.7-48.2179.5-60.6179.3-179.5179.90112.2L63 V64 L65K61-L63 VanDerWaalsContact C-N 3.3Å; K61-L63 PolarHBondContact O-N 3.15Å; K61-V64 PolarHBondContact O-N 3.22Å; K61-L65 PolarHBondContact O-N 3.01Å; K61-L65 VanDerWaalsContact O-N 3.11Å
62P95.6Very high94.2Very high63 Ų6385.1 Ų85.141%0.40942%0.417SS..Hα-helixtrans-58-40.6173.6-26.736000113.1L59 V64 L65 W66 F129L59-P62 WeakPolarHBondContact O-CD 3.42Å; P62-V64 PolarHBondContact O-N 3.01Å; P62-L65 PolarHBondContact O-N 3.08Å; P62-W66 WeakPolarHBondContact O-CB 3.17Å; P62-W66 PolarHBondContact O-N 3.26Å; P62-F129 HydrophobicContact CB-CE1 3.97Å; P62-F129 HydrophobicContact CB-CZ 4.34Å
63L94.6Very high94.7Very high22 Ų2282 Ų8212%0.11540%0.398CS..Hα-helixtrans-63.7-39.8177.617962.9000112.4L59 R60 K61 W66 S67 F129 A185L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 PolarHBondContact O-N 3.08Å; R60-L63 PolarHBondContact O-N 3.18Å; K61-L63 VanDerWaalsContact C-N 3.3Å; K61-L63 PolarHBondContact O-N 3.15Å; L63-W66 PolarHBondContact O-N 2.88Å; L63-S67 WeakPolarHBondContact O-CB 3.43Å; L63-S67 PolarHBondContact O-N 3.39Å; L63-S67 PolarHBondContact O-OG 2.89Å; L63-F129 HydrophobicContact CB-CD1 4.17Å; L63-F129 HydrophobicContact CB-CE1 4.36Å; L63-F129 HydrophobicContact CD1-CB 4.01Å; L63-F129 HydrophobicContact CD1-CD1 4.27Å; L63-F129 HydrophobicContact CD1-CD2 4Å; L63-F129 HydrophobicContact CD1-CG 3.83Å; L63-A185 HydrophobicContact CD2-CB 4.08Å; L63-A185 HydrophobicContact CG-CB 4Å
64V96.1Very high95Very high36 Ų3673.3 Ų73.322%0.21836%0.361CS..Hα-helixtrans-60.4-51.4174.9172.70000110.5R60 K61 P62 W66 S67 L68 A185 A186R60-V64 WeakPolarHBondContact O-CG2 3.29Å; R60-V64 PolarHBondContact O-N 2.88Å; K61-V64 PolarHBondContact O-N 3.22Å; P62-V64 PolarHBondContact O-N 3.01Å; V64-W66 VanDerWaalsContact C-N 3.31Å; V64-W66 PolarHBondContact O-N 2.75Å; V64-S67 PolarHBondContact O-N 3.32Å; V64-L68 WeakPolarHBondContact O-CB 3.23Å; V64-L68 PolarHBondContact O-N 3.34Å; V64-A185 HydrophobicContact CB-CB 4.43Å; V64-A185 HydrophobicContact CG2-CB 3.48Å; V64-A185 VanDerWaalsContact CG2-CB 3.48Å; V64-A185 WeakPolarHBondContact CG2-O 3.36Å; V64-A186 HydrophobicContact CG1-CB 4.41Å; V64-A186 HydrophobicContact CG2-CB 4.19Å; V64-A186 VanDerWaalsContact CG2-N 3.32Å
65L96.9Very high95.3Very high114 Ų11469 Ų6960%0.59735%0.349SS*.Hα-helixtrans-61.9-42.4-178.9-179.261.3000111.4K61 P62 L68 T69K61-L65 PolarHBondContact O-N 3.01Å; K61-L65 VanDerWaalsContact O-N 3.11Å; P62-L65 PolarHBondContact O-N 3.08Å; L65-L68 PolarHBondContact O-N 2.91Å; L65-T69 WeakPolarHBondContact O-CB 3.29Å; L65-T69 PolarHBondContact O-N 2.81Å; L65-T69 PolarHBondContact O-OG1 3.05Å
66W97.4Very high95.6Very high70 Ų7069.9 Ų69.927%0.26534%0.338SS..Hα-helixtrans-60.2-55.6176.6178.5-96.6000112.1P62 L63 V64 L68 T69 L70 P122 D126 F129P62-W66 WeakPolarHBondContact O-CB 3.17Å; P62-W66 PolarHBondContact O-N 3.26Å; L63-W66 PolarHBondContact O-N 2.88Å; V64-W66 VanDerWaalsContact C-N 3.31Å; V64-W66 PolarHBondContact O-N 2.75Å; W66-L68 VanDerWaalsContact C-N 3.29Å; W66-L68 PolarHBondContact O-N 2.9Å; W66-T69 PolarHBondContact O-N 3.41Å; W66-L70 HydrophobicContact CZ2-CD1 4.08Å; W66-L70 PolarHBondContact O-N 3.25Å; W66-P122 HydrophobicContact CH2-CB 4.14Å; W66-P122 VanDerWaalsContact CH2-O 3.27Å; W66-P122 WeakPolarHBondContact CH2-O 3.44Å; W66-P122 WeakPolarHBondContact CZ2-O 3.21Å; W66-D126 PolarHBondContact NE1-OD1 3.04Å; W66-F129 HydrophobicContact CB-CE2 3.87Å; W66-F129 HydrophobicContact CB-CZ 4.04Å; W66-F129 AromaticContact CD1-CE2 3.67Å; W66-F129 AromaticContact CD2-CE2 3.81Å; W66-F129 HydrophobicContact CD2-CE2 3.81Å; W66-F129 HydrophobicContact CE3-CE2 4.46Å; W66-F129 HydrophobicContact CG-CD2 4.32Å; W66-F129 AromaticContact CG-CE2 3.49Å; W66-F129 HydrophobicContact CG-CE2 3.49Å; W66-F129 VanDerWaalsContact CG-CE2 3.49Å; W66-F129 HydrophobicContact CG-CZ 4.13Å
67S96.9Very high95.8Very high2 Ų263.9 Ų63.91%0.01431%0.312CS..Hα-helixtrans-62.6-36178.7-63.60000112.2L63 V64 A71L63-S67 WeakPolarHBondContact O-CB 3.43Å; L63-S67 PolarHBondContact O-N 3.39Å; L63-S67 PolarHBondContact O-OG 2.89Å; V64-S67 PolarHBondContact O-N 3.32Å; S67-A71 VanDerWaalsContact O-CB 3.29Å; S67-A71 WeakPolarHBondContact O-CB 3.31Å; S67-A71 PolarHBondContact O-N 3.39Å
68L97.3Very high96Very high88 Ų8860.2 Ų60.246%0.46130%0.298SS..Hα-helixtrans-66.3-41.3176.1-177.962.5000111.6V64 L65 W66 A71 V72 A182V64-L68 WeakPolarHBondContact O-CB 3.23Å; V64-L68 PolarHBondContact O-N 3.34Å; L65-L68 PolarHBondContact O-N 2.91Å; W66-L68 VanDerWaalsContact C-N 3.29Å; W66-L68 PolarHBondContact O-N 2.9Å; L68-A71 WeakPolarHBondContact O-CB 3.41Å; L68-A71 PolarHBondContact O-N 3.49Å; L68-V72 HydrophobicContact CD1-CG2 4.33Å; L68-V72 WeakPolarHBondContact O-CG2 3.38Å; L68-V72 PolarHBondContact O-N 2.94Å; L68-A182 HydrophobicContact CB-CB 4.27Å
69T97.8Very high96.2Very high82 Ų8259.2 Ų59.250%0.50330%0.296SS..Hα-helixtrans-61.5-47.1177.1-57.30000110.8L65 W66 A71 V72 F73L65-T69 WeakPolarHBondContact O-CB 3.29Å; L65-T69 PolarHBondContact O-N 2.81Å; L65-T69 PolarHBondContact O-OG1 3.05Å; W66-T69 PolarHBondContact O-N 3.41Å; T69-A71 VanDerWaalsContact C-N 3.32Å; T69-A71 PolarHBondContact O-N 3.49Å; T69-V72 PolarHBondContact O-N 3.44Å; T69-F73 VanDerWaalsContact O-CB 3.31Å; T69-F73 WeakPolarHBondContact O-CB 3.38Å; T69-F73 PolarHBondContact O-N 2.95Å
70L97.6Very high96.3Very high13 Ų1357.9 Ų57.97%0.06829%0.289CS..Hα-helixtrans-66-33.7176.6-67.7178.7000112.6W66 S74 E123 Y178W66-L70 HydrophobicContact CZ2-CD1 4.08Å; W66-L70 PolarHBondContact O-N 3.25Å; L70-S74 VanDerWaalsContact O-CB 3.23Å; L70-S74 WeakPolarHBondContact O-CB 3.24Å; L70-S74 PolarHBondContact O-N 3.07Å; L70-S74 PolarHBondContact O-OG 3.48Å; L70-E123 HydrophobicContact CD2-CG 4.48Å; L70-Y178 HydrophobicContact CB-CD1 3.85Å; L70-Y178 HydrophobicContact CB-CD2 3.75Å; L70-Y178 HydrophobicContact CB-CE1 4.09Å; L70-Y178 HydrophobicContact CB-CE2 3.96Å; L70-Y178 HydrophobicContact CB-CG 3.7Å; L70-Y178 HydrophobicContact CD1-CD1 4.03Å; L70-Y178 HydrophobicContact CD1-CE1 3.45Å; L70-Y178 VanDerWaalsContact CD1-CE1 3.45Å; L70-Y178 HydrophobicContact CD1-CE2 4.1Å; L70-Y178 HydrophobicContact CG-CE1 4.43Å
71A97.9Very high96.5Very high2 Ų252 Ų522%0.01727%0.266CS..Hα-helixtrans-63.9-52.3174.200000111.3S67 L68 T69 F73 S74 I75S67-A71 VanDerWaalsContact O-CB 3.29Å; S67-A71 WeakPolarHBondContact O-CB 3.31Å; S67-A71 PolarHBondContact O-N 3.39Å; L68-A71 WeakPolarHBondContact O-CB 3.41Å; L68-A71 PolarHBondContact O-N 3.49Å; T69-A71 VanDerWaalsContact C-N 3.32Å; T69-A71 PolarHBondContact O-N 3.49Å; A71-F73 PolarHBondContact O-N 3.41Å; A71-S74 PolarHBondContact O-N 2.82Å; A71-I75 WeakPolarHBondContact O-CB 3.3Å; A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.32Å; A71-I75 PolarHBondContact O-N 3.17Å
72V98.1Very high96.6Very high65 Ų6544 Ų4439%0.39424%0.236SC..Hα-helixtrans-59.4-49.2178.8171.80000110.5L68 T69 S74 I75 F76L68-V72 HydrophobicContact CD1-CG2 4.33Å; L68-V72 WeakPolarHBondContact O-CG2 3.38Å; L68-V72 PolarHBondContact O-N 2.94Å; T69-V72 PolarHBondContact O-N 3.44Å; V72-S74 VanDerWaalsContact C-N 3.29Å; V72-S74 PolarHBondContact O-N 2.9Å; V72-I75 PolarHBondContact O-N 2.75Å; V72-F76 HydrophobicContact CG1-CD2 3.71Å; V72-F76 HydrophobicContact CG1-CE2 3.68Å; V72-F76 VanDerWaalsContact O-CD2 3.3Å; V72-F76 WeakPolarHBondContact O-CD2 3.21Å; V72-F76 PolarHBondContact O-N 2.92Å
73F97.9Very high96.4Very high50 Ų5041.8 Ų41.822%0.21922%0.223CC..Hα-helixtrans-53.7-47.3175.4172.3-106.9000111.9T69 A71 G77 W112 A115 S119 Y171T69-F73 VanDerWaalsContact O-CB 3.31Å; T69-F73 WeakPolarHBondContact O-CB 3.38Å; T69-F73 PolarHBondContact O-N 2.95Å; A71-F73 PolarHBondContact O-N 3.41Å; F73-G77 PolarHBondContact O-N 3.5Å; F73-W112 HydrophobicContact CD2-CZ3 4.18Å; F73-W112 HydrophobicContact CE2-CE3 4.49Å; F73-W112 HydrophobicContact CE2-CZ3 4.12Å; F73-A115 HydrophobicContact CE2-CB 3.93Å; F73-A115 HydrophobicContact CZ-CB 4.02Å; F73-S119 VanDerWaalsContact CE1-CB 3.41Å; F73-Y171 HydrophobicContact CD1-CE1 4.12Å; F73-Y171 AromaticContact CE1-CE1 3.56Å; F73-Y171 HydrophobicContact CE1-CE1 3.56Å; F73-Y171 AromaticContact CZ-CE1 3.9Å; F73-Y171 HydrophobicContact CZ-CE1 3.9Å; F73-Y171 VanDerWaalsContact CZ-OH 3.26Å; F73-Y171 WeakPolarHBondContact CZ-OH 3.26Å
74S97.9Very high96.4Very high1 Ų141.8 Ų41.81%0.00722%0.222CC..Hα-helixtrans-71.1-33.4-178.1-58.70000113.1L70 A71 V72 A78L70-S74 VanDerWaalsContact O-CB 3.23Å; L70-S74 WeakPolarHBondContact O-CB 3.24Å; L70-S74 PolarHBondContact O-N 3.07Å; L70-S74 PolarHBondContact O-OG 3.48Å; A71-S74 PolarHBondContact O-N 2.82Å; V72-S74 VanDerWaalsContact C-N 3.29Å; V72-S74 PolarHBondContact O-N 2.9Å; S74-A78 VanDerWaalsContact O-CB 3.22Å; S74-A78 WeakPolarHBondContact O-CB 3.3Å; S74-A78 PolarHBondContact O-N 2.79Å
75I97.9Very high96.3Very high67 Ų6740.4 Ų40.434%0.34421%0.213SC..Hα-helixtrans-64.3-50.3175.3-71.2162.5000110.1A71 V72 A78 L79 A175A71-I75 WeakPolarHBondContact O-CB 3.3Å; A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.32Å; A71-I75 PolarHBondContact O-N 3.17Å; V72-I75 PolarHBondContact O-N 2.75Å; I75-A78 PolarHBondContact O-N 2.83Å; I75-L79 HydrophobicContact CG2-CD1 3.97Å; I75-L79 HydrophobicContact CG2-CG 4.5Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.43Å; I75-L79 PolarHBondContact O-N 3.39Å; I75-A175 HydrophobicContact CB-CB 4.48Å; I75-A175 HydrophobicContact CG1-CB 3.7Å
76F96.3Very high96.1Very high99 Ų9938.4 Ų38.443%0.43421%0.206SC..Hα-helixtrans-63.1-44.2177.7-79.6-76.5000111.4V72 A78 L79 R80 W112V72-F76 HydrophobicContact CG1-CD2 3.71Å; V72-F76 HydrophobicContact CG1-CE2 3.68Å; V72-F76 VanDerWaalsContact O-CD2 3.3Å; V72-F76 WeakPolarHBondContact O-CD2 3.21Å; V72-F76 PolarHBondContact O-N 2.92Å; F76-A78 PolarHBondContact O-N 3.44Å; F76-L79 PolarHBondContact O-N 2.97Å; F76-R80 WeakPolarHBondContact O-CB 3.46Å; F76-R80 VanDerWaalsContact O-CG 3.23Å; F76-R80 WeakPolarHBondContact O-CG 3.24Å; F76-R80 PolarHBondContact O-N 2.59Å; F76-W112 HydrophobicContact CB-CH2 3.37Å; F76-W112 HydrophobicContact CB-CZ2 3.96Å; F76-W112 HydrophobicContact CB-CZ3 4.02Å; F76-W112 HydrophobicContact CG-CH2 4.44Å
77G96.4Very high95.9Very high0 Ų040.3 Ų40.30%021%0.214CC..Hα-helixtrans-55.3-49.6173.700000112.4F73 L79 R80 T81F73-G77 PolarHBondContact O-N 3.5Å; G77-L79 PolarHBondContact O-N 2.87Å; G77-R80 PolarHBondContact O-N 3.42Å; G77-T81 WeakPolarHBondContact O-CB 3.5Å; G77-T81 WeakPolarHBondContact O-CG2 3.44Å; G77-T81 PolarHBondContact O-N 3.48Å; G77-T81 PolarHBondContact O-OG1 3.49Å
78A97Very high95.7Very high14 Ų1440.4 Ų40.412%0.11621%0.214CC..Hα-helixtrans-61.4-41.7179.500000112.9S74 I75 F76 G82S74-A78 VanDerWaalsContact O-CB 3.22Å; S74-A78 WeakPolarHBondContact O-CB 3.3Å; S74-A78 PolarHBondContact O-N 2.79Å; I75-A78 PolarHBondContact O-N 2.83Å; F76-A78 PolarHBondContact O-N 3.44Å; A78-G82 WeakPolarHBondContact O-CA 3.38Å; A78-G82 PolarHBondContact O-N 3.1Å
79L95.3Very high95.5Very high110 Ų11039.2 Ų39.258%0.57621%0.207SC*.Hα-helixtrans-66.6-45.4179.1-71.4172.8000111.5I75 F76 G77 A83I75-L79 HydrophobicContact CG2-CD1 3.97Å; I75-L79 HydrophobicContact CG2-CG 4.5Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.43Å; I75-L79 PolarHBondContact O-N 3.39Å; F76-L79 PolarHBondContact O-N 2.97Å; G77-L79 PolarHBondContact O-N 2.87Å; L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.24Å; L79-A83 PolarHBondContact O-N 2.94Å
80R93.3Very high95.3Very high10 Ų1042.8 Ų42.84%0.03822%0.221CC..Hα-helixtrans-72.5-50.1-176-62.2-62.2-72.3174.4-1.2111.6T7 Q9 E14 F76 G77 Y84 V108 W112T7-R80 PolarHBondContact O-NH1 2.99Å; Q9-R80 PolarHBondContact O-NH1 2.67Å; Q9-R80 PolarHBondContact O-NH2 3.28Å; E14-R80 IonicContact OE1-CZ 2.75Å; E14-R80 IonicContact OE1-NE 3.53Å; E14-R80 PolarHBondContact OE1-NE 2.85Å; E14-R80 IonicContact OE1-NH2 3.79Å; E14-R80 PolarHBondContact OE1-NH2 3.47Å; E14-R80 IonicContact OE2-CZ 2.96Å; E14-R80 IonicContact OE2-NE 3.93Å; E14-R80 IonicContact OE2-NH2 2.83Å; E14-R80 PolarHBondContact OE2-NH2 3.29Å; F76-R80 WeakPolarHBondContact O-CB 3.46Å; F76-R80 VanDerWaalsContact O-CG 3.23Å; F76-R80 WeakPolarHBondContact O-CG 3.24Å; F76-R80 PolarHBondContact O-N 2.59Å; G77-R80 PolarHBondContact O-N 3.42Å; R80-Y84 PolarHBondContact O-N 3.1Å; R80-V108 HydrophobicContact CB-CG1 3.83Å; R80-V108 HydrophobicContact CG-CG1 4.48Å; R80-V108 VanDerWaalsContact NE-CG1 3.33Å; R80-W112 HydrophobicContact CB-CD2 4.36Å; R80-W112 HydrophobicContact CB-CG 4.18Å; R80-W112 HydrophobicContact CG-CZ2 4Å
81T95.4Very high95Very high0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-71.1-34.8177.972.40000111.4G77 Y84 M85 F103 W112 T168 Y171G77-T81 WeakPolarHBondContact O-CB 3.5Å; G77-T81 WeakPolarHBondContact O-CG2 3.44Å; G77-T81 PolarHBondContact O-N 3.48Å; G77-T81 PolarHBondContact O-OG1 3.49Å; T81-Y84 PolarHBondContact O-N 2.86Å; T81-M85 VanDerWaalsContact O-CG 3.27Å; T81-M85 WeakPolarHBondContact O-CG 3.31Å; T81-M85 PolarHBondContact O-N 3.32Å; T81-F103 HydrophobicContact CG2-CE2 4.2Å; T81-F103 HydrophobicContact CG2-CZ 3.68Å; T81-W112 HydrophobicContact CG2-CB 3.59Å; T81-W112 HydrophobicContact CG2-CG 4.33Å; T81-T168 VanDerWaalsContact CB-OG1 3.26Å; T81-T168 WeakPolarHBondContact CB-OG1 3.49Å; T81-T168 WeakPolarHBondContact OG1-CB 3.29Å; T81-T168 PolarHBondContact OG1-OG1 3.17Å; T81-Y171 HydrophobicContact CG2-CD2 4.25Å; T81-Y171 HydrophobicContact CG2-CE2 4.22Å
82G94.6Very high94.7Very high16 Ų1651.9 Ų51.917%0.16527%0.266CS..Hα-helixtrans-61.8-44.5174.800000113A78 Y84 M85 V86A78-G82 WeakPolarHBondContact O-CA 3.38Å; A78-G82 PolarHBondContact O-N 3.1Å; G82-Y84 VanDerWaalsContact C-N 3.33Å; G82-Y84 PolarHBondContact O-N 3.46Å; G82-M85 PolarHBondContact O-N 3.13Å; G82-V86 WeakPolarHBondContact O-CB 3.49Å; G82-V86 VanDerWaalsContact O-CG2 3.29Å; G82-V86 WeakPolarHBondContact O-CG2 3.44Å; G82-V86 PolarHBondContact O-N 3.47Å
83A92.7Very high94.5Very high17 Ų1750.1 Ų50.114%0.1426%0.261CS..Hα-helixtrans-59.7-43.7175.600000111.9L79 Y87L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.24Å; L79-A83 PolarHBondContact O-N 2.94Å; A83-Y87 WeakPolarHBondContact O-CB 3.22Å; A83-Y87 PolarHBondContact O-N 3.12Å
84Y92.8Very high94.3Very high22 Ų2251.7 Ų51.79%0.08627%0.272CS..Hα-helixtrans-61.6-48.3175.4-176.6-89000112.3R80 T81 G82 V86 Y87 I88 D100 G102 F103R80-Y84 PolarHBondContact O-N 3.1Å; T81-Y84 PolarHBondContact O-N 2.86Å; G82-Y84 VanDerWaalsContact C-N 3.33Å; G82-Y84 PolarHBondContact O-N 3.46Å; Y84-V86 PolarHBondContact O-N 2.89Å; Y84-Y87 WeakPolarHBondContact O-CB 3.5Å; Y84-Y87 PolarHBondContact O-N 3.28Å; Y84-I88 HydrophobicContact CD1-CD1 4.12Å; Y84-I88 HydrophobicContact CD1-CG1 4.47Å; Y84-I88 HydrophobicContact CE1-CD1 3.3Å; Y84-I88 HydrophobicContact CE1-CG1 4.1Å; Y84-I88 HydrophobicContact CE2-CD1 4.26Å; Y84-I88 VanDerWaalsContact CZ-CD1 3.41Å; Y84-I88 PolarHBondContact O-N 3.4Å; Y84-I88 WeakPolarHBondContact OH-CD1 3.46Å; Y84-D100 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D100 PolarHBondContact OH-OD2 3.35Å; Y84-D100 VanDerWaalsContact OH-OD2 3.12Å; Y84-G102 PolarHBondContact OH-O 3.01Å; Y84-F103 AromaticContact CD1-CD2 3.63Å; Y84-F103 HydrophobicContact CD1-CD2 3.63Å; Y84-F103 HydrophobicContact CD1-CE2 4.2Å; Y84-F103 HydrophobicContact CE1-CB 4.13Å; Y84-F103 AromaticContact CE1-CD2 3.76Å; Y84-F103 HydrophobicContact CE1-CD2 3.76Å; Y84-F103 HydrophobicContact CE1-CG 4.41Å; Y84-F103 PolarHBondContact OH-N 2.96Å
85M94.6Very high94.1Very high6 Ų655.4 Ų55.43%0.0329%0.288CS..Hα-helixtrans-63.6-41.6-179.7-70-53.8-61.300112.1T81 G82 Y87 I88 L89 F103 W165 T168T81-M85 VanDerWaalsContact O-CG 3.27Å; T81-M85 WeakPolarHBondContact O-CG 3.31Å; T81-M85 PolarHBondContact O-N 3.32Å; G82-M85 PolarHBondContact O-N 3.13Å; M85-Y87 VanDerWaalsContact C-N 3.35Å; M85-I88 PolarHBondContact O-N 2.86Å; M85-L89 WeakPolarHBondContact O-CB 3.3Å; M85-L89 PolarHBondContact O-N 3.44Å; M85-F103 HydrophobicContact CG-CE2 4.22Å; M85-F103 HydrophobicContact SD-CD2 3.74Å; M85-F103 HydrophobicContact SD-CE2 3.95Å; M85-W165 HydrophobicContact CE-CB 4.48Å; M85-W165 HydrophobicContact CE-CD2 3.76Å; M85-W165 HydrophobicContact CE-CG 3.65Å; M85-W165 HydrophobicContact CE-CZ2 4.28Å; M85-W165 VanDerWaalsContact CE-NE1 3.29Å; M85-T168 HydrophobicContact CG-CG2 4.24Å; M85-T168 WeakPolarHBondContact CG-OG1 3.36Å
86V93.8Very high93.8Very high73 Ų7356.2 Ų56.244%0.44229%0.29SS..Hα-helixtrans-63.4-42.6175.4170.20000110.7G82 Y84 L89 M90G82-V86 WeakPolarHBondContact O-CB 3.49Å; G82-V86 VanDerWaalsContact O-CG2 3.29Å; G82-V86 WeakPolarHBondContact O-CG2 3.44Å; G82-V86 PolarHBondContact O-N 3.47Å; Y84-V86 PolarHBondContact O-N 2.89Å; V86-L89 PolarHBondContact O-N 2.96Å; V86-M90 HydrophobicContact CG1-CE 4.29Å; V86-M90 HydrophobicContact CG1-CG 4.3Å; V86-M90 HydrophobicContact CG1-SD 3.84Å; V86-M90 WeakPolarHBondContact O-CB 3.44Å; V86-M90 WeakPolarHBondContact O-CG 3.43Å; V86-M90 PolarHBondContact O-N 2.88Å
87Y91.9Very high93.7Very high110 Ų11051.7 Ų51.743%0.43127%0.27SS..Hα-helixtrans-59.7-50.3177.1172.3-97.7000112.1L8 A83 Y84 M85 L89 M90 T91L8-Y87 HydrophobicContact CD1-CD1 4.42Å; L8-Y87 HydrophobicContact CD1-CD2 3.71Å; L8-Y87 HydrophobicContact CD1-CE2 4.36Å; L8-Y87 HydrophobicContact CD1-CG 3.74Å; A83-Y87 WeakPolarHBondContact O-CB 3.22Å; A83-Y87 PolarHBondContact O-N 3.12Å; Y84-Y87 WeakPolarHBondContact O-CB 3.5Å; Y84-Y87 PolarHBondContact O-N 3.28Å; M85-Y87 VanDerWaalsContact C-N 3.35Å; Y87-L89 PolarHBondContact O-N 2.89Å; Y87-M90 PolarHBondContact O-N 3.34Å; Y87-T91 HydrophobicContact CD2-CG2 4.03Å; Y87-T91 HydrophobicContact CE2-CG2 3.76Å; Y87-T91 WeakPolarHBondContact O-CB 2.99Å; Y87-T91 WeakPolarHBondContact O-CG2 3.23Å; Y87-T91 PolarHBondContact O-N 3.45Å; Y87-T91 PolarHBondContact O-OG1 3.28Å
88I92.3Very high93.7Very high4 Ų451.7 Ų51.72%0.02127%0.27CS..Hα-helixtrans-65.6-40.5178.6-67.2-165.3000111.3Y84 M85 M90 T91 K92 G93 D100Y84-I88 HydrophobicContact CD1-CD1 4.12Å; Y84-I88 HydrophobicContact CD1-CG1 4.47Å; Y84-I88 HydrophobicContact CE1-CD1 3.3Å; Y84-I88 HydrophobicContact CE1-CG1 4.1Å; Y84-I88 HydrophobicContact CE2-CD1 4.26Å; Y84-I88 VanDerWaalsContact CZ-CD1 3.41Å; Y84-I88 PolarHBondContact O-N 3.4Å; Y84-I88 WeakPolarHBondContact OH-CD1 3.46Å; M85-I88 PolarHBondContact O-N 2.86Å; I88-M90 VanDerWaalsContact C-N 3.34Å; I88-M90 PolarHBondContact O-N 3.34Å; I88-T91 PolarHBondContact O-N 3Å; I88-K92 HydrophobicContact CG2-CB 4.28Å; I88-K92 HydrophobicContact CG2-CD 4.44Å; I88-K92 WeakPolarHBondContact O-CA 3.38Å; I88-K92 PolarHBondContact O-N 3.15Å; I88-G93 PolarHBondContact O-N 3.33Å; I88-D100 HydrophobicContact CD1-CB 4.37Å; I88-D100 WeakPolarHBondContact CD1-OD2 3.27Å
89L94Very high93.5Very high62 Ų6251.8 Ų51.833%0.32527%0.27SS..Hα-helixtrans-61-43.2178-178.862.3000111.8M85 V86 Y87 G93 L94 W165M85-L89 WeakPolarHBondContact O-CB 3.3Å; M85-L89 PolarHBondContact O-N 3.44Å; V86-L89 PolarHBondContact O-N 2.96Å; Y87-L89 PolarHBondContact O-N 2.89Å; L89-G93 WeakPolarHBondContact O-CA 3.31Å; L89-G93 PolarHBondContact O-N 3.18Å; L89-G93 VanDerWaalsContact O-N 3.14Å; L89-L94 HydrophobicContact CD1-CB 4.07Å; L89-L94 HydrophobicContact CD1-CD1 3.98Å; L89-W165 HydrophobicContact CD1-CZ2 4.39Å; L89-W165 HydrophobicContact CD2-CH2 4.05Å; L89-W165 HydrophobicContact CD2-CZ2 4.16Å
90M93.3Very high93.4Very high158 Ų15847.3 Ų47.378%0.77825%0.247SC*.Hα-helixtrans-74.9-31.9-179.5-73.4-175.1157.100113.5V86 Y87 I88V86-M90 HydrophobicContact CG1-CE 4.29Å; V86-M90 HydrophobicContact CG1-CG 4.3Å; V86-M90 HydrophobicContact CG1-SD 3.84Å; V86-M90 WeakPolarHBondContact O-CB 3.44Å; V86-M90 WeakPolarHBondContact O-CG 3.43Å; V86-M90 PolarHBondContact O-N 2.88Å; Y87-M90 PolarHBondContact O-N 3.34Å; I88-M90 VanDerWaalsContact C-N 3.34Å; I88-M90 PolarHBondContact O-N 3.34Å
91T91.7Very high93.3Very high81 Ų8149.7 Ų49.750%0.49726%0.258SS..Hα-helixtrans-94.5-37-174.655.20000113.6Y87 I88Y87-T91 HydrophobicContact CD2-CG2 4.03Å; Y87-T91 HydrophobicContact CE2-CG2 3.76Å; Y87-T91 WeakPolarHBondContact O-CB 2.99Å; Y87-T91 WeakPolarHBondContact O-CG2 3.23Å; Y87-T91 PolarHBondContact O-N 3.45Å; Y87-T91 PolarHBondContact O-OG1 3.28Å; I88-T91 PolarHBondContact O-N 3Å
92K91.2Very high93Very high124 Ų12451 Ų5154%0.53927%0.271SS..Hα-helixtrans-116.4-6.6-174.4-52.6-169.6-175.8179.10113.8I88 Q96I88-K92 HydrophobicContact CG2-CB 4.28Å; I88-K92 HydrophobicContact CG2-CD 4.44Å; I88-K92 WeakPolarHBondContact O-CA 3.38Å; I88-K92 PolarHBondContact O-N 3.15Å; K92-Q96 HydrophobicContact CB-CB 3.63Å; K92-Q96 HydrophobicContact CB-CG 3.72Å; K92-Q96 HydrophobicContact CD-CG 3.72Å; K92-Q96 HydrophobicContact CG-CG 4.37Å; K92-Q96 WeakPolarHBondContact O-CB 3.34Å
93G94Very high93Very high29 Ų2950.2 Ų50.230%0.29926%0.264SS..Hα-helixtrans82.5175.6177.700000114.6I88 L89 S97I88-G93 PolarHBondContact O-N 3.33Å; L89-G93 WeakPolarHBondContact O-CA 3.31Å; L89-G93 PolarHBondContact O-N 3.18Å; L89-G93 VanDerWaalsContact O-N 3.14Å; G93-S97 PolarHBondContact O-N 3.36Å
94L94Very high92.9Very high83 Ų8349.4 Ų49.444%0.43526%0.257SS..Hα-helixtrans-61.9-48.8-172.1-178.165.4000112.7L89 Q96 S97 V98 W165 L215 W219L89-L94 HydrophobicContact CD1-CB 4.07Å; L89-L94 HydrophobicContact CD1-CD1 3.98Å; L94-Q96 VanDerWaalsContact C-N 3.34Å; L94-Q96 PolarHBondContact O-N 3.35Å; L94-S97 PolarHBondContact O-N 3.34Å; L94-S97 VanDerWaalsContact O-N 3.12Å; L94-S97 PolarHBondContact O-OG 3.34Å; L94-V98 HydrophobicContact CD1-CG2 4.17Å; L94-V98 HydrophobicContact CG-CG2 4.47Å; L94-V98 WeakPolarHBondContact O-CG2 3.39Å; L94-V98 PolarHBondContact O-N 3.49Å; L94-W165 HydrophobicContact CD1-CZ2 4.31Å; L94-L215 HydrophobicContact CD2-CD1 4.32Å; L94-W219 HydrophobicContact CD2-CH2 4.41Å; L94-W219 HydrophobicContact CG-CH2 4.18Å
95K93.4Very high92.9Very high79 Ų7951.5 Ų51.534%0.34327%0.27SS..Hα-helixtrans-54-51.5-179177.8-177171.2-165.20111.6S97 V98 C99 W219K95-S97 VanDerWaalsContact C-N 3.34Å; K95-S97 PolarHBondContact O-N 3.15Å; K95-V98 PolarHBondContact O-N 3.12Å; K95-C99 PolarHBondContact O-N 3.43Å; K95-W219 VanDerWaalsContact CA-CH2 3.46Å; K95-W219 HydrophobicContact CB-CD2 4.37Å; K95-W219 HydrophobicContact CB-CE3 4.49Å; K95-W219 HydrophobicContact CB-CH2 3.96Å; K95-W219 HydrophobicContact CB-CZ2 3.78Å; K95-W219 HydrophobicContact CB-CZ3 4.32Å; K95-W219 HydrophobicContact CG-CD2 3.83Å; K95-W219 HydrophobicContact CG-CE3 4.16Å; K95-W219 HydrophobicContact CG-CG 4.25Å; K95-W219 HydrophobicContact CG-CH2 4.46Å; K95-W219 HydrophobicContact CG-CZ2 4.12Å; K95-W219 HydrophobicContact CG-CZ3 4.48Å
96Q92.5Very high92.5Very high83 Ų8351.5 Ų51.539%0.38827%0.271SS..Hα-helixtrans-65.5-39.9179.6-165.864.726.500111.3K92 L94 V98 C99 D100K92-Q96 HydrophobicContact CB-CB 3.63Å; K92-Q96 HydrophobicContact CB-CG 3.72Å; K92-Q96 HydrophobicContact CD-CG 3.72Å; K92-Q96 HydrophobicContact CG-CG 4.37Å; K92-Q96 WeakPolarHBondContact O-CB 3.34Å; L94-Q96 VanDerWaalsContact C-N 3.34Å; L94-Q96 PolarHBondContact O-N 3.35Å; Q96-V98 VanDerWaalsContact C-N 3.25Å; Q96-V98 PolarHBondContact O-N 3.04Å; Q96-C99 PolarHBondContact O-N 2.64Å; Q96-D100 VanDerWaalsContact O-CB 3.24Å; Q96-D100 WeakPolarHBondContact O-CB 3.27Å; Q96-D100 PolarHBondContact O-N 3.09Å
97S94.4Very high92Very high4 Ų450.9 Ų50.93%0.02827%0.269CS..Hα-helixtrans-61.6-31.4177.778.50000114G93 L94 K95 W165G93-S97 PolarHBondContact O-N 3.36Å; L94-S97 PolarHBondContact O-N 3.34Å; L94-S97 VanDerWaalsContact O-N 3.12Å; L94-S97 PolarHBondContact O-OG 3.34Å; K95-S97 VanDerWaalsContact C-N 3.34Å; K95-S97 PolarHBondContact O-N 3.15Å; S97-W165 PolarHBondContact OG-NE1 3.41Å; S97-W165 VanDerWaalsContact OG-NE1 3.14Å
98V95Very high91.9Very high0 Ų045.7 Ų45.70%025%0.248CC..Hα-helixtrans-81.1-41178.7171.50000110.8L94 K95 Q96 D100 G162 I212 L215 V216 W219L94-V98 HydrophobicContact CD1-CG2 4.17Å; L94-V98 HydrophobicContact CG-CG2 4.47Å; L94-V98 WeakPolarHBondContact O-CG2 3.39Å; L94-V98 PolarHBondContact O-N 3.49Å; K95-V98 PolarHBondContact O-N 3.12Å; Q96-V98 VanDerWaalsContact C-N 3.25Å; Q96-V98 PolarHBondContact O-N 3.04Å; V98-D100 PolarHBondContact O-N 3.02Å; V98-G162 WeakPolarHBondContact O-CA 3.34Å; V98-G162 PolarHBondContact O-N 3.25Å; V98-I212 HydrophobicContact CG1-CG2 4.27Å; V98-I212 HydrophobicContact CG2-CD1 3.85Å; V98-L215 HydrophobicContact CG1-CB 4.39Å; V98-L215 HydrophobicContact CG2-CD1 4.48Å; V98-V216 HydrophobicContact CG1-CG2 3.45Å; V98-V216 VanDerWaalsContact CG1-CG2 3.45Å; V98-W219 HydrophobicContact CB-CE3 4.19Å; V98-W219 HydrophobicContact CB-CZ3 3.57Å; V98-W219 HydrophobicContact CG1-CE3 4.07Å; V98-W219 HydrophobicContact CG1-CZ3 3.76Å; V98-W219 HydrophobicContact CG2-CH2 4.49Å; V98-W219 HydrophobicContact CG2-CZ3 3.84Å
99C93.6Very high91.9Very high16 Ų1645.5 Ų45.511%0.10825%0.247CC..Hα-helixtrans-84.75.7179.8-64.90000113.9K95 Q96 Q101 C225K95-C99 PolarHBondContact O-N 3.43Å; Q96-C99 PolarHBondContact O-N 2.64Å; C99-Q101 PolarHBondContact O-N 3.24Å; C99-Q101 VanDerWaalsContact O-N 3.1Å; C99-C225 VanDerWaalsContact CA-SG 3.53Å; C99-C225 HydrophobicContact CB-CB 3.99Å; C99-C225 WeakPolarHBondContact CB-SG 3.47Å; C99-C225 WeakPolarHBondContact SG-CB 3.24Å; C99-C225 CovalentContact SG-SG 2.04Å; C99-C225 PolarHBondContact SG-SG 2.9Å
100D91.9Very high91.9Very high16 Ų1643.4 Ų43.49%0.08624%0.236CC..  trans-74.6101.8-176.2-174.453.1000112Y84 I88 Q96 V98 G102 F103Y84-D100 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D100 PolarHBondContact OH-OD2 3.35Å; Y84-D100 VanDerWaalsContact OH-OD2 3.12Å; I88-D100 HydrophobicContact CD1-CB 4.37Å; I88-D100 WeakPolarHBondContact CD1-OD2 3.27Å; Q96-D100 VanDerWaalsContact O-CB 3.24Å; Q96-D100 WeakPolarHBondContact O-CB 3.27Å; Q96-D100 PolarHBondContact O-N 3.09Å; V98-D100 PolarHBondContact O-N 3.02Å; D100-G102 WeakPolarHBondContact OD1-CA 3.34Å; D100-G102 PolarHBondContact OD1-N 3.21Å; D100-G102 VanDerWaalsContact OD1-N 3.11Å; D100-F103 PolarHBondContact OD2-N 3.43Å
101Q91.8Very high92Very high60 Ų6038.5 Ų38.528%0.2821%0.21SC..G310 helixtrans-78.3-11.7164.6-59.3-173.9-61.200111.7C99 F103 Y104 M159C99-Q101 PolarHBondContact O-N 3.24Å; C99-Q101 VanDerWaalsContact O-N 3.1Å; Q101-F103 PolarHBondContact O-N 2.75Å; Q101-F103 VanDerWaalsContact O-N 3.15Å; Q101-Y104 WeakPolarHBondContact O-CD2 3.32Å; Q101-Y104 PolarHBondContact O-N 3.39Å; Q101-M159 WeakPolarHBondContact CG-O 3.49Å; Q101-M159 PolarHBondContact NE2-O 2.87Å
102G90.5Very high92.2Very high27 Ų2735.4 Ų35.428%0.27819%0.189SC..G310 helixtrans-57.6-24.7173.200000112.9Y84 D100 Y104 N105 G106Y84-G102 PolarHBondContact OH-O 3.01Å; D100-G102 WeakPolarHBondContact OD1-CA 3.34Å; D100-G102 PolarHBondContact OD1-N 3.21Å; D100-G102 VanDerWaalsContact OD1-N 3.11Å; G102-Y104 PolarHBondContact O-N 3.11Å; G102-Y104 VanDerWaalsContact O-N 3.14Å; G102-N105 CarbonylContact O-C 3.47Å; G102-N105 PolarHBondContact O-N 2.96Å; G102-G106 WeakPolarHBondContact O-CA 3.25Å; G102-G106 PolarHBondContact O-N 3.27Å
103F92.8Very high92.5Very high0 Ų029.5 Ų29.50%016%0.163CC..G310 helixtrans-51.7-35174-172.2-92.3000113.9T81 Y84 M85 D100 Q101 S109 A113 M167T81-F103 HydrophobicContact CG2-CE2 4.2Å; T81-F103 HydrophobicContact CG2-CZ 3.68Å; Y84-F103 AromaticContact CD1-CD2 3.63Å; Y84-F103 HydrophobicContact CD1-CD2 3.63Å; Y84-F103 HydrophobicContact CD1-CE2 4.2Å; Y84-F103 HydrophobicContact CE1-CB 4.13Å; Y84-F103 AromaticContact CE1-CD2 3.76Å; Y84-F103 HydrophobicContact CE1-CD2 3.76Å; Y84-F103 HydrophobicContact CE1-CG 4.41Å; Y84-F103 PolarHBondContact OH-N 2.96Å; M85-F103 HydrophobicContact CG-CE2 4.22Å; M85-F103 HydrophobicContact SD-CD2 3.74Å; M85-F103 HydrophobicContact SD-CE2 3.95Å; D100-F103 PolarHBondContact OD2-N 3.43Å; Q101-F103 PolarHBondContact O-N 2.75Å; Q101-F103 VanDerWaalsContact O-N 3.15Å; F103-S109 CarbonylContact O-C 3.55Å; F103-S109 WeakPolarHBondContact O-CB 3.13Å; F103-S109 PolarHBondContact O-OG 3.09Å; F103-A113 HydrophobicContact CD1-CB 4.04Å; F103-A113 HydrophobicContact CE1-CB 3.72Å; F103-M167 HydrophobicContact CD1-SD 4.38Å; F103-M167 HydrophobicContact CE1-CB 4.36Å; F103-M167 HydrophobicContact CE1-SD 3.65Å; F103-M167 HydrophobicContact CZ-CB 4.42Å
104Y92.4Very high92.6Very high0 Ų030 Ų300%016%0.156CC..G310 helixtrans-77.9-22.9-178.1-63.2-89.2000113.5Q101 G102 K110 A113 Y156 M159 V160 M167Q101-Y104 WeakPolarHBondContact O-CD2 3.32Å; Q101-Y104 PolarHBondContact O-N 3.39Å; G102-Y104 PolarHBondContact O-N 3.11Å; G102-Y104 VanDerWaalsContact O-N 3.14Å; Y104-K110 WeakPolarHBondContact O-CA 3.24Å; Y104-K110 WeakPolarHBondContact O-CB 3.48Å; Y104-A113 HydrophobicContact CD1-CB 4.26Å; Y104-Y156 AromaticContact CD1-CD2 3.69Å; Y104-Y156 HydrophobicContact CD1-CD2 3.69Å; Y104-Y156 AromaticContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CG 4.41Å; Y104-Y156 AromaticContact CE1-CD2 3.59Å; Y104-Y156 HydrophobicContact CE1-CD2 3.59Å; Y104-Y156 AromaticContact CE1-CE2 4Å; Y104-Y156 HydrophobicContact CE1-CE2 4Å; Y104-Y156 HydrophobicContact CE1-CG 4.2Å; Y104-M159 HydrophobicContact CD1-CB 4.5Å; Y104-M159 HydrophobicContact CD1-CG 4.2Å; Y104-M159 HydrophobicContact CD2-CB 3.71Å; Y104-M159 HydrophobicContact CD2-CG 4.09Å; Y104-M159 VanDerWaalsContact CE2-C 3.43Å; Y104-M159 HydrophobicContact CE2-CB 3.91Å; Y104-M159 HydrophobicContact CG-CB 4.03Å; Y104-M159 HydrophobicContact CG-CG 3.88Å; Y104-V160 PolarHBondContact OH-N 3.13Å; Y104-V160 PolarHBondContact OH-O 3.45Å; Y104-M167 HydrophobicContact CE1-CE 3.75Å
105N91.4Very high92.8Very high67 Ų6726.7 Ų26.736%0.35814%0.142SC..THydrogen-bonded Turntrans-119.15.5-177-56.2-37.8000112.3E19 I23 G102E19-N105 HydrophobicContact CG-CB 4.29Å; E19-N105 WeakPolarHBondContact CG-OD1 3.19Å; I23-N105 VanDerWaalsContact CD1-OD1 3.3Å; I23-N105 WeakPolarHBondContact CD1-OD1 3.37Å; G102-N105 CarbonylContact O-C 3.47Å; G102-N105 PolarHBondContact O-N 2.96Å
106G86.4Confident93Very high5 Ų523.6 Ų23.65%0.05213%0.128CC..  trans-70.6146.7-176.400000111G102 V108 S109 K110G102-G106 WeakPolarHBondContact O-CA 3.25Å; G102-G106 PolarHBondContact O-N 3.27Å; G106-V108 VanDerWaalsContact C-N 3.28Å; G106-V108 PolarHBondContact O-N 3.23Å; G106-V108 VanDerWaalsContact O-N 3.16Å; G106-S109 WeakPolarHBondContact CA-OG 3.47Å; G106-S109 PolarHBondContact O-N 3.2Å; G106-K110 VanDerWaalsContact O-CB 3.25Å; G106-K110 WeakPolarHBondContact O-CB 3.46Å; G106-K110 WeakPolarHBondContact O-CG 3.44Å; G106-K110 PolarHBondContact O-N 3.04Å
107P84.4Confident93.2Very high61 Ų6119.6 Ų19.640%0.39611%0.11SC..THydrogen-bonded Turntrans-51-47.6-17215.3-29.5000112.7E10E10-P107 HydrophobicContact CG-CB 3.58Å; E10-P107 VanDerWaalsContact OE1-CB 3.24Å; E10-P107 WeakPolarHBondContact OE1-CB 3.38Å; E10-P107 WeakPolarHBondContact OE2-CB 3.23Å
108V88.3Confident93.2Very high0 Ų022 Ų220%012%0.122CC..THydrogen-bonded Turntrans-87.3-43.4177.8177.20000111.8L8 E10 R80 G106 W112L8-V108 VanDerWaalsContact O-CG2 3.26Å; L8-V108 WeakPolarHBondContact O-CG2 3.47Å; E10-V108 HydrophobicContact CG-CG2 4.05Å; R80-V108 HydrophobicContact CB-CG1 3.83Å; R80-V108 HydrophobicContact CG-CG1 4.48Å; R80-V108 VanDerWaalsContact NE-CG1 3.33Å; G106-V108 VanDerWaalsContact C-N 3.28Å; G106-V108 PolarHBondContact O-N 3.23Å; G106-V108 VanDerWaalsContact O-N 3.16Å; V108-W112 VanDerWaalsContact O-CD1 3.25Å
109S93Very high93.3Very high0 Ų022.4 Ų22.40%013%0.125CC..Hα-helixtrans-77.5-24.1-166.154.60000114.6F103 G106 F111 W112 A113F103-S109 CarbonylContact O-C 3.55Å; F103-S109 WeakPolarHBondContact O-CB 3.13Å; F103-S109 PolarHBondContact O-OG 3.09Å; G106-S109 WeakPolarHBondContact CA-OG 3.47Å; G106-S109 PolarHBondContact O-N 3.2Å; S109-F111 PolarHBondContact O-N 2.83Å; S109-W112 PolarHBondContact O-N 3.38Å; S109-A113 WeakPolarHBondContact O-CB 3.2Å; S109-A113 PolarHBondContact O-N 3.31Å
110K93.6Very high93.5Very high19 Ų1921.7 Ų21.78%0.08312%0.12CC..Hα-helixtrans-56.8-48.9-173.462.3-173.2-170.3162.20114.4E14 F17 E19 Y104 G106 A113 Y114E14-K110 WeakPolarHBondContact O-CE 3.15Å; F17-K110 HydrophobicContact CD1-CB 4.36Å; F17-K110 HydrophobicContact CD1-CD 4.37Å; F17-K110 HydrophobicContact CD1-CG 3.96Å; F17-K110 WeakPolarHBondContact O-CE 3.45Å; F17-K110 PolarHBondContact O-NZ 2.66Å; E19-K110 HydrophobicContact CB-CB 4.2Å; E19-K110 HydrophobicContact CB-CD 4.28Å; E19-K110 HydrophobicContact CG-CD 4.49Å; E19-K110 WeakPolarHBondContact OE2-CD 3.35Å; E19-K110 IonicContact OE2-NZ 3.32Å; E19-K110 PolarHBondContact OE2-NZ 2.93Å; Y104-K110 WeakPolarHBondContact O-CA 3.24Å; Y104-K110 WeakPolarHBondContact O-CB 3.48Å; G106-K110 VanDerWaalsContact O-CB 3.25Å; G106-K110 WeakPolarHBondContact O-CB 3.46Å; G106-K110 WeakPolarHBondContact O-CG 3.44Å; G106-K110 PolarHBondContact O-N 3.04Å; K110-A113 PolarHBondContact O-N 3.34Å; K110-Y114 PolarHBondContact O-N 3.2Å
111F95.4Very high93.7Very high54 Ų5422.2 Ų22.224%0.23713%0.126CC..Hα-helixtrans-63.4-46.1177.8170.5-93.4000110.9F13 E14 F17 S109 A113 Y114 A115F13-F111 HydrophobicContact CD2-CD1 4.25Å; F13-F111 HydrophobicContact CD2-CD2 4.27Å; F13-F111 HydrophobicContact CD2-CE1 4.24Å; F13-F111 HydrophobicContact CD2-CE2 4.26Å; F13-F111 HydrophobicContact CD2-CG 4.26Å; F13-F111 HydrophobicContact CD2-CZ 4.24Å; F13-F111 AromaticContact CE2-CD1 3.61Å; F13-F111 HydrophobicContact CE2-CD1 3.61Å; F13-F111 HydrophobicContact CE2-CD2 4.43Å; F13-F111 AromaticContact CE2-CE1 3.61Å; F13-F111 HydrophobicContact CE2-CE1 3.61Å; F13-F111 HydrophobicContact CE2-CE2 4.43Å; F13-F111 HydrophobicContact CE2-CG 4.03Å; F13-F111 HydrophobicContact CE2-CZ 4.04Å; E14-F111 HydrophobicContact CG-CB 4.42Å; F17-F111 HydrophobicContact CB-CB 4.31Å; F17-F111 HydrophobicContact CB-CD2 4.43Å; F17-F111 HydrophobicContact CD1-CB 4.18Å; F17-F111 AromaticContact CD2-CD2 3.73Å; F17-F111 HydrophobicContact CD2-CD2 3.73Å; F17-F111 HydrophobicContact CE2-CD2 4.15Å; F17-F111 HydrophobicContact CG-CB 4.08Å; F17-F111 HydrophobicContact CG-CD2 4.08Å; S109-F111 PolarHBondContact O-N 2.83Å; F111-A113 VanDerWaalsContact C-N 3.34Å; F111-A113 PolarHBondContact O-N 3.46Å; F111-Y114 PolarHBondContact O-N 2.96Å; F111-A115 HydrophobicContact CE1-CB 4.22Å; F111-A115 HydrophobicContact CZ-CB 4.41Å; F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 3.2Å
112W96.6Very high93.8Very high16 Ų1622.5 Ų22.56%0.06113%0.133CC..Hα-helixtrans-68.3-33.3-177.4-66.3101.7000112.6F13 E14 F73 F76 R80 T81 V108 S109 F116 Y171F13-W112 HydrophobicContact CZ-CZ2 4.32Å; E14-W112 PolarHBondContact OE1-NE1 3.15Å; F73-W112 HydrophobicContact CD2-CZ3 4.18Å; F73-W112 HydrophobicContact CE2-CE3 4.49Å; F73-W112 HydrophobicContact CE2-CZ3 4.12Å; F76-W112 HydrophobicContact CB-CH2 3.37Å; F76-W112 HydrophobicContact CB-CZ2 3.96Å; F76-W112 HydrophobicContact CB-CZ3 4.02Å; F76-W112 HydrophobicContact CG-CH2 4.44Å; R80-W112 HydrophobicContact CB-CD2 4.36Å; R80-W112 HydrophobicContact CB-CG 4.18Å; R80-W112 HydrophobicContact CG-CZ2 4Å; T81-W112 HydrophobicContact CG2-CB 3.59Å; T81-W112 HydrophobicContact CG2-CG 4.33Å; V108-W112 VanDerWaalsContact O-CD1 3.25Å; S109-W112 PolarHBondContact O-N 3.38Å; W112-F116 VanDerWaalsContact O-CB 3.27Å; W112-F116 WeakPolarHBondContact O-CB 3.22Å; W112-F116 PolarHBondContact O-N 2.84Å; W112-Y171 PolarHBondContact O-OH 3.27Å; W112-Y171 VanDerWaalsContact O-OH 3.1Å
113A96.9Very high94.1Very high0 Ų021.3 Ų21.30%012%0.12CC..Hα-helixtrans-62.2-44.917300000111.2F103 Y104 S109 K110 F111 F116 V117 Y156 M167F103-A113 HydrophobicContact CD1-CB 4.04Å; F103-A113 HydrophobicContact CE1-CB 3.72Å; Y104-A113 HydrophobicContact CD1-CB 4.26Å; S109-A113 WeakPolarHBondContact O-CB 3.2Å; S109-A113 PolarHBondContact O-N 3.31Å; K110-A113 PolarHBondContact O-N 3.34Å; F111-A113 VanDerWaalsContact C-N 3.34Å; F111-A113 PolarHBondContact O-N 3.46Å; A113-F116 WeakPolarHBondContact O-CB 3.45Å; A113-V117 WeakPolarHBondContact O-CG2 3.04Å; A113-V117 PolarHBondContact O-N 3.36Å; A113-Y156 HydrophobicContact CB-CE2 3.89Å; A113-M167 HydrophobicContact CB-SD 4.02Å
114Y96.8Very high94.2Very high39 Ų3922.3 Ų22.315%0.15313%0.125CC..Hα-helixtrans-67.6-47.3177.2-176.2-118.5000111.9F17 A22 W25 M26 K110 F111 F116 V117 L118 Y156F17-Y114 AromaticContact CE2-CD1 3.7Å; F17-Y114 HydrophobicContact CE2-CD1 3.7Å; F17-Y114 HydrophobicContact CE2-CE1 4.31Å; F17-Y114 HydrophobicContact CE2-CG 4.36Å; F17-Y114 AromaticContact CZ-CD1 3.49Å; F17-Y114 HydrophobicContact CZ-CD1 3.49Å; F17-Y114 VanDerWaalsContact CZ-CD1 3.49Å; F17-Y114 HydrophobicContact CZ-CE1 4.33Å; F17-Y114 AromaticContact CZ-CG 3.69Å; F17-Y114 HydrophobicContact CZ-CG 3.69Å; A22-Y114 HydrophobicContact CB-CD1 4.26Å; A22-Y114 HydrophobicContact CB-CD2 3.72Å; A22-Y114 HydrophobicContact CB-CE1 4.4Å; A22-Y114 HydrophobicContact CB-CE2 3.89Å; A22-Y114 HydrophobicContact CB-CG 3.91Å; W25-Y114 HydrophobicContact CE3-CE2 4.33Å; M26-Y114 HydrophobicContact CG-CD2 4.14Å; M26-Y114 HydrophobicContact CG-CE2 3.79Å; M26-Y114 HydrophobicContact SD-CE2 4.05Å; K110-Y114 PolarHBondContact O-N 3.2Å; F111-Y114 PolarHBondContact O-N 2.96Å; Y114-F116 VanDerWaalsContact C-N 3.25Å; Y114-F116 PolarHBondContact O-N 2.89Å; Y114-V117 PolarHBondContact O-N 2.85Å; Y114-V117 VanDerWaalsContact O-N 3.15Å; Y114-L118 HydrophobicContact CD1-CD1 3.95Å; Y114-L118 HydrophobicContact CD1-CG 4.49Å; Y114-L118 HydrophobicContact CE1-CD1 3.36Å; Y114-L118 HydrophobicContact CE1-CG 4.15Å; Y114-L118 HydrophobicContact CE2-CD1 4.25Å; Y114-L118 HydrophobicContact CE2-CD2 4.39Å; Y114-L118 HydrophobicContact CE2-CG 4.22Å; Y114-L118 PolarHBondContact O-N 3.2Å; Y114-L118 VanDerWaalsContact O-N 3.1Å; Y114-Y156 HydrophobicContact CD2-CE1 4.2Å
115A97Very high94.3Very high15 Ų1522.7 Ų22.712%0.12413%0.13CC..Hα-helixtrans-59.3-36.617900000112.1F73 F111 V117 L118 S119F73-A115 HydrophobicContact CE2-CB 3.93Å; F73-A115 HydrophobicContact CZ-CB 4.02Å; F111-A115 HydrophobicContact CE1-CB 4.22Å; F111-A115 HydrophobicContact CZ-CB 4.41Å; F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 3.2Å; A115-V117 PolarHBondContact O-N 2.82Å; A115-L118 PolarHBondContact O-N 3.47Å; A115-S119 WeakPolarHBondContact O-CB 3.32Å; A115-S119 PolarHBondContact O-N 3.19Å
116F97.7Very high94.4Very high13 Ų1320.2 Ų20.26%0.05712%0.116CC..Hα-helixtrans-58.2-46.8175.4178.4-93000112.7W112 A113 Y114 S119 M167 N170 Y171W112-F116 VanDerWaalsContact O-CB 3.27Å; W112-F116 WeakPolarHBondContact O-CB 3.22Å; W112-F116 PolarHBondContact O-N 2.84Å; A113-F116 WeakPolarHBondContact O-CB 3.45Å; Y114-F116 VanDerWaalsContact C-N 3.25Å; Y114-F116 PolarHBondContact O-N 2.89Å; F116-S119 PolarHBondContact O-N 3.24Å; F116-S119 PolarHBondContact O-OG 3.25Å; F116-M167 HydrophobicContact CB-SD 4.4Å; F116-M167 HydrophobicContact CD1-CB 4.32Å; F116-M167 HydrophobicContact CD1-CE 4.33Å; F116-M167 HydrophobicContact CD1-CG 3.61Å; F116-M167 HydrophobicContact CD1-SD 4.09Å; F116-M167 HydrophobicContact CD2-CB 4.22Å; F116-M167 HydrophobicContact CD2-CG 4.38Å; F116-M167 HydrophobicContact CE1-CB 4.44Å; F116-M167 HydrophobicContact CE1-CG 3.77Å; F116-M167 HydrophobicContact CE2-CB 4.32Å; F116-M167 HydrophobicContact CE2-CG 4.49Å; F116-M167 HydrophobicContact CG-CB 4.2Å; F116-M167 HydrophobicContact CG-CG 3.94Å; F116-M167 HydrophobicContact CG-SD 4.33Å; F116-M167 HydrophobicContact CZ-CB 4.43Å; F116-M167 HydrophobicContact CZ-CG 4.21Å; F116-N170 HydrophobicContact CE2-CB 3.7Å; F116-N170 WeakPolarHBondContact CE2-OD1 3.31Å; F116-N170 HydrophobicContact CZ-CB 3.82Å; F116-N170 WeakPolarHBondContact CZ-OD1 3.21Å; F116-Y171 VanDerWaalsContact CA-OH 3.27Å; F116-Y171 WeakPolarHBondContact CA-OH 3.34Å; F116-Y171 HydrophobicContact CB-CE2 3.78Å; F116-Y171 WeakPolarHBondContact CB-OH 3.47Å; F116-Y171 HydrophobicContact CD2-CD1 4.31Å; F116-Y171 AromaticContact CD2-CD2 3.88Å; F116-Y171 HydrophobicContact CD2-CD2 3.88Å; F116-Y171 HydrophobicContact CD2-CE1 4.05Å; F116-Y171 AromaticContact CD2-CE2 3.57Å; F116-Y171 HydrophobicContact CD2-CE2 3.57Å; F116-Y171 HydrophobicContact CD2-CG 4.24Å; F116-Y171 AromaticContact CD2-CZ 3.67Å; F116-Y171 HydrophobicContact CG-CE2 4.11Å; F116-Y171 PolarHBondContact N-OH 3.17Å
117V96.4Very high94.8Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-71.2-40.3-175.9176.90000110.1M26 A113 Y114 A115 S119 K120 W153 Y156 M167M26-V117 HydrophobicContact CE-CG1 3.54Å; M26-V117 HydrophobicContact SD-CG1 4.24Å; A113-V117 WeakPolarHBondContact O-CG2 3.04Å; A113-V117 PolarHBondContact O-N 3.36Å; Y114-V117 PolarHBondContact O-N 2.85Å; Y114-V117 VanDerWaalsContact O-N 3.15Å; A115-V117 PolarHBondContact O-N 2.82Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 2.86Å; V117-K120 PolarHBondContact O-N 3.03Å; V117-W153 HydrophobicContact CG1-CB 4.4Å; V117-W153 HydrophobicContact CG1-CG 3.88Å; V117-W153 PolarHBondContact O-NE1 3.27Å; V117-Y156 HydrophobicContact CB-CD2 4.44Å; V117-Y156 HydrophobicContact CG2-CD2 3.54Å; V117-Y156 HydrophobicContact CG2-CE2 4.45Å; V117-Y156 HydrophobicContact CG2-CG 3.86Å; V117-M167 HydrophobicContact CG2-CE 4.18Å
118L96.3Very high95.3Very high55 Ų5520.4 Ų20.429%0.28811%0.112SC..Hα-helixtrans-64.2-37173.3-67.6-170.8000112.2W25 Y114 A115 K120 A121 P122 W153W25-L118 HydrophobicContact CH2-CD2 4.27Å; W25-L118 HydrophobicContact CZ3-CD2 3.93Å; Y114-L118 HydrophobicContact CD1-CD1 3.95Å; Y114-L118 HydrophobicContact CD1-CG 4.49Å; Y114-L118 HydrophobicContact CE1-CD1 3.36Å; Y114-L118 HydrophobicContact CE1-CG 4.15Å; Y114-L118 HydrophobicContact CE2-CD1 4.25Å; Y114-L118 HydrophobicContact CE2-CD2 4.39Å; Y114-L118 HydrophobicContact CE2-CG 4.22Å; Y114-L118 PolarHBondContact O-N 3.2Å; Y114-L118 VanDerWaalsContact O-N 3.1Å; A115-L118 PolarHBondContact O-N 3.47Å; L118-K120 PolarHBondContact O-N 3.42Å; L118-K120 VanDerWaalsContact O-N 3.1Å; L118-A121 PolarHBondContact O-N 3.32Å; L118-A121 VanDerWaalsContact O-N 3.17Å; L118-P122 WeakPolarHBondContact O-CD 3.24Å; L118-W153 HydrophobicContact CD2-CH2 4.49Å; L118-W153 HydrophobicContact CD2-CZ2 4.05Å
119S97Very high95.6Very high8 Ų821.9 Ų21.96%0.05612%0.118CC..Hα-helixtrans-61.2-22.7-177.585.20000113.6F73 A115 F116 V117 A121 P122 E123F73-S119 VanDerWaalsContact CE1-CB 3.41Å; A115-S119 WeakPolarHBondContact O-CB 3.32Å; A115-S119 PolarHBondContact O-N 3.19Å; F116-S119 PolarHBondContact O-N 3.24Å; F116-S119 PolarHBondContact O-OG 3.25Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 2.86Å; S119-A121 PolarHBondContact O-N 3.45Å; S119-P122 VanDerWaalsContact O-CD 3.27Å; S119-P122 WeakPolarHBondContact O-CD 3.45Å; S119-E123 WeakPolarHBondContact O-CB 3.33Å; S119-E123 WeakPolarHBondContact O-CG 3.25Å; S119-E123 PolarHBondContact O-N 3.47Å; S119-E123 PolarHBondContact OG-OE1 3.25Å
120K96.9Very high95.6Very high1 Ų123.7 Ų23.70%0.00413%0.128CC..Hα-helixtrans-63.7-28.3178.6-58.1-43.3176.9-165.70113.3V117 L118 E123 V148 L149 S152 N170V117-K120 PolarHBondContact O-N 3.03Å; L118-K120 PolarHBondContact O-N 3.42Å; L118-K120 VanDerWaalsContact O-N 3.1Å; K120-E123 VanDerWaalsContact CD-OE2 3.3Å; K120-E123 WeakPolarHBondContact CD-OE2 3.23Å; K120-E123 VanDerWaalsContact NZ-CD 3.34Å; K120-E123 IonicContact NZ-OE1 3.8Å; K120-E123 PolarHBondContact NZ-OE1 2.92Å; K120-E123 IonicContact NZ-OE2 3.53Å; K120-E123 PolarHBondContact NZ-OE2 3.28Å; K120-V148 HydrophobicContact CD-CG1 4.34Å; K120-L149 HydrophobicContact CB-CB 4.33Å; K120-L149 HydrophobicContact CB-CD1 3.78Å; K120-S152 WeakPolarHBondContact CG-OG 3.4Å; K120-N170 PolarHBondContact NZ-OD1 2.98Å
121A95.4Very high95.7Very high26 Ų2623.1 Ų23.122%0.21513%0.126CC..Hα-helixtrans-74.2-50.1175.100000112.2F36 L118 S119 E123 L124 L149F36-A121 HydrophobicContact CD2-CB 4.43Å; L118-A121 PolarHBondContact O-N 3.32Å; L118-A121 VanDerWaalsContact O-N 3.17Å; S119-A121 PolarHBondContact O-N 3.45Å; A121-E123 VanDerWaalsContact C-N 3.31Å; A121-E123 PolarHBondContact O-N 3.17Å; A121-L124 VanDerWaalsContact O-CB 3.24Å; A121-L124 WeakPolarHBondContact O-CB 3.42Å; A121-L124 VanDerWaalsContact O-CG 3.24Å; A121-L124 WeakPolarHBondContact O-CG 3.46Å; A121-L124 PolarHBondContact O-N 3.41Å; A121-L149 HydrophobicContact CB-CD1 4.2Å
122P95.3Very high95.6Very high66 Ų6622.8 Ų22.843%0.42913%0.126SC..Hα-helixtrans-54.4-41.9169-29.836000113.6W66 L118 S119 L124 G125W66-P122 HydrophobicContact CH2-CB 4.14Å; W66-P122 VanDerWaalsContact CH2-O 3.27Å; W66-P122 WeakPolarHBondContact CH2-O 3.44Å; W66-P122 WeakPolarHBondContact CZ2-O 3.21Å; L118-P122 WeakPolarHBondContact O-CD 3.24Å; S119-P122 VanDerWaalsContact O-CD 3.27Å; S119-P122 WeakPolarHBondContact O-CD 3.45Å; P122-L124 PolarHBondContact O-N 3.43Å; P122-G125 WeakPolarHBondContact O-CA 3.38Å; P122-G125 PolarHBondContact O-N 3.43Å
123E96.6Very high95.4Very high2 Ų225.4 Ų25.41%0.00914%0.136CC..Hα-helixtrans-55.5-22.9179.6-76.3170.7-146.100113.4L70 S119 K120 A121 G125 D126 H174L70-E123 HydrophobicContact CD2-CG 4.48Å; S119-E123 WeakPolarHBondContact O-CB 3.33Å; S119-E123 WeakPolarHBondContact O-CG 3.25Å; S119-E123 PolarHBondContact O-N 3.47Å; S119-E123 PolarHBondContact OG-OE1 3.25Å; K120-E123 VanDerWaalsContact CD-OE2 3.3Å; K120-E123 WeakPolarHBondContact CD-OE2 3.23Å; K120-E123 VanDerWaalsContact NZ-CD 3.34Å; K120-E123 IonicContact NZ-OE1 3.8Å; K120-E123 PolarHBondContact NZ-OE1 2.92Å; K120-E123 IonicContact NZ-OE2 3.53Å; K120-E123 PolarHBondContact NZ-OE2 3.28Å; A121-E123 VanDerWaalsContact C-N 3.31Å; A121-E123 PolarHBondContact O-N 3.17Å; E123-G125 PolarHBondContact O-N 2.87Å; E123-G125 VanDerWaalsContact O-N 3.13Å; E123-D126 WeakPolarHBondContact O-CB 3.26Å; E123-D126 PolarHBondContact O-N 3.1Å; E123-D126 VanDerWaalsContact O-N 3.07Å; E123-H174 IonicContact OE1-ND1 3.35Å; E123-H174 IonicContact OE2-CE1 3.24Å; E123-H174 PolarHBondContact OE2-CE1 3.44Å; E123-H174 IonicContact OE2-ND1 2.89Å
124L94.7Very high95.2Very high21 Ų2129.9 Ų29.911%0.1116%0.156CC..THydrogen-bonded Turntrans-58.3-23.4170.4-58.2-178.8000113.1Y40 A121 P122 D126 T127 H145 L149Y40-L124 HydrophobicContact CD1-CD2 4.4Å; Y40-L124 HydrophobicContact CD2-CB 3.79Å; Y40-L124 HydrophobicContact CD2-CD1 4.14Å; Y40-L124 HydrophobicContact CD2-CD2 3.82Å; Y40-L124 HydrophobicContact CD2-CG 4.13Å; Y40-L124 HydrophobicContact CE2-CB 4.04Å; Y40-L124 HydrophobicContact CE2-CD2 3.92Å; Y40-L124 HydrophobicContact CG-CD1 4.23Å; Y40-L124 HydrophobicContact CG-CD2 4.04Å; A121-L124 VanDerWaalsContact O-CB 3.24Å; A121-L124 WeakPolarHBondContact O-CB 3.42Å; A121-L124 VanDerWaalsContact O-CG 3.24Å; A121-L124 WeakPolarHBondContact O-CG 3.46Å; A121-L124 PolarHBondContact O-N 3.41Å; P122-L124 PolarHBondContact O-N 3.43Å; L124-D126 PolarHBondContact O-N 3.26Å; L124-T127 WeakPolarHBondContact O-CB 3.3Å; L124-T127 PolarHBondContact O-N 2.92Å; L124-T127 VanDerWaalsContact O-N 3.16Å; L124-H145 HydrophobicContact CD2-CB 3.82Å; L124-L149 HydrophobicContact CD1-CD2 3.92Å; L124-L149 HydrophobicContact CD2-CD2 4.49Å
125G93.9Very high94.9Very high9 Ų933 Ų339%0.09317%0.171CC..Hα-helixtrans-58.4-26.4173.900000113.6P122 E123 T127 I128 F129P122-G125 WeakPolarHBondContact O-CA 3.38Å; P122-G125 PolarHBondContact O-N 3.43Å; E123-G125 PolarHBondContact O-N 2.87Å; E123-G125 VanDerWaalsContact O-N 3.13Å; G125-T127 PolarHBondContact O-N 3.48Å; G125-I128 VanDerWaalsContact O-CB 3.31Å; G125-I128 WeakPolarHBondContact O-CB 3.48Å; G125-I128 PolarHBondContact O-N 3.47Å; G125-F129 WeakPolarHBondContact O-CD2 3.46Å; G125-F129 PolarHBondContact O-N 3.29Å
126D94.5Very high94.6Very high14 Ų1441.2 Ų41.28%0.07520%0.204CC..Hα-helixtrans-55.7-41.2175-72.7-13000111.3W66 E123 L124 I128 F129 I130 Y178W66-D126 PolarHBondContact NE1-OD1 3.04Å; E123-D126 WeakPolarHBondContact O-CB 3.26Å; E123-D126 PolarHBondContact O-N 3.1Å; E123-D126 VanDerWaalsContact O-N 3.07Å; L124-D126 PolarHBondContact O-N 3.26Å; D126-I128 VanDerWaalsContact C-N 3.34Å; D126-I128 PolarHBondContact O-N 2.7Å; D126-F129 PolarHBondContact O-N 3.45Å; D126-I130 WeakPolarHBondContact O-CG1 3.15Å; D126-I130 PolarHBondContact O-N 3.15Å; D126-I130 VanDerWaalsContact O-N 3.16Å; D126-Y178 VanDerWaalsContact OD2-CE1 3.3Å; D126-Y178 WeakPolarHBondContact OD2-CE1 3.42Å; D126-Y178 PolarHBondContact OD2-OH 2.9Å
127T95.1Very high94.4Very high0 Ų041.3 Ų41.30%021%0.205CC..Hα-helixtrans-70.7-31.9-179.7-46.30000112.4Y40 V44 L124 G125 F129 I130 V131 L137 H141Y40-T127 HydrophobicContact CE2-CG2 3.9Å; Y40-T127 WeakPolarHBondContact CE2-OG1 2.95Å; Y40-T127 WeakPolarHBondContact OH-CG2 3.25Å; Y40-T127 PolarHBondContact OH-OG1 2.88Å; V44-T127 HydrophobicContact CG2-CG2 3.67Å; L124-T127 WeakPolarHBondContact O-CB 3.3Å; L124-T127 PolarHBondContact O-N 2.92Å; L124-T127 VanDerWaalsContact O-N 3.16Å; G125-T127 PolarHBondContact O-N 3.48Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 3.18Å; T127-I130 PolarHBondContact O-N 2.87Å; T127-V131 HydrophobicContact CG2-CG2 4.3Å; T127-V131 WeakPolarHBondContact O-CG2 3.38Å; T127-V131 PolarHBondContact O-N 3.36Å; T127-L137 HydrophobicContact CG2-CD1 3.82Å; T127-L137 HydrophobicContact CG2-CD2 3.54Å; T127-L137 HydrophobicContact CG2-CG 4.36Å; T127-H141 PolarHBondContact OG1-CD2 3.16Å; T127-H141 PolarHBondContact OG1-NE2 3.42Å
128I93.8Very high94.3Very high70 Ų7044 Ų4436%0.35922%0.219SC..Hα-helixtrans-58.1-48.3173.5-57.4178.8000109.4F43 G125 D126 I130 V131 L132F43-I128 HydrophobicContact CD1-CG1 4.34Å; F43-I128 HydrophobicContact CE1-CB 4.14Å; F43-I128 HydrophobicContact CE1-CG1 3.68Å; F43-I128 HydrophobicContact CE1-CG2 4.49Å; F43-I128 HydrophobicContact CZ-CB 4.06Å; F43-I128 HydrophobicContact CZ-CG1 3.83Å; F43-I128 HydrophobicContact CZ-CG2 3.91Å; G125-I128 VanDerWaalsContact O-CB 3.31Å; G125-I128 WeakPolarHBondContact O-CB 3.48Å; G125-I128 PolarHBondContact O-N 3.47Å; D126-I128 VanDerWaalsContact C-N 3.34Å; D126-I128 PolarHBondContact O-N 2.7Å; I128-I130 VanDerWaalsContact C-N 3.33Å; I128-I130 PolarHBondContact O-N 3.34Å; I128-V131 PolarHBondContact O-N 3.09Å; I128-L132 HydrophobicContact CG2-CD1 3.68Å; I128-L132 HydrophobicContact CG2-CG 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.22Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.42Å; I128-L132 PolarHBondContact O-N 2.93Å
129F94.1Very high94.1Very high31 Ų3146.5 Ų46.514%0.13623%0.228CC..Hα-helixtrans-62.2-39.5176.6-69.4-71.5000112.7L59 P62 L63 W66 G125 D126 T127 R133L59-F129 HydrophobicContact CB-CD1 4.05Å; L59-F129 HydrophobicContact CB-CE1 4.27Å; L59-F129 HydrophobicContact CD1-CD1 4.12Å; L59-F129 HydrophobicContact CD1-CE1 4.49Å; P62-F129 HydrophobicContact CB-CE1 3.97Å; P62-F129 HydrophobicContact CB-CZ 4.34Å; L63-F129 HydrophobicContact CB-CD1 4.17Å; L63-F129 HydrophobicContact CB-CE1 4.36Å; L63-F129 HydrophobicContact CD1-CB 4.01Å; L63-F129 HydrophobicContact CD1-CD1 4.27Å; L63-F129 HydrophobicContact CD1-CD2 4Å; L63-F129 HydrophobicContact CD1-CG 3.83Å; W66-F129 HydrophobicContact CB-CE2 3.87Å; W66-F129 HydrophobicContact CB-CZ 4.04Å; W66-F129 AromaticContact CD1-CE2 3.67Å; W66-F129 AromaticContact CD2-CE2 3.81Å; W66-F129 HydrophobicContact CD2-CE2 3.81Å; W66-F129 HydrophobicContact CE3-CE2 4.46Å; W66-F129 HydrophobicContact CG-CD2 4.32Å; W66-F129 AromaticContact CG-CE2 3.49Å; W66-F129 HydrophobicContact CG-CE2 3.49Å; W66-F129 VanDerWaalsContact CG-CE2 3.49Å; W66-F129 HydrophobicContact CG-CZ 4.13Å; G125-F129 WeakPolarHBondContact O-CD2 3.46Å; G125-F129 PolarHBondContact O-N 3.29Å; D126-F129 PolarHBondContact O-N 3.45Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 3.18Å; F129-R133 WeakPolarHBondContact O-CB 3.26Å; F129-R133 WeakPolarHBondContact O-CG 3.47Å; F129-R133 PolarHBondContact O-N 3Å
130I94Very high94Very high39 Ų3946.9 Ų46.920%0.223%0.23CC..Hα-helixtrans-63.4-47.5178.2-66.2170.6000110.6D126 T127 I128 K134 Q135 L137D126-I130 WeakPolarHBondContact O-CG1 3.15Å; D126-I130 PolarHBondContact O-N 3.15Å; D126-I130 VanDerWaalsContact O-N 3.16Å; T127-I130 PolarHBondContact O-N 2.87Å; I128-I130 VanDerWaalsContact C-N 3.33Å; I128-I130 PolarHBondContact O-N 3.34Å; I130-K134 PolarHBondContact O-N 3.17Å; I130-Q135 HydrophobicContact CB-CB 4.48Å; I130-Q135 HydrophobicContact CG2-CB 3.84Å; I130-Q135 PolarHBondContact O-N 3.39Å; I130-L137 HydrophobicContact CD1-CD1 4.25Å; I130-L137 HydrophobicContact CG2-CB 3.7Å; I130-L137 HydrophobicContact CG2-CD1 4.12Å; I130-L137 HydrophobicContact CG2-CG 4.46Å
131V94.6Very high93.9Very high6 Ų648.7 Ų48.74%0.03624%0.238CC..Hα-helixtrans-65.3-50-179.2172.20000111.2F43 R48 M51 T127 I128 R133 K134 L137F43-V131 HydrophobicContact CE1-CB 4.29Å; F43-V131 HydrophobicContact CE1-CG2 4.29Å; F43-V131 HydrophobicContact CZ-CB 4.48Å; F43-V131 HydrophobicContact CZ-CG1 4.47Å; R48-V131 HydrophobicContact CG-CG2 4.4Å; M51-V131 HydrophobicContact CG-CG1 4.07Å; T127-V131 HydrophobicContact CG2-CG2 4.3Å; T127-V131 WeakPolarHBondContact O-CG2 3.38Å; T127-V131 PolarHBondContact O-N 3.36Å; I128-V131 PolarHBondContact O-N 3.09Å; V131-R133 VanDerWaalsContact C-N 3.29Å; V131-R133 PolarHBondContact O-N 2.86Å; V131-K134 PolarHBondContact O-N 3.05Å; V131-K134 VanDerWaalsContact O-N 3.07Å; V131-L137 HydrophobicContact CG2-CD2 4.14Å
132L93.6Very high93.9Very high47 Ų4750.1 Ų50.125%0.24624%0.238CC..Hα-helixtrans-66.6-29.2-178.1-66.4-179.3000113.1M51 F57 L59 I128 K134M51-L132 WeakPolarHBondContact CE-O 3.29Å; M51-L132 HydrophobicContact CG-CD2 4.46Å; M51-L132 HydrophobicContact SD-CD2 3.98Å; F57-L132 HydrophobicContact CD2-CB 4.16Å; F57-L132 HydrophobicContact CD2-CD2 4.19Å; F57-L132 HydrophobicContact CE2-CD2 4.25Å; F57-L132 PolarHBondContact N-O 3.4Å; L59-L132 HydrophobicContact CD1-CB 3.64Å; L59-L132 HydrophobicContact CD1-CD1 3.68Å; L59-L132 HydrophobicContact CD1-CG 4.33Å; I128-L132 HydrophobicContact CG2-CD1 3.68Å; I128-L132 HydrophobicContact CG2-CG 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.22Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.42Å; I128-L132 PolarHBondContact O-N 2.93Å; L132-K134 VanDerWaalsContact C-N 3.3Å
133R93.6Very high94Very high72 Ų7249.8 Ų49.827%0.27223%0.228SC..THydrogen-bonded Turntrans-897.1175.6-63179.366.1-140.5-3.1113.6L59 F129 V131 Q135L59-R133 HydrophobicContact CB-CG 4.31Å; F129-R133 WeakPolarHBondContact O-CB 3.26Å; F129-R133 WeakPolarHBondContact O-CG 3.47Å; F129-R133 PolarHBondContact O-N 3Å; V131-R133 VanDerWaalsContact C-N 3.29Å; V131-R133 PolarHBondContact O-N 2.86Å; R133-Q135 HydrophobicContact CB-CG 3.97Å; R133-Q135 PolarHBondContact O-N 2.77Å; R133-Q135 PolarHBondContact O-NE2 3.45Å; R133-Q135 VanDerWaalsContact O-NE2 3.13Å
134K91.4Very high94Very high94 Ų9450.6 Ų50.641%0.40923%0.232SC..THydrogen-bonded Turntrans5236.7-176.7-66.9-171.2145.1-177.70113.6M51 N52 R54 K56 I130 V131 L132M51-K134 HydrophobicContact CE-CG 4.07Å; M51-K134 WeakPolarHBondContact O-CE 3.2Å; M51-K134 PolarHBondContact O-NZ 2.94Å; N52-K134 PolarHBondContact O-NZ 2.6Å; R54-K134 WeakPolarHBondContact O-CE 3.34Å; R54-K134 PolarHBondContact O-NZ 3.24Å; K56-K134 HydrophobicContact CB-CB 4.37Å; K56-K134 HydrophobicContact CB-CD 4.3Å; K56-K134 HydrophobicContact CB-CG 4.26Å; I130-K134 PolarHBondContact O-N 3.17Å; V131-K134 PolarHBondContact O-N 3.05Å; V131-K134 VanDerWaalsContact O-N 3.07Å; L132-K134 VanDerWaalsContact C-N 3.3Å
135Q91.8Very high94.1Very high103 Ų10350 Ų5048%0.48123%0.229SC..  trans-83.1154.9175.7-62.3-57.5-59.900110.6I130 R133 L137I130-Q135 HydrophobicContact CB-CB 4.48Å; I130-Q135 HydrophobicContact CG2-CB 3.84Å; I130-Q135 PolarHBondContact O-N 3.39Å; R133-Q135 HydrophobicContact CB-CG 3.97Å; R133-Q135 PolarHBondContact O-N 2.77Å; R133-Q135 PolarHBondContact O-NE2 3.45Å; R133-Q135 VanDerWaalsContact O-NE2 3.13Å; Q135-L137 PolarHBondContact O-N 3.28Å
136K90.4Very high94.3Very high188 Ų18850.8 Ų50.882%0.81723%0.231SC*.  trans-67.6104.6179.2-175.3-178.9179.8-177.90109.8I138K136-I138 HydrophobicContact CD-CG2 4.45Å; K136-I138 HydrophobicContact CG-CG2 4.32Å; K136-I138 PolarHBondContact O-N 2.62Å
137L92.8Very high94.4Very high15 Ų1551.6 Ų51.68%0.07924%0.236CC..  trans-82.8109.4172.7177.763.9000109.7V44 R48 T127 I130 V131 Q135 H141V44-L137 HydrophobicContact CB-CD2 4.49Å; V44-L137 HydrophobicContact CG1-CD2 3.63Å; V44-L137 HydrophobicContact CG2-CD2 4.18Å; R48-L137 PolarHBondContact NH2-O 3.29Å; T127-L137 HydrophobicContact CG2-CD1 3.82Å; T127-L137 HydrophobicContact CG2-CD2 3.54Å; T127-L137 HydrophobicContact CG2-CG 4.36Å; I130-L137 HydrophobicContact CD1-CD1 4.25Å; I130-L137 HydrophobicContact CG2-CB 3.7Å; I130-L137 HydrophobicContact CG2-CD1 4.12Å; I130-L137 HydrophobicContact CG2-CG 4.46Å; V131-L137 HydrophobicContact CG2-CD2 4.14Å; Q135-L137 PolarHBondContact O-N 3.28Å; L137-H141 HydrophobicContact CD1-CB 4.04Å; L137-H141 WeakPolarHBondContact CD1-CD2 3.43Å
138I93.7Very high94.4Very high57 Ų5752.2 Ų52.229%0.29224%0.24SC..  trans-82.9156-17860.9175000111.8K136 L140 H141 W142 F249K136-I138 HydrophobicContact CD-CG2 4.45Å; K136-I138 HydrophobicContact CG-CG2 4.32Å; K136-I138 PolarHBondContact O-N 2.62Å; I138-L140 HydrophobicContact CD1-CB 4.09Å; I138-L140 HydrophobicContact CD1-CD2 4.38Å; I138-L140 HydrophobicContact CG1-CB 4.36Å; I138-L140 PolarHBondContact O-N 3.37Å; I138-H141 HydrophobicContact CG1-CB 3.87Å; I138-H141 PolarHBondContact O-N 2.97Å; I138-W142 VanDerWaalsContact O-CD1 3.29Å; I138-F249 HydrophobicContact CD1-CD2 4.16Å; I138-F249 HydrophobicContact CD1-CE2 4.15Å
139F93.8Very high94.6Very high107 Ų10748.9 Ų48.947%0.46922%0.223SC..Hα-helixtrans-53.9-50.3177.6175-103.5000112.4H141 W142 Y143 L245F139-H141 PolarHBondContact O-N 2.87Å; F139-H141 VanDerWaalsContact O-N 3.12Å; F139-W142 AromaticContact CD2-CE2 3.71Å; F139-W142 HydrophobicContact CD2-CH2 4.09Å; F139-W142 AromaticContact CD2-CZ2 3.33Å; F139-W142 HydrophobicContact CD2-CZ2 3.33Å; F139-W142 AromaticContact CD2-NE1 3.93Å; F139-W142 AromaticContact CE2-CH2 3.73Å; F139-W142 HydrophobicContact CE2-CH2 3.73Å; F139-W142 AromaticContact CE2-CZ2 3.46Å; F139-W142 HydrophobicContact CE2-CZ2 3.46Å; F139-W142 VanDerWaalsContact CE2-CZ2 3.46Å; F139-W142 PolarHBondContact O-N 2.97Å; F139-Y143 HydrophobicContact CE1-CD1 4.43Å; F139-Y143 HydrophobicContact CE1-CD2 4.49Å; F139-Y143 HydrophobicContact CE1-CG 4.09Å; F139-Y143 AromaticContact CZ-CD2 3.92Å; F139-Y143 HydrophobicContact CZ-CD2 3.92Å; F139-Y143 AromaticContact CZ-CG 3.91Å; F139-Y143 HydrophobicContact CZ-CG 3.91Å; F139-Y143 VanDerWaalsContact O-CB 3.24Å; F139-Y143 WeakPolarHBondContact O-CB 3.18Å; F139-Y143 PolarHBondContact O-N 3.33Å; F139-L245 HydrophobicContact CD1-CD2 4.08Å; F139-L245 HydrophobicContact CE1-CD1 4.17Å; F139-L245 HydrophobicContact CE1-CD2 4.12Å
140L94.4Very high94.7Very high17 Ų1749.3 Ų49.39%0.08923%0.226CC..Hα-helixtrans-49.1-42.1179.5169.463.2000112.6I138 H144 L245 F246 F249I138-L140 HydrophobicContact CD1-CB 4.09Å; I138-L140 HydrophobicContact CD1-CD2 4.38Å; I138-L140 HydrophobicContact CG1-CB 4.36Å; I138-L140 PolarHBondContact O-N 3.37Å; L140-H144 WeakPolarHBondContact O-CB 3.49Å; L140-H144 PolarHBondContact O-N 2.76Å; L140-L245 HydrophobicContact CD1-CB 3.57Å; L140-L245 HydrophobicContact CD1-CD1 4.05Å; L140-L245 HydrophobicContact CD1-CG 4.45Å; L140-L245 HydrophobicContact CG-CB 4.48Å; L140-F246 HydrophobicContact CD1-CD2 4.08Å; L140-F246 HydrophobicContact CD1-CE2 3.94Å; L140-F246 HydrophobicContact CD1-CZ 4.36Å; L140-F246 HydrophobicContact CD2-CD1 4.05Å; L140-F246 HydrophobicContact CD2-CD2 4.49Å; L140-F246 HydrophobicContact CD2-CE1 4Å; L140-F246 HydrophobicContact CD2-CE2 4.45Å; L140-F246 HydrophobicContact CD2-CG 4.29Å; L140-F246 HydrophobicContact CD2-CZ 4.21Å; L140-F249 HydrophobicContact CD2-CB 4.09Å; L140-F249 HydrophobicContact CD2-CG 4.33Å
141H95.4Very high94.9Very high38 Ų3848.7 Ų48.718%0.17622%0.221CC..Hα-helixtrans-67.4-56.5-175.5-178.893.1000111.7T127 L137 I138 F139 Y143 H144 H145T127-H141 PolarHBondContact OG1-CD2 3.16Å; T127-H141 PolarHBondContact OG1-NE2 3.42Å; L137-H141 HydrophobicContact CD1-CB 4.04Å; L137-H141 WeakPolarHBondContact CD1-CD2 3.43Å; I138-H141 HydrophobicContact CG1-CB 3.87Å; I138-H141 PolarHBondContact O-N 2.97Å; F139-H141 PolarHBondContact O-N 2.87Å; F139-H141 VanDerWaalsContact O-N 3.12Å; H141-Y143 PolarHBondContact O-N 2.83Å; H141-H144 PolarHBondContact O-N 3.36Å; H141-H145 AromaticContact CD2-CD2 3.53Å; H141-H145 AromaticContact CE1-CD2 3.47Å; H141-H145 PolarHBondContact CE1-CD2 2.99Å; H141-H145 VanDerWaalsContact CE1-CD2 3.47Å; H141-H145 AromaticContact CE1-NE2 3.13Å; H141-H145 PolarHBondContact CE1-NE2 3.29Å; H141-H145 AromaticContact CG-CD2 3.87Å; H141-H145 AromaticContact ND1-CD2 3.82Å; H141-H145 AromaticContact ND1-NE2 3.66Å; H141-H145 AromaticContact NE2-CD2 3.34Å; H141-H145 PolarHBondContact NE2-CD2 3.45Å; H141-H145 VanDerWaalsContact NE2-CD2 3.34Å; H141-H145 AromaticContact NE2-NE2 3.44Å; H141-H145 PolarHBondContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact O-CD2 2.86Å; H141-H145 PolarHBondContact O-N 3.41Å
142W95.4Very high94.9Very high56 Ų5648.6 Ų48.621%0.21222%0.221CC..Hα-helixtrans-72.8-32.3-174.870.3-99.6000112.6Y40 F45 I138 F139 I146Y40-W142 HydrophobicContact CE1-CB 4.12Å; Y40-W142 WeakPolarHBondContact OH-CA 3.24Å; Y40-W142 WeakPolarHBondContact OH-CB 3.24Å; F45-W142 HydrophobicContact CZ-CZ2 4.48Å; I138-W142 VanDerWaalsContact O-CD1 3.29Å; F139-W142 AromaticContact CD2-CE2 3.71Å; F139-W142 HydrophobicContact CD2-CH2 4.09Å; F139-W142 AromaticContact CD2-CZ2 3.33Å; F139-W142 HydrophobicContact CD2-CZ2 3.33Å; F139-W142 AromaticContact CD2-NE1 3.93Å; F139-W142 AromaticContact CE2-CH2 3.73Å; F139-W142 HydrophobicContact CE2-CH2 3.73Å; F139-W142 AromaticContact CE2-CZ2 3.46Å; F139-W142 HydrophobicContact CE2-CZ2 3.46Å; F139-W142 VanDerWaalsContact CE2-CZ2 3.46Å; F139-W142 PolarHBondContact O-N 2.97Å; W142-I146 HydrophobicContact CE3-CD1 3.83Å; W142-I146 HydrophobicContact CZ3-CD1 4.12Å; W142-I146 WeakPolarHBondContact O-CG1 3.47Å; W142-I146 PolarHBondContact O-N 3.07Å
143Y96.6Very high95.1Very high59 Ų5946.6 Ų46.623%0.23121%0.211CC..Hα-helixtrans-59.3-55171.3172.9-105.4000110.2F139 H141 H145 I146 T147 S241 Y242 L245F139-Y143 HydrophobicContact CE1-CD1 4.43Å; F139-Y143 HydrophobicContact CE1-CD2 4.49Å; F139-Y143 HydrophobicContact CE1-CG 4.09Å; F139-Y143 AromaticContact CZ-CD2 3.92Å; F139-Y143 HydrophobicContact CZ-CD2 3.92Å; F139-Y143 AromaticContact CZ-CG 3.91Å; F139-Y143 HydrophobicContact CZ-CG 3.91Å; F139-Y143 VanDerWaalsContact O-CB 3.24Å; F139-Y143 WeakPolarHBondContact O-CB 3.18Å; F139-Y143 PolarHBondContact O-N 3.33Å; H141-Y143 PolarHBondContact O-N 2.83Å; Y143-H145 PolarHBondContact O-N 3.3Å; Y143-I146 PolarHBondContact O-N 3.39Å; Y143-T147 HydrophobicContact CD2-CG2 4.21Å; Y143-T147 HydrophobicContact CE2-CG2 3.76Å; Y143-T147 PolarHBondContact O-N 3.4Å; Y143-T147 PolarHBondContact O-OG1 3.16Å; Y143-S241 PolarHBondContact OH-OG 3.43Å; Y143-Y242 HydrophobicContact CD1-CD1 4.38Å; Y143-Y242 HydrophobicContact CD1-CE1 4.02Å; Y143-Y242 AromaticContact CE1-CD1 3.96Å; Y143-Y242 HydrophobicContact CE1-CD1 3.96Å; Y143-Y242 AromaticContact CE1-CE1 3.69Å; Y143-Y242 HydrophobicContact CE1-CE1 3.69Å; Y143-L245 HydrophobicContact CD1-CD1 3.63Å; Y143-L245 HydrophobicContact CE1-CD1 3.78Å
144H96.6Very high95.2Very high19 Ų1944.8 Ų44.89%0.08820%0.204CC..Hα-helixtrans-54.1-48.4178.9170.7-87.4000112.6L140 H141 I146 T147 V148 Y242L140-H144 WeakPolarHBondContact O-CB 3.49Å; L140-H144 PolarHBondContact O-N 2.76Å; H141-H144 PolarHBondContact O-N 3.36Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 PolarHBondContact O-N 2.97Å; H144-T147 PolarHBondContact O-N 3.22Å; H144-T147 PolarHBondContact O-OG1 2.9Å; H144-V148 WeakPolarHBondContact O-CB 3.48Å; H144-V148 VanDerWaalsContact O-CG1 3.22Å; H144-V148 WeakPolarHBondContact O-CG1 3.4Å; H144-V148 PolarHBondContact O-N 3.26Å; H144-Y242 HydrophobicContact CB-CE1 4.22Å; H144-Y242 AromaticContact CD2-CD2 3.89Å; H144-Y242 AromaticContact CD2-CE2 3.45Å; H144-Y242 VanDerWaalsContact CD2-CE2 3.45Å; H144-Y242 WeakPolarHBondContact CD2-CE2 3.42Å; H144-Y242 AromaticContact CD2-CZ 3.53Å; H144-Y242 PolarHBondContact O-OH 3.02Å
145H97Very high95.3Very high9 Ų940.7 Ų40.74%0.04219%0.187CC..Hα-helixtrans-62.8-37-178.2-83.9-67.8000113.3Y40 L124 H141 Y143 L149Y40-H145 HydrophobicContact CE1-CB 4.4Å; L124-H145 HydrophobicContact CD2-CB 3.82Å; H141-H145 AromaticContact CD2-CD2 3.53Å; H141-H145 AromaticContact CE1-CD2 3.47Å; H141-H145 PolarHBondContact CE1-CD2 2.99Å; H141-H145 VanDerWaalsContact CE1-CD2 3.47Å; H141-H145 AromaticContact CE1-NE2 3.13Å; H141-H145 PolarHBondContact CE1-NE2 3.29Å; H141-H145 AromaticContact CG-CD2 3.87Å; H141-H145 AromaticContact ND1-CD2 3.82Å; H141-H145 AromaticContact ND1-NE2 3.66Å; H141-H145 AromaticContact NE2-CD2 3.34Å; H141-H145 PolarHBondContact NE2-CD2 3.45Å; H141-H145 VanDerWaalsContact NE2-CD2 3.34Å; H141-H145 AromaticContact NE2-NE2 3.44Å; H141-H145 PolarHBondContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact O-CD2 2.86Å; H141-H145 PolarHBondContact O-N 3.41Å; Y143-H145 PolarHBondContact O-N 3.3Å; H145-L149 VanDerWaalsContact O-CB 3.31Å; H145-L149 WeakPolarHBondContact O-CB 3.46Å; H145-L149 PolarHBondContact O-N 3.43Å
146I96.9Very high95.4Very high26 Ų2635.8 Ų35.813%0.13316%0.164CC..Hα-helixtrans-67.7-53.9174.2-70.5173.8000110.2Y40 A41 W142 Y143 H144 V148 L149 L150Y40-I146 HydrophobicContact CD1-CD1 3.86Å; Y40-I146 HydrophobicContact CD1-CG1 3.48Å; Y40-I146 VanDerWaalsContact CD1-CG1 3.48Å; Y40-I146 HydrophobicContact CE1-CD1 4.02Å; Y40-I146 HydrophobicContact CE1-CG1 3.64Å; A41-I146 HydrophobicContact CB-CD1 4.29Å; W142-I146 HydrophobicContact CE3-CD1 3.83Å; W142-I146 HydrophobicContact CZ3-CD1 4.12Å; W142-I146 WeakPolarHBondContact O-CG1 3.47Å; W142-I146 PolarHBondContact O-N 3.07Å; Y143-I146 PolarHBondContact O-N 3.39Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 PolarHBondContact O-N 2.97Å; I146-V148 PolarHBondContact O-N 3.29Å; I146-L149 PolarHBondContact O-N 3.07Å; I146-L150 HydrophobicContact CG2-CD1 3.93Å; I146-L150 WeakPolarHBondContact O-CG 3.46Å; I146-L150 PolarHBondContact O-N 3.18Å; I146-L150 VanDerWaalsContact O-N 3.09Å
147T97.1Very high95.4Very high31 Ų3129.3 Ų29.319%0.1914%0.136CC..Hα-helixtrans-68.8-36.4-171.543.50000112.4Y143 H144 Y151 Y242Y143-T147 HydrophobicContact CD2-CG2 4.21Å; Y143-T147 HydrophobicContact CE2-CG2 3.76Å; Y143-T147 PolarHBondContact O-N 3.4Å; Y143-T147 PolarHBondContact O-OG1 3.16Å; H144-T147 PolarHBondContact O-N 3.22Å; H144-T147 PolarHBondContact O-OG1 2.9Å; T147-Y151 VanDerWaalsContact O-CB 3.25Å; T147-Y151 WeakPolarHBondContact O-CB 3.3Å; T147-Y151 PolarHBondContact O-N 2.63Å; T147-Y242 WeakPolarHBondContact CB-OH 3.41Å; T147-Y242 WeakPolarHBondContact OG1-CE1 3.19Å; T147-Y242 PolarHBondContact OG1-OH 3.18Å
148V96.6Very high95.3Very high13 Ų1330 Ų308%0.07914%0.139CC..Hα-helixtrans-69.3-34.5176.379.40000112.2K120 H144 I146 S152 Y242K120-V148 HydrophobicContact CD-CG1 4.34Å; H144-V148 WeakPolarHBondContact O-CB 3.48Å; H144-V148 VanDerWaalsContact O-CG1 3.22Å; H144-V148 WeakPolarHBondContact O-CG1 3.4Å; H144-V148 PolarHBondContact O-N 3.26Å; I146-V148 PolarHBondContact O-N 3.29Å; V148-S152 WeakPolarHBondContact O-CB 3.27Å; V148-S152 PolarHBondContact O-N 2.85Å; V148-S152 PolarHBondContact O-OG 3.09Å; V148-Y242 PolarHBondContact N-OH 2.74Å
149L97.2Very high95.2Very high0 Ų029.4 Ų29.40%014%0.136CC..Hα-helixtrans-64.9-50.3175.2175.162.6000110.7F36 K120 A121 L124 H145 I146 S152 W153F36-L149 HydrophobicContact CB-CD2 3.88Å; K120-L149 HydrophobicContact CB-CB 4.33Å; K120-L149 HydrophobicContact CB-CD1 3.78Å; A121-L149 HydrophobicContact CB-CD1 4.2Å; L124-L149 HydrophobicContact CD1-CD2 3.92Å; L124-L149 HydrophobicContact CD2-CD2 4.49Å; H145-L149 VanDerWaalsContact O-CB 3.31Å; H145-L149 WeakPolarHBondContact O-CB 3.46Å; H145-L149 PolarHBondContact O-N 3.43Å; I146-L149 PolarHBondContact O-N 3.07Å; L149-S152 PolarHBondContact O-OG 2.84Å; L149-W153 HydrophobicContact CD1-CG 4.48Å; L149-W153 PolarHBondContact O-N 3.14Å
150L97.1Very high95.1Very high40 Ų4024.6 Ų24.621%0.20912%0.115CC..Hα-helixtrans-59.6-49.7177.8-66175000111.5F34 I146 Y154F34-L150 HydrophobicContact CB-CD2 4.44Å; F34-L150 HydrophobicContact CD1-CD1 4.45Å; F34-L150 HydrophobicContact CD1-CD2 3.59Å; F34-L150 HydrophobicContact CD2-CD2 4.41Å; F34-L150 HydrophobicContact CE1-CD1 4.3Å; F34-L150 HydrophobicContact CE1-CD2 3.84Å; F34-L150 HydrophobicContact CG-CD2 3.89Å; F34-L150 HydrophobicContact CZ-CD2 4.35Å; I146-L150 HydrophobicContact CG2-CD1 3.93Å; I146-L150 WeakPolarHBondContact O-CG 3.46Å; I146-L150 PolarHBondContact O-N 3.18Å; I146-L150 VanDerWaalsContact O-N 3.09Å; L150-Y154 WeakPolarHBondContact O-CB 3.47Å; L150-Y154 PolarHBondContact O-N 3.4Å
151Y96.6Very high95Very high25 Ų2523.9 Ų23.910%0.09811%0.112CC..Hα-helixtrans-69.8-39.7-175179.3-105000113T147 W153 Y154 S155 W234 S235 M238T147-Y151 VanDerWaalsContact O-CB 3.25Å; T147-Y151 WeakPolarHBondContact O-CB 3.3Å; T147-Y151 PolarHBondContact O-N 2.63Å; Y151-W153 VanDerWaalsContact C-N 3.35Å; Y151-W153 PolarHBondContact O-N 3.48Å; Y151-Y154 PolarHBondContact O-N 2.81Å; Y151-S155 WeakPolarHBondContact O-CB 3.34Å; Y151-S155 PolarHBondContact O-N 3.31Å; Y151-S155 PolarHBondContact O-OG 3.01Å; Y151-W234 HydrophobicContact CD2-CB 4.39Å; Y151-W234 HydrophobicContact CE2-CB 4.46Å; Y151-S235 VanDerWaalsContact CZ-CB 3.49Å; Y151-S235 WeakPolarHBondContact OH-CB 3.46Å; Y151-S235 PolarHBondContact OH-OG 2.87Å; Y151-S235 VanDerWaalsContact OH-OG 3.09Å; Y151-M238 HydrophobicContact CD1-CE 3.32Å; Y151-M238 HydrophobicContact CD1-SD 3.74Å; Y151-M238 HydrophobicContact CE1-CE 3.74Å; Y151-M238 HydrophobicContact CG-CE 3.98Å; Y151-M238 HydrophobicContact CG-SD 3.86Å
152S96.2Very high94.9Very high5 Ų522.2 Ų22.24%0.03511%0.105CC..Hα-helixtrans-64.7-39.2178.257.10000112.2K120 V148 L149 S155 Y156K120-S152 WeakPolarHBondContact CG-OG 3.4Å; V148-S152 WeakPolarHBondContact O-CB 3.27Å; V148-S152 PolarHBondContact O-N 2.85Å; V148-S152 PolarHBondContact O-OG 3.09Å; L149-S152 PolarHBondContact O-OG 2.84Å; S152-S155 PolarHBondContact O-OG 3.5Å; S152-Y156 WeakPolarHBondContact O-CB 3.33Å; S152-Y156 PolarHBondContact O-N 3.25Å; S152-Y156 VanDerWaalsContact O-N 3.09Å
153W96.4Very high94.9Very high5 Ų519.7 Ų19.72%0.01910%0.096CC..Hα-helixtrans-70.5-41.5178.1-76.344.5000111.8W25 M26 W30 K32 F36 V117 L118 L149 Y151W25-W153 AromaticContact CH2-CH2 3.76Å; W25-W153 HydrophobicContact CH2-CH2 3.76Å; W25-W153 HydrophobicContact CH2-CZ3 4.02Å; W25-W153 HydrophobicContact CZ3-CH2 4.03Å; W25-W153 HydrophobicContact CZ3-CZ3 4.1Å; M26-W153 HydrophobicContact CE-CB 3.89Å; M26-W153 HydrophobicContact CE-CD2 3.98Å; M26-W153 HydrophobicContact CE-CE3 4.23Å; M26-W153 HydrophobicContact CE-CG 3.87Å; W30-W153 HydrophobicContact CB-CB 4.34Å; K32-W153 HydrophobicContact CB-CZ3 4.02Å; F36-W153 HydrophobicContact CD2-CH2 4.27Å; F36-W153 AromaticContact CE2-CH2 3.75Å; F36-W153 HydrophobicContact CE2-CH2 3.75Å; F36-W153 HydrophobicContact CE2-CZ2 4.27Å; F36-W153 HydrophobicContact CE2-CZ3 4.37Å; V117-W153 HydrophobicContact CG1-CB 4.4Å; V117-W153 HydrophobicContact CG1-CG 3.88Å; V117-W153 PolarHBondContact O-NE1 3.27Å; L118-W153 HydrophobicContact CD2-CH2 4.49Å; L118-W153 HydrophobicContact CD2-CZ2 4.05Å; L149-W153 HydrophobicContact CD1-CG 4.48Å; L149-W153 PolarHBondContact O-N 3.14Å; Y151-W153 VanDerWaalsContact C-N 3.35Å; Y151-W153 PolarHBondContact O-N 3.48Å
154Y95.1Very high94.8Very high34 Ų3417 Ų1713%0.1339%0.087CC..Hα-helixtrans-63.7-48.2175.6176-117.1000112W30 L150 Y151 K157 N231W30-Y154 HydrophobicContact CE3-CD2 4.13Å; W30-Y154 HydrophobicContact CH2-CD2 4.18Å; W30-Y154 AromaticContact CZ3-CD2 3.88Å; W30-Y154 HydrophobicContact CZ3-CD2 3.88Å; L150-Y154 WeakPolarHBondContact O-CB 3.47Å; L150-Y154 PolarHBondContact O-N 3.4Å; Y151-Y154 PolarHBondContact O-N 2.81Å; Y154-K157 PolarHBondContact O-N 3.36Å; Y154-N231 VanDerWaalsContact CD1-OD1 3.26Å; Y154-N231 WeakPolarHBondContact CD1-OD1 3.47Å; Y154-N231 WeakPolarHBondContact CE1-OD1 3.38Å
155S93.9Very high94.9Very high7 Ų718.1 Ų18.15%0.0499%0.09CC..Hα-helixtrans-73.2-31.5-174.362.10000113.8Y151 S152 D158 M159 V160Y151-S155 WeakPolarHBondContact O-CB 3.34Å; Y151-S155 PolarHBondContact O-N 3.31Å; Y151-S155 PolarHBondContact O-OG 3.01Å; S152-S155 PolarHBondContact O-OG 3.5Å; S155-D158 PolarHBondContact O-N 3.3Å; S155-M159 PolarHBondContact O-N 3.2Å; S155-V160 WeakPolarHBondContact O-CG1 3.19Å; S155-V160 PolarHBondContact O-N 3.36Å
156Y93.6Very high94.8Very high0 Ų018.3 Ų18.30%09%0.091CC..Hα-helixtrans-67.2-38.5174.4-173.8-80.4000112.4I23 M26 Y104 A113 Y114 V117 S152 D158 M159 M167I23-Y156 HydrophobicContact CG1-CE1 4.14Å; M26-Y156 HydrophobicContact CB-CD1 3.68Å; M26-Y156 HydrophobicContact CB-CE1 4.05Å; M26-Y156 HydrophobicContact CE-CD1 4.47Å; M26-Y156 HydrophobicContact CG-CD1 3.46Å; M26-Y156 VanDerWaalsContact CG-CD1 3.46Å; M26-Y156 HydrophobicContact CG-CE1 3.62Å; M26-Y156 HydrophobicContact CG-CG 4.44Å; Y104-Y156 AromaticContact CD1-CD2 3.69Å; Y104-Y156 HydrophobicContact CD1-CD2 3.69Å; Y104-Y156 AromaticContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CG 4.41Å; Y104-Y156 AromaticContact CE1-CD2 3.59Å; Y104-Y156 HydrophobicContact CE1-CD2 3.59Å; Y104-Y156 AromaticContact CE1-CE2 4Å; Y104-Y156 HydrophobicContact CE1-CE2 4Å; Y104-Y156 HydrophobicContact CE1-CG 4.2Å; A113-Y156 HydrophobicContact CB-CE2 3.89Å; Y114-Y156 HydrophobicContact CD2-CE1 4.2Å; V117-Y156 HydrophobicContact CB-CD2 4.44Å; V117-Y156 HydrophobicContact CG2-CD2 3.54Å; V117-Y156 HydrophobicContact CG2-CE2 4.45Å; V117-Y156 HydrophobicContact CG2-CG 3.86Å; S152-Y156 WeakPolarHBondContact O-CB 3.33Å; S152-Y156 PolarHBondContact O-N 3.25Å; S152-Y156 VanDerWaalsContact O-N 3.09Å; Y156-D158 PolarHBondContact O-N 3.01Å; Y156-M159 PolarHBondContact O-N 3.09Å; Y156-M167 HydrophobicContact CD2-CE 4.21Å
157K91.3Very high94.9Very high52 Ų5217.4 Ų17.423%0.2269%0.086CC..Hα-helixtrans-55.2-36.3177.5129.9175.1166.446.30111.7Q27 W30 Y154Q27-K157 HydrophobicContact CG-CB 4.27Å; Q27-K157 HydrophobicContact CG-CG 4.2Å; W30-K157 HydrophobicContact CB-CB 4.48Å; W30-K157 HydrophobicContact CD2-CD 4.26Å; W30-K157 HydrophobicContact CG-CD 3.86Å; Y154-K157 PolarHBondContact O-N 3.36Å
158D89.6Confident94.9Very high29 Ų2916.5 Ų16.516%0.1558%0.081CC..THydrogen-bonded Turntrans-96.32.5-178.2-65.6-20.7000112.7S155 Y156 V160 N231S155-D158 PolarHBondContact O-N 3.3Å; Y156-D158 PolarHBondContact O-N 3.01Å; D158-V160 VanDerWaalsContact C-N 3.29Å; D158-V160 HydrophobicContact CB-CG1 4.15Å; D158-V160 PolarHBondContact O-N 3.5Å; D158-N231 PolarHBondContact OD2-ND2 3.22Å
159M91.7Very high94.9Very high45 Ų4517 Ų1722%0.2228%0.083CC..THydrogen-bonded Turntrans45.752.2-177.7-63.1-179.6-71.100112.3I23 Q101 Y104 S155 Y156 A161I23-M159 HydrophobicContact CD1-SD 3.62Å; I23-M159 HydrophobicContact CG1-SD 4.27Å; Q101-M159 WeakPolarHBondContact CG-O 3.49Å; Q101-M159 PolarHBondContact NE2-O 2.87Å; Y104-M159 HydrophobicContact CD1-CB 4.5Å; Y104-M159 HydrophobicContact CD1-CG 4.2Å; Y104-M159 HydrophobicContact CD2-CB 3.71Å; Y104-M159 HydrophobicContact CD2-CG 4.09Å; Y104-M159 VanDerWaalsContact CE2-C 3.43Å; Y104-M159 HydrophobicContact CE2-CB 3.91Å; Y104-M159 HydrophobicContact CG-CB 4.03Å; Y104-M159 HydrophobicContact CG-CG 3.88Å; S155-M159 PolarHBondContact O-N 3.2Å; Y156-M159 PolarHBondContact O-N 3.09Å; M159-A161 PolarHBondContact O-N 2.65Å
160V92Very high95Very high6 Ų617.4 Ų17.44%0.0368%0.084CC..  trans-59.7140-169.5-62.30000112.5Y104 S155 D158 G163 N231Y104-V160 PolarHBondContact OH-N 3.13Å; Y104-V160 PolarHBondContact OH-O 3.45Å; S155-V160 WeakPolarHBondContact O-CG1 3.19Å; S155-V160 PolarHBondContact O-N 3.36Å; D158-V160 VanDerWaalsContact C-N 3.29Å; D158-V160 HydrophobicContact CB-CG1 4.15Å; D158-V160 PolarHBondContact O-N 3.5Å; V160-G163 PolarHBondContact O-N 3.41Å; V160-G163 VanDerWaalsContact O-N 3.16Å; V160-N231 HydrophobicContact CG1-CB 3.69Å
161A92.5Very high95Very high3 Ų315.6 Ų15.63%0.0258%0.075CC..THydrogen-bonded Turntrans-55.6144.216500000110.5M159 G163 V216M159-A161 PolarHBondContact O-N 2.65Å; A161-G163 PolarHBondContact O-N 3.37Å; A161-V216 HydrophobicContact CB-CG1 4.01Å; A161-V216 HydrophobicContact CB-CG2 4.24Å
162G93.6Very high95.1Very high2 Ų216.8 Ų16.82%0.0219%0.087CC..THydrogen-bonded Turntrans82.8-11.5-173.600000114.2V98 G164 W165 F166V98-G162 WeakPolarHBondContact O-CA 3.34Å; V98-G162 PolarHBondContact O-N 3.25Å; G162-G164 VanDerWaalsContact C-N 3.33Å; G162-G164 PolarHBondContact O-N 3.39Å; G162-W165 WeakPolarHBondContact O-CB 3.48Å; G162-W165 PolarHBondContact O-N 3.34Å; G162-W165 VanDerWaalsContact O-N 3.08Å; G162-F166 VanDerWaalsContact O-CD2 3.22Å; G162-F166 WeakPolarHBondContact O-CD2 3.21Å; G162-F166 WeakPolarHBondContact O-CG 3.49Å; G162-F166 PolarHBondContact O-N 2.99Å
163G94.4Very high95.2Very high3 Ų317.1 Ų17.13%0.0319%0.089CC..Hα-helixtrans-51.6-46.3179.900000113.7V160 A161 W165 F166 M167V160-G163 PolarHBondContact O-N 3.41Å; V160-G163 VanDerWaalsContact O-N 3.16Å; A161-G163 PolarHBondContact O-N 3.37Å; G163-W165 VanDerWaalsContact C-N 3.31Å; G163-W165 PolarHBondContact O-N 3.09Å; G163-F166 PolarHBondContact O-N 3Å; G163-M167 WeakPolarHBondContact O-CB 2.94Å; G163-M167 VanDerWaalsContact O-CG 3.27Å; G163-M167 WeakPolarHBondContact O-CG 3.26Å; G163-M167 PolarHBondContact O-N 3.1Å
164G95.9Very high95.3Very high3 Ų317.4 Ų17.43%0.0319%0.09CC..Hα-helixtrans-58.1-39.6178.500000113.8G162 T168G162-G164 VanDerWaalsContact C-N 3.33Å; G162-G164 PolarHBondContact O-N 3.39Å; G164-T168 WeakPolarHBondContact O-CB 3.3Å; G164-T168 PolarHBondContact O-N 2.99Å; G164-T168 PolarHBondContact O-OG1 2.9Å
165W97.3Very high95.4Very high43 Ų4316.3 Ų16.316%0.1639%0.088CC..Hα-helixtrans-67.9-48.5174.1-81.5103.1000111.8M85 L89 L94 S97 G162 G163 M167 T168 M169 I212M85-W165 HydrophobicContact CE-CB 4.48Å; M85-W165 HydrophobicContact CE-CD2 3.76Å; M85-W165 HydrophobicContact CE-CG 3.65Å; M85-W165 HydrophobicContact CE-CZ2 4.28Å; M85-W165 VanDerWaalsContact CE-NE1 3.29Å; L89-W165 HydrophobicContact CD1-CZ2 4.39Å; L89-W165 HydrophobicContact CD2-CH2 4.05Å; L89-W165 HydrophobicContact CD2-CZ2 4.16Å; L94-W165 HydrophobicContact CD1-CZ2 4.31Å; S97-W165 PolarHBondContact OG-NE1 3.41Å; S97-W165 VanDerWaalsContact OG-NE1 3.14Å; G162-W165 WeakPolarHBondContact O-CB 3.48Å; G162-W165 PolarHBondContact O-N 3.34Å; G162-W165 VanDerWaalsContact O-N 3.08Å; G163-W165 VanDerWaalsContact C-N 3.31Å; G163-W165 PolarHBondContact O-N 3.09Å; W165-M167 PolarHBondContact O-N 3.29Å; W165-T168 PolarHBondContact O-N 3.43Å; W165-M169 HydrophobicContact CB-CE 4.19Å; W165-M169 HydrophobicContact CE3-CG 4.5Å; W165-M169 WeakPolarHBondContact O-CB 3.37Å; W165-M169 WeakPolarHBondContact O-CE 3.31Å; W165-M169 VanDerWaalsContact O-CG 3.26Å; W165-M169 WeakPolarHBondContact O-CG 3.37Å; W165-M169 PolarHBondContact O-N 3.19Å; W165-I212 HydrophobicContact CB-CD1 4.06Å; W165-I212 HydrophobicContact CB-CG1 4.07Å; W165-I212 HydrophobicContact CB-CG2 4.32Å; W165-I212 HydrophobicContact CD2-CD1 4.05Å; W165-I212 HydrophobicContact CG-CD1 3.73Å; W165-I212 HydrophobicContact CG-CG1 4.29Å
166F96.9Very high95.6Very high13 Ų1318.3 Ų18.36%0.05710%0.1CC..Hα-helixtrans-58.8-46.1-179.9-61.4-42.3000112.2G162 G163 M169 N170 I212 N213 Y239G162-F166 VanDerWaalsContact O-CD2 3.22Å; G162-F166 WeakPolarHBondContact O-CD2 3.21Å; G162-F166 WeakPolarHBondContact O-CG 3.49Å; G162-F166 PolarHBondContact O-N 2.99Å; G163-F166 PolarHBondContact O-N 3Å; F166-M169 HydrophobicContact CD1-CE 4.29Å; F166-N170 WeakPolarHBondContact O-CB 3.28Å; F166-N170 PolarHBondContact O-N 3.3Å; F166-N170 VanDerWaalsContact O-N 3.09Å; F166-I212 HydrophobicContact CD1-CG2 4.44Å; F166-I212 HydrophobicContact CE1-CB 3.77Å; F166-I212 HydrophobicContact CE1-CG2 3.68Å; F166-I212 HydrophobicContact CE2-CG2 4.3Å; F166-I212 HydrophobicContact CZ-CB 4.07Å; F166-I212 HydrophobicContact CZ-CG2 3.58Å; F166-N213 VanDerWaalsContact CZ-OD1 3.3Å; F166-N213 WeakPolarHBondContact CZ-OD1 3.33Å; F166-Y239 WeakPolarHBondContact CB-OH 3.39Å; F166-Y239 HydrophobicContact CD1-CE1 4.49Å; F166-Y239 AromaticContact CD1-CE2 3.63Å; F166-Y239 HydrophobicContact CD1-CE2 3.63Å; F166-Y239 AromaticContact CD1-CZ 3.53Å; F166-Y239 WeakPolarHBondContact CD1-OH 3.33Å; F166-Y239 HydrophobicContact CE1-CD2 4.39Å; F166-Y239 AromaticContact CE1-CE2 3.74Å; F166-Y239 HydrophobicContact CE1-CE2 3.74Å; F166-Y239 HydrophobicContact CG-CE2 4.14Å; F166-Y239 HydrophobicContact CZ-CE2 4.35Å
167M97.6Very high95.7Very high6 Ų618.9 Ų18.93%0.0310%0.103CC..Hα-helixtrans-67.6-47.5180-64.5-179.9-170.900111.5F103 Y104 A113 F116 V117 Y156 G163 W165 M169 N170 Y171F103-M167 HydrophobicContact CD1-SD 4.38Å; F103-M167 HydrophobicContact CE1-CB 4.36Å; F103-M167 HydrophobicContact CE1-SD 3.65Å; F103-M167 HydrophobicContact CZ-CB 4.42Å; Y104-M167 HydrophobicContact CE1-CE 3.75Å; A113-M167 HydrophobicContact CB-SD 4.02Å; F116-M167 HydrophobicContact CB-SD 4.4Å; F116-M167 HydrophobicContact CD1-CB 4.32Å; F116-M167 HydrophobicContact CD1-CE 4.33Å; F116-M167 HydrophobicContact CD1-CG 3.61Å; F116-M167 HydrophobicContact CD1-SD 4.09Å; F116-M167 HydrophobicContact CD2-CB 4.22Å; F116-M167 HydrophobicContact CD2-CG 4.38Å; F116-M167 HydrophobicContact CE1-CB 4.44Å; F116-M167 HydrophobicContact CE1-CG 3.77Å; F116-M167 HydrophobicContact CE2-CB 4.32Å; F116-M167 HydrophobicContact CE2-CG 4.49Å; F116-M167 HydrophobicContact CG-CB 4.2Å; F116-M167 HydrophobicContact CG-CG 3.94Å; F116-M167 HydrophobicContact CG-SD 4.33Å; F116-M167 HydrophobicContact CZ-CB 4.43Å; F116-M167 HydrophobicContact CZ-CG 4.21Å; V117-M167 HydrophobicContact CG2-CE 4.18Å; Y156-M167 HydrophobicContact CD2-CE 4.21Å; G163-M167 WeakPolarHBondContact O-CB 2.94Å; G163-M167 VanDerWaalsContact O-CG 3.27Å; G163-M167 WeakPolarHBondContact O-CG 3.26Å; G163-M167 PolarHBondContact O-N 3.1Å; W165-M167 PolarHBondContact O-N 3.29Å; M167-M169 PolarHBondContact O-N 3.22Å; M167-N170 PolarHBondContact O-N 3.01Å; M167-Y171 WeakPolarHBondContact O-CB 3.27Å; M167-Y171 WeakPolarHBondContact O-CD2 3.46Å; M167-Y171 PolarHBondContact O-N 3.15Å
168T97.4Very high96Very high12 Ų1216.5 Ų16.57%0.0749%0.092CC..Hα-helixtrans-64.1-43.1-178.2-60.70000112.3T81 M85 G164 W165 Y171 S172T81-T168 VanDerWaalsContact CB-OG1 3.26Å; T81-T168 WeakPolarHBondContact CB-OG1 3.49Å; T81-T168 WeakPolarHBondContact OG1-CB 3.29Å; T81-T168 PolarHBondContact OG1-OG1 3.17Å; M85-T168 HydrophobicContact CG-CG2 4.24Å; M85-T168 WeakPolarHBondContact CG-OG1 3.36Å; G164-T168 WeakPolarHBondContact O-CB 3.3Å; G164-T168 PolarHBondContact O-N 2.99Å; G164-T168 PolarHBondContact O-OG1 2.9Å; W165-T168 PolarHBondContact O-N 3.43Å; T168-Y171 PolarHBondContact O-N 3.23Å; T168-S172 WeakPolarHBondContact O-CB 3.1Å; T168-S172 PolarHBondContact O-N 3.15Å; T168-S172 PolarHBondContact O-OG 3.26Å
169M97.6Very high96.4Very high25 Ų2516.9 Ų16.912%0.12310%0.098CC..Hα-helixtrans-64.1-42.8175.5-68.6-173.8-70.300111.3W165 F166 M167 S172 V173 Q205 M208 I212W165-M169 HydrophobicContact CB-CE 4.19Å; W165-M169 HydrophobicContact CE3-CG 4.5Å; W165-M169 WeakPolarHBondContact O-CB 3.37Å; W165-M169 WeakPolarHBondContact O-CE 3.31Å; W165-M169 VanDerWaalsContact O-CG 3.26Å; W165-M169 WeakPolarHBondContact O-CG 3.37Å; W165-M169 PolarHBondContact O-N 3.19Å; F166-M169 HydrophobicContact CD1-CE 4.29Å; M167-M169 PolarHBondContact O-N 3.22Å; M169-S172 PolarHBondContact O-N 3.4Å; M169-V173 WeakPolarHBondContact O-CG2 3.27Å; M169-V173 PolarHBondContact O-N 3.26Å; M169-Q205 HydrophobicContact CB-CG 4.09Å; M169-M208 HydrophobicContact CE-CB 4.14Å; M169-M208 HydrophobicContact SD-CB 3.48Å; M169-M208 WeakPolarHBondContact SD-CB 3.45Å; M169-M208 HydrophobicContact SD-CG 4.26Å; M169-I212 HydrophobicContact CE-CG1 4.33Å
170N98.1Very high96.6Very high7 Ų716.4 Ų16.44%0.0379%0.094CC..Hα-helixtrans-63.8-45.8178-176-101.2000111.7F116 K120 F166 M167 S172 V173 H174F116-N170 HydrophobicContact CE2-CB 3.7Å; F116-N170 WeakPolarHBondContact CE2-OD1 3.31Å; F116-N170 HydrophobicContact CZ-CB 3.82Å; F116-N170 WeakPolarHBondContact CZ-OD1 3.21Å; K120-N170 PolarHBondContact NZ-OD1 2.98Å; F166-N170 WeakPolarHBondContact O-CB 3.28Å; F166-N170 PolarHBondContact O-N 3.3Å; F166-N170 VanDerWaalsContact O-N 3.09Å; M167-N170 PolarHBondContact O-N 3.01Å; N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 3.25Å; N170-V173 PolarHBondContact O-N 3.38Å; N170-H174 PolarHBondContact ND2-CD2 3.41Å; N170-H174 PolarHBondContact ND2-NE2 3.15Å; N170-H174 VanDerWaalsContact ND2-NE2 3.16Å; N170-H174 VanDerWaalsContact O-CB 3.24Å; N170-H174 WeakPolarHBondContact O-CB 3.39Å; N170-H174 PolarHBondContact O-CD2 3.18Å; N170-H174 PolarHBondContact O-N 3Å
171Y98.2Very high96.7Very high2 Ų220.8 Ų20.81%0.00811%0.11CC..Hα-helixtrans-55.6-45174.2-89-51000112F73 T81 W112 F116 M167 T168 H174 A175F73-Y171 HydrophobicContact CD1-CE1 4.12Å; F73-Y171 AromaticContact CE1-CE1 3.56Å; F73-Y171 HydrophobicContact CE1-CE1 3.56Å; F73-Y171 AromaticContact CZ-CE1 3.9Å; F73-Y171 HydrophobicContact CZ-CE1 3.9Å; F73-Y171 VanDerWaalsContact CZ-OH 3.26Å; F73-Y171 WeakPolarHBondContact CZ-OH 3.26Å; T81-Y171 HydrophobicContact CG2-CD2 4.25Å; T81-Y171 HydrophobicContact CG2-CE2 4.22Å; W112-Y171 PolarHBondContact O-OH 3.27Å; W112-Y171 VanDerWaalsContact O-OH 3.1Å; F116-Y171 VanDerWaalsContact CA-OH 3.27Å; F116-Y171 WeakPolarHBondContact CA-OH 3.34Å; F116-Y171 HydrophobicContact CB-CE2 3.78Å; F116-Y171 WeakPolarHBondContact CB-OH 3.47Å; F116-Y171 HydrophobicContact CD2-CD1 4.31Å; F116-Y171 AromaticContact CD2-CD2 3.88Å; F116-Y171 HydrophobicContact CD2-CD2 3.88Å; F116-Y171 HydrophobicContact CD2-CE1 4.05Å; F116-Y171 AromaticContact CD2-CE2 3.57Å; F116-Y171 HydrophobicContact CD2-CE2 3.57Å; F116-Y171 HydrophobicContact CD2-CG 4.24Å; F116-Y171 AromaticContact CD2-CZ 3.67Å; F116-Y171 HydrophobicContact CG-CE2 4.11Å; F116-Y171 PolarHBondContact N-OH 3.17Å; M167-Y171 WeakPolarHBondContact O-CB 3.27Å; M167-Y171 WeakPolarHBondContact O-CD2 3.46Å; M167-Y171 PolarHBondContact O-N 3.15Å; T168-Y171 PolarHBondContact O-N 3.23Å; Y171-H174 PolarHBondContact O-N 3.19Å; Y171-A175 VanDerWaalsContact O-CB 3.29Å; Y171-A175 WeakPolarHBondContact O-CB 3.41Å; Y171-A175 PolarHBondContact O-N 2.72Å
172S98.1Very high96.9Very high50 Ų5021 Ų2135%0.3511%0.112SC..Hα-helixtrans-62.8-46-179.4-58.30000111.9T168 M169 N170 V176T168-S172 WeakPolarHBondContact O-CB 3.1Å; T168-S172 PolarHBondContact O-N 3.15Å; T168-S172 PolarHBondContact O-OG 3.26Å; M169-S172 PolarHBondContact O-N 3.4Å; N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 3.25Å; S172-V176 PolarHBondContact O-N 3.11Å
173V97.9Very high97Very high13 Ų1324.9 Ų24.98%0.07913%0.132CC..Hα-helixtrans-69.5-41177.9173.30000111.4M169 N170 A175 V176 M177 Q202 Q205M169-V173 WeakPolarHBondContact O-CG2 3.27Å; M169-V173 PolarHBondContact O-N 3.26Å; N170-V173 PolarHBondContact O-N 3.38Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 2.85Å; V173-V176 PolarHBondContact O-N 3.37Å; V173-M177 WeakPolarHBondContact O-CB 3.43Å; V173-M177 PolarHBondContact O-N 3.48Å; V173-Q202 HydrophobicContact CG1-CG 3.5Å; V173-Q205 HydrophobicContact CG2-CB 4.1Å; V173-Q205 HydrophobicContact CG2-CG 4.46Å
174H97.7Very high96.9Very high10 Ų1030.5 Ų30.55%0.04615%0.152CC..Hα-helixtrans-65.2-36177.6-82.8-144.4000112E123 N170 Y171 V176 M177 Y178E123-H174 IonicContact OE1-ND1 3.35Å; E123-H174 IonicContact OE2-CE1 3.24Å; E123-H174 PolarHBondContact OE2-CE1 3.44Å; E123-H174 IonicContact OE2-ND1 2.89Å; N170-H174 PolarHBondContact ND2-CD2 3.41Å; N170-H174 PolarHBondContact ND2-NE2 3.15Å; N170-H174 VanDerWaalsContact ND2-NE2 3.16Å; N170-H174 VanDerWaalsContact O-CB 3.24Å; N170-H174 WeakPolarHBondContact O-CB 3.39Å; N170-H174 PolarHBondContact O-CD2 3.18Å; N170-H174 PolarHBondContact O-N 3Å; Y171-H174 PolarHBondContact O-N 3.19Å; H174-V176 VanDerWaalsContact C-N 3.33Å; H174-V176 PolarHBondContact O-N 3.48Å; H174-M177 PolarHBondContact O-N 3.49Å; H174-Y178 HydrophobicContact CB-CD2 4Å; H174-Y178 HydrophobicContact CB-CE2 4.15Å; H174-Y178 AromaticContact ND1-CE2 3.54Å; H174-Y178 WeakPolarHBondContact O-CB 3.38Å; H174-Y178 WeakPolarHBondContact O-CD2 3.16Å; H174-Y178 PolarHBondContact O-N 3.39Å
175A98Very high96.7Very high11 Ų1130.9 Ų30.99%0.09116%0.155CC..Hα-helixtrans-56.1-48.1173.400000111.3I75 Y171 V173 S179I75-A175 HydrophobicContact CB-CB 4.48Å; I75-A175 HydrophobicContact CG1-CB 3.7Å; Y171-A175 VanDerWaalsContact O-CB 3.29Å; Y171-A175 WeakPolarHBondContact O-CB 3.41Å; Y171-A175 PolarHBondContact O-N 2.72Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 2.85Å; A175-S179 VanDerWaalsContact O-CB 3.23Å; A175-S179 WeakPolarHBondContact O-CB 3.39Å; A175-S179 PolarHBondContact O-N 3.04Å; A175-S179 PolarHBondContact O-OG 3.23Å
176V97.4Very high96.5Very high49 Ų4931 Ų3130%0.29717%0.165SC..Hα-helixtrans-70.5-44.7178.5-175.60000111.3S172 V173 H174 Y180 F194 F197 I198S172-V176 PolarHBondContact O-N 3.11Å; V173-V176 PolarHBondContact O-N 3.37Å; H174-V176 VanDerWaalsContact C-N 3.33Å; H174-V176 PolarHBondContact O-N 3.48Å; V176-Y180 PolarHBondContact O-N 2.82Å; V176-F194 HydrophobicContact CG1-CE1 4.31Å; V176-F194 HydrophobicContact CG1-CZ 3.97Å; V176-F197 HydrophobicContact CG1-CE1 4.49Å; V176-I198 HydrophobicContact CG1-CG1 3.97Å
177M97.3Very high96.2Very high13 Ų1332.3 Ų32.36%0.06418%0.182CC..Hα-helixtrans-63.5-48.8-177.9-176.2-171.571.700112.5V173 H174 Y180 Y181 I198 Q202V173-M177 WeakPolarHBondContact O-CB 3.43Å; V173-M177 PolarHBondContact O-N 3.48Å; H174-M177 PolarHBondContact O-N 3.49Å; M177-Y180 WeakPolarHBondContact O-CB 3.22Å; M177-Y180 PolarHBondContact O-N 2.78Å; M177-Y181 HydrophobicContact CE-CE2 4Å; M177-Y181 HydrophobicContact CG-CD2 4.17Å; M177-Y181 HydrophobicContact CG-CE1 4.38Å; M177-Y181 HydrophobicContact CG-CE2 3.56Å; M177-Y181 PolarHBondContact O-N 3.34Å; M177-Y181 HydrophobicContact SD-CE2 3.81Å; M177-I198 HydrophobicContact CB-CG2 4.12Å; M177-I198 HydrophobicContact CG-CG2 4.22Å; M177-Q202 PolarHBondContact SD-NE2 3.15Å
178Y97.6Very high96Very high1 Ų138.2 Ų38.20%0.00421%0.208CC..Hα-helixtrans-71.6-33.7-179.9-77.8-62.4000112.3L70 D126 H174 Y180 Y181 A182L70-Y178 HydrophobicContact CB-CD1 3.85Å; L70-Y178 HydrophobicContact CB-CD2 3.75Å; L70-Y178 HydrophobicContact CB-CE1 4.09Å; L70-Y178 HydrophobicContact CB-CE2 3.96Å; L70-Y178 HydrophobicContact CB-CG 3.7Å; L70-Y178 HydrophobicContact CD1-CD1 4.03Å; L70-Y178 HydrophobicContact CD1-CE1 3.45Å; L70-Y178 VanDerWaalsContact CD1-CE1 3.45Å; L70-Y178 HydrophobicContact CD1-CE2 4.1Å; L70-Y178 HydrophobicContact CG-CE1 4.43Å; D126-Y178 VanDerWaalsContact OD2-CE1 3.3Å; D126-Y178 WeakPolarHBondContact OD2-CE1 3.42Å; D126-Y178 PolarHBondContact OD2-OH 2.9Å; H174-Y178 HydrophobicContact CB-CD2 4Å; H174-Y178 HydrophobicContact CB-CE2 4.15Å; H174-Y178 AromaticContact ND1-CE2 3.54Å; H174-Y178 WeakPolarHBondContact O-CB 3.38Å; H174-Y178 WeakPolarHBondContact O-CD2 3.16Å; H174-Y178 PolarHBondContact O-N 3.39Å; Y178-Y180 VanDerWaalsContact C-N 3.28Å; Y178-Y180 PolarHBondContact O-N 2.9Å; Y178-Y181 HydrophobicContact CD1-CD2 4.01Å; Y178-Y181 HydrophobicContact CE1-CD2 4.29Å; Y178-Y181 PolarHBondContact O-N 3.41Å; Y178-A182 WeakPolarHBondContact O-CB 3.36Å; Y178-A182 PolarHBondContact O-N 3.41Å
179S96.9Very high95.5Very high38 Ų3849.3 Ų49.327%0.26625%0.248SC..Hα-helixtrans-58.4-43.6170.4-63.70000110.9A175 A182 L183A175-S179 VanDerWaalsContact O-CB 3.23Å; A175-S179 WeakPolarHBondContact O-CB 3.39Å; A175-S179 PolarHBondContact O-N 3.04Å; A175-S179 PolarHBondContact O-OG 3.23Å; S179-A182 PolarHBondContact O-N 3.35Å; S179-L183 VanDerWaalsContact O-CG 3.31Å; S179-L183 WeakPolarHBondContact O-CG 3.26Å; S179-L183 PolarHBondContact O-N 3.09Å
180Y96.3Very high95.1Very high34 Ų3449.6 Ų49.613%0.13325%0.251CS..Hα-helixtrans-61.3-45.4173.4172.2-101.8000112.7V176 M177 Y178 L183 R184 V190 F194 A195 I198V176-Y180 PolarHBondContact O-N 2.82Å; M177-Y180 WeakPolarHBondContact O-CB 3.22Å; M177-Y180 PolarHBondContact O-N 2.78Å; Y178-Y180 VanDerWaalsContact C-N 3.28Å; Y178-Y180 PolarHBondContact O-N 2.9Å; Y180-L183 PolarHBondContact O-N 3.46Å; Y180-R184 HydrophobicContact CD1-CG 4.27Å; Y180-R184 HydrophobicContact CD2-CG 4.1Å; Y180-R184 HydrophobicContact CE1-CG 3.87Å; Y180-R184 HydrophobicContact CE2-CG 3.72Å; Y180-R184 HydrophobicContact CG-CG 4.37Å; Y180-R184 WeakPolarHBondContact O-CB 3.48Å; Y180-R184 VanDerWaalsContact O-CG 3.24Å; Y180-R184 WeakPolarHBondContact O-CG 3.45Å; Y180-R184 PolarHBondContact O-N 2.87Å; Y180-V190 HydrophobicContact CD2-CB 4.01Å; Y180-V190 HydrophobicContact CD2-CG1 3.7Å; Y180-V190 HydrophobicContact CD2-CG2 4.25Å; Y180-V190 HydrophobicContact CE2-CB 3.64Å; Y180-V190 HydrophobicContact CE2-CG1 3.59Å; Y180-V190 HydrophobicContact CE2-CG2 4.27Å; Y180-F194 AromaticContact CD2-CD1 3.59Å; Y180-F194 HydrophobicContact CD2-CD1 3.59Å; Y180-F194 HydrophobicContact CD2-CE1 4.04Å; Y180-F194 HydrophobicContact CE2-CD1 4.24Å; Y180-F194 HydrophobicContact CG-CD1 4.34Å; Y180-F194 HydrophobicContact CG-CE1 4.45Å; Y180-A195 HydrophobicContact CE2-CB 4.38Å; Y180-I198 HydrophobicContact CD1-CD1 3.77Å; Y180-I198 HydrophobicContact CD2-CD1 3.87Å; Y180-I198 HydrophobicContact CG-CD1 3.4Å; Y180-I198 VanDerWaalsContact CG-CD1 3.4Å
181Y94.3Very high94.6Very high99 Ų9952.6 Ų52.639%0.38827%0.273SS..Hα-helixtrans-64.3-40.3178.1-66.6-20.5000112.7M177 Y178 R184 A185M177-Y181 HydrophobicContact CE-CE2 4Å; M177-Y181 HydrophobicContact CG-CD2 4.17Å; M177-Y181 HydrophobicContact CG-CE1 4.38Å; M177-Y181 HydrophobicContact CG-CE2 3.56Å; M177-Y181 PolarHBondContact O-N 3.34Å; M177-Y181 HydrophobicContact SD-CE2 3.81Å; Y178-Y181 HydrophobicContact CD1-CD2 4.01Å; Y178-Y181 HydrophobicContact CE1-CD2 4.29Å; Y178-Y181 PolarHBondContact O-N 3.41Å; Y181-R184 PolarHBondContact O-N 2.97Å; Y181-A185 VanDerWaalsContact O-CB 3.22Å; Y181-A185 WeakPolarHBondContact O-CB 3.44Å; Y181-A185 PolarHBondContact O-N 2.69Å
182A95.8Very high94.1Very high8 Ų858.5 Ų58.57%0.06630%0.295CS..Hα-helixtrans-60.4-48.3174.900000111.3L68 Y178 S179 R184 A185 A186L68-A182 HydrophobicContact CB-CB 4.27Å; Y178-A182 WeakPolarHBondContact O-CB 3.36Å; Y178-A182 PolarHBondContact O-N 3.41Å; S179-A182 PolarHBondContact O-N 3.35Å; A182-R184 PolarHBondContact O-N 3.46Å; A182-A185 PolarHBondContact O-N 2.85Å; A182-A186 WeakPolarHBondContact O-CB 3.38Å; A182-A186 PolarHBondContact O-N 3.21Å
183L95.4Very high93.7Very high82 Ų8264.4 Ų64.443%0.42931%0.314SS..Hα-helixtrans-61.8-44.9177.2-70.8173.2000112.2S179 Y180 A186 G187 F188 V190S179-L183 VanDerWaalsContact O-CG 3.31Å; S179-L183 WeakPolarHBondContact O-CG 3.26Å; S179-L183 PolarHBondContact O-N 3.09Å; Y180-L183 PolarHBondContact O-N 3.46Å; L183-A186 PolarHBondContact O-N 3.42Å; L183-G187 PolarHBondContact O-N 2.99Å; L183-F188 HydrophobicContact CB-CB 4.48Å; L183-F188 HydrophobicContact CD2-CD2 4.01Å; L183-F188 HydrophobicContact CD2-CE2 4.48Å; L183-F188 PolarHBondContact O-N 3.43Å; L183-V190 HydrophobicContact CB-CG2 4.05Å
184R92.9Very high93.5Very high122 Ų12267.8 Ų67.846%0.4633%0.328SS..Hα-helixtrans-63.8-41.1177.3-73.4-68-60.7-173.72.1111.9Y180 Y181 A182 A186 G187 V190Y180-R184 HydrophobicContact CD1-CG 4.27Å; Y180-R184 HydrophobicContact CD2-CG 4.1Å; Y180-R184 HydrophobicContact CE1-CG 3.87Å; Y180-R184 HydrophobicContact CE2-CG 3.72Å; Y180-R184 HydrophobicContact CG-CG 4.37Å; Y180-R184 WeakPolarHBondContact O-CB 3.48Å; Y180-R184 VanDerWaalsContact O-CG 3.24Å; Y180-R184 WeakPolarHBondContact O-CG 3.45Å; Y180-R184 PolarHBondContact O-N 2.87Å; Y181-R184 PolarHBondContact O-N 2.97Å; A182-R184 PolarHBondContact O-N 3.46Å; R184-A186 VanDerWaalsContact C-N 3.34Å; R184-G187 PolarHBondContact O-N 3.27Å; R184-V190 HydrophobicContact CG-CB 4.48Å; R184-V190 HydrophobicContact CG-CG2 4.18Å
185A92.3Very high93.1Very high11 Ų1168 Ų689%0.09133%0.332CS..Hα-helixtrans-68.6-33.6176.800000111.7R60 L63 V64 Y181 A182 G187R60-A185 WeakPolarHBondContact CG-O 3.32Å; R60-A185 PolarHBondContact NE-O 3.4Å; L63-A185 HydrophobicContact CD2-CB 4.08Å; L63-A185 HydrophobicContact CG-CB 4Å; V64-A185 HydrophobicContact CB-CB 4.43Å; V64-A185 HydrophobicContact CG2-CB 3.48Å; V64-A185 VanDerWaalsContact CG2-CB 3.48Å; V64-A185 WeakPolarHBondContact CG2-O 3.36Å; Y181-A185 VanDerWaalsContact O-CB 3.22Å; Y181-A185 WeakPolarHBondContact O-CB 3.44Å; Y181-A185 PolarHBondContact O-N 2.69Å; A182-A185 PolarHBondContact O-N 2.85Å; A185-G187 PolarHBondContact O-N 3.4Å
186A93.3Very high92.9Very high46 Ų4670.1 Ų70.138%0.3834%0.34SS..Hα-helixtrans-69.1-22.7175.900000112R60 V64 A182 L183 R184 F188R60-A186 VanDerWaalsContact NH2-C 3.35Å; R60-A186 PolarHBondContact NH2-O 3.23Å; V64-A186 HydrophobicContact CG1-CB 4.41Å; V64-A186 HydrophobicContact CG2-CB 4.19Å; V64-A186 VanDerWaalsContact CG2-N 3.32Å; A182-A186 WeakPolarHBondContact O-CB 3.38Å; A182-A186 PolarHBondContact O-N 3.21Å; L183-A186 PolarHBondContact O-N 3.42Å; R184-A186 VanDerWaalsContact C-N 3.34Å; A186-F188 HydrophobicContact CB-CD2 3.84Å; A186-F188 HydrophobicContact CB-CE2 3.91Å
187G90.9Very high92.8Very high39 Ų3973.3 Ų73.340%0.40235%0.35SS..THydrogen-bonded Turntrans1142.5175.500000114.9L183 R184 A185 R189L183-G187 PolarHBondContact O-N 2.99Å; R184-G187 PolarHBondContact O-N 3.27Å; A185-G187 PolarHBondContact O-N 3.4Å; G187-R189 PolarHBondContact O-N 3.24Å
188F91.8Very high92.8Very high131 Ų13173 Ų7358%0.57535%0.349SS*.  trans-69.3132.7177.2-65.4-80.9000110.1L183 A186 V190L183-F188 HydrophobicContact CB-CB 4.48Å; L183-F188 HydrophobicContact CD2-CD2 4.01Å; L183-F188 HydrophobicContact CD2-CE2 4.48Å; L183-F188 PolarHBondContact O-N 3.43Å; A186-F188 HydrophobicContact CB-CD2 3.84Å; A186-F188 HydrophobicContact CB-CE2 3.91Å; F188-V190 PolarHBondContact O-N 3.42Å
189R87.2Confident92.6Very high244 Ų24473.2 Ų73.292%0.92135%0.351SS*.  trans-78.989.1174.4-69.1-175.7-178.9179.61.1109.3G187G187-R189 PolarHBondContact O-N 3.24Å
190V89.2Confident92.6Very high32 Ų3275 Ų7519%0.19436%0.357CS..  trans-80.5138.8173.7-1690000110.6Y180 L183 R184 F188 F194Y180-V190 HydrophobicContact CD2-CB 4.01Å; Y180-V190 HydrophobicContact CD2-CG1 3.7Å; Y180-V190 HydrophobicContact CD2-CG2 4.25Å; Y180-V190 HydrophobicContact CE2-CB 3.64Å; Y180-V190 HydrophobicContact CE2-CG1 3.59Å; Y180-V190 HydrophobicContact CE2-CG2 4.27Å; L183-V190 HydrophobicContact CB-CG2 4.05Å; R184-V190 HydrophobicContact CG-CB 4.48Å; R184-V190 HydrophobicContact CG-CG2 4.18Å; F188-V190 PolarHBondContact O-N 3.42Å; V190-F194 HydrophobicContact CG1-CB 3.88Å; V190-F194 HydrophobicContact CG1-CD1 3.86Å; V190-F194 HydrophobicContact CG1-CG 4.07Å
191S88.7Confident92.7Very high69 Ų6974.7 Ų74.748%0.48336%0.359SS..  trans-62.6145.2-177.9178.20000113.1K193 F194 A195S191-K193 PolarHBondContact O-N 3.42Å; S191-K193 PolarHBondContact OG-N 3.48Å; S191-F194 WeakPolarHBondContact O-CB 3.47Å; S191-F194 PolarHBondContact O-N 3.5Å; S191-F194 VanDerWaalsContact O-N 3.07Å; S191-A195 PolarHBondContact O-N 3.04Å
192R87.2Confident92.8Very high126 Ų12670.9 Ų70.948%0.47535%0.345SS..Hα-helixtrans-59.4-30.7173.4-173177.9-177.8-167.4-1.9112.4F194 A195 M196 A253 Y254R192-F194 VanDerWaalsContact C-N 3.25Å; R192-F194 PolarHBondContact O-N 3.41Å; R192-A195 PolarHBondContact O-N 3.44Å; R192-M196 PolarHBondContact O-N 3.33Å; R192-A253 PolarHBondContact NH2-O 3.38Å; R192-Y254 HydrophobicContact CG-CE1 4.29Å
193K89.8Confident92.9Very high174 Ų17471.4 Ų71.476%0.75735%0.347SS*.Hα-helixtrans-61.4-36.3176.2-64.7-174.5179.9-178.20111.5S191 M196 F197S191-K193 PolarHBondContact O-N 3.42Å; S191-K193 PolarHBondContact OG-N 3.48Å; K193-M196 WeakPolarHBondContact O-CB 3.41Å; K193-M196 PolarHBondContact O-N 3.36Å; K193-F197 PolarHBondContact O-N 2.99Å
194F92.6Very high93Very high84 Ų8471.2 Ų71.237%0.36835%0.349SS..Hα-helixtrans-71.4-40.6177.8-163.8-99.2000111.9V176 Y180 V190 S191 R192 M196 F197 I198V176-F194 HydrophobicContact CG1-CE1 4.31Å; V176-F194 HydrophobicContact CG1-CZ 3.97Å; Y180-F194 AromaticContact CD2-CD1 3.59Å; Y180-F194 HydrophobicContact CD2-CD1 3.59Å; Y180-F194 HydrophobicContact CD2-CE1 4.04Å; Y180-F194 HydrophobicContact CE2-CD1 4.24Å; Y180-F194 HydrophobicContact CG-CD1 4.34Å; Y180-F194 HydrophobicContact CG-CE1 4.45Å; V190-F194 HydrophobicContact CG1-CB 3.88Å; V190-F194 HydrophobicContact CG1-CD1 3.86Å; V190-F194 HydrophobicContact CG1-CG 4.07Å; S191-F194 WeakPolarHBondContact O-CB 3.47Å; S191-F194 PolarHBondContact O-N 3.5Å; S191-F194 VanDerWaalsContact O-N 3.07Å; R192-F194 VanDerWaalsContact C-N 3.25Å; R192-F194 PolarHBondContact O-N 3.41Å; F194-M196 VanDerWaalsContact C-N 3.27Å; F194-M196 PolarHBondContact O-N 3.31Å; F194-F197 WeakPolarHBondContact O-CB 3.48Å; F194-F197 PolarHBondContact O-N 3.41Å; F194-I198 HydrophobicContact CD1-CD1 3.77Å; F194-I198 HydrophobicContact CD1-CG1 4.34Å; F194-I198 HydrophobicContact CE1-CD1 3.75Å; F194-I198 HydrophobicContact CE1-CG1 4.24Å; F194-I198 WeakPolarHBondContact O-CG1 3.45Å; F194-I198 PolarHBondContact O-N 2.77Å
195A91.2Very high93.2Very high15 Ų1566 Ų6612%0.12433%0.33CS..Hα-helixtrans-59.8-39.8172.300000111.8Y180 S191 R192 I198 T199 Y254Y180-A195 HydrophobicContact CE2-CB 4.38Å; S191-A195 PolarHBondContact O-N 3.04Å; R192-A195 PolarHBondContact O-N 3.44Å; A195-I198 PolarHBondContact O-N 2.94Å; A195-T199 PolarHBondContact O-N 3.15Å; A195-T199 VanDerWaalsContact O-N 3.09Å; A195-T199 PolarHBondContact O-OG1 3.01Å; A195-T199 VanDerWaalsContact O-OG1 3.1Å; A195-Y254 PolarHBondContact O-OH 3.24Å; A195-Y254 VanDerWaalsContact O-OH 3.09Å
196M93.4Very high93.4Very high55 Ų5565.6 Ų65.627%0.27133%0.326SS..Hα-helixtrans-64-44.5174.9-173.5-173.7-71.700111.8R192 K193 F194 I198 T199 L200 F250 Y254R192-M196 PolarHBondContact O-N 3.33Å; K193-M196 WeakPolarHBondContact O-CB 3.41Å; K193-M196 PolarHBondContact O-N 3.36Å; F194-M196 VanDerWaalsContact C-N 3.27Å; F194-M196 PolarHBondContact O-N 3.31Å; M196-I198 VanDerWaalsContact C-N 3.31Å; M196-I198 PolarHBondContact O-N 3.37Å; M196-T199 PolarHBondContact O-N 2.72Å; M196-L200 HydrophobicContact CG-CD1 4.27Å; M196-L200 WeakPolarHBondContact O-CG 3.4Å; M196-L200 PolarHBondContact O-N 2.86Å; M196-F250 HydrophobicContact CG-CE2 3.66Å; M196-F250 HydrophobicContact CG-CZ 4.07Å; M196-F250 HydrophobicContact SD-CZ 4.43Å; M196-Y254 HydrophobicContact CB-CD1 4.14Å; M196-Y254 HydrophobicContact CB-CE1 3.81Å; M196-Y254 HydrophobicContact CE-CD1 3.6Å; M196-Y254 HydrophobicContact CE-CE1 4.38Å; M196-Y254 HydrophobicContact CE-CG 3.92Å; M196-Y254 HydrophobicContact CG-CD1 4.25Å; M196-Y254 HydrophobicContact CG-CE1 4.35Å; M196-Y254 HydrophobicContact CG-CG 4.36Å; M196-Y254 PolarHBondContact N-OH 3.44Å
197F95.4Very high93.6Very high116 Ų11667.4 Ų67.451%0.50933%0.329SS..Hα-helixtrans-57-43.4174.5173.3-99.7000112V176 K193 F194 T199 L200 S201V176-F197 HydrophobicContact CG1-CE1 4.49Å; K193-F197 PolarHBondContact O-N 2.99Å; F194-F197 WeakPolarHBondContact O-CB 3.48Å; F194-F197 PolarHBondContact O-N 3.41Å; F197-T199 PolarHBondContact O-N 3.04Å; F197-L200 PolarHBondContact O-N 2.91Å; F197-S201 PolarHBondContact O-N 2.86Å
198I95.8Very high93.9Very high6 Ų669.1 Ų69.13%0.03133%0.328CS..Hα-helixtrans-60.3-48.9175.8-66.2164.8000110.5V176 M177 Y180 F194 A195 M196 L200 S201 Q202V176-I198 HydrophobicContact CG1-CG1 3.97Å; M177-I198 HydrophobicContact CB-CG2 4.12Å; M177-I198 HydrophobicContact CG-CG2 4.22Å; Y180-I198 HydrophobicContact CD1-CD1 3.77Å; Y180-I198 HydrophobicContact CD2-CD1 3.87Å; Y180-I198 HydrophobicContact CG-CD1 3.4Å; Y180-I198 VanDerWaalsContact CG-CD1 3.4Å; F194-I198 HydrophobicContact CD1-CD1 3.77Å; F194-I198 HydrophobicContact CD1-CG1 4.34Å; F194-I198 HydrophobicContact CE1-CD1 3.75Å; F194-I198 HydrophobicContact CE1-CG1 4.24Å; F194-I198 WeakPolarHBondContact O-CG1 3.45Å; F194-I198 PolarHBondContact O-N 2.77Å; A195-I198 PolarHBondContact O-N 2.94Å; M196-I198 VanDerWaalsContact C-N 3.31Å; M196-I198 PolarHBondContact O-N 3.37Å; I198-L200 VanDerWaalsContact C-N 3.29Å; I198-L200 PolarHBondContact O-N 3.27Å; I198-S201 PolarHBondContact O-N 3.12Å; I198-S201 VanDerWaalsContact O-N 3.13Å; I198-S201 PolarHBondContact O-OG 3.37Å; I198-Q202 WeakPolarHBondContact O-CG 3.42Å; I198-Q202 PolarHBondContact O-N 2.95Å
199T95.2Very high94.2Very high7 Ų762.9 Ų62.94%0.04330%0.3CS..Hα-helixtrans-62-37.7179.1-48.50000111.9A195 M196 F197 Q202 I203 F249 F250 Y254A195-T199 PolarHBondContact O-N 3.15Å; A195-T199 VanDerWaalsContact O-N 3.09Å; A195-T199 PolarHBondContact O-OG1 3.01Å; A195-T199 VanDerWaalsContact O-OG1 3.1Å; M196-T199 PolarHBondContact O-N 2.72Å; F197-T199 PolarHBondContact O-N 3.04Å; T199-Q202 PolarHBondContact O-N 3.28Å; T199-I203 WeakPolarHBondContact O-CG1 3.17Å; T199-I203 PolarHBondContact O-N 3.31Å; T199-F249 HydrophobicContact CG2-CD1 3.82Å; T199-F249 HydrophobicContact CG2-CE1 3.98Å; T199-F250 HydrophobicContact CG2-CB 4.19Å; T199-F250 HydrophobicContact CG2-CD2 3.84Å; T199-Y254 HydrophobicContact CG2-CE2 4.2Å; T199-Y254 PolarHBondContact OG1-OH 2.97Å
200L96.2Very high94.6Very high75 Ų7553 Ų5339%0.39327%0.268SS..Hα-helixtrans-64.4-43.3173.8-71.5170.7000111.5M196 F197 I198 Q202 I203 T204 F250M196-L200 HydrophobicContact CG-CD1 4.27Å; M196-L200 WeakPolarHBondContact O-CG 3.4Å; M196-L200 PolarHBondContact O-N 2.86Å; F197-L200 PolarHBondContact O-N 2.91Å; I198-L200 VanDerWaalsContact C-N 3.29Å; I198-L200 PolarHBondContact O-N 3.27Å; L200-Q202 VanDerWaalsContact C-N 3.27Å; L200-Q202 PolarHBondContact O-N 2.89Å; L200-I203 PolarHBondContact O-N 3.08Å; L200-I203 VanDerWaalsContact O-N 3.13Å; L200-T204 PolarHBondContact O-N 3.18Å; L200-T204 PolarHBondContact O-OG1 3.44Å; L200-F250 HydrophobicContact CD1-CE2 4.43Å; L200-F250 HydrophobicContact CD2-CD2 4.24Å; L200-F250 HydrophobicContact CD2-CE2 3.6Å; L200-F250 HydrophobicContact CD2-CZ 3.79Å; L200-F250 HydrophobicContact CG-CE2 3.75Å; L200-F250 HydrophobicContact CG-CZ 4.25Å
201S97.3Very high95Very high27 Ų2754.9 Ų54.919%0.18928%0.279CS..Hα-helixtrans-60.9-36.6176.875.70000112.4F197 I198 T204 Q205F197-S201 PolarHBondContact O-N 2.86Å; I198-S201 PolarHBondContact O-N 3.12Å; I198-S201 VanDerWaalsContact O-N 3.13Å; I198-S201 PolarHBondContact O-OG 3.37Å; S201-T204 PolarHBondContact O-N 3.4Å; S201-Q205 WeakPolarHBondContact O-CB 3.3Å; S201-Q205 PolarHBondContact O-N 3.31Å
202Q97.4Very high95.4Very high19 Ų1951.8 Ų51.89%0.08926%0.257CS..Hα-helixtrans-65.5-42.9173.5-71.3171.6-3900111.9V173 M177 I198 T199 L200 Q205 M206 F246V173-Q202 HydrophobicContact CG1-CG 3.5Å; M177-Q202 PolarHBondContact SD-NE2 3.15Å; I198-Q202 WeakPolarHBondContact O-CG 3.42Å; I198-Q202 PolarHBondContact O-N 2.95Å; T199-Q202 PolarHBondContact O-N 3.28Å; L200-Q202 VanDerWaalsContact C-N 3.27Å; L200-Q202 PolarHBondContact O-N 2.89Å; Q202-Q205 WeakPolarHBondContact O-CB 3.48Å; Q202-Q205 PolarHBondContact O-N 2.91Å; Q202-M206 WeakPolarHBondContact O-CG 3.38Å; Q202-M206 PolarHBondContact O-N 3.1Å; Q202-M206 VanDerWaalsContact O-N 3.08Å; Q202-F246 HydrophobicContact CB-CD1 4.05Å; Q202-F246 HydrophobicContact CB-CE1 3.88Å; Q202-F246 HydrophobicContact CB-CZ 4.26Å; Q202-F246 HydrophobicContact CG-CE1 4.23Å; Q202-F246 HydrophobicContact CG-CZ 4.49Å; Q202-F246 VanDerWaalsContact OE1-CE1 3.22Å
203I97.3Very high95.8Very high19 Ų1946 Ų4610%0.09724%0.236CC..Hα-helixtrans-62.6-46.2175.5-69.2166.5000110.5T199 L200 Q205 M206 L207 L243 F246 F250T199-I203 WeakPolarHBondContact O-CG1 3.17Å; T199-I203 PolarHBondContact O-N 3.31Å; L200-I203 PolarHBondContact O-N 3.08Å; L200-I203 VanDerWaalsContact O-N 3.13Å; I203-Q205 VanDerWaalsContact C-N 3.3Å; I203-Q205 PolarHBondContact O-N 3.41Å; I203-M206 PolarHBondContact O-N 2.89Å; I203-M206 VanDerWaalsContact O-N 3.07Å; I203-L207 HydrophobicContact CG2-CD1 4.2Å; I203-L207 PolarHBondContact O-N 3.28Å; I203-L243 HydrophobicContact CG2-CD1 4Å; I203-F246 HydrophobicContact CG1-CB 3.79Å; I203-F250 HydrophobicContact CD1-CB 3.83Å; I203-F250 HydrophobicContact CD1-CD2 4.21Å; I203-F250 HydrophobicContact CD1-CG 4.08Å
204T97.4Very high96.1Very high79 Ų7944.7 Ų44.749%0.48523%0.227SC..Hα-helixtrans-59.8-41176.3-58.50000111.4L200 S201 M206 L207 M208L200-T204 PolarHBondContact O-N 3.18Å; L200-T204 PolarHBondContact O-OG1 3.44Å; S201-T204 PolarHBondContact O-N 3.4Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 3.16Å; T204-L207 PolarHBondContact O-N 3.06Å; T204-M208 HydrophobicContact CG2-CG 4.32Å; T204-M208 WeakPolarHBondContact O-CB 3.5Å; T204-M208 WeakPolarHBondContact O-CG 3.45Å; T204-M208 PolarHBondContact O-N 2.89Å
205Q97.8Very high96.3Very high13 Ų1342.1 Ų42.16%0.06122%0.217CC..Hα-helixtrans-57.9-42.7173.4-179.5-157.4-44.700111.6M169 V173 S201 Q202 I203 G209M169-Q205 HydrophobicContact CB-CG 4.09Å; V173-Q205 HydrophobicContact CG2-CB 4.1Å; V173-Q205 HydrophobicContact CG2-CG 4.46Å; S201-Q205 WeakPolarHBondContact O-CB 3.3Å; S201-Q205 PolarHBondContact O-N 3.31Å; Q202-Q205 WeakPolarHBondContact O-CB 3.48Å; Q202-Q205 PolarHBondContact O-N 2.91Å; I203-Q205 VanDerWaalsContact C-N 3.3Å; I203-Q205 PolarHBondContact O-N 3.41Å; Q205-G209 PolarHBondContact O-N 3.46Å
206M97.4Very high96.4Very high2 Ų241.5 Ų41.51%0.0121%0.212CC..Hα-helixtrans-67.3-41.7179.1-59.1-48.7137.800112.3Q202 I203 T204 G209 C210 Y239 Y242 L243 F246Q202-M206 WeakPolarHBondContact O-CG 3.38Å; Q202-M206 PolarHBondContact O-N 3.1Å; Q202-M206 VanDerWaalsContact O-N 3.08Å; I203-M206 PolarHBondContact O-N 2.89Å; I203-M206 VanDerWaalsContact O-N 3.07Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 3.16Å; M206-G209 PolarHBondContact O-N 3.13Å; M206-C210 PolarHBondContact O-N 3.07Å; M206-C210 PolarHBondContact O-SG 3.08Å; M206-Y239 HydrophobicContact SD-CD1 3.7Å; M206-Y239 HydrophobicContact SD-CE1 3.91Å; M206-Y242 HydrophobicContact CE-CD2 4.32Å; M206-Y242 VanDerWaalsContact SD-CB 3.53Å; M206-Y242 HydrophobicContact SD-CD2 3.68Å; M206-Y242 HydrophobicContact SD-CG 4.13Å; M206-L243 HydrophobicContact CB-CB 3.9Å; M206-L243 HydrophobicContact CB-CD1 4.14Å; M206-F246 HydrophobicContact CE-CE2 4.26Å; M206-F246 HydrophobicContact CG-CD2 4.29Å
207L97.4Very high96.5Very high83 Ų8341.9 Ų41.944%0.43521%0.212SC..Hα-helixtrans-60.3-49.3175-72170.5000111.6I203 T204 G209 C210 V211 L243I203-L207 HydrophobicContact CG2-CD1 4.2Å; I203-L207 PolarHBondContact O-N 3.28Å; T204-L207 PolarHBondContact O-N 3.06Å; L207-G209 VanDerWaalsContact C-N 3.25Å; L207-G209 PolarHBondContact O-N 3.34Å; L207-C210 WeakPolarHBondContact O-CB 3.16Å; L207-C210 PolarHBondContact O-N 3.14Å; L207-C210 VanDerWaalsContact O-N 3.16Å; L207-V211 WeakPolarHBondContact O-CG2 3.39Å; L207-V211 PolarHBondContact O-N 3.05Å; L207-L243 HydrophobicContact CD2-CD1 3.7Å; L207-L243 HydrophobicContact CD2-CD2 3.53Å; L207-L243 HydrophobicContact CD2-CG 4.27Å; L207-L243 HydrophobicContact CG-CD1 3.7Å; L207-L243 HydrophobicContact CG-CD2 4.36Å
208M96.9Very high96.4Very high76 Ų7641.1 Ų41.137%0.37421%0.207SC..Hα-helixtrans-60.6-37.9176.1-71-60-62.600111.2M169 T204 C210 V211 I212M169-M208 HydrophobicContact CE-CB 4.14Å; M169-M208 HydrophobicContact SD-CB 3.48Å; M169-M208 WeakPolarHBondContact SD-CB 3.45Å; M169-M208 HydrophobicContact SD-CG 4.26Å; T204-M208 HydrophobicContact CG2-CG 4.32Å; T204-M208 WeakPolarHBondContact O-CB 3.5Å; T204-M208 WeakPolarHBondContact O-CG 3.45Å; T204-M208 PolarHBondContact O-N 2.89Å; M208-C210 PolarHBondContact O-N 3.1Å; M208-V211 PolarHBondContact O-N 3.24Å; M208-I212 VanDerWaalsContact O-CG1 3.31Å; M208-I212 WeakPolarHBondContact O-CG1 3.49Å; M208-I212 PolarHBondContact O-N 3.02Å
209G96.7Very high96.3Very high0 Ų042.6 Ų42.60%021%0.212CC..Hα-helixtrans-59.4-43.617400000113.3Q205 M206 L207 I212 N213Q205-G209 PolarHBondContact O-N 3.46Å; M206-G209 PolarHBondContact O-N 3.13Å; L207-G209 VanDerWaalsContact C-N 3.25Å; L207-G209 PolarHBondContact O-N 3.34Å; G209-I212 PolarHBondContact O-N 3.23Å; G209-N213 PolarHBondContact O-N 3.24Å; G209-N213 PolarHBondContact O-ND2 3.37Å
210C97.4Very high96.1Very high36 Ų3644.1 Ų44.124%0.24322%0.219CC..Hα-helixtrans-61.7-41.8173-65.90000112.2M206 L207 M208 N213 Y214M206-C210 PolarHBondContact O-N 3.07Å; M206-C210 PolarHBondContact O-SG 3.08Å; L207-C210 WeakPolarHBondContact O-CB 3.16Å; L207-C210 PolarHBondContact O-N 3.14Å; L207-C210 VanDerWaalsContact O-N 3.16Å; M208-C210 PolarHBondContact O-N 3.1Å; C210-N213 PolarHBondContact O-N 3.44Å; C210-Y214 PolarHBondContact O-N 2.97Å
211V97.3Very high95.6Very high71 Ų7146.1 Ų46.143%0.4323%0.226SC..Hα-helixtrans-62.8-46.1176.9173.70000111.1L207 M208 N213 Y214 L215L207-V211 WeakPolarHBondContact O-CG2 3.39Å; L207-V211 PolarHBondContact O-N 3.05Å; M208-V211 PolarHBondContact O-N 3.24Å; V211-N213 PolarHBondContact O-N 2.94Å; V211-Y214 WeakPolarHBondContact O-CB 3.18Å; V211-Y214 PolarHBondContact O-N 2.88Å; V211-L215 HydrophobicContact CG1-CD1 4.1Å; V211-L215 HydrophobicContact CG1-CG 4.37Å; V211-L215 WeakPolarHBondContact O-CG 3.2Å; V211-L215 PolarHBondContact O-N 3.48Å
212I96.8Very high95.1Very high4 Ų449.4 Ų49.42%0.02124%0.238CC..Hα-helixtrans-61.4-43.8177.5-64.4-65.3000110.8V98 W165 F166 M169 M208 G209 Y214 L215 V216V98-I212 HydrophobicContact CG1-CG2 4.27Å; V98-I212 HydrophobicContact CG2-CD1 3.85Å; W165-I212 HydrophobicContact CB-CD1 4.06Å; W165-I212 HydrophobicContact CB-CG1 4.07Å; W165-I212 HydrophobicContact CB-CG2 4.32Å; W165-I212 HydrophobicContact CD2-CD1 4.05Å; W165-I212 HydrophobicContact CG-CD1 3.73Å; W165-I212 HydrophobicContact CG-CG1 4.29Å; F166-I212 HydrophobicContact CD1-CG2 4.44Å; F166-I212 HydrophobicContact CE1-CB 3.77Å; F166-I212 HydrophobicContact CE1-CG2 3.68Å; F166-I212 HydrophobicContact CE2-CG2 4.3Å; F166-I212 HydrophobicContact CZ-CB 4.07Å; F166-I212 HydrophobicContact CZ-CG2 3.58Å; M169-I212 HydrophobicContact CE-CG1 4.33Å; M208-I212 VanDerWaalsContact O-CG1 3.31Å; M208-I212 WeakPolarHBondContact O-CG1 3.49Å; M208-I212 PolarHBondContact O-N 3.02Å; G209-I212 PolarHBondContact O-N 3.23Å; I212-Y214 VanDerWaalsContact C-N 3.34Å; I212-Y214 PolarHBondContact O-N 3.43Å; I212-L215 PolarHBondContact O-N 3.07Å; I212-V216 HydrophobicContact CG2-CG2 4.34Å; I212-V216 WeakPolarHBondContact O-CG2 3.42Å; I212-V216 PolarHBondContact O-N 2.99Å
213N96Very high94.2Very high5 Ų555.8 Ų55.83%0.02727%0.273CS..Hα-helixtrans-58.9-43.9175.3-81.5-39.7000112.5F166 G209 C210 V211 V216 F217 S235F166-N213 VanDerWaalsContact CZ-OD1 3.3Å; F166-N213 WeakPolarHBondContact CZ-OD1 3.33Å; G209-N213 PolarHBondContact O-N 3.24Å; G209-N213 PolarHBondContact O-ND2 3.37Å; C210-N213 PolarHBondContact O-N 3.44Å; V211-N213 PolarHBondContact O-N 2.94Å; N213-V216 PolarHBondContact O-N 3.3Å; N213-F217 WeakPolarHBondContact O-CB 3.17Å; N213-F217 PolarHBondContact O-N 3.06Å; N213-S235 VanDerWaalsContact CG-OG 3.25Å; N213-S235 PolarHBondContact ND2-OG 3.11Å; N213-S235 WeakPolarHBondContact OD1-CB 3.29Å; N213-S235 PolarHBondContact OD1-OG 3.39Å
214Y95.6Very high93.3Very high147 Ų14759.9 Ų59.958%0.57629%0.292SS*.Hα-helixtrans-61.1-44.7175.3170.7-99.4000111.9C210 V211 I212 F217 Y218C210-Y214 PolarHBondContact O-N 2.97Å; V211-Y214 WeakPolarHBondContact O-CB 3.18Å; V211-Y214 PolarHBondContact O-N 2.88Å; I212-Y214 VanDerWaalsContact C-N 3.34Å; I212-Y214 PolarHBondContact O-N 3.43Å; Y214-F217 WeakPolarHBondContact O-CB 3.48Å; Y214-F217 PolarHBondContact O-N 3.41Å; Y214-Y218 WeakPolarHBondContact O-CB 3.46Å; Y214-Y218 PolarHBondContact O-N 3.43Å
215L95.6Very high92.7Very high29 Ų2956.6 Ų56.615%0.15227%0.272CS..Hα-helixtrans-63.8-43.6178.5-71.2176.9000112.3L94 V98 V211 I212 F217 Y218 W219L94-L215 HydrophobicContact CD2-CD1 4.32Å; V98-L215 HydrophobicContact CG1-CB 4.39Å; V98-L215 HydrophobicContact CG2-CD1 4.48Å; V211-L215 HydrophobicContact CG1-CD1 4.1Å; V211-L215 HydrophobicContact CG1-CG 4.37Å; V211-L215 WeakPolarHBondContact O-CG 3.2Å; V211-L215 PolarHBondContact O-N 3.48Å; I212-L215 PolarHBondContact O-N 3.07Å; L215-F217 VanDerWaalsContact C-N 3.33Å; L215-F217 PolarHBondContact O-N 3.3Å; L215-Y218 PolarHBondContact O-N 3.42Å; L215-W219 HydrophobicContact CB-CE3 4.01Å; L215-W219 HydrophobicContact CB-CH2 4.07Å; L215-W219 HydrophobicContact CB-CZ3 3.63Å; L215-W219 HydrophobicContact CD1-CH2 4.05Å; L215-W219 HydrophobicContact CD1-CZ3 4.21Å; L215-W219 HydrophobicContact CD2-CH2 3.92Å; L215-W219 HydrophobicContact CD2-CZ2 4.13Å; L215-W219 HydrophobicContact CD2-CZ3 4.35Å; L215-W219 HydrophobicContact CG-CH2 4.24Å; L215-W219 HydrophobicContact CG-CZ3 4.28Å; L215-W219 PolarHBondContact O-N 2.86Å
216V94.6Very high92Very high2 Ų262.2 Ų62.21%0.01230%0.298CS..Hα-helixtrans-59.5-46.7174.4173.30000110.1V98 A161 I212 N213 W219 M220 I232V98-V216 HydrophobicContact CG1-CG2 3.45Å; V98-V216 VanDerWaalsContact CG1-CG2 3.45Å; A161-V216 HydrophobicContact CB-CG1 4.01Å; A161-V216 HydrophobicContact CB-CG2 4.24Å; I212-V216 HydrophobicContact CG2-CG2 4.34Å; I212-V216 WeakPolarHBondContact O-CG2 3.42Å; I212-V216 PolarHBondContact O-N 2.99Å; N213-V216 PolarHBondContact O-N 3.3Å; V216-W219 PolarHBondContact O-N 2.75Å; V216-M220 WeakPolarHBondContact O-CB 3.3Å; V216-M220 PolarHBondContact O-N 3.47Å; V216-I232 HydrophobicContact CG1-CD1 3.8Å; V216-I232 HydrophobicContact CG1-CG1 4.03Å
217F94.2Very high91.5Very high63 Ų6362.9 Ų62.928%0.27630%0.303SS..Hα-helixtrans-60.4-47177.5-179.2-108.2000112.5N213 Y214 L215 M220 Q221 F229 I232N213-F217 WeakPolarHBondContact O-CB 3.17Å; N213-F217 PolarHBondContact O-N 3.06Å; Y214-F217 WeakPolarHBondContact O-CB 3.48Å; Y214-F217 PolarHBondContact O-N 3.41Å; L215-F217 VanDerWaalsContact C-N 3.33Å; L215-F217 PolarHBondContact O-N 3.3Å; F217-M220 HydrophobicContact CD2-CE 4.08Å; F217-M220 HydrophobicContact CE2-CE 4.36Å; F217-M220 PolarHBondContact O-N 2.89Å; F217-Q221 PolarHBondContact O-N 3.17Å; F217-F229 HydrophobicContact CE2-CD2 4.08Å; F217-F229 AromaticContact CE2-CE2 3.91Å; F217-F229 HydrophobicContact CE2-CE2 3.91Å; F217-I232 HydrophobicContact CB-CD1 4.42Å; F217-I232 HydrophobicContact CB-CG2 4.1Å; F217-I232 HydrophobicContact CD2-CD1 4.47Å; F217-I232 HydrophobicContact CD2-CG2 4.39Å
218Y93.8Very high90.9Very high101 Ų10163 Ų6340%0.39630%0.301SS..Hα-helixtrans-61.7-45.3179.7177.9-101.5000112.1Y214 L215 Q221 H222Y214-Y218 WeakPolarHBondContact O-CB 3.46Å; Y214-Y218 PolarHBondContact O-N 3.43Å; L215-Y218 PolarHBondContact O-N 3.42Å; Y218-Q221 PolarHBondContact O-N 2.71Å; Y218-H222 AromaticContact CE2-CE1 3.63Å; Y218-H222 AromaticContact CZ-CE1 3.69Å; Y218-H222 PolarHBondContact O-ND1 3.3Å
219W93.5Very high90.5Very high36 Ų3665.3 Ų65.314%0.13631%0.309CS..Hα-helixtrans-77-24.3179.3-68.1-38.3000113.9L94 K95 V98 L215 V216 Q221 H222 Q224 C225L94-W219 HydrophobicContact CD2-CH2 4.41Å; L94-W219 HydrophobicContact CG-CH2 4.18Å; K95-W219 VanDerWaalsContact CA-CH2 3.46Å; K95-W219 HydrophobicContact CB-CD2 4.37Å; K95-W219 HydrophobicContact CB-CE3 4.49Å; K95-W219 HydrophobicContact CB-CH2 3.96Å; K95-W219 HydrophobicContact CB-CZ2 3.78Å; K95-W219 HydrophobicContact CB-CZ3 4.32Å; K95-W219 HydrophobicContact CG-CD2 3.83Å; K95-W219 HydrophobicContact CG-CE3 4.16Å; K95-W219 HydrophobicContact CG-CG 4.25Å; K95-W219 HydrophobicContact CG-CH2 4.46Å; K95-W219 HydrophobicContact CG-CZ2 4.12Å; K95-W219 HydrophobicContact CG-CZ3 4.48Å; V98-W219 HydrophobicContact CB-CE3 4.19Å; V98-W219 HydrophobicContact CB-CZ3 3.57Å; V98-W219 HydrophobicContact CG1-CE3 4.07Å; V98-W219 HydrophobicContact CG1-CZ3 3.76Å; V98-W219 HydrophobicContact CG2-CH2 4.49Å; V98-W219 HydrophobicContact CG2-CZ3 3.84Å; L215-W219 HydrophobicContact CB-CE3 4.01Å; L215-W219 HydrophobicContact CB-CH2 4.07Å; L215-W219 HydrophobicContact CB-CZ3 3.63Å; L215-W219 HydrophobicContact CD1-CH2 4.05Å; L215-W219 HydrophobicContact CD1-CZ3 4.21Å; L215-W219 HydrophobicContact CD2-CH2 3.92Å; L215-W219 HydrophobicContact CD2-CZ2 4.13Å; L215-W219 HydrophobicContact CD2-CZ3 4.35Å; L215-W219 HydrophobicContact CG-CH2 4.24Å; L215-W219 HydrophobicContact CG-CZ3 4.28Å; L215-W219 PolarHBondContact O-N 2.86Å; V216-W219 PolarHBondContact O-N 2.75Å; W219-Q221 VanDerWaalsContact C-N 3.34Å; W219-H222 PolarHBondContact O-N 2.94Å; W219-Q224 HydrophobicContact CB-CB 4.41Å; W219-Q224 PolarHBondContact O-N 3.1Å; W219-Q224 VanDerWaalsContact O-N 3.07Å; W219-C225 HydrophobicContact CB-CB 3.85Å
220M91.3Very high90.3Very high39 Ų3971.3 Ų71.319%0.19234%0.337CS..Hα-helixtrans-63.8-39.4171-175.2-172.975.400111.3V216 F217 H222 D223 I232V216-M220 WeakPolarHBondContact O-CB 3.3Å; V216-M220 PolarHBondContact O-N 3.47Å; F217-M220 HydrophobicContact CD2-CE 4.08Å; F217-M220 HydrophobicContact CE2-CE 4.36Å; F217-M220 PolarHBondContact O-N 2.89Å; M220-H222 PolarHBondContact O-N 2.94Å; M220-D223 PolarHBondContact O-N 2.93Å; M220-I232 HydrophobicContact CE-CD1 3.95Å; M220-I232 HydrophobicContact SD-CD1 3.58Å; M220-I232 VanDerWaalsContact SD-CD1 3.58Å
221Q87.1Confident90Very high118 Ų11869.7 Ų69.755%0.55133%0.326SS*.THydrogen-bonded Turntrans-65.3-19.9178.1-71.5-175.7-9.500114.4F217 Y218 W219F217-Q221 PolarHBondContact O-N 3.17Å; Y218-Q221 PolarHBondContact O-N 2.71Å; W219-Q221 VanDerWaalsContact C-N 3.34Å
222H85.9Confident89.8Confident95 Ų9566.8 Ų66.844%0.4431%0.308SS..THydrogen-bonded Turntrans-100.514.2-179.9-65.182.7000112.3Y218 W219 M220 Q224Y218-H222 AromaticContact CE2-CE1 3.63Å; Y218-H222 AromaticContact CZ-CE1 3.69Å; Y218-H222 PolarHBondContact O-ND1 3.3Å; W219-H222 PolarHBondContact O-N 2.94Å; M220-H222 PolarHBondContact O-N 2.94Å; H222-Q224 HydrophobicContact CB-CG 3.89Å; H222-Q224 VanDerWaalsContact O-CG 3.26Å; H222-Q224 WeakPolarHBondContact O-CG 3.4Å; H222-Q224 PolarHBondContact O-N 3.3Å; H222-Q224 VanDerWaalsContact O-N 3.16Å; H222-Q224 PolarHBondContact O-NE2 2.95Å
223D78.7Confident89.7Confident154 Ų15471.6 Ų71.682%0.82433%0.329SS*.THydrogen-bonded Turntrans55.429.1-175.1-63.4-50000113.7M220M220-D223 PolarHBondContact O-N 2.93Å
224Q78.3Confident89.7Confident105 Ų10577.7 Ų77.749%0.49135%0.352SS..SBendtrans-104.3-3.6-177.4-57.2-58.8-65.500113.6W219 H222W219-Q224 HydrophobicContact CB-CB 4.41Å; W219-Q224 PolarHBondContact O-N 3.1Å; W219-Q224 VanDerWaalsContact O-N 3.07Å; H222-Q224 HydrophobicContact CB-CG 3.89Å; H222-Q224 VanDerWaalsContact O-CG 3.26Å; H222-Q224 WeakPolarHBondContact O-CG 3.4Å; H222-Q224 PolarHBondContact O-N 3.3Å; H222-Q224 VanDerWaalsContact O-N 3.16Å; H222-Q224 PolarHBondContact O-NE2 2.95Å
225C84.8Confident89.7Confident10 Ų1070.7 Ų70.77%0.06833%0.325CS..SBendtrans-150112.1-171.8-1530000109.4C99 W219 S227C99-C225 VanDerWaalsContact CA-SG 3.53Å; C99-C225 HydrophobicContact CB-CB 3.99Å; C99-C225 WeakPolarHBondContact CB-SG 3.47Å; C99-C225 WeakPolarHBondContact SG-CB 3.24Å; C99-C225 CovalentContact SG-SG 2.04Å; C99-C225 PolarHBondContact SG-SG 2.9Å; W219-C225 HydrophobicContact CB-CB 3.85Å; C225-S227 PolarHBondContact O-N 3.2Å
226H83.8Confident89.7Confident130 Ų13071.4 Ų71.460%0.60233%0.332SS*.  trans-77.4116.7176.3-166.572.1000109.8
227S85.1Confident89.8Confident17 Ų1775.4 Ų75.412%0.11935%0.353CS..  trans-157.3167.8177-165.80000110.2C225C225-S227 PolarHBondContact O-N 3.2Å
228H86.6Confident89.9Confident84 Ų8473.1 Ų73.139%0.38934%0.343SS..  trans-106.4131.5177.7-60.9-69.9000110.8Q230 N231 I232H228-Q230 PolarHBondContact O-N 2.88Å; H228-N231 HydrophobicContact CB-CB 4.38Å; H228-N231 WeakPolarHBondContact O-CB 3.49Å; H228-N231 PolarHBondContact O-N 3.03Å; H228-I232 PolarHBondContact O-N 2.99Å; H228-I232 VanDerWaalsContact O-N 3.17Å
229F88.6Confident90Very high125 Ų12569 Ų6955%0.54833%0.327SS..Hα-helixtrans-54.3-39.6177.7179.9-98000112.8F217 N231 I232 F233F217-F229 HydrophobicContact CE2-CD2 4.08Å; F217-F229 AromaticContact CE2-CE2 3.91Å; F217-F229 HydrophobicContact CE2-CE2 3.91Å; F229-N231 PolarHBondContact O-N 3.47Å; F229-I232 PolarHBondContact O-N 3.48Å; F229-F233 WeakPolarHBondContact O-CB 3.44Å; F229-F233 PolarHBondContact O-N 3.23Å
230Q90.7Very high90.2Very high127 Ų12771.8 Ų71.859%0.59334%0.344SS*.Hα-helixtrans-60-43.3177.2-68.2-179-1100112.2H228 F233 W234H228-Q230 PolarHBondContact O-N 2.88Å; Q230-F233 PolarHBondContact O-N 3.44Å; Q230-W234 PolarHBondContact O-N 2.96Å
231N91.9Very high90.5Very high2 Ų271.1 Ų71.11%0.01134%0.343CS..Hα-helixtrans-62.4-46.5177-87.3-62.1000111.3Y154 D158 V160 H228 F229 F233 W234 S235Y154-N231 VanDerWaalsContact CD1-OD1 3.26Å; Y154-N231 WeakPolarHBondContact CD1-OD1 3.47Å; Y154-N231 WeakPolarHBondContact CE1-OD1 3.38Å; D158-N231 PolarHBondContact OD2-ND2 3.22Å; V160-N231 HydrophobicContact CG1-CB 3.69Å; H228-N231 HydrophobicContact CB-CB 4.38Å; H228-N231 WeakPolarHBondContact O-CB 3.49Å; H228-N231 PolarHBondContact O-N 3.03Å; F229-N231 PolarHBondContact O-N 3.47Å; N231-F233 VanDerWaalsContact C-N 3.33Å; N231-F233 PolarHBondContact O-N 2.89Å; N231-W234 PolarHBondContact O-N 3.04Å; N231-S235 WeakPolarHBondContact O-CB 3.36Å; N231-S235 PolarHBondContact O-N 2.99Å
232I92.9Very high91Very high10 Ų1065.7 Ų65.75%0.05132%0.318CS..Hα-helixtrans-61-43.3177.8-61.4171.2000110.8V216 F217 M220 H228 F229 S236V216-I232 HydrophobicContact CG1-CD1 3.8Å; V216-I232 HydrophobicContact CG1-CG1 4.03Å; F217-I232 HydrophobicContact CB-CD1 4.42Å; F217-I232 HydrophobicContact CB-CG2 4.1Å; F217-I232 HydrophobicContact CD2-CD1 4.47Å; F217-I232 HydrophobicContact CD2-CG2 4.39Å; M220-I232 HydrophobicContact CE-CD1 3.95Å; M220-I232 HydrophobicContact SD-CD1 3.58Å; M220-I232 VanDerWaalsContact SD-CD1 3.58Å; H228-I232 PolarHBondContact O-N 2.99Å; H228-I232 VanDerWaalsContact O-N 3.17Å; F229-I232 PolarHBondContact O-N 3.48Å; I232-S236 VanDerWaalsContact O-CB 3.24Å; I232-S236 WeakPolarHBondContact O-CB 3.24Å; I232-S236 PolarHBondContact O-N 2.96Å; I232-S236 PolarHBondContact O-OG 3.04Å
233F94.6Very high91.5Very high105 Ų10562.4 Ų62.446%0.46130%0.303SS..Hα-helixtrans-61-52.7178.3177.2-96.9000111.7F229 Q230 N231 S235 S236 L237F229-F233 WeakPolarHBondContact O-CB 3.44Å; F229-F233 PolarHBondContact O-N 3.23Å; Q230-F233 PolarHBondContact O-N 3.44Å; N231-F233 VanDerWaalsContact C-N 3.33Å; N231-F233 PolarHBondContact O-N 2.89Å; F233-S235 PolarHBondContact O-N 2.9Å; F233-S236 PolarHBondContact O-N 3.33Å; F233-L237 WeakPolarHBondContact O-CB 3.31Å; F233-L237 PolarHBondContact O-N 2.73Å
234W95.3Very high92.4Very high133 Ų13359.4 Ų59.450%0.50429%0.29SS..Hα-helixtrans-64-40179.3-68.6123.7000112.4Y151 Q230 N231 L237 M238Y151-W234 HydrophobicContact CD2-CB 4.39Å; Y151-W234 HydrophobicContact CE2-CB 4.46Å; Q230-W234 PolarHBondContact O-N 2.96Å; N231-W234 PolarHBondContact O-N 3.04Å; W234-L237 HydrophobicContact CE3-CD2 4.05Å; W234-L237 HydrophobicContact CZ3-CD2 3.95Å; W234-M238 WeakPolarHBondContact O-CB 3.2Å; W234-M238 PolarHBondContact O-N 3.46Å
235S95.6Very high93.2Very high0 Ų056.3 Ų56.30%028%0.277CS..Hα-helixtrans-59.5-49.3173.9-1690000111.8Y151 N213 N231 F233 L237 M238 Y239Y151-S235 VanDerWaalsContact CZ-CB 3.49Å; Y151-S235 WeakPolarHBondContact OH-CB 3.46Å; Y151-S235 PolarHBondContact OH-OG 2.87Å; Y151-S235 VanDerWaalsContact OH-OG 3.09Å; N213-S235 VanDerWaalsContact CG-OG 3.25Å; N213-S235 PolarHBondContact ND2-OG 3.11Å; N213-S235 WeakPolarHBondContact OD1-CB 3.29Å; N213-S235 PolarHBondContact OD1-OG 3.39Å; N231-S235 WeakPolarHBondContact O-CB 3.36Å; N231-S235 PolarHBondContact O-N 2.99Å; F233-S235 PolarHBondContact O-N 2.9Å; S235-L237 PolarHBondContact O-N 2.91Å; S235-M238 PolarHBondContact O-N 3.29Å; S235-Y239 WeakPolarHBondContact O-CB 3.19Å; S235-Y239 WeakPolarHBondContact O-CD2 3.01Å; S235-Y239 PolarHBondContact O-N 3.31Å
236S95.8Very high93.7Very high44 Ų4456.6 Ų56.631%0.30828%0.277SS..Hα-helixtrans-63.8-43.3-177.9-600000111I232 F233 L240I232-S236 VanDerWaalsContact O-CB 3.24Å; I232-S236 WeakPolarHBondContact O-CB 3.24Å; I232-S236 PolarHBondContact O-N 2.96Å; I232-S236 PolarHBondContact O-OG 3.04Å; F233-S236 PolarHBondContact O-N 3.33Å; S236-L240 WeakPolarHBondContact O-CB 3.39Å; S236-L240 PolarHBondContact O-N 2.89Å
237L96.6Very high94.2Very high86 Ų8652.3 Ų52.345%0.4526%0.261SS..Hα-helixtrans-60.6-46.9175.3-17962.3000111.4F233 W234 S235 S241F233-L237 WeakPolarHBondContact O-CB 3.31Å; F233-L237 PolarHBondContact O-N 2.73Å; W234-L237 HydrophobicContact CE3-CD2 4.05Å; W234-L237 HydrophobicContact CZ3-CD2 3.95Å; S235-L237 PolarHBondContact O-N 2.91Å; L237-S241 VanDerWaalsContact O-CB 3.31Å; L237-S241 WeakPolarHBondContact O-CB 3.33Å; L237-S241 PolarHBondContact O-N 2.04Å; L237-S241 PolarHBondContact O-OG 3Å
238M96.7Very high94.7Very high15 Ų1556.5 Ų56.57%0.07428%0.279CS..Hα-helixtrans-60.9-54.5178.6-176.5-169.665.400111.2Y151 W234 S235 L240 S241 Y242Y151-M238 HydrophobicContact CD1-CE 3.32Å; Y151-M238 HydrophobicContact CD1-SD 3.74Å; Y151-M238 HydrophobicContact CE1-CE 3.74Å; Y151-M238 HydrophobicContact CG-CE 3.98Å; Y151-M238 HydrophobicContact CG-SD 3.86Å; W234-M238 WeakPolarHBondContact O-CB 3.2Å; W234-M238 PolarHBondContact O-N 3.46Å; S235-M238 PolarHBondContact O-N 3.29Å; M238-L240 PolarHBondContact O-N 3.01Å; M238-S241 PolarHBondContact O-N 3.29Å; M238-S241 PolarHBondContact O-OG 3.46Å; M238-Y242 HydrophobicContact CE-CE2 4.27Å; M238-Y242 HydrophobicContact CG-CD2 4.1Å; M238-Y242 HydrophobicContact CG-CE1 3.97Å; M238-Y242 HydrophobicContact CG-CE2 3.46Å; M238-Y242 VanDerWaalsContact CG-CE2 3.46Å; M238-Y242 PolarHBondContact O-N 3.3Å; M238-Y242 HydrophobicContact SD-CE2 3.75Å
239Y96.8Very high95Very high13 Ų1355.6 Ų55.65%0.05127%0.274CS..Hα-helixtrans-62.7-39.7-178.1-88.9-78.8000112.9F166 M206 S235 Y242 L243F166-Y239 WeakPolarHBondContact CB-OH 3.39Å; F166-Y239 HydrophobicContact CD1-CE1 4.49Å; F166-Y239 AromaticContact CD1-CE2 3.63Å; F166-Y239 HydrophobicContact CD1-CE2 3.63Å; F166-Y239 AromaticContact CD1-CZ 3.53Å; F166-Y239 WeakPolarHBondContact CD1-OH 3.33Å; F166-Y239 HydrophobicContact CE1-CD2 4.39Å; F166-Y239 AromaticContact CE1-CE2 3.74Å; F166-Y239 HydrophobicContact CE1-CE2 3.74Å; F166-Y239 HydrophobicContact CG-CE2 4.14Å; F166-Y239 HydrophobicContact CZ-CE2 4.35Å; M206-Y239 HydrophobicContact SD-CD1 3.7Å; M206-Y239 HydrophobicContact SD-CE1 3.91Å; S235-Y239 WeakPolarHBondContact O-CB 3.19Å; S235-Y239 WeakPolarHBondContact O-CD2 3.01Å; S235-Y239 PolarHBondContact O-N 3.31Å; Y239-Y242 PolarHBondContact O-N 3.39Å; Y239-L243 WeakPolarHBondContact O-CB 3.45Å; Y239-L243 PolarHBondContact O-N 3.4Å
240L96.8Very high95.3Very high95 Ų9551 Ų5150%0.49725%0.254SS..Hα-helixtrans-65.2-43.5175.3-177.961.7000111.6S236 M238 Y242 L243 V244S236-L240 WeakPolarHBondContact O-CB 3.39Å; S236-L240 PolarHBondContact O-N 2.89Å; M238-L240 PolarHBondContact O-N 3.01Å; L240-Y242 VanDerWaalsContact C-N 3.32Å; L240-Y242 PolarHBondContact O-N 3.41Å; L240-L243 WeakPolarHBondContact O-CB 3.5Å; L240-L243 PolarHBondContact O-N 3.04Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.47Å; L240-V244 VanDerWaalsContact O-N 3.1Å
241S97.6Very high95.3Very high25 Ų2550.8 Ų50.818%0.17525%0.251CS..Hα-helixtrans-60.5-42.7176.977.20000111.6Y143 L237 M238 V244 L245Y143-S241 PolarHBondContact OH-OG 3.43Å; L237-S241 VanDerWaalsContact O-CB 3.31Å; L237-S241 WeakPolarHBondContact O-CB 3.33Å; L237-S241 PolarHBondContact O-N 2.04Å; L237-S241 PolarHBondContact O-OG 3Å; M238-S241 PolarHBondContact O-N 3.29Å; M238-S241 PolarHBondContact O-OG 3.46Å; S241-V244 PolarHBondContact O-N 2.9Å; S241-L245 VanDerWaalsContact O-CG 3.27Å; S241-L245 WeakPolarHBondContact O-CG 3.44Å; S241-L245 PolarHBondContact O-N 3.22Å
242Y97.2Very high95.2Very high4 Ų456.4 Ų56.42%0.01628%0.277CS..Hα-helixtrans-66.4-42.5177.9-66.9-8.4000111.4Y143 H144 T147 V148 M206 M238 Y239 L240 V244 L245 F246Y143-Y242 HydrophobicContact CD1-CD1 4.38Å; Y143-Y242 HydrophobicContact CD1-CE1 4.02Å; Y143-Y242 AromaticContact CE1-CD1 3.96Å; Y143-Y242 HydrophobicContact CE1-CD1 3.96Å; Y143-Y242 AromaticContact CE1-CE1 3.69Å; Y143-Y242 HydrophobicContact CE1-CE1 3.69Å; H144-Y242 HydrophobicContact CB-CE1 4.22Å; H144-Y242 AromaticContact CD2-CD2 3.89Å; H144-Y242 AromaticContact CD2-CE2 3.45Å; H144-Y242 VanDerWaalsContact CD2-CE2 3.45Å; H144-Y242 WeakPolarHBondContact CD2-CE2 3.42Å; H144-Y242 AromaticContact CD2-CZ 3.53Å; H144-Y242 PolarHBondContact O-OH 3.02Å; T147-Y242 WeakPolarHBondContact CB-OH 3.41Å; T147-Y242 WeakPolarHBondContact OG1-CE1 3.19Å; T147-Y242 PolarHBondContact OG1-OH 3.18Å; V148-Y242 PolarHBondContact N-OH 2.74Å; M206-Y242 HydrophobicContact CE-CD2 4.32Å; M206-Y242 VanDerWaalsContact SD-CB 3.53Å; M206-Y242 HydrophobicContact SD-CD2 3.68Å; M206-Y242 HydrophobicContact SD-CG 4.13Å; M238-Y242 HydrophobicContact CE-CE2 4.27Å; M238-Y242 HydrophobicContact CG-CD2 4.1Å; M238-Y242 HydrophobicContact CG-CE1 3.97Å; M238-Y242 HydrophobicContact CG-CE2 3.46Å; M238-Y242 VanDerWaalsContact CG-CE2 3.46Å; M238-Y242 PolarHBondContact O-N 3.3Å; M238-Y242 HydrophobicContact SD-CE2 3.75Å; Y239-Y242 PolarHBondContact O-N 3.39Å; L240-Y242 VanDerWaalsContact C-N 3.32Å; L240-Y242 PolarHBondContact O-N 3.41Å; Y242-V244 VanDerWaalsContact C-N 3.32Å; Y242-V244 PolarHBondContact O-N 2.89Å; Y242-L245 PolarHBondContact O-N 3.25Å; Y242-F246 WeakPolarHBondContact O-CB 3.34Å; Y242-F246 VanDerWaalsContact O-CD2 3.3Å; Y242-F246 WeakPolarHBondContact O-CD2 3.33Å; Y242-F246 PolarHBondContact O-N 3.35Å
243L97.1Very high95Very high27 Ų2757.2 Ų57.214%0.14129%0.285CS..Hα-helixtrans-54.8-50176.2178.760.5000111.1I203 M206 L207 Y239 L240 L245 F246 C247I203-L243 HydrophobicContact CG2-CD1 4Å; M206-L243 HydrophobicContact CB-CB 3.9Å; M206-L243 HydrophobicContact CB-CD1 4.14Å; L207-L243 HydrophobicContact CD2-CD1 3.7Å; L207-L243 HydrophobicContact CD2-CD2 3.53Å; L207-L243 HydrophobicContact CD2-CG 4.27Å; L207-L243 HydrophobicContact CG-CD1 3.7Å; L207-L243 HydrophobicContact CG-CD2 4.36Å; Y239-L243 WeakPolarHBondContact O-CB 3.45Å; Y239-L243 PolarHBondContact O-N 3.4Å; L240-L243 WeakPolarHBondContact O-CB 3.5Å; L240-L243 PolarHBondContact O-N 3.04Å; L243-L245 PolarHBondContact O-N 3.37Å; L243-F246 PolarHBondContact O-N 2.97Å; L243-C247 VanDerWaalsContact O-CB 3.3Å; L243-C247 WeakPolarHBondContact O-CB 3.37Å; L243-C247 PolarHBondContact O-N 2.99Å; L243-C247 PolarHBondContact O-SG 2.97Å
244V97.1Very high94.7Very high91 Ų9153.1 Ų53.155%0.55227%0.267SS*.Hα-helixtrans-60.5-47.5178.5173.60000111L240 S241 Y242 C247 H248L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.47Å; L240-V244 VanDerWaalsContact O-N 3.1Å; S241-V244 PolarHBondContact O-N 2.9Å; Y242-V244 VanDerWaalsContact C-N 3.32Å; Y242-V244 PolarHBondContact O-N 2.89Å; V244-C247 PolarHBondContact O-N 2.67Å; V244-H248 WeakPolarHBondContact O-CB 3.22Å; V244-H248 PolarHBondContact O-N 3.16Å
245L95.8Very high94.3Very high39 Ų3949.9 Ų49.920%0.20426%0.259CS..Hα-helixtrans-67.3-38.7-177.7-68.9169.7000112.9F139 L140 Y143 S241 Y242 L243 F249F139-L245 HydrophobicContact CD1-CD2 4.08Å; F139-L245 HydrophobicContact CE1-CD1 4.17Å; F139-L245 HydrophobicContact CE1-CD2 4.12Å; L140-L245 HydrophobicContact CD1-CB 3.57Å; L140-L245 HydrophobicContact CD1-CD1 4.05Å; L140-L245 HydrophobicContact CD1-CG 4.45Å; L140-L245 HydrophobicContact CG-CB 4.48Å; Y143-L245 HydrophobicContact CD1-CD1 3.63Å; Y143-L245 HydrophobicContact CE1-CD1 3.78Å; S241-L245 VanDerWaalsContact O-CG 3.27Å; S241-L245 WeakPolarHBondContact O-CG 3.44Å; S241-L245 PolarHBondContact O-N 3.22Å; Y242-L245 PolarHBondContact O-N 3.25Å; L243-L245 PolarHBondContact O-N 3.37Å; L245-F249 WeakPolarHBondContact O-CB 3.42Å; L245-F249 PolarHBondContact O-N 3.42Å
246F94.6Very high93.3Very high16 Ų1651.4 Ų51.47%0.0727%0.274CS..Hα-helixtrans-71-39.6176.4-88.4-75.7000112L140 Q202 I203 M206 Y242 L243 F249 F250L140-F246 HydrophobicContact CD1-CD2 4.08Å; L140-F246 HydrophobicContact CD1-CE2 3.94Å; L140-F246 HydrophobicContact CD1-CZ 4.36Å; L140-F246 HydrophobicContact CD2-CD1 4.05Å; L140-F246 HydrophobicContact CD2-CD2 4.49Å; L140-F246 HydrophobicContact CD2-CE1 4Å; L140-F246 HydrophobicContact CD2-CE2 4.45Å; L140-F246 HydrophobicContact CD2-CG 4.29Å; L140-F246 HydrophobicContact CD2-CZ 4.21Å; Q202-F246 HydrophobicContact CB-CD1 4.05Å; Q202-F246 HydrophobicContact CB-CE1 3.88Å; Q202-F246 HydrophobicContact CB-CZ 4.26Å; Q202-F246 HydrophobicContact CG-CE1 4.23Å; Q202-F246 HydrophobicContact CG-CZ 4.49Å; Q202-F246 VanDerWaalsContact OE1-CE1 3.22Å; I203-F246 HydrophobicContact CG1-CB 3.79Å; M206-F246 HydrophobicContact CE-CE2 4.26Å; M206-F246 HydrophobicContact CG-CD2 4.29Å; Y242-F246 WeakPolarHBondContact O-CB 3.34Å; Y242-F246 VanDerWaalsContact O-CD2 3.3Å; Y242-F246 WeakPolarHBondContact O-CD2 3.33Å; Y242-F246 PolarHBondContact O-N 3.35Å; L243-F246 PolarHBondContact O-N 2.97Å; F246-F249 PolarHBondContact O-N 3.49Å; F246-F250 WeakPolarHBondContact O-CB 3.37Å; F246-F250 PolarHBondContact O-N 3.3Å
247C95.4Very high92Very high41 Ų4155.4 Ų55.428%0.27729%0.286SS..Hα-helixtrans-59.3-49.8171.5-75.30000110.6L243 V244 F249 F250 F251L243-C247 VanDerWaalsContact O-CB 3.3Å; L243-C247 WeakPolarHBondContact O-CB 3.37Å; L243-C247 PolarHBondContact O-N 2.99Å; L243-C247 PolarHBondContact O-SG 2.97Å; V244-C247 PolarHBondContact O-N 2.67Å; C247-F249 PolarHBondContact O-N 3.49Å; C247-F250 WeakPolarHBondContact O-CB 2.95Å; C247-F250 PolarHBondContact O-N 3.44Å; C247-F250 VanDerWaalsContact O-N 3.15Å; C247-F251 WeakPolarHBondContact O-CD2 3.45Å; C247-F251 PolarHBondContact O-N 3.34Å
248H94.9Very high90.3Very high105 Ų10556.5 Ų56.549%0.48629%0.29SS..Hα-helixtrans-56.5-48.2176.1-177.9-89.1000111.8V244 F250 F251 E252V244-H248 WeakPolarHBondContact O-CB 3.22Å; V244-H248 PolarHBondContact O-N 3.16Å; H248-F250 VanDerWaalsContact C-N 3.33Å; H248-F250 PolarHBondContact O-N 3.39Å; H248-F251 PolarHBondContact O-N 2.69Å; H248-E252 IonicContact CE1-OE1 2.97Å; H248-E252 PolarHBondContact CE1-OE1 3.12Å; H248-E252 VanDerWaalsContact CE1-OE1 3.24Å; H248-E252 IonicContact CE1-OE2 2.62Å; H248-E252 IonicContact ND1-OE2 3.37Å; H248-E252 IonicContact NE2-OE1 3.75Å; H248-E252 PolarHBondContact O-N 3.46Å
249F93.6Very high88.5Confident64 Ų6464.2 Ų64.228%0.28132%0.319SS..Hα-helixtrans-58.3-42.8175.9173.3-99.3000112.4I138 L140 T199 L245 F246 C247 E252 A253I138-F249 HydrophobicContact CD1-CD2 4.16Å; I138-F249 HydrophobicContact CD1-CE2 4.15Å; L140-F249 HydrophobicContact CD2-CB 4.09Å; L140-F249 HydrophobicContact CD2-CG 4.33Å; T199-F249 HydrophobicContact CG2-CD1 3.82Å; T199-F249 HydrophobicContact CG2-CE1 3.98Å; L245-F249 WeakPolarHBondContact O-CB 3.42Å; L245-F249 PolarHBondContact O-N 3.42Å; F246-F249 PolarHBondContact O-N 3.49Å; C247-F249 PolarHBondContact O-N 3.49Å; F249-E252 PolarHBondContact O-N 3.39Å; F249-A253 HydrophobicContact CE1-CB 4.36Å; F249-A253 HydrophobicContact CE2-CB 4.36Å; F249-A253 HydrophobicContact CZ-CB 4.18Å; F249-A253 WeakPolarHBondContact O-CB 3.33Å; F249-A253 PolarHBondContact O-N 2.91Å
250F93.5Very high86.7Confident28 Ų2871.5 Ų71.512%0.12335%0.351CS..Hα-helixtrans-63-45.5178.7-176.9-89.2000111.8M196 T199 L200 I203 F246 C247 H248 E252 A253 Y254 I255M196-F250 HydrophobicContact CG-CE2 3.66Å; M196-F250 HydrophobicContact CG-CZ 4.07Å; M196-F250 HydrophobicContact SD-CZ 4.43Å; T199-F250 HydrophobicContact CG2-CB 4.19Å; T199-F250 HydrophobicContact CG2-CD2 3.84Å; L200-F250 HydrophobicContact CD1-CE2 4.43Å; L200-F250 HydrophobicContact CD2-CD2 4.24Å; L200-F250 HydrophobicContact CD2-CE2 3.6Å; L200-F250 HydrophobicContact CD2-CZ 3.79Å; L200-F250 HydrophobicContact CG-CE2 3.75Å; L200-F250 HydrophobicContact CG-CZ 4.25Å; I203-F250 HydrophobicContact CD1-CB 3.83Å; I203-F250 HydrophobicContact CD1-CD2 4.21Å; I203-F250 HydrophobicContact CD1-CG 4.08Å; F246-F250 WeakPolarHBondContact O-CB 3.37Å; F246-F250 PolarHBondContact O-N 3.3Å; C247-F250 WeakPolarHBondContact O-CB 2.95Å; C247-F250 PolarHBondContact O-N 3.44Å; C247-F250 VanDerWaalsContact O-N 3.15Å; H248-F250 VanDerWaalsContact C-N 3.33Å; H248-F250 PolarHBondContact O-N 3.39Å; F250-E252 PolarHBondContact O-N 3.05Å; F250-A253 PolarHBondContact O-N 2.83Å; F250-Y254 AromaticContact CD2-CD2 3.49Å; F250-Y254 HydrophobicContact CD2-CD2 3.49Å; F250-Y254 VanDerWaalsContact CD2-CD2 3.49Å; F250-Y254 AromaticContact CD2-CE2 3.89Å; F250-Y254 HydrophobicContact CD2-CE2 3.89Å; F250-Y254 HydrophobicContact CD2-CG 4.46Å; F250-Y254 AromaticContact CE2-CD2 3.73Å; F250-Y254 HydrophobicContact CE2-CD2 3.73Å; F250-Y254 HydrophobicContact CE2-CE2 4.23Å; F250-Y254 HydrophobicContact CE2-CG 4.33Å; F250-Y254 HydrophobicContact CG-CD2 4.01Å; F250-Y254 HydrophobicContact CZ-CD2 4.42Å; F250-Y254 WeakPolarHBondContact O-CB 3.49Å; F250-Y254 PolarHBondContact O-N 3.46Å; F250-I255 HydrophobicContact CD1-CD1 4.15Å; F250-I255 HydrophobicContact CE1-CD1 3.87Å; F250-I255 HydrophobicContact CE1-CG1 4.28Å
251F92.3Very high84.8Confident123 Ų12371.1 Ų71.154%0.53935%0.352SS..Iπ-helixtrans-59-47.8176-83.2-72000111.5C247 H248 I255 G256C247-F251 WeakPolarHBondContact O-CD2 3.45Å; C247-F251 PolarHBondContact O-N 3.34Å; H248-F251 PolarHBondContact O-N 2.69Å; F251-I255 HydrophobicContact CD1-CB 4.26Å; F251-I255 HydrophobicContact CD1-CD1 3.46Å; F251-I255 VanDerWaalsContact CD1-CD1 3.46Å; F251-I255 HydrophobicContact CD1-CG1 4.41Å; F251-I255 HydrophobicContact CD1-CG2 4.43Å; F251-I255 HydrophobicContact CE1-CD1 3.52Å; F251-I255 HydrophobicContact CG-CD1 4.38Å; F251-I255 HydrophobicContact CZ-CD1 4.46Å; F251-I255 PolarHBondContact O-N 3.14Å; F251-G256 PolarHBondContact O-N 3.14Å
252E90.1Very high82.8Confident121 Ų12174.6 Ų74.657%0.56537%0.372SS*.Iπ-helixtrans-66.6-44.4179.5-70.6-166.8141.500113.1H248 F249 F250H248-E252 IonicContact CE1-OE1 2.97Å; H248-E252 PolarHBondContact CE1-OE1 3.12Å; H248-E252 VanDerWaalsContact CE1-OE1 3.24Å; H248-E252 IonicContact CE1-OE2 2.62Å; H248-E252 IonicContact ND1-OE2 3.37Å; H248-E252 IonicContact NE2-OE1 3.75Å; H248-E252 PolarHBondContact O-N 3.46Å; F249-E252 PolarHBondContact O-N 3.39Å; F250-E252 PolarHBondContact O-N 3.05Å
253A87.8Confident80.7Confident26 Ų2682.5 Ų82.522%0.21541%0.407CS..Iπ-helixtrans-76.8-33.6-171.500000113.6R192 F249 F250R192-A253 PolarHBondContact NH2-O 3.38Å; F249-A253 HydrophobicContact CE1-CB 4.36Å; F249-A253 HydrophobicContact CE2-CB 4.36Å; F249-A253 HydrophobicContact CZ-CB 4.18Å; F249-A253 WeakPolarHBondContact O-CB 3.33Å; F249-A253 PolarHBondContact O-N 2.91Å; F250-A253 PolarHBondContact O-N 2.83Å
254Y88.7Confident78.7Confident19 Ų1985.4 Ų85.48%0.07544%0.435CS..Iπ-helixtrans-112.5-54.7-171.8-60.5-72.5000112.7R192 A195 M196 T199 F250 M258R192-Y254 HydrophobicContact CG-CE1 4.29Å; A195-Y254 PolarHBondContact O-OH 3.24Å; A195-Y254 VanDerWaalsContact O-OH 3.09Å; M196-Y254 HydrophobicContact CB-CD1 4.14Å; M196-Y254 HydrophobicContact CB-CE1 3.81Å; M196-Y254 HydrophobicContact CE-CD1 3.6Å; M196-Y254 HydrophobicContact CE-CE1 4.38Å; M196-Y254 HydrophobicContact CE-CG 3.92Å; M196-Y254 HydrophobicContact CG-CD1 4.25Å; M196-Y254 HydrophobicContact CG-CE1 4.35Å; M196-Y254 HydrophobicContact CG-CG 4.36Å; M196-Y254 PolarHBondContact N-OH 3.44Å; T199-Y254 HydrophobicContact CG2-CE2 4.2Å; T199-Y254 PolarHBondContact OG1-OH 2.97Å; F250-Y254 AromaticContact CD2-CD2 3.49Å; F250-Y254 HydrophobicContact CD2-CD2 3.49Å; F250-Y254 VanDerWaalsContact CD2-CD2 3.49Å; F250-Y254 AromaticContact CD2-CE2 3.89Å; F250-Y254 HydrophobicContact CD2-CE2 3.89Å; F250-Y254 HydrophobicContact CD2-CG 4.46Å; F250-Y254 AromaticContact CE2-CD2 3.73Å; F250-Y254 HydrophobicContact CE2-CD2 3.73Å; F250-Y254 HydrophobicContact CE2-CE2 4.23Å; F250-Y254 HydrophobicContact CE2-CG 4.33Å; F250-Y254 HydrophobicContact CG-CD2 4.01Å; F250-Y254 HydrophobicContact CZ-CD2 4.42Å; F250-Y254 WeakPolarHBondContact O-CB 3.49Å; F250-Y254 PolarHBondContact O-N 3.46Å; Y254-M258 WeakPolarHBondContact O-CG 3.36Å; Y254-M258 PolarHBondContact O-N 2.92Å
255I85.9Confident76.1Confident66 Ų6691.2 Ų91.234%0.33846%0.456SS..Iπ-helixtrans-78.9-46.5-173.1-63.6170.1000111.2F250 F251 K257 M258 R259F250-I255 HydrophobicContact CD1-CD1 4.15Å; F250-I255 HydrophobicContact CE1-CD1 3.87Å; F250-I255 HydrophobicContact CE1-CG1 4.28Å; F251-I255 HydrophobicContact CD1-CB 4.26Å; F251-I255 HydrophobicContact CD1-CD1 3.46Å; F251-I255 VanDerWaalsContact CD1-CD1 3.46Å; F251-I255 HydrophobicContact CD1-CG1 4.41Å; F251-I255 HydrophobicContact CD1-CG2 4.43Å; F251-I255 HydrophobicContact CE1-CD1 3.52Å; F251-I255 HydrophobicContact CG-CD1 4.38Å; F251-I255 HydrophobicContact CZ-CD1 4.46Å; F251-I255 PolarHBondContact O-N 3.14Å; I255-K257 VanDerWaalsContact C-N 3.29Å; I255-K257 PolarHBondContact O-N 3.16Å; I255-M258 PolarHBondContact O-N 2.88Å; I255-M258 VanDerWaalsContact O-N 3.15Å; I255-R259 PolarHBondContact O-N 2.84Å
256G76.1Confident75.2Confident31 Ų3193.8 Ų93.832%0.3247%0.469SS..Hα-helixtrans-62-35.8179.800000112.8F251 K260F251-G256 PolarHBondContact O-N 3.14Å; G256-K260 PolarHBondContact O-N 3.24Å
257K66.9Low74.1Confident128 Ų12897.9 Ų97.956%0.55749%0.49SS*.Hα-helixtrans-68.7-41.6172.9-89.9-173.4175.2-179.70112.9I255 K260 T261I255-K257 VanDerWaalsContact C-N 3.29Å; I255-K257 PolarHBondContact O-N 3.16Å; K257-K260 PolarHBondContact O-N 3.07Å; K257-T261 PolarHBondContact O-N 3.2Å; K257-T261 PolarHBondContact O-OG1 3.37Å
258M61.9Low73Confident110 Ų110101.1 Ų101.154%0.54250%0.501SS..Hα-helixtrans-61.2-45.1177.1-75.8176.864.700111.5Y254 I255 K260 T261 T262Y254-M258 WeakPolarHBondContact O-CG 3.36Å; Y254-M258 PolarHBondContact O-N 2.92Å; I255-M258 PolarHBondContact O-N 2.88Å; I255-M258 VanDerWaalsContact O-N 3.15Å; M258-K260 PolarHBondContact O-N 3.35Å; M258-T261 PolarHBondContact O-N 2.95Å; M258-T261 VanDerWaalsContact O-N 3.15Å; M258-T262 PolarHBondContact O-N 3.24Å; M258-T262 PolarHBondContact O-OG1 3Å; M258-T262 VanDerWaalsContact O-OG1 3.1Å
259R59.2Low71.7Confident177 Ų177100.8 Ų100.867%0.66850%0.502SS*.Hα-helixtrans-61.3-28.4176.3-82.3179.187.8172.86.2114I255 K263I255-R259 PolarHBondContact O-N 2.84Å; R259-K263 WeakPolarHBondContact O-CB 3.5Å; R259-K263 WeakPolarHBondContact O-CG 3.26Å; R259-K263 PolarHBondContact O-N 3.46Å
260K57.6Low70.3Confident166 Ų166103.1 Ų103.172%0.72252%0.516SS*.Hα-helixtrans-76.9-35.4175.9-75-173.8179.8-173.20112.4G256 K257 M258 A264G256-K260 PolarHBondContact O-N 3.24Å; K257-K260 PolarHBondContact O-N 3.07Å; M258-K260 PolarHBondContact O-N 3.35Å; K260-A264 PolarHBondContact O-N 3.47Å
261T58.2Low68.8Low86 Ų86108.1 Ų108.153%0.52854%0.542SS..Hα-helixtrans-68.6-45.7175.8-54.60000111.2K257 M258 K263 A264 E265K257-T261 PolarHBondContact O-N 3.2Å; K257-T261 PolarHBondContact O-OG1 3.37Å; M258-T261 PolarHBondContact O-N 2.95Å; M258-T261 VanDerWaalsContact O-N 3.15Å; T261-K263 PolarHBondContact O-N 3.37Å; T261-A264 PolarHBondContact O-N 2.86Å; T261-A264 VanDerWaalsContact O-N 3.11Å; T261-E265 PolarHBondContact O-N 3.22Å
262T56.1Low67.1Low98 Ų98107.1 Ų107.160%0.60154%0.543SS*.THydrogen-bonded Turntrans-68.6-17.4179-47.60000114.3M258M258-T262 PolarHBondContact O-N 3.24Å; M258-T262 PolarHBondContact O-OG1 3Å; M258-T262 VanDerWaalsContact O-OG1 3.1Å
263K52.9Low65.3Low170 Ų170106 Ų10674%0.73954%0.541SS*.THydrogen-bonded Turntrans-90.6-10.4174-80.9-171173.4-164.60113.6R259 T261R259-K263 WeakPolarHBondContact O-CB 3.5Å; R259-K263 WeakPolarHBondContact O-CG 3.26Å; R259-K263 PolarHBondContact O-N 3.46Å; T261-K263 PolarHBondContact O-N 3.37Å
264A53.9Low63.4Low89 Ų89112.7 Ų112.774%0.73657%0.568SS**THydrogen-bonded Turntrans-101.7-8.4-179.600000112.6K260 T261K260-A264 PolarHBondContact O-N 3.47Å; T261-A264 PolarHBondContact O-N 2.86Å; T261-A264 VanDerWaalsContact O-N 3.11Å
265E43.8Very low61.1Low212 Ų212121.2 Ų121.299%0.99161%0.613SS**  trans-93.30163.6-71.1175.815700109.3T261T261-E265 PolarHBondContact O-N 3.22Å

Retrieved 265 of 265 residues in 1014.6 ms (Link to these results)