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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 A0A061IQX5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100763438, Length 267 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
1M43.7Very low60.9Low195 Ų19599.8 Ų99.896%0.96151%0.51SS*.  0112.70-148.3166.980.900107M3 L6M1-M3 PolarHBondContact O-N 3.34Å; M1-L6 HydrophobicContact CE-CD1 3.7Å; M1-L6 HydrophobicContact CE-CD2 4.17Å; M1-L6 HydrophobicContact CE-CG 3.88Å
2N45.3Very low63.1Low119 Ų119101.1 Ų101.164%0.63651%0.512SS*.  trans-65.9132.9-170.7-85.6-9.2000111.2S4 V5N2-S4 PolarHBondContact O-N 3.31Å; N2-S4 VanDerWaalsContact O-N 3.08Å; N2-V5 HydrophobicContact CB-CG2 4.21Å; N2-V5 WeakPolarHBondContact O-CB 3.29Å; N2-V5 PolarHBondContact O-N 3.17Å
3M46.6Very low65.1Low158 Ų158100.3 Ų100.378%0.77850%0.504SS*.Hα-helixtrans-55.7-25.9179.8-170.6163.856.400113.2M1 T7M1-M3 PolarHBondContact O-N 3.34Å; M3-T7 PolarHBondContact O-N 3.35Å; M3-T7 PolarHBondContact O-OG1 3Å
4S51.4Low67Low45 Ų4593.1 Ų93.132%0.31547%0.468SS..Hα-helixtrans-68-26.8173.147.20000114.4N2 T7 L8N2-S4 PolarHBondContact O-N 3.31Å; N2-S4 VanDerWaalsContact O-N 3.08Å; S4-T7 WeakPolarHBondContact CA-OG1 3.36Å; S4-T7 PolarHBondContact O-OG1 3.05Å; S4-L8 WeakPolarHBondContact O-CD1 3.17Å; S4-L8 VanDerWaalsContact O-CG 3.25Å; S4-L8 WeakPolarHBondContact O-CG 3.44Å; S4-L8 PolarHBondContact O-N 2.65Å
5V53.6Low68.4Low93 Ų9393.2 Ų93.256%0.56446%0.464SS*.Hα-helixtrans-78.2-36.8179.1-179.90000110.7N2 L8 Q9N2-V5 HydrophobicContact CB-CG2 4.21Å; N2-V5 WeakPolarHBondContact O-CB 3.29Å; N2-V5 PolarHBondContact O-N 3.17Å; V5-L8 PolarHBondContact O-N 2.95Å; V5-Q9 PolarHBondContact O-N 3.49Å
6L53.8Low69.8Low95 Ų9596.9 Ų96.950%0.49748%0.479SS..Hα-helixtrans-67.8-37.5174.8-88.5153.1000112.4M1 L8 Q9M1-L6 HydrophobicContact CE-CD1 3.7Å; M1-L6 HydrophobicContact CE-CD2 4.17Å; M1-L6 HydrophobicContact CE-CG 3.88Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 2.75Å; L6-Q9 PolarHBondContact O-N 3.24Å
7T59.1Low71.2Confident54 Ų5493.3 Ų93.333%0.33146%0.46SS..THydrogen-bonded Turntrans-77.8-9178.450.40000114.1M3 S4 R80 A83M3-T7 PolarHBondContact O-N 3.35Å; M3-T7 PolarHBondContact O-OG1 3Å; S4-T7 WeakPolarHBondContact CA-OG1 3.36Å; S4-T7 PolarHBondContact O-OG1 3.05Å; T7-R80 PolarHBondContact O-NH1 3.12Å; T7-A83 WeakPolarHBondContact OG1-CB 3.24Å
8L66.3Low72.4Confident41 Ų4192.2 Ų92.222%0.21546%0.457CS..THydrogen-bonded Turntrans-98.9-3173.6-73.2171.2000113.4S4 V5 L6 E10 Y87 V108S4-L8 WeakPolarHBondContact O-CD1 3.17Å; S4-L8 VanDerWaalsContact O-CG 3.25Å; S4-L8 WeakPolarHBondContact O-CG 3.44Å; S4-L8 PolarHBondContact O-N 2.65Å; V5-L8 PolarHBondContact O-N 2.95Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 2.75Å; L8-E10 PolarHBondContact O-N 3.34Å; L8-Y87 HydrophobicContact CD1-CD1 4.34Å; L8-Y87 HydrophobicContact CD1-CD2 3.92Å; L8-Y87 HydrophobicContact CD1-CG 3.8Å; L8-V108 VanDerWaalsContact O-CG2 3.32Å; L8-V108 WeakPolarHBondContact O-CG2 3.35Å
9Q79.1Confident73.5Confident132 Ų13289.4 Ų89.462%0.61744%0.442SS*.SBendtrans-67.6123.6170.7-173.6171.8-5.500109.3V5 L6 R80V5-Q9 PolarHBondContact O-N 3.49Å; L6-Q9 PolarHBondContact O-N 3.24Å; Q9-R80 PolarHBondContact O-NH1 3.25Å; Q9-R80 VanDerWaalsContact O-NH1 3.14Å; Q9-R80 PolarHBondContact O-NH2 2.9Å
10E82.6Confident74.5Confident60 Ų6090.2 Ų90.228%0.2845%0.448SS..PPolyproline II helixtrans-69.1139-178.8-65.2169.7-100.500111.8L8 E14 K15 P107 V108L8-E10 PolarHBondContact O-N 3.34Å; E10-E14 WeakPolarHBondContact CA-OE2 2.96Å; E10-K15 HydrophobicContact CB-CD 4.34Å; E10-K15 HydrophobicContact CB-CG 3.64Å; E10-K15 HydrophobicContact CG-CG 4.37Å; E10-K15 WeakPolarHBondContact OE2-CG 3.46Å; E10-P107 HydrophobicContact CG-CB 3.61Å; E10-P107 VanDerWaalsContact OE1-CB 3.32Å; E10-P107 WeakPolarHBondContact OE1-CB 3.21Å; E10-P107 WeakPolarHBondContact OE2-CB 2.82Å; E10-V108 HydrophobicContact CG-CG2 3.97Å
11Y87.9Confident75.4Confident106 Ų10692 Ų9242%0.41646%0.455SS..PPolyproline II helixtrans-77.2155.6163.5-60.7-53.8000110.4F13 E14 K15Y11-F13 AromaticContact CD2-CE1 3.59Å; Y11-F13 HydrophobicContact CD2-CE1 3.59Å; Y11-F13 AromaticContact CD2-CZ 3.8Å; Y11-F13 HydrophobicContact CD2-CZ 3.8Å; Y11-F13 HydrophobicContact CG-CD1 4.45Å; Y11-F13 AromaticContact CG-CE1 3.76Å; Y11-F13 HydrophobicContact CG-CE1 3.76Å; Y11-F13 HydrophobicContact CG-CZ 4.38Å; Y11-F13 PolarHBondContact O-N 3.04Å; Y11-E14 PolarHBondContact N-OE2 2.93Å; Y11-E14 WeakPolarHBondContact O-CB 3.22Å; Y11-E14 PolarHBondContact O-N 3.43Å; Y11-K15 PolarHBondContact O-N 3.49Å; Y11-K15 VanDerWaalsContact O-N 3.12Å
12E87.7Confident77.9Confident115 Ų11583 Ų8354%0.53741%0.412SS..Hα-helixtrans-56.9-37.4-178.1-68.3-57121.800113E14 K15 Q16E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 2.85Å; E12-K15 PolarHBondContact O-N 3.18Å; E12-K15 IonicContact OE1-NZ 3.36Å; E12-K15 PolarHBondContact OE1-NZ 3.38Å; E12-Q16 WeakPolarHBondContact O-CB 3.16Å; E12-Q16 VanDerWaalsContact O-CG 3.29Å; E12-Q16 WeakPolarHBondContact O-CG 3.3Å; E12-Q16 PolarHBondContact O-N 2.97Å; E12-Q16 VanDerWaalsContact O-N 3.08Å
13F89.6Confident80.2Confident91 Ų9177.9 Ų77.940%0.39939%0.385SS..Hα-helixtrans-70.2-28.1177.473.6-93.8000113.3Y11 F17 F111 W112Y11-F13 AromaticContact CD2-CE1 3.59Å; Y11-F13 HydrophobicContact CD2-CE1 3.59Å; Y11-F13 AromaticContact CD2-CZ 3.8Å; Y11-F13 HydrophobicContact CD2-CZ 3.8Å; Y11-F13 HydrophobicContact CG-CD1 4.45Å; Y11-F13 AromaticContact CG-CE1 3.76Å; Y11-F13 HydrophobicContact CG-CE1 3.76Å; Y11-F13 HydrophobicContact CG-CZ 4.38Å; Y11-F13 PolarHBondContact O-N 3.04Å; F13-F17 PolarHBondContact O-N 3.46Å; F13-F111 HydrophobicContact CD2-CD1 4.24Å; F13-F111 HydrophobicContact CD2-CD2 4.21Å; F13-F111 HydrophobicContact CD2-CE1 4.2Å; F13-F111 HydrophobicContact CD2-CE2 4.17Å; F13-F111 HydrophobicContact CD2-CG 4.24Å; F13-F111 HydrophobicContact CD2-CZ 4.16Å; F13-F111 AromaticContact CE2-CD1 3.6Å; F13-F111 HydrophobicContact CE2-CD1 3.6Å; F13-F111 HydrophobicContact CE2-CD2 4.38Å; F13-F111 AromaticContact CE2-CE1 3.56Å; F13-F111 HydrophobicContact CE2-CE1 3.56Å; F13-F111 HydrophobicContact CE2-CE2 4.35Å; F13-F111 HydrophobicContact CE2-CG 4.02Å; F13-F111 AromaticContact CE2-CZ 3.95Å; F13-F111 HydrophobicContact CE2-CZ 3.95Å; F13-W112 HydrophobicContact CZ-CZ2 4.32Å
14E90.6Very high82.6Confident0 Ų075.4 Ų75.40%037%0.371CS..Hα-helixtrans-74.2-39.4176.5-63.8169154.600110E10 Y11 E12 F17 R80 K110 F111 W112E10-E14 WeakPolarHBondContact CA-OE2 2.96Å; Y11-E14 PolarHBondContact N-OE2 2.93Å; Y11-E14 WeakPolarHBondContact O-CB 3.22Å; Y11-E14 PolarHBondContact O-N 3.43Å; E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 2.85Å; E14-F17 WeakPolarHBondContact O-CB 3.27Å; E14-F17 PolarHBondContact O-N 3.09Å; E14-R80 IonicContact OE1-CZ 3Å; E14-R80 IonicContact OE1-NE 3.23Å; E14-R80 PolarHBondContact OE1-NE 2.86Å; E14-R80 IonicContact OE1-NH2 3.8Å; E14-R80 PolarHBondContact OE1-NH2 2.64Å; E14-R80 IonicContact OE2-CZ 3.79Å; E14-R80 IonicContact OE2-NE 3.77Å; E14-R80 IonicContact OE2-NH2 3.51Å; E14-R80 PolarHBondContact OE2-NH2 3.15Å; E14-K110 WeakPolarHBondContact O-CE 3.5Å; E14-F111 HydrophobicContact CG-CB 4.38Å; E14-W112 PolarHBondContact OE1-NE1 3.08Å
15K88.1Confident84.8Confident94 Ų9477.4 Ų77.441%0.40937%0.372SS..Hα-helixtrans-61.3-45.3174.7-64.7178-172.8167.40112E10 Y11 E12 F17E10-K15 HydrophobicContact CB-CD 4.34Å; E10-K15 HydrophobicContact CB-CG 3.64Å; E10-K15 HydrophobicContact CG-CG 4.37Å; E10-K15 WeakPolarHBondContact OE2-CG 3.46Å; Y11-K15 PolarHBondContact O-N 3.49Å; Y11-K15 VanDerWaalsContact O-N 3.12Å; E12-K15 PolarHBondContact O-N 3.18Å; E12-K15 IonicContact OE1-NZ 3.36Å; E12-K15 PolarHBondContact OE1-NZ 3.38Å; K15-F17 PolarHBondContact O-N 3.22Å
16Q90.7Very high86.8Confident153 Ų15373 Ų7372%0.71535%0.345SS*.THydrogen-bonded Turntrans-74.2-12.8-178.1-69.5175.62.600113.4E12 N18E12-Q16 WeakPolarHBondContact O-CB 3.16Å; E12-Q16 VanDerWaalsContact O-CG 3.29Å; E12-Q16 WeakPolarHBondContact O-CG 3.3Å; E12-Q16 PolarHBondContact O-N 2.97Å; E12-Q16 VanDerWaalsContact O-N 3.08Å; Q16-N18 PolarHBondContact O-N 3.32Å
17F93.6Very high88.7Confident35 Ų3573.3 Ų73.315%0.15434%0.344CS..  trans-69.1124.2-179.6-177.4-102000111.1F13 E14 K15 E19 A22 K110 F111 Y114F13-F17 PolarHBondContact O-N 3.46Å; E14-F17 WeakPolarHBondContact O-CB 3.27Å; E14-F17 PolarHBondContact O-N 3.09Å; K15-F17 PolarHBondContact O-N 3.22Å; F17-E19 HydrophobicContact CD1-CB 4.48Å; F17-E19 HydrophobicContact CE1-CB 4.29Å; F17-E19 PolarHBondContact O-N 3.19Å; F17-A22 HydrophobicContact CE1-CB 4.01Å; F17-A22 HydrophobicContact CE2-CB 4.37Å; F17-A22 HydrophobicContact CZ-CB 3.48Å; F17-A22 VanDerWaalsContact CZ-CB 3.48Å; F17-K110 HydrophobicContact CD1-CB 4.38Å; F17-K110 HydrophobicContact CD1-CD 4.36Å; F17-K110 HydrophobicContact CD1-CG 3.94Å; F17-K110 WeakPolarHBondContact O-CE 3.17Å; F17-K110 PolarHBondContact O-NZ 3.35Å; F17-F111 HydrophobicContact CB-CB 4.3Å; F17-F111 HydrophobicContact CB-CD2 4.38Å; F17-F111 HydrophobicContact CD1-CB 4.17Å; F17-F111 AromaticContact CD2-CD2 3.72Å; F17-F111 HydrophobicContact CD2-CD2 3.72Å; F17-F111 HydrophobicContact CE2-CD2 4.17Å; F17-F111 HydrophobicContact CG-CB 4.07Å; F17-F111 HydrophobicContact CG-CD2 4.05Å; F17-Y114 AromaticContact CE2-CD1 3.65Å; F17-Y114 HydrophobicContact CE2-CD1 3.65Å; F17-Y114 HydrophobicContact CE2-CE1 4.25Å; F17-Y114 HydrophobicContact CE2-CG 4.33Å; F17-Y114 AromaticContact CZ-CD1 3.45Å; F17-Y114 HydrophobicContact CZ-CD1 3.45Å; F17-Y114 VanDerWaalsContact CZ-CD1 3.45Å; F17-Y114 HydrophobicContact CZ-CE1 4.27Å; F17-Y114 AromaticContact CZ-CG 3.66Å; F17-Y114 HydrophobicContact CZ-CG 3.66Å
18N93.4Very high90.5Very high74 Ų7476.7 Ų76.740%0.39636%0.356SS..  trans-90.397.8177-174.6-6.9000110.5Q16 N20 E21 A22Q16-N18 PolarHBondContact O-N 3.32Å; N18-N20 VanDerWaalsContact C-N 3.3Å; N18-N20 PolarHBondContact O-N 3.06Å; N18-N20 PolarHBondContact OD1-N 3.29Å; N18-N20 VanDerWaalsContact OD1-N 3.17Å; N18-E21 HydrophobicContact CB-CB 4.21Å; N18-E21 PolarHBondContact OD1-N 3.23Å; N18-A22 PolarHBondContact O-N 3.47Å
19E92.4Very high91.9Very high38 Ų3875.8 Ų75.818%0.17835%0.351CS..Hα-helixtrans-64-32.5178.964.7-78-177.900113.3F17 A22 I23 I105 K110F17-E19 HydrophobicContact CD1-CB 4.48Å; F17-E19 HydrophobicContact CE1-CB 4.29Å; F17-E19 PolarHBondContact O-N 3.19Å; E19-A22 PolarHBondContact O-N 3.34Å; E19-I23 WeakPolarHBondContact O-CB 3.19Å; E19-I23 WeakPolarHBondContact O-CD1 3.33Å; E19-I23 WeakPolarHBondContact O-CG1 3.41Å; E19-I23 PolarHBondContact O-N 3.31Å; E19-I105 HydrophobicContact CG-CB 4.26Å; E19-I105 HydrophobicContact CG-CG2 4.03Å; E19-K110 HydrophobicContact CB-CB 4.19Å; E19-K110 HydrophobicContact CB-CD 4.26Å; E19-K110 HydrophobicContact CG-CD 4.47Å; E19-K110 WeakPolarHBondContact OE2-CD 3.47Å; E19-K110 IonicContact OE2-NZ 2.76Å; E19-K110 PolarHBondContact OE2-NZ 2.86Å
20N93.6Very high92.7Very high105 Ų10571.8 Ų71.856%0.56133%0.33SS*.Hα-helixtrans-67-43.4-178.2-65.3-51.4000111.3N18 A22 I23 Q24N18-N20 VanDerWaalsContact C-N 3.3Å; N18-N20 PolarHBondContact O-N 3.06Å; N18-N20 PolarHBondContact OD1-N 3.29Å; N18-N20 VanDerWaalsContact OD1-N 3.17Å; N20-A22 VanDerWaalsContact C-N 3.33Å; N20-I23 PolarHBondContact O-N 3.1Å; N20-Q24 WeakPolarHBondContact O-CB 3.22Å; N20-Q24 PolarHBondContact O-N 2.93Å
21E94.9Very high93.3Very high128 Ų12875.5 Ų75.560%0.59835%0.346SS*.Hα-helixtrans-63.6-41174.8-174.8179.6175.300111.3N18 Q24 W25N18-E21 HydrophobicContact CB-CB 4.21Å; N18-E21 PolarHBondContact OD1-N 3.23Å; E21-Q24 PolarHBondContact O-N 3.41Å; E21-W25 VanDerWaalsContact O-CB 3.31Å; E21-W25 WeakPolarHBondContact O-CB 3.5Å; E21-W25 PolarHBondContact O-N 2.94Å
22A94.8Very high93.7Very high6 Ų674.8 Ų74.85%0.0535%0.345CS..Hα-helixtrans-63.3-44.3176.700000112.6F17 N18 E19 N20 W25 M26 Y114F17-A22 HydrophobicContact CE1-CB 4.01Å; F17-A22 HydrophobicContact CE2-CB 4.37Å; F17-A22 HydrophobicContact CZ-CB 3.48Å; F17-A22 VanDerWaalsContact CZ-CB 3.48Å; N18-A22 PolarHBondContact O-N 3.47Å; E19-A22 PolarHBondContact O-N 3.34Å; N20-A22 VanDerWaalsContact C-N 3.33Å; A22-W25 PolarHBondContact O-N 3.28Å; A22-M26 VanDerWaalsContact O-CG 3.3Å; A22-M26 WeakPolarHBondContact O-CG 3.33Å; A22-M26 PolarHBondContact O-N 3.44Å; A22-Y114 HydrophobicContact CB-CD1 4.21Å; A22-Y114 HydrophobicContact CB-CD2 3.71Å; A22-Y114 HydrophobicContact CB-CE1 4.32Å; A22-Y114 HydrophobicContact CB-CE2 3.84Å; A22-Y114 HydrophobicContact CB-CG 3.89Å
23I94.9Very high94.1Very high13 Ų1369.4 Ų69.47%0.06732%0.32CS..Hα-helixtrans-63.1-48.1176.3-68.8158.6000110.2E19 N20 W25 M26 Q27 I105 Y156 M159E19-I23 WeakPolarHBondContact O-CB 3.19Å; E19-I23 WeakPolarHBondContact O-CD1 3.33Å; E19-I23 WeakPolarHBondContact O-CG1 3.41Å; E19-I23 PolarHBondContact O-N 3.31Å; N20-I23 PolarHBondContact O-N 3.1Å; I23-W25 VanDerWaalsContact C-N 3.34Å; I23-W25 PolarHBondContact O-N 2.91Å; I23-M26 PolarHBondContact O-N 2.88Å; I23-M26 VanDerWaalsContact O-N 3.15Å; I23-Q27 HydrophobicContact CG2-CG 4.47Å; I23-Q27 WeakPolarHBondContact O-CG 3.4Å; I23-Q27 PolarHBondContact O-N 3Å; I23-I105 HydrophobicContact CD1-CG2 4.25Å; I23-Y156 HydrophobicContact CG1-CE1 4.25Å; I23-M159 HydrophobicContact CD1-CE 4.32Å; I23-M159 HydrophobicContact CD1-SD 3.46Å; I23-M159 WeakPolarHBondContact CD1-SD 3.46Å; I23-M159 HydrophobicContact CG1-SD 4.06Å
24Q96.5Very high94.4Very high106 Ų10670.4 Ų70.450%0.49532%0.324SS..Hα-helixtrans-59.4-46.5178-176.8179.3-7.400111.1N20 E21 M26 Q27 E28N20-Q24 WeakPolarHBondContact O-CB 3.22Å; N20-Q24 PolarHBondContact O-N 2.93Å; E21-Q24 PolarHBondContact O-N 3.41Å; Q24-M26 VanDerWaalsContact C-N 3.28Å; Q24-M26 PolarHBondContact O-N 3.43Å; Q24-Q27 WeakPolarHBondContact O-CB 3.31Å; Q24-Q27 PolarHBondContact O-N 2.85Å; Q24-Q27 VanDerWaalsContact O-N 3.12Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.45Å; Q24-E28 PolarHBondContact NE2-OE1 3.25Å; Q24-E28 WeakPolarHBondContact O-CG 3.45Å; Q24-E28 PolarHBondContact O-N 3.09Å
25W96.8Very high94.7Very high87 Ų8775.1 Ų75.133%0.3335%0.349SS..Hα-helixtrans-57.9-43.4176.6-173.493.5000111.2E21 A22 I23 E28 N29 Y114 L118 W153E21-W25 VanDerWaalsContact O-CB 3.31Å; E21-W25 WeakPolarHBondContact O-CB 3.5Å; E21-W25 PolarHBondContact O-N 2.94Å; A22-W25 PolarHBondContact O-N 3.28Å; I23-W25 VanDerWaalsContact C-N 3.34Å; I23-W25 PolarHBondContact O-N 2.91Å; W25-E28 PolarHBondContact O-N 3.48Å; W25-N29 HydrophobicContact CD2-CB 4.08Å; W25-N29 HydrophobicContact CE3-CB 4.14Å; W25-N29 HydrophobicContact CH2-CB 4.14Å; W25-N29 HydrophobicContact CZ2-CB 4.06Å; W25-N29 HydrophobicContact CZ3-CB 4.16Å; W25-N29 WeakPolarHBondContact O-CB 3.14Å; W25-N29 PolarHBondContact O-N 2.91Å; W25-N29 PolarHBondContact O-ND2 3.44Å; W25-Y114 HydrophobicContact CE3-CE2 4.32Å; W25-L118 HydrophobicContact CH2-CD2 4.15Å; W25-L118 HydrophobicContact CZ3-CD2 3.81Å; W25-W153 AromaticContact CH2-CH2 3.75Å; W25-W153 HydrophobicContact CH2-CH2 3.75Å; W25-W153 HydrophobicContact CH2-CZ3 4.06Å; W25-W153 HydrophobicContact CZ3-CH2 4.04Å; W25-W153 HydrophobicContact CZ3-CZ3 4.17Å
26M95.6Very high95.2Very high0 Ų074.1 Ų74.10%035%0.345CS..Hα-helixtrans-64.9-39.4177-72-62.3-50.300112.4A22 I23 Q24 E28 N29 W30 Y114 V117 L118 W153 Y156A22-M26 VanDerWaalsContact O-CG 3.3Å; A22-M26 WeakPolarHBondContact O-CG 3.33Å; A22-M26 PolarHBondContact O-N 3.44Å; I23-M26 PolarHBondContact O-N 2.88Å; I23-M26 VanDerWaalsContact O-N 3.15Å; Q24-M26 VanDerWaalsContact C-N 3.28Å; Q24-M26 PolarHBondContact O-N 3.43Å; M26-E28 VanDerWaalsContact C-N 3.32Å; M26-E28 PolarHBondContact O-N 3.09Å; M26-N29 PolarHBondContact O-N 3.36Å; M26-W30 WeakPolarHBondContact O-CA 3.05Å; M26-W30 VanDerWaalsContact O-CB 3.24Å; M26-W30 WeakPolarHBondContact O-CB 3.39Å; M26-W30 PolarHBondContact O-N 2.85Å; M26-Y114 HydrophobicContact CG-CD2 4.15Å; M26-Y114 HydrophobicContact CG-CE2 3.79Å; M26-Y114 HydrophobicContact SD-CE2 4.03Å; M26-V117 HydrophobicContact CE-CG1 3.54Å; M26-V117 HydrophobicContact SD-CG1 4.25Å; M26-L118 HydrophobicContact SD-CD2 4.49Å; M26-W153 HydrophobicContact CE-CB 3.94Å; M26-W153 HydrophobicContact CE-CD2 3.98Å; M26-W153 HydrophobicContact CE-CE3 4.27Å; M26-W153 HydrophobicContact CE-CG 3.88Å; M26-Y156 HydrophobicContact CB-CD1 3.74Å; M26-Y156 HydrophobicContact CB-CE1 4.15Å; M26-Y156 HydrophobicContact CE-CD1 4.49Å; M26-Y156 HydrophobicContact CG-CD1 3.48Å; M26-Y156 VanDerWaalsContact CG-CD1 3.48Å; M26-Y156 HydrophobicContact CG-CE1 3.68Å; M26-Y156 HydrophobicContact CG-CG 4.47Å
27Q94.9Very high95.5Very high101 Ų10167.2 Ų67.247%0.47231%0.313SS..Hα-helixtrans-62.6-38175.7-72174.4-11.800112.6I23 Q24 W30 K157I23-Q27 HydrophobicContact CG2-CG 4.47Å; I23-Q27 WeakPolarHBondContact O-CG 3.4Å; I23-Q27 PolarHBondContact O-N 3Å; Q24-Q27 WeakPolarHBondContact O-CB 3.31Å; Q24-Q27 PolarHBondContact O-N 2.85Å; Q24-Q27 VanDerWaalsContact O-N 3.12Å; Q27-W30 VanDerWaalsContact O-CD1 3.23Å; Q27-K157 HydrophobicContact CG-CB 4.02Å; Q27-K157 WeakPolarHBondContact CG-O 3.19Å; Q27-K157 PolarHBondContact NE2-O 3.42Å; Q27-K157 VanDerWaalsContact NE2-O 3.15Å
28E96.5Very high95.6Very high126 Ų12668.3 Ų68.359%0.58933%0.329SS*.Hα-helixtrans-77.5-33.2177.7-68.8173.6-17100112.5Q24 W25 M26Q24-E28 WeakPolarHBondContact CG-OE1 3.45Å; Q24-E28 PolarHBondContact NE2-OE1 3.25Å; Q24-E28 WeakPolarHBondContact O-CG 3.45Å; Q24-E28 PolarHBondContact O-N 3.09Å; W25-E28 PolarHBondContact O-N 3.48Å; M26-E28 VanDerWaalsContact C-N 3.32Å; M26-E28 PolarHBondContact O-N 3.09Å
29N96.4Very high95.8Very high21 Ų2169.7 Ų69.711%0.11234%0.336CS..Hα-helixtrans-113.6-3.8-164.9-64.8-83.3000115.1W25 M26 K31 K32W25-N29 HydrophobicContact CD2-CB 4.08Å; W25-N29 HydrophobicContact CE3-CB 4.14Å; W25-N29 HydrophobicContact CH2-CB 4.14Å; W25-N29 HydrophobicContact CZ2-CB 4.06Å; W25-N29 HydrophobicContact CZ3-CB 4.16Å; W25-N29 WeakPolarHBondContact O-CB 3.14Å; W25-N29 PolarHBondContact O-N 2.91Å; W25-N29 PolarHBondContact O-ND2 3.44Å; M26-N29 PolarHBondContact O-N 3.36Å; N29-K31 PolarHBondContact O-N 2.93Å; N29-K32 HydrophobicContact CB-CD 4.07Å; N29-K32 HydrophobicContact CB-CG 4.49Å; N29-K32 VanDerWaalsContact O-CB 3.27Å; N29-K32 WeakPolarHBondContact O-CB 3.23Å; N29-K32 WeakPolarHBondContact O-CG 2.95Å; N29-K32 PolarHBondContact O-N 3.31Å; N29-K32 WeakPolarHBondContact OD1-CE 3.49Å; N29-K32 PolarHBondContact OD1-NZ 3.12Å
30W94.9Very high96Very high48 Ų4868.4 Ų68.418%0.18233%0.329CS..THydrogen-bonded Turntrans-54.5-31.9-176.170.2-87000113M26 Q27 K32 S33 F34 W153 Y154 K157M26-W30 WeakPolarHBondContact O-CA 3.05Å; M26-W30 VanDerWaalsContact O-CB 3.24Å; M26-W30 WeakPolarHBondContact O-CB 3.39Å; M26-W30 PolarHBondContact O-N 2.85Å; Q27-W30 VanDerWaalsContact O-CD1 3.23Å; W30-K32 PolarHBondContact O-N 2.82Å; W30-S33 VanDerWaalsContact O-CB 3.29Å; W30-S33 WeakPolarHBondContact O-CB 3.19Å; W30-S33 PolarHBondContact O-N 2.74Å; W30-S33 VanDerWaalsContact O-N 3.15Å; W30-S33 PolarHBondContact O-OG 2.9Å; W30-F34 HydrophobicContact CE3-CE2 4.37Å; W30-F34 HydrophobicContact CH2-CE2 4.3Å; W30-F34 AromaticContact CZ3-CE2 3.65Å; W30-F34 HydrophobicContact CZ3-CE2 3.65Å; W30-F34 HydrophobicContact CZ3-CZ 4.37Å; W30-W153 HydrophobicContact CB-CB 4.34Å; W30-W153 WeakPolarHBondContact CB-O 3.33Å; W30-Y154 HydrophobicContact CE3-CD2 4.11Å; W30-Y154 HydrophobicContact CH2-CD2 4.11Å; W30-Y154 AromaticContact CZ3-CD2 3.76Å; W30-Y154 HydrophobicContact CZ3-CD2 3.76Å; W30-K157 HydrophobicContact CB-CD 4.42Å; W30-K157 HydrophobicContact CD2-CD 4.01Å; W30-K157 HydrophobicContact CG-CD 3.75Å
31K96Very high96.1Very high139 Ų13964.6 Ų64.660%0.60431%0.312SS*.THydrogen-bonded Turntrans-65-20.6178.1-62.9-178.8-176.1173.40113.5N29 S33 F34N29-K31 PolarHBondContact O-N 2.93Å; K31-S33 PolarHBondContact O-N 3.44Å; K31-F34 WeakPolarHBondContact O-CB 3.07Å; K31-F34 WeakPolarHBondContact O-CD2 3.38Å; K31-F34 PolarHBondContact O-N 3.45Å; K31-F34 VanDerWaalsContact O-N 3.1Å
32K95.5Very high96.2Very high91 Ų9161.5 Ų61.540%0.39631%0.309SS..Hα-helixtrans-61.4-22.4174.1-67.2-178.4175166.90112.1N29 W30 F34 L35 F36 W153N29-K32 HydrophobicContact CB-CD 4.07Å; N29-K32 HydrophobicContact CB-CG 4.49Å; N29-K32 VanDerWaalsContact O-CB 3.27Å; N29-K32 WeakPolarHBondContact O-CB 3.23Å; N29-K32 WeakPolarHBondContact O-CG 2.95Å; N29-K32 PolarHBondContact O-N 3.31Å; N29-K32 WeakPolarHBondContact OD1-CE 3.49Å; N29-K32 PolarHBondContact OD1-NZ 3.12Å; W30-K32 PolarHBondContact O-N 2.82Å; K32-F34 PolarHBondContact O-N 3.36Å; K32-L35 WeakPolarHBondContact O-CB 3.27Å; K32-L35 PolarHBondContact O-N 2.85Å; K32-L35 VanDerWaalsContact O-N 3.09Å; K32-F36 PolarHBondContact O-N 3.3Å; K32-W153 HydrophobicContact CB-CZ3 4Å
33S96.3Very high96.2Very high1 Ų164.9 Ų64.91%0.00732%0.322CS..Hα-helixtrans-55.2-38.4172.2620000112.5W30 K31 L35 F36 S37W30-S33 VanDerWaalsContact O-CB 3.29Å; W30-S33 WeakPolarHBondContact O-CB 3.19Å; W30-S33 PolarHBondContact O-N 2.74Å; W30-S33 VanDerWaalsContact O-N 3.15Å; W30-S33 PolarHBondContact O-OG 2.9Å; K31-S33 PolarHBondContact O-N 3.44Å; S33-L35 PolarHBondContact O-N 2.96Å; S33-F36 PolarHBondContact O-N 2.79Å; S33-S37 WeakPolarHBondContact O-CB 3.49Å; S33-S37 PolarHBondContact O-N 3.44Å; S33-S37 PolarHBondContact O-OG 3.49Å; S33-S37 VanDerWaalsContact O-OG 3.06Å
34F97.1Very high96.2Very high112 Ų11264.4 Ų64.449%0.49132%0.32SS..Hα-helixtrans-63.1-42.4175.1-69.6-77.5000112.5W30 K31 K32 S37 A38 L150W30-F34 HydrophobicContact CE3-CE2 4.37Å; W30-F34 HydrophobicContact CH2-CE2 4.3Å; W30-F34 AromaticContact CZ3-CE2 3.65Å; W30-F34 HydrophobicContact CZ3-CE2 3.65Å; W30-F34 HydrophobicContact CZ3-CZ 4.37Å; K31-F34 WeakPolarHBondContact O-CB 3.07Å; K31-F34 WeakPolarHBondContact O-CD2 3.38Å; K31-F34 PolarHBondContact O-N 3.45Å; K31-F34 VanDerWaalsContact O-N 3.1Å; K32-F34 PolarHBondContact O-N 3.36Å; F34-S37 PolarHBondContact O-N 3.49Å; F34-A38 WeakPolarHBondContact O-CB 3.28Å; F34-A38 PolarHBondContact O-N 2.89Å; F34-L150 HydrophobicContact CB-CD2 4.43Å; F34-L150 HydrophobicContact CD1-CD1 4.48Å; F34-L150 HydrophobicContact CD1-CD2 3.62Å; F34-L150 HydrophobicContact CD2-CD2 4.39Å; F34-L150 HydrophobicContact CE1-CD1 4.35Å; F34-L150 HydrophobicContact CE1-CD2 3.88Å; F34-L150 HydrophobicContact CG-CD2 3.89Å; F34-L150 HydrophobicContact CZ-CD2 4.37Å
35L96.8Very high96.1Very high100 Ų10065.8 Ų65.852%0.52432%0.324SS..Hα-helixtrans-63-46.3176.117761.6000110.6K32 S33 S37 A38 L39K32-L35 WeakPolarHBondContact O-CB 3.27Å; K32-L35 PolarHBondContact O-N 2.85Å; K32-L35 VanDerWaalsContact O-N 3.09Å; S33-L35 PolarHBondContact O-N 2.96Å; L35-S37 PolarHBondContact O-N 2.86Å; L35-A38 PolarHBondContact O-N 3.07Å; L35-L39 HydrophobicContact CD1-CD1 4.2Å; L35-L39 HydrophobicContact CD1-CG 4.19Å; L35-L39 HydrophobicContact CG-CD1 4.11Å; L35-L39 WeakPolarHBondContact O-CB 3.22Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 2.82Å
36F96.9Very high96Very high72 Ų7263.6 Ų63.632%0.31633%0.329SS..Hα-helixtrans-61.4-41.7176.2-65.8-25.7000112.4K32 S33 L39 Y40 A121 L149 W153K32-F36 PolarHBondContact O-N 3.3Å; S33-F36 PolarHBondContact O-N 2.79Å; F36-L39 PolarHBondContact O-N 3.33Å; F36-Y40 WeakPolarHBondContact O-CB 3.26Å; F36-Y40 PolarHBondContact O-N 3.04Å; F36-A121 HydrophobicContact CD2-CB 4.3Å; F36-L149 HydrophobicContact CB-CD2 3.89Å; F36-W153 HydrophobicContact CD2-CH2 4.21Å; F36-W153 HydrophobicContact CD2-CZ2 4.49Å; F36-W153 AromaticContact CE2-CH2 3.66Å; F36-W153 HydrophobicContact CE2-CH2 3.66Å; F36-W153 HydrophobicContact CE2-CZ2 4.21Å; F36-W153 HydrophobicContact CE2-CZ3 4.27Å
37S96.9Very high95.9Very high9 Ų964.1 Ų64.16%0.06334%0.335CS..Hα-helixtrans-63.4-40.7174.5-63.60000112.8S33 F34 L35 Y40 A41S33-S37 WeakPolarHBondContact O-CB 3.49Å; S33-S37 PolarHBondContact O-N 3.44Å; S33-S37 PolarHBondContact O-OG 3.49Å; S33-S37 VanDerWaalsContact O-OG 3.06Å; F34-S37 PolarHBondContact O-N 3.49Å; L35-S37 PolarHBondContact O-N 2.86Å; S37-Y40 PolarHBondContact O-N 3.25Å; S37-A41 WeakPolarHBondContact O-CB 3.28Å; S37-A41 PolarHBondContact O-N 3.14Å
38A96.9Very high95.8Very high57 Ų5763.8 Ų63.847%0.47133%0.329SS..Hα-helixtrans-65.8-46.5177.100000111.7F34 L35 Y40 A41 A42F34-A38 WeakPolarHBondContact O-CB 3.28Å; F34-A38 PolarHBondContact O-N 2.89Å; L35-A38 PolarHBondContact O-N 3.07Å; A38-Y40 VanDerWaalsContact C-N 3.3Å; A38-Y40 PolarHBondContact O-N 3.22Å; A38-A41 PolarHBondContact O-N 3.21Å; A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 3.46Å
39L96.7Very high95.6Very high104 Ų10463.6 Ų63.655%0.54533%0.328SS..Hα-helixtrans-60.7-41.2175-71.1174.3000111.5L35 F36 A42 F43L35-L39 HydrophobicContact CD1-CD1 4.2Å; L35-L39 HydrophobicContact CD1-CG 4.19Å; L35-L39 HydrophobicContact CG-CD1 4.11Å; L35-L39 WeakPolarHBondContact O-CB 3.22Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 2.82Å; F36-L39 PolarHBondContact O-N 3.33Å; L39-A42 PolarHBondContact O-N 3.02Å; L39-F43 WeakPolarHBondContact O-CB 3Å; L39-F43 PolarHBondContact O-N 2.78Å
40Y96.9Very high95.5Very high11 Ų1166.9 Ų66.94%0.04335%0.345CS..Hα-helixtrans-63.6-44.6176.2173.1-104.4000112.7F36 S37 A38 F43 I44 L124 T127 W142 H145 I146F36-Y40 WeakPolarHBondContact O-CB 3.26Å; F36-Y40 PolarHBondContact O-N 3.04Å; S37-Y40 PolarHBondContact O-N 3.25Å; A38-Y40 VanDerWaalsContact C-N 3.3Å; A38-Y40 PolarHBondContact O-N 3.22Å; Y40-F43 WeakPolarHBondContact O-CB 3.15Å; Y40-F43 PolarHBondContact O-N 3.12Å; Y40-I44 HydrophobicContact CD1-CD1 3.81Å; Y40-I44 HydrophobicContact CE1-CD1 3.35Å; Y40-I44 HydrophobicContact CE1-CG1 4.45Å; Y40-I44 HydrophobicContact CE2-CD1 4.16Å; Y40-I44 HydrophobicContact CG-CD1 4.4Å; Y40-I44 WeakPolarHBondContact O-CG1 3.39Å; Y40-I44 PolarHBondContact O-N 3.15Å; Y40-L124 HydrophobicContact CD1-CD2 4.37Å; Y40-L124 HydrophobicContact CD2-CB 3.76Å; Y40-L124 HydrophobicContact CD2-CD1 4.11Å; Y40-L124 HydrophobicContact CD2-CD2 3.93Å; Y40-L124 HydrophobicContact CD2-CG 4.15Å; Y40-L124 HydrophobicContact CE1-CD2 4.37Å; Y40-L124 HydrophobicContact CE2-CB 3.88Å; Y40-L124 HydrophobicContact CE2-CD2 3.92Å; Y40-L124 HydrophobicContact CE2-CG 4.4Å; Y40-L124 HydrophobicContact CG-CD1 4.21Å; Y40-L124 HydrophobicContact CG-CD2 4.13Å; Y40-T127 HydrophobicContact CE2-CG2 3.95Å; Y40-T127 PolarHBondContact OH-OG1 2.86Å; Y40-W142 HydrophobicContact CE1-CB 4.16Å; Y40-H145 HydrophobicContact CE1-CB 4.31Å; Y40-I146 HydrophobicContact CD1-CD1 3.91Å; Y40-I146 HydrophobicContact CD1-CG1 3.54Å; Y40-I146 HydrophobicContact CE1-CD1 4.12Å; Y40-I146 HydrophobicContact CE1-CG1 3.69Å
41A95.9Very high95.5Very high25 Ų2565 Ų6521%0.20734%0.338CS..Hα-helixtrans-61.8-47174.700000111.2S37 A38 F43 I44 F45 I146S37-A41 WeakPolarHBondContact O-CB 3.28Å; S37-A41 PolarHBondContact O-N 3.14Å; A38-A41 PolarHBondContact O-N 3.21Å; A41-F43 VanDerWaalsContact C-N 3.29Å; A41-F43 PolarHBondContact O-N 2.9Å; A41-I44 WeakPolarHBondContact O-CB 3.46Å; A41-I44 PolarHBondContact O-N 3.12Å; A41-I44 VanDerWaalsContact O-N 3.09Å; A41-F45 HydrophobicContact CB-CE2 4.5Å; A41-F45 WeakPolarHBondContact O-CD2 3.15Å; A41-F45 PolarHBondContact O-N 3.17Å; A41-F45 VanDerWaalsContact O-N 3.12Å; A41-I146 HydrophobicContact CB-CD1 4.49Å
42A96.3Very high95.2Very high63 Ų6364 Ų6452%0.52134%0.34SS..Hα-helixtrans-57.5-42.8175.200000111.7A38 L39 I44 F45 G46A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 3.46Å; L39-A42 PolarHBondContact O-N 3.02Å; A42-I44 PolarHBondContact O-N 2.74Å; A42-F45 PolarHBondContact O-N 3.04Å; A42-G46 PolarHBondContact O-N 2.66Å
43F95.8Very high95Very high76 Ų7668.1 Ų68.133%0.33336%0.358SS..Hα-helixtrans-62.8-38.8175177.2-93.9000112.5L39 Y40 A41 G47 I128 I131L39-F43 WeakPolarHBondContact O-CB 3Å; L39-F43 PolarHBondContact O-N 2.78Å; Y40-F43 WeakPolarHBondContact O-CB 3.15Å; Y40-F43 PolarHBondContact O-N 3.12Å; A41-F43 VanDerWaalsContact C-N 3.29Å; A41-F43 PolarHBondContact O-N 2.9Å; F43-G47 VanDerWaalsContact O-CA 3.22Å; F43-G47 WeakPolarHBondContact O-CA 3.47Å; F43-G47 PolarHBondContact O-N 3.3Å; F43-I128 HydrophobicContact CD1-CG1 4.36Å; F43-I128 HydrophobicContact CE1-CB 4.15Å; F43-I128 HydrophobicContact CE1-CG1 3.63Å; F43-I128 HydrophobicContact CE1-CG2 4.44Å; F43-I128 HydrophobicContact CZ-CB 4.18Å; F43-I128 HydrophobicContact CZ-CG1 3.85Å; F43-I128 HydrophobicContact CZ-CG2 3.96Å; F43-I131 HydrophobicContact CD1-CD1 4.21Å; F43-I131 HydrophobicContact CE1-CD1 3.88Å
44I95.2Very high94.8Very high3 Ų374.4 Ų74.42%0.01538%0.381CS..Hα-helixtrans-60.7-52176.4-73.3164.3000111.2Y40 A41 A42 R48 T127 I131 L137 W142Y40-I44 HydrophobicContact CD1-CD1 3.81Å; Y40-I44 HydrophobicContact CE1-CD1 3.35Å; Y40-I44 HydrophobicContact CE1-CG1 4.45Å; Y40-I44 HydrophobicContact CE2-CD1 4.16Å; Y40-I44 HydrophobicContact CG-CD1 4.4Å; Y40-I44 WeakPolarHBondContact O-CG1 3.39Å; Y40-I44 PolarHBondContact O-N 3.15Å; A41-I44 WeakPolarHBondContact O-CB 3.46Å; A41-I44 PolarHBondContact O-N 3.12Å; A41-I44 VanDerWaalsContact O-N 3.09Å; A42-I44 PolarHBondContact O-N 2.74Å; I44-R48 VanDerWaalsContact O-CB 3.31Å; I44-R48 WeakPolarHBondContact O-CB 3.27Å; I44-R48 WeakPolarHBondContact O-CG 3.44Å; I44-R48 PolarHBondContact O-N 3.22Å; I44-R48 VanDerWaalsContact O-N 3.09Å; I44-T127 HydrophobicContact CD1-CG2 4.17Å; I44-T127 HydrophobicContact CG1-CG2 3.7Å; I44-I131 HydrophobicContact CB-CD1 4.35Å; I44-I131 HydrophobicContact CG1-CD1 4.16Å; I44-L137 HydrophobicContact CB-CD2 4.49Å; I44-L137 HydrophobicContact CD1-CD2 4.31Å; I44-L137 HydrophobicContact CG1-CD2 4.04Å; I44-L137 HydrophobicContact CG2-CD2 3.68Å; I44-W142 HydrophobicContact CD1-CB 3.54Å; I44-W142 HydrophobicContact CD1-CG 4.2Å
45F93.6Very high94.5Very high135 Ų13573 Ų7359%0.59239%0.39SS*.Hα-helixtrans-70.9-47.1-176.1-65-69.4000111.4A41 A42 H49A41-F45 HydrophobicContact CB-CE2 4.5Å; A41-F45 WeakPolarHBondContact O-CD2 3.15Å; A41-F45 PolarHBondContact O-N 3.17Å; A41-F45 VanDerWaalsContact O-N 3.12Å; A42-F45 PolarHBondContact O-N 3.04Å; F45-H49 PolarHBondContact O-N 3.06Å; F45-H49 VanDerWaalsContact O-N 3.09Å
46G94.6Very high94.4Very high42 Ų4274.3 Ų74.343%0.43339%0.391SS..Hα-helixtrans-65.9-45178.100000112.8A42 R48 H49 L50A42-G46 PolarHBondContact O-N 2.66Å; G46-R48 PolarHBondContact O-N 2.81Å; G46-H49 PolarHBondContact O-N 2.97Å; G46-L50 WeakPolarHBondContact O-CB 3.49Å; G46-L50 PolarHBondContact O-N 3.32Å
47G93.2Very high94.2Very high11 Ų1175 Ų7511%0.11339%0.394CS..Hα-helixtrans-62.9-41.8178.800000112.5F43 M51F43-G47 VanDerWaalsContact O-CA 3.22Å; F43-G47 WeakPolarHBondContact O-CA 3.47Å; F43-G47 PolarHBondContact O-N 3.3Å; G47-M51 VanDerWaalsContact O-CB 3.27Å; G47-M51 WeakPolarHBondContact O-CB 3.47Å; G47-M51 VanDerWaalsContact O-CG 3.24Å; G47-M51 WeakPolarHBondContact O-CG 3.49Å; G47-M51 PolarHBondContact O-N 2.9Å
48R92.9Very high93.9Very high93 Ų9381 Ų8135%0.35142%0.421SS..Hα-helixtrans-61.8-47.4172.2-78177.4176.8-166.64.5111.8I44 G46 L50 M51 N52 I131 L137I44-R48 VanDerWaalsContact O-CB 3.31Å; I44-R48 WeakPolarHBondContact O-CB 3.27Å; I44-R48 WeakPolarHBondContact O-CG 3.44Å; I44-R48 PolarHBondContact O-N 3.22Å; I44-R48 VanDerWaalsContact O-N 3.09Å; G46-R48 PolarHBondContact O-N 2.81Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 2.85Å; R48-M51 PolarHBondContact O-N 2.91Å; R48-N52 PolarHBondContact O-N 3.09Å; R48-N52 PolarHBondContact O-ND2 3.49Å; R48-N52 PolarHBondContact O-OD1 2.81Å; R48-I131 HydrophobicContact CG-CD1 4.47Å; R48-I131 HydrophobicContact CG-CG1 4.36Å; R48-L137 VanDerWaalsContact NH2-CD2 3.33Å; R48-L137 PolarHBondContact NH2-O 3.49Å
49H93.5Very high93.7Very high122 Ų12280 Ų8057%0.56541%0.408SS*.Hα-helixtrans-60-44.2179.7-174.885000111.9F45 G46 N52F45-H49 PolarHBondContact O-N 3.06Å; F45-H49 VanDerWaalsContact O-N 3.09Å; G46-H49 PolarHBondContact O-N 2.97Å; H49-N52 WeakPolarHBondContact O-CB 3.45Å; H49-N52 PolarHBondContact O-N 3.46Å
50L94.2Very high93.5Very high90 Ų9081.2 Ų81.247%0.47141%0.405SS..Hα-helixtrans-65.9-44.6177.9-176.964.4000112.1G46 R48 N52 K53G46-L50 WeakPolarHBondContact O-CB 3.49Å; G46-L50 PolarHBondContact O-N 3.32Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 2.85Å; L50-N52 VanDerWaalsContact C-N 3.25Å; L50-N52 PolarHBondContact O-N 3.1Å; L50-K53 PolarHBondContact O-N 3.26Å
51M93.9Very high93.3Very high9 Ų989.4 Ų89.44%0.04444%0.441CS..Hα-helixtrans-67.9-23.7-179-75.3-60-60.200112.9G47 R48 K53 R54 A55 F57 I131 L132 K134G47-M51 VanDerWaalsContact O-CB 3.27Å; G47-M51 WeakPolarHBondContact O-CB 3.47Å; G47-M51 VanDerWaalsContact O-CG 3.24Å; G47-M51 WeakPolarHBondContact O-CG 3.49Å; G47-M51 PolarHBondContact O-N 2.9Å; R48-M51 PolarHBondContact O-N 2.91Å; M51-K53 PolarHBondContact O-N 3.38Å; M51-K53 VanDerWaalsContact O-N 3.17Å; M51-R54 PolarHBondContact O-N 3.4Å; M51-R54 VanDerWaalsContact O-O 3.11Å; M51-R54 HydrophobicContact SD-CB 4.33Å; M51-A55 WeakPolarHBondContact CE-O 3.39Å; M51-F57 HydrophobicContact CE-CD2 3.76Å; M51-F57 HydrophobicContact CE-CE2 3.91Å; M51-F57 HydrophobicContact SD-CD2 4.02Å; M51-F57 HydrophobicContact SD-CE2 3.64Å; M51-I131 HydrophobicContact CG-CG2 3.96Å; M51-L132 WeakPolarHBondContact CE-O 3.48Å; M51-L132 HydrophobicContact CG-CD2 4.39Å; M51-L132 HydrophobicContact SD-CD2 3.92Å; M51-K134 HydrophobicContact CE-CG 4.04Å; M51-K134 WeakPolarHBondContact O-CE 3.39Å; M51-K134 PolarHBondContact O-NZ 2.81Å
52N90Very high93.4Very high119 Ų11991.2 Ų91.264%0.63645%0.451SS*.Hα-helixtrans-55.3-35.4175.3-72.4-16.7000112.1R48 H49 L50R48-N52 PolarHBondContact O-N 3.09Å; R48-N52 PolarHBondContact O-ND2 3.49Å; R48-N52 PolarHBondContact O-OD1 2.81Å; H49-N52 WeakPolarHBondContact O-CB 3.45Å; H49-N52 PolarHBondContact O-N 3.46Å; L50-N52 VanDerWaalsContact C-N 3.25Å; L50-N52 PolarHBondContact O-N 3.1Å
53K92Very high93.3Very high177 Ų17789.2 Ų89.277%0.7743%0.431SS*.THydrogen-bonded Turntrans-89.7-4.4-179.9-59.2-176.9-177.7179.70114.5L50 M51L50-K53 PolarHBondContact O-N 3.26Å; M51-K53 PolarHBondContact O-N 3.38Å; M51-K53 VanDerWaalsContact O-N 3.17Å
54R91.4Very high93.4Very high133 Ų13387.2 Ų87.250%0.50243%0.426SS..SBendtrans-114.2160-174.8-64.9-173.5178.1-152.9-0.9112.1M51 K134M51-R54 PolarHBondContact O-N 3.4Å; M51-R54 VanDerWaalsContact O-O 3.11Å; M51-R54 HydrophobicContact SD-CB 4.33Å; R54-K134 WeakPolarHBondContact O-CE 3.39Å; R54-K134 PolarHBondContact O-NZ 3.18Å
55A91.8Very high93.5Very high82 Ų8292.6 Ų92.668%0.67845%0.454SS*.PPolyproline II helixtrans-70.3159.1168.800000111.2M51M51-A55 WeakPolarHBondContact CE-O 3.39Å
56K93.6Very high93.7Very high127 Ų12789.6 Ų89.655%0.55244%0.438SS*.PPolyproline II helixtrans-65.4144.7172.663.9175.9-176.3164.80110E58 K134K56-E58 VanDerWaalsContact CE-OE1 3.3Å; K56-E58 WeakPolarHBondContact CE-OE1 3.3Å; K56-E58 IonicContact NZ-OE1 3.54Å; K56-E58 PolarHBondContact NZ-OE1 2.94Å; K56-K134 HydrophobicContact CB-CB 4.35Å; K56-K134 HydrophobicContact CB-CD 4.3Å; K56-K134 HydrophobicContact CB-CG 4.17Å
57F92.4Very high93.8Very high86 Ų8687.7 Ų87.738%0.37742%0.418SS..PPolyproline II helixtrans-89.1141173.3-68.8-83.3000111.7M51 L59 L132M51-F57 HydrophobicContact CE-CD2 3.76Å; M51-F57 HydrophobicContact CE-CE2 3.91Å; M51-F57 HydrophobicContact SD-CD2 4.02Å; M51-F57 HydrophobicContact SD-CE2 3.64Å; F57-L59 HydrophobicContact CB-CD1 4.03Å; F57-L59 HydrophobicContact CB-CD2 4.27Å; F57-L59 HydrophobicContact CB-CG 3.76Å; F57-L59 PolarHBondContact O-N 3.2Å; F57-L132 HydrophobicContact CD2-CB 4.11Å; F57-L132 HydrophobicContact CD2-CD2 4.1Å; F57-L132 HydrophobicContact CE2-CD2 4.17Å; F57-L132 PolarHBondContact N-O 3.43Å
58E91.8Very high94Very high135 Ų13591.4 Ų91.463%0.63144%0.435SS*.  trans-88.175.7174-68.9-60.3147.400110.7K56 R60K56-E58 VanDerWaalsContact CE-OE1 3.3Å; K56-E58 WeakPolarHBondContact CE-OE1 3.3Å; K56-E58 IonicContact NZ-OE1 3.54Å; K56-E58 PolarHBondContact NZ-OE1 2.94Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 3.45Å
59L92.5Very high94.2Very high37 Ų3790.9 Ų90.919%0.19444%0.442CS..  trans-93.132.2-176.4-61.4173000113.4F57 P62 L63 F129 L132 R133F57-L59 HydrophobicContact CB-CD1 4.03Å; F57-L59 HydrophobicContact CB-CD2 4.27Å; F57-L59 HydrophobicContact CB-CG 3.76Å; F57-L59 PolarHBondContact O-N 3.2Å; L59-P62 WeakPolarHBondContact O-CD 3.46Å; L59-L63 WeakPolarHBondContact O-CB 3.33Å; L59-L63 PolarHBondContact O-N 2.88Å; L59-F129 HydrophobicContact CB-CD1 4.08Å; L59-F129 HydrophobicContact CB-CE1 4.27Å; L59-F129 HydrophobicContact CD1-CD1 4.12Å; L59-F129 HydrophobicContact CD1-CE1 4.48Å; L59-L132 HydrophobicContact CD1-CB 3.58Å; L59-L132 HydrophobicContact CD1-CD1 3.66Å; L59-L132 HydrophobicContact CD1-CG 4.29Å; L59-R133 HydrophobicContact CB-CG 4.32Å; L59-R133 HydrophobicContact CD1-CG 4.5Å
60R91.8Very high94.5Very high129 Ų12985.7 Ų85.749%0.48742%0.419SS..Hα-helixtrans-64.3-50.1-172.5-171.9172.6172-173.1-12.1112.9E58 L63 V64 A185 A186E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 3.45Å; R60-L63 PolarHBondContact O-N 3.24Å; R60-V64 WeakPolarHBondContact O-CG2 3.49Å; R60-V64 PolarHBondContact O-N 3.38Å; R60-A185 WeakPolarHBondContact CD-O 3.11Å; R60-A185 WeakPolarHBondContact CG-O 3.5Å; R60-A185 PolarHBondContact NE-O 2.71Å; R60-A186 VanDerWaalsContact NH2-C 3.3Å; R60-A186 PolarHBondContact NH2-O 3.11Å
61K94.1Very high94.6Very high183 Ų18381.5 Ų81.580%0.79640%0.397SS*.Hα-helixtrans-63.4-48.1179.9-60.2179.7-179.7-179.70112.1L63 V64 L65K61-L63 VanDerWaalsContact C-N 3.31Å; K61-L63 PolarHBondContact O-N 3.36Å; K61-V64 PolarHBondContact O-N 3.27Å; K61-L65 PolarHBondContact O-N 2.87Å; K61-L65 VanDerWaalsContact O-N 3.08Å
62P96.3Very high94.8Very high63 Ų6384.2 Ų84.241%0.40941%0.414SS..Hα-helixtrans-58.8-40.3174.3-26.636.2000113.1L59 V64 L65 W66 F129L59-P62 WeakPolarHBondContact O-CD 3.46Å; P62-V64 PolarHBondContact O-N 3.06Å; P62-L65 PolarHBondContact O-N 3.33Å; P62-W66 WeakPolarHBondContact O-CB 3.42Å; P62-W66 PolarHBondContact O-N 3.25Å; P62-F129 HydrophobicContact CB-CE1 3.97Å; P62-F129 HydrophobicContact CB-CZ 4.33Å
63L95.4Very high95.2Very high21 Ų2181 Ų8111%0.1139%0.394CS..Hα-helixtrans-63.8-40.1177.2179.362.9000112.3L59 R60 K61 W66 S67 F129 R133 A185L59-L63 WeakPolarHBondContact O-CB 3.33Å; L59-L63 PolarHBondContact O-N 2.88Å; R60-L63 PolarHBondContact O-N 3.24Å; K61-L63 VanDerWaalsContact C-N 3.31Å; K61-L63 PolarHBondContact O-N 3.36Å; L63-W66 PolarHBondContact O-N 3.05Å; L63-S67 WeakPolarHBondContact O-CB 3.41Å; L63-S67 PolarHBondContact O-N 3.49Å; L63-S67 PolarHBondContact O-OG 2.92Å; L63-S67 VanDerWaalsContact O-OG 3.14Å; L63-F129 HydrophobicContact CB-CD1 4.12Å; L63-F129 HydrophobicContact CB-CE1 4.27Å; L63-F129 HydrophobicContact CD1-CB 4.01Å; L63-F129 HydrophobicContact CD1-CD1 4.19Å; L63-F129 HydrophobicContact CD1-CD2 4.05Å; L63-F129 HydrophobicContact CD1-CG 3.81Å; L63-R133 VanDerWaalsContact CD2-NH1 3.28Å; L63-A185 HydrophobicContact CD2-CB 4.01Å; L63-A185 HydrophobicContact CG-CB 3.93Å
64V96.7Very high95.5Very high35 Ų3572.6 Ų72.621%0.21236%0.358CS..Hα-helixtrans-60.4-51.3174.8172.50000110.5R60 K61 P62 W66 S67 L68 A185 A186R60-V64 WeakPolarHBondContact O-CG2 3.49Å; R60-V64 PolarHBondContact O-N 3.38Å; K61-V64 PolarHBondContact O-N 3.27Å; P62-V64 PolarHBondContact O-N 3.06Å; V64-W66 VanDerWaalsContact C-N 3.31Å; V64-W66 PolarHBondContact O-N 3.21Å; V64-S67 PolarHBondContact O-N 3.03Å; V64-L68 WeakPolarHBondContact O-CB 3.34Å; V64-L68 PolarHBondContact O-N 3.4Å; V64-A185 HydrophobicContact CB-CB 4.43Å; V64-A185 HydrophobicContact CG2-CB 3.49Å; V64-A185 VanDerWaalsContact CG2-CB 3.49Å; V64-A185 WeakPolarHBondContact CG2-O 3.4Å; V64-A186 HydrophobicContact CG1-CB 4.4Å; V64-A186 HydrophobicContact CG2-CB 4.14Å; V64-A186 VanDerWaalsContact CG2-N 3.31Å
65L97.3Very high95.8Very high115 Ų11569.4 Ų69.460%0.60235%0.35SS*.Hα-helixtrans-61.6-42.7-179.1-179.561.3000111.4K61 P62 L68 T69K61-L65 PolarHBondContact O-N 2.87Å; K61-L65 VanDerWaalsContact O-N 3.08Å; P62-L65 PolarHBondContact O-N 3.33Å; L65-L68 PolarHBondContact O-N 3.03Å; L65-T69 WeakPolarHBondContact O-CB 3.37Å; L65-T69 PolarHBondContact O-N 3.48Å; L65-T69 PolarHBondContact O-OG1 2.6Å
66W97.8Very high96.1Very high72 Ų7270 Ų7027%0.27334%0.338SS..Hα-helixtrans-60.1-55.6176.6178.8-97.5000112P62 L63 V64 L68 T69 L70 P122 D126 F129P62-W66 WeakPolarHBondContact O-CB 3.42Å; P62-W66 PolarHBondContact O-N 3.25Å; L63-W66 PolarHBondContact O-N 3.05Å; V64-W66 VanDerWaalsContact C-N 3.31Å; V64-W66 PolarHBondContact O-N 3.21Å; W66-L68 VanDerWaalsContact C-N 3.29Å; W66-L68 PolarHBondContact O-N 2.82Å; W66-T69 PolarHBondContact O-N 3.48Å; W66-L70 HydrophobicContact CZ2-CD1 4.07Å; W66-L70 PolarHBondContact O-N 2.96Å; W66-P122 HydrophobicContact CH2-CB 4.21Å; W66-P122 VanDerWaalsContact CH2-O 3.26Å; W66-P122 WeakPolarHBondContact CH2-O 3.23Å; W66-P122 WeakPolarHBondContact CZ2-O 3.49Å; W66-D126 PolarHBondContact NE1-OD1 2.89Å; W66-F129 HydrophobicContact CB-CE2 3.85Å; W66-F129 HydrophobicContact CB-CZ 4Å; W66-F129 AromaticContact CD1-CE2 3.66Å; W66-F129 AromaticContact CD2-CE2 3.8Å; W66-F129 HydrophobicContact CD2-CE2 3.8Å; W66-F129 HydrophobicContact CE3-CE2 4.45Å; W66-F129 HydrophobicContact CG-CD2 4.3Å; W66-F129 AromaticContact CG-CE2 3.48Å; W66-F129 HydrophobicContact CG-CE2 3.48Å; W66-F129 VanDerWaalsContact CG-CE2 3.48Å; W66-F129 HydrophobicContact CG-CZ 4.11Å
67S97.3Very high96.2Very high2 Ų264 Ų641%0.01431%0.312CS..Hα-helixtrans-62.9-35.9178.8-63.20000112.3L63 V64 A71L63-S67 WeakPolarHBondContact O-CB 3.41Å; L63-S67 PolarHBondContact O-N 3.49Å; L63-S67 PolarHBondContact O-OG 2.92Å; L63-S67 VanDerWaalsContact O-OG 3.14Å; V64-S67 PolarHBondContact O-N 3.03Å; S67-A71 VanDerWaalsContact O-CB 3.27Å; S67-A71 WeakPolarHBondContact O-CB 3.39Å; S67-A71 PolarHBondContact O-N 2.82Å
68L97.6Very high96.4Very high89 Ų8961 Ų6147%0.46630%0.303SS..Hα-helixtrans-66.7-41.8176-17862.6000111.4V64 L65 W66 A71 V72 A182V64-L68 WeakPolarHBondContact O-CB 3.34Å; V64-L68 PolarHBondContact O-N 3.4Å; L65-L68 PolarHBondContact O-N 3.03Å; W66-L68 VanDerWaalsContact C-N 3.29Å; W66-L68 PolarHBondContact O-N 2.82Å; L68-A71 WeakPolarHBondContact O-CB 3.2Å; L68-A71 PolarHBondContact O-N 3.33Å; L68-V72 HydrophobicContact CD1-CG2 4.27Å; L68-V72 HydrophobicContact CG-CG2 4.46Å; L68-V72 WeakPolarHBondContact O-CG2 3.37Å; L68-V72 PolarHBondContact O-N 2.86Å; L68-A182 HydrophobicContact CB-CB 4.27Å
69T98Very high96.6Very high82 Ų8259.8 Ų59.850%0.50330%0.3SS..Hα-helixtrans-60.6-47.8177-57.60000110.7L65 W66 A71 V72 F73L65-T69 WeakPolarHBondContact O-CB 3.37Å; L65-T69 PolarHBondContact O-N 3.48Å; L65-T69 PolarHBondContact O-OG1 2.6Å; W66-T69 PolarHBondContact O-N 3.48Å; T69-A71 VanDerWaalsContact C-N 3.32Å; T69-A71 PolarHBondContact O-N 2.92Å; T69-V72 PolarHBondContact O-N 3.39Å; T69-F73 VanDerWaalsContact O-CB 3.3Å; T69-F73 WeakPolarHBondContact O-CB 3.33Å; T69-F73 PolarHBondContact O-N 3.28Å
70L97.9Very high96.7Very high13 Ų1358.5 Ų58.57%0.06829%0.292CS..Hα-helixtrans-65.8-33.9176.6-67.6178.4000112.7W66 S74 E123 Y178W66-L70 HydrophobicContact CZ2-CD1 4.07Å; W66-L70 PolarHBondContact O-N 2.96Å; L70-S74 VanDerWaalsContact O-CB 3.26Å; L70-S74 WeakPolarHBondContact O-CB 3.39Å; L70-S74 PolarHBondContact O-N 2.85Å; L70-S74 PolarHBondContact O-OG 3.15Å; L70-E123 HydrophobicContact CD2-CG 4.49Å; L70-Y178 HydrophobicContact CB-CD1 3.86Å; L70-Y178 HydrophobicContact CB-CD2 3.73Å; L70-Y178 HydrophobicContact CB-CE1 4.1Å; L70-Y178 HydrophobicContact CB-CE2 3.96Å; L70-Y178 HydrophobicContact CB-CG 3.69Å; L70-Y178 HydrophobicContact CD1-CD1 4.02Å; 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 4.42Å
71A98.1Very high96.8Very high2 Ų252.3 Ų52.32%0.01727%0.269CS..Hα-helixtrans-63.9-51.8173.800000111.4S67 L68 T69 F73 S74 I75S67-A71 VanDerWaalsContact O-CB 3.27Å; S67-A71 WeakPolarHBondContact O-CB 3.39Å; S67-A71 PolarHBondContact O-N 2.82Å; L68-A71 WeakPolarHBondContact O-CB 3.2Å; L68-A71 PolarHBondContact O-N 3.33Å; T69-A71 VanDerWaalsContact C-N 3.32Å; T69-A71 PolarHBondContact O-N 2.92Å; A71-F73 PolarHBondContact O-N 3.44Å; A71-S74 PolarHBondContact O-N 3.44Å; A71-I75 WeakPolarHBondContact O-CB 3.45Å; A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.38Å; A71-I75 PolarHBondContact O-N 2.86Å
72V98.2Very high96.9Very high66 Ų6644.4 Ų44.440%0.424%0.239SC..Hα-helixtrans-59-49.6178.7171.40000110.3L68 T69 S74 I75 F76L68-V72 HydrophobicContact CD1-CG2 4.27Å; L68-V72 HydrophobicContact CG-CG2 4.46Å; L68-V72 WeakPolarHBondContact O-CG2 3.37Å; L68-V72 PolarHBondContact O-N 2.86Å; T69-V72 PolarHBondContact O-N 3.39Å; V72-S74 VanDerWaalsContact C-N 3.31Å; V72-S74 PolarHBondContact O-N 3.15Å; V72-I75 PolarHBondContact O-N 3Å; V72-F76 HydrophobicContact CG1-CD2 3.73Å; V72-F76 HydrophobicContact CG1-CE2 3.7Å; V72-F76 VanDerWaalsContact O-CD2 3.29Å; V72-F76 WeakPolarHBondContact O-CD2 3.24Å; V72-F76 PolarHBondContact O-N 3.32Å
73F98.1Very high96.7Very high51 Ų5142.1 Ų42.122%0.22423%0.226CC..Hα-helixtrans-53.8-48175.5172.3-106.8000111.9T69 A71 F76 G77 W112 A115 S119 Y171T69-F73 VanDerWaalsContact O-CB 3.3Å; T69-F73 WeakPolarHBondContact O-CB 3.33Å; T69-F73 PolarHBondContact O-N 3.28Å; A71-F73 PolarHBondContact O-N 3.44Å; F73-F76 PolarHBondContact O-N 3.42Å; F73-G77 PolarHBondContact O-N 3.47Å; F73-W112 HydrophobicContact CD2-CZ3 4.14Å; F73-W112 HydrophobicContact CE2-CE3 4.44Å; F73-W112 HydrophobicContact CE2-CZ3 4.07Å; F73-A115 HydrophobicContact CE2-CB 3.92Å; F73-A115 HydrophobicContact CZ-CB 4.01Å; F73-S119 VanDerWaalsContact CE1-CB 3.44Å; F73-Y171 HydrophobicContact CD1-CE1 4.18Å; F73-Y171 AromaticContact CE1-CE1 3.57Å; F73-Y171 HydrophobicContact CE1-CE1 3.57Å; F73-Y171 AromaticContact CZ-CE1 3.8Å; F73-Y171 HydrophobicContact CZ-CE1 3.8Å; F73-Y171 WeakPolarHBondContact CZ-OH 3.33Å
74S98.1Very high96.6Very high1 Ų142.1 Ų42.11%0.00722%0.224CC..Hα-helixtrans-70-34.2-178.6-56.50000113.2L70 A71 V72 A78L70-S74 VanDerWaalsContact O-CB 3.26Å; L70-S74 WeakPolarHBondContact O-CB 3.39Å; L70-S74 PolarHBondContact O-N 2.85Å; L70-S74 PolarHBondContact O-OG 3.15Å; A71-S74 PolarHBondContact O-N 3.44Å; V72-S74 VanDerWaalsContact C-N 3.31Å; V72-S74 PolarHBondContact O-N 3.15Å; S74-A78 WeakPolarHBondContact O-CB 3.49Å; S74-A78 PolarHBondContact O-N 3.36Å
75I98.1Very high96.5Very high66 Ų6640.8 Ų40.834%0.33822%0.216SC..Hα-helixtrans-63.9-50.7175.8-71.5162.1000109.9A71 V72 A78 L79 A175A71-I75 WeakPolarHBondContact O-CB 3.45Å; A71-I75 WeakPolarHBondContact O-CD1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.38Å; A71-I75 PolarHBondContact O-N 2.86Å; V72-I75 PolarHBondContact O-N 3Å; I75-A78 PolarHBondContact O-N 3.08Å; I75-L79 HydrophobicContact CG2-CD1 3.94Å; I75-L79 HydrophobicContact CG2-CG 4.47Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.47Å; I75-L79 PolarHBondContact O-N 3.48Å; I75-A175 HydrophobicContact CB-CB 4.48Å; I75-A175 HydrophobicContact CG1-CB 3.7Å
76F96.4Very high96.4Very high96 Ų9638.6 Ų38.642%0.42121%0.207SC..Hα-helixtrans-63.5-43.7178.3-79.3-75.9000111.3V72 F73 A78 L79 R80 W112V72-F76 HydrophobicContact CG1-CD2 3.73Å; V72-F76 HydrophobicContact CG1-CE2 3.7Å; V72-F76 VanDerWaalsContact O-CD2 3.29Å; V72-F76 WeakPolarHBondContact O-CD2 3.24Å; V72-F76 PolarHBondContact O-N 3.32Å; F73-F76 PolarHBondContact O-N 3.42Å; F76-A78 PolarHBondContact O-N 3.07Å; F76-L79 PolarHBondContact O-N 3.35Å; F76-R80 WeakPolarHBondContact O-CB 3.46Å; F76-R80 WeakPolarHBondContact O-CG 3.32Å; F76-R80 PolarHBondContact O-N 3.43Å; F76-W112 HydrophobicContact CB-CH2 3.36Å; F76-W112 HydrophobicContact CB-CZ2 3.93Å; F76-W112 HydrophobicContact CB-CZ3 4.04Å; F76-W112 HydrophobicContact CG-CH2 4.45Å
77G96.8Very high96.1Very high0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-55.6-49.4173.600000112.3F73 L79 R80 T81F73-G77 PolarHBondContact O-N 3.47Å; G77-L79 PolarHBondContact O-N 2.88Å; G77-R80 PolarHBondContact O-N 3.34Å; G77-T81 WeakPolarHBondContact O-CB 3.49Å; G77-T81 WeakPolarHBondContact O-CG2 3.23Å; G77-T81 PolarHBondContact O-N 3.14Å; G77-T81 PolarHBondContact O-OG1 3.38Å
78A97.2Very high95.8Very high22 Ų2240.5 Ų40.518%0.18222%0.215CC..Hα-helixtrans-62.2-41.518000000112.8S74 I75 F76 G82S74-A78 WeakPolarHBondContact O-CB 3.49Å; S74-A78 PolarHBondContact O-N 3.36Å; I75-A78 PolarHBondContact O-N 3.08Å; F76-A78 PolarHBondContact O-N 3.07Å; A78-G82 WeakPolarHBondContact O-CA 3.49Å; A78-G82 PolarHBondContact O-N 3.1Å
79L95.4Very high95.7Very high110 Ų11039.2 Ų39.258%0.57621%0.209SC*.Hα-helixtrans-66.6-45.5178.9-71.2172.9000111.4I75 F76 G77 A83I75-L79 HydrophobicContact CG2-CD1 3.94Å; I75-L79 HydrophobicContact CG2-CG 4.47Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.47Å; I75-L79 PolarHBondContact O-N 3.48Å; F76-L79 PolarHBondContact O-N 3.35Å; G77-L79 PolarHBondContact O-N 2.88Å; L79-A83 WeakPolarHBondContact O-CB 3.29Å; L79-A83 PolarHBondContact O-N 3.44Å
80R93.5Very high95.4Very high10 Ų1042.9 Ų42.94%0.03822%0.222CC..Hα-helixtrans-72.3-50.4-176-62.8-63.7-72.4175.3-4.3111.5T7 Q9 E14 F76 G77 Y84 V108 W112T7-R80 PolarHBondContact O-NH1 3.12Å; Q9-R80 PolarHBondContact O-NH1 3.25Å; Q9-R80 VanDerWaalsContact O-NH1 3.14Å; Q9-R80 PolarHBondContact O-NH2 2.9Å; E14-R80 IonicContact OE1-CZ 3Å; E14-R80 IonicContact OE1-NE 3.23Å; E14-R80 PolarHBondContact OE1-NE 2.86Å; E14-R80 IonicContact OE1-NH2 3.8Å; E14-R80 PolarHBondContact OE1-NH2 2.64Å; E14-R80 IonicContact OE2-CZ 3.79Å; E14-R80 IonicContact OE2-NE 3.77Å; E14-R80 IonicContact OE2-NH2 3.51Å; E14-R80 PolarHBondContact OE2-NH2 3.15Å; F76-R80 WeakPolarHBondContact O-CB 3.46Å; F76-R80 WeakPolarHBondContact O-CG 3.32Å; F76-R80 PolarHBondContact O-N 3.43Å; G77-R80 PolarHBondContact O-N 3.34Å; R80-Y84 PolarHBondContact O-N 2.99Å; R80-V108 HydrophobicContact CB-CG1 3.86Å; R80-V108 HydrophobicContact CG-CG1 4.49Å; R80-V108 VanDerWaalsContact NE-CG1 3.31Å; R80-W112 HydrophobicContact CB-CD2 4.38Å; R80-W112 HydrophobicContact CB-CG 4.18Å; R80-W112 HydrophobicContact CG-CZ2 4.03Å
81T95.6Very high95.1Very high0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-71.6-34.317872.80000111.5G77 Y84 M85 F103 W112 T168 Y171G77-T81 WeakPolarHBondContact O-CB 3.49Å; G77-T81 WeakPolarHBondContact O-CG2 3.23Å; G77-T81 PolarHBondContact O-N 3.14Å; G77-T81 PolarHBondContact O-OG1 3.38Å; T81-Y84 PolarHBondContact O-N 3.01Å; T81-M85 VanDerWaalsContact O-CG 3.29Å; T81-M85 WeakPolarHBondContact O-CG 3.42Å; T81-M85 PolarHBondContact O-N 2.87Å; T81-F103 HydrophobicContact CG2-CE2 4.19Å; T81-F103 HydrophobicContact CG2-CZ 3.7Å; T81-W112 HydrophobicContact CG2-CB 3.55Å; T81-W112 HydrophobicContact CG2-CG 4.28Å; T81-T168 VanDerWaalsContact CB-OG1 3.26Å; T81-T168 WeakPolarHBondContact CB-OG1 3.39Å; T81-T168 WeakPolarHBondContact OG1-CB 3.29Å; T81-T168 PolarHBondContact OG1-OG1 3.18Å; T81-Y171 HydrophobicContact CG2-CD2 4.23Å; T81-Y171 HydrophobicContact CG2-CE2 4.16Å
82G95Very high94.8Very high16 Ų1651.8 Ų51.817%0.16527%0.266CS..Hα-helixtrans-61.8-44.1174.900000112.9A78 Y84 M85 V86A78-G82 WeakPolarHBondContact O-CA 3.49Å; A78-G82 PolarHBondContact O-N 3.1Å; G82-Y84 VanDerWaalsContact C-N 3.34Å; G82-Y84 PolarHBondContact O-N 3.46Å; G82-M85 PolarHBondContact O-N 3.39Å; G82-V86 WeakPolarHBondContact O-CB 3.29Å; G82-V86 VanDerWaalsContact O-CG2 3.27Å; G82-V86 WeakPolarHBondContact O-CG2 3.47Å; G82-V86 PolarHBondContact O-N 3.36Å
83A92.9Very high94.6Very high15 Ų1550 Ų5012%0.12426%0.261CS..Hα-helixtrans-59.5-44.317500000111.9T7 L79 Y87T7-A83 WeakPolarHBondContact OG1-CB 3.24Å; L79-A83 WeakPolarHBondContact O-CB 3.29Å; L79-A83 PolarHBondContact O-N 3.44Å; A83-Y87 WeakPolarHBondContact O-CB 3.2Å; A83-Y87 PolarHBondContact O-N 3.3Å
84Y93Very high94.4Very high21 Ų2151.6 Ų51.68%0.08227%0.272CS..Hα-helixtrans-61.4-48.5175.3-179.3-85.1000112.1R80 T81 G82 V86 Y87 I88 D100 G102 F103R80-Y84 PolarHBondContact O-N 2.99Å; T81-Y84 PolarHBondContact O-N 3.01Å; G82-Y84 VanDerWaalsContact C-N 3.34Å; G82-Y84 PolarHBondContact O-N 3.46Å; Y84-V86 PolarHBondContact O-N 3.17Å; Y84-Y87 WeakPolarHBondContact O-CB 3.3Å; Y84-Y87 PolarHBondContact O-N 3.39Å; Y84-I88 HydrophobicContact CD1-CG1 4.21Å; Y84-I88 HydrophobicContact CE1-CG1 3.69Å; Y84-I88 HydrophobicContact CE2-CG1 4.39Å; Y84-I88 PolarHBondContact O-N 3.21Å; Y84-D100 WeakPolarHBondContact CE1-OD2 3.21Å; Y84-D100 VanDerWaalsContact CZ-OD2 3.29Å; Y84-D100 PolarHBondContact OH-OD2 3.13Å; Y84-G102 VanDerWaalsContact OH-C 3.26Å; Y84-F103 AromaticContact CD1-CD2 3.62Å; Y84-F103 HydrophobicContact CD1-CD2 3.62Å; Y84-F103 HydrophobicContact CD1-CE2 4.2Å; Y84-F103 HydrophobicContact CE1-CB 4.12Å; Y84-F103 AromaticContact CE1-CD2 3.78Å; Y84-F103 HydrophobicContact CE1-CD2 3.78Å; Y84-F103 HydrophobicContact CE1-CG 4.43Å; Y84-F103 PolarHBondContact OH-N 2.72Å
85M94.8Very high94.2Very high8 Ų854.9 Ų54.94%0.03929%0.286CS..Hα-helixtrans-63.7-41.6-179.2-70.5-54-60.900112.1T81 G82 Y87 L89 F103 W165 T168T81-M85 VanDerWaalsContact O-CG 3.29Å; T81-M85 WeakPolarHBondContact O-CG 3.42Å; T81-M85 PolarHBondContact O-N 2.87Å; G82-M85 PolarHBondContact O-N 3.39Å; M85-Y87 VanDerWaalsContact C-N 3.35Å; M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 PolarHBondContact O-N 3.39Å; M85-F103 HydrophobicContact CG-CE2 4.16Å; M85-F103 HydrophobicContact SD-CD2 3.7Å; M85-F103 HydrophobicContact SD-CE2 3.92Å; M85-W165 HydrophobicContact CE-CD2 3.89Å; M85-W165 HydrophobicContact CE-CG 3.72Å; M85-W165 HydrophobicContact CE-CZ2 4.43Å; M85-W165 VanDerWaalsContact CE-NE1 3.34Å; M85-T168 HydrophobicContact CG-CG2 4.14Å; M85-T168 WeakPolarHBondContact CG-OG1 3.48Å
86V93.9Very high93.9Very high69 Ų6954.8 Ų54.842%0.41828%0.284SS..Hα-helixtrans-63.2-43175.21700000110.6G82 Y84 L89 M90G82-V86 WeakPolarHBondContact O-CB 3.29Å; G82-V86 VanDerWaalsContact O-CG2 3.27Å; G82-V86 WeakPolarHBondContact O-CG2 3.47Å; G82-V86 PolarHBondContact O-N 3.36Å; Y84-V86 PolarHBondContact O-N 3.17Å; V86-L89 PolarHBondContact O-N 3.46Å; V86-M90 HydrophobicContact CG1-CE 3.75Å; V86-M90 HydrophobicContact CG1-CG 4.28Å; V86-M90 HydrophobicContact CG1-SD 3.74Å; V86-M90 WeakPolarHBondContact O-CB 3.27Å; V86-M90 VanDerWaalsContact O-CG 3.31Å; V86-M90 WeakPolarHBondContact O-CG 3.22Å; V86-M90 PolarHBondContact O-N 3.41Å
87Y91.8Very high93.8Very high109 Ų10950.4 Ų50.443%0.42727%0.265SS..Hα-helixtrans-59.6-51.3177.2172-100.3000112.1L8 A83 Y84 M85 L89 M90 T91L8-Y87 HydrophobicContact CD1-CD1 4.34Å; L8-Y87 HydrophobicContact CD1-CD2 3.92Å; L8-Y87 HydrophobicContact CD1-CG 3.8Å; A83-Y87 WeakPolarHBondContact O-CB 3.2Å; A83-Y87 PolarHBondContact O-N 3.3Å; Y84-Y87 WeakPolarHBondContact O-CB 3.3Å; Y84-Y87 PolarHBondContact O-N 3.39Å; M85-Y87 VanDerWaalsContact C-N 3.35Å; Y87-L89 VanDerWaalsContact C-N 3.35Å; Y87-L89 PolarHBondContact O-N 3.41Å; Y87-M90 PolarHBondContact O-N 3.04Å; Y87-T91 HydrophobicContact CD2-CG2 4.02Å; Y87-T91 HydrophobicContact CE2-CG2 3.76Å; Y87-T91 WeakPolarHBondContact O-CB 3.41Å; Y87-T91 WeakPolarHBondContact O-CG2 3.33Å; Y87-T91 PolarHBondContact O-N 3.43Å; Y87-T91 PolarHBondContact O-OG1 3.49Å
88I92.2Very high93.7Very high5 Ų550.4 Ų50.43%0.02627%0.265CS..Hα-helixtrans-64.6-40.6178.9-66.1-65.3000111.1Y84 M90 T91 K92 G93Y84-I88 HydrophobicContact CD1-CG1 4.21Å; Y84-I88 HydrophobicContact CE1-CG1 3.69Å; Y84-I88 HydrophobicContact CE2-CG1 4.39Å; Y84-I88 PolarHBondContact O-N 3.21Å; I88-M90 PolarHBondContact O-N 3.23Å; I88-T91 PolarHBondContact O-N 3.01Å; I88-K92 HydrophobicContact CD1-CD 4.18Å; I88-K92 HydrophobicContact CG2-CB 4.38Å; I88-K92 WeakPolarHBondContact O-CA 3.36Å; I88-K92 WeakPolarHBondContact O-CB 3.34Å; I88-K92 PolarHBondContact O-N 3.2Å; I88-G93 PolarHBondContact O-N 3.08Å
89L94.1Very high93.6Very high62 Ų6249.7 Ų49.733%0.32526%0.259SS..Hα-helixtrans-62.2-43.1178.2-179.162.1000112.2M85 V86 Y87 G93 L94 W165M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 PolarHBondContact O-N 3.39Å; V86-L89 PolarHBondContact O-N 3.46Å; Y87-L89 VanDerWaalsContact C-N 3.35Å; Y87-L89 PolarHBondContact O-N 3.41Å; L89-G93 VanDerWaalsContact O-CA 3.23Å; L89-G93 WeakPolarHBondContact O-CA 3.26Å; L89-G93 PolarHBondContact O-N 3.26Å; L89-G93 VanDerWaalsContact O-N 3.15Å; L89-L94 HydrophobicContact CD1-CB 4.12Å; L89-L94 HydrophobicContact CD1-CD1 3.97Å; L89-W165 HydrophobicContact CD1-CZ2 4.36Å; L89-W165 HydrophobicContact CD2-CH2 4.07Å; L89-W165 HydrophobicContact CD2-CZ2 4.14Å
90M93.3Very high93.5Very high158 Ų15845.3 Ų45.378%0.77824%0.236SC*.Hα-helixtrans-74.9-30.4-179.5-71.7-177.5171.900113.3V86 Y87 I88V86-M90 HydrophobicContact CG1-CE 3.75Å; V86-M90 HydrophobicContact CG1-CG 4.28Å; V86-M90 HydrophobicContact CG1-SD 3.74Å; V86-M90 WeakPolarHBondContact O-CB 3.27Å; V86-M90 VanDerWaalsContact O-CG 3.31Å; V86-M90 WeakPolarHBondContact O-CG 3.22Å; V86-M90 PolarHBondContact O-N 3.41Å; Y87-M90 PolarHBondContact O-N 3.04Å; I88-M90 PolarHBondContact O-N 3.23Å
91T91.8Very high93.4Very high80 Ų8048.1 Ų48.149%0.49125%0.25SC..Hα-helixtrans-95.5-37.5-17555.30000113.6Y87 I88Y87-T91 HydrophobicContact CD2-CG2 4.02Å; Y87-T91 HydrophobicContact CE2-CG2 3.76Å; Y87-T91 WeakPolarHBondContact O-CB 3.41Å; Y87-T91 WeakPolarHBondContact O-CG2 3.33Å; Y87-T91 PolarHBondContact O-N 3.43Å; Y87-T91 PolarHBondContact O-OG1 3.49Å; I88-T91 PolarHBondContact O-N 3.01Å
92K90.6Very high93.2Very high122 Ų12249 Ų4953%0.5326%0.259SS..Hα-helixtrans-115-7.3-174.8-52.6-167.7-175.8179.70113.8I88 Q96I88-K92 HydrophobicContact CD1-CD 4.18Å; I88-K92 HydrophobicContact CG2-CB 4.38Å; I88-K92 WeakPolarHBondContact O-CA 3.36Å; I88-K92 WeakPolarHBondContact O-CB 3.34Å; I88-K92 PolarHBondContact O-N 3.2Å; K92-Q96 HydrophobicContact CB-CB 3.63Å; K92-Q96 HydrophobicContact CB-CG 3.73Å; K92-Q96 HydrophobicContact CD-CG 3.67Å; K92-Q96 HydrophobicContact CG-CG 4.36Å
93G93.9Very high93.2Very high29 Ų2948.2 Ų48.230%0.29925%0.251SS..Hα-helixtrans83178.2178.100000114.5I88 L89 S97I88-G93 PolarHBondContact O-N 3.08Å; L89-G93 VanDerWaalsContact O-CA 3.23Å; L89-G93 WeakPolarHBondContact O-CA 3.26Å; L89-G93 PolarHBondContact O-N 3.26Å; L89-G93 VanDerWaalsContact O-N 3.15Å; G93-S97 WeakPolarHBondContact O-CB 3.35Å; G93-S97 PolarHBondContact O-N 2.85Å; G93-S97 VanDerWaalsContact O-N 3.08Å
94L94.3Very high93.2Very high84 Ų8447.7 Ų47.744%0.4425%0.246SC..Hα-helixtrans-63.8-49.3-171.2-177.365.1000112.7L89 Q96 S97 V98 W165 L215 W219L89-L94 HydrophobicContact CD1-CB 4.12Å; L89-L94 HydrophobicContact CD1-CD1 3.97Å; L94-Q96 PolarHBondContact O-N 3.23Å; L94-S97 PolarHBondContact O-N 3.21Å; L94-S97 VanDerWaalsContact O-N 3.12Å; L94-S97 PolarHBondContact O-OG 3.43Å; L94-V98 HydrophobicContact CD1-CG2 4.24Å; L94-V98 WeakPolarHBondContact O-CG2 3.26Å; L94-V98 PolarHBondContact O-N 2.95Å; L94-W165 HydrophobicContact CD1-CZ2 4.13Å; L94-L215 HydrophobicContact CD2-CD1 4.29Å; L94-W219 HydrophobicContact CD2-CH2 4.4Å; L94-W219 HydrophobicContact CG-CH2 4.18Å
95K93.1Very high93.3Very high70 Ų7051 Ų5130%0.30426%0.264SS..Hα-helixtrans-55.5-51.5-178-179.6175.4177.4-175.70111.7S97 V98 C99 W219 D223K95-S97 VanDerWaalsContact C-N 3.33Å; K95-S97 PolarHBondContact O-N 2.67Å; K95-V98 PolarHBondContact O-N 3.04Å; K95-C99 PolarHBondContact O-N 3.42Å; K95-W219 VanDerWaalsContact CA-CH2 3.46Å; K95-W219 HydrophobicContact CB-CD2 4.34Å; K95-W219 HydrophobicContact CB-CE3 4.39Å; K95-W219 HydrophobicContact CB-CH2 3.91Å; K95-W219 HydrophobicContact CB-CZ2 3.81Å; K95-W219 HydrophobicContact CB-CZ3 4.21Å; K95-W219 HydrophobicContact CD-CD2 4.28Å; K95-W219 HydrophobicContact CD-CG 4.33Å; K95-W219 HydrophobicContact CG-CD2 3.75Å; K95-W219 HydrophobicContact CG-CE3 3.99Å; K95-W219 HydrophobicContact CG-CG 4.19Å; K95-W219 HydrophobicContact CG-CH2 4.37Å; K95-W219 HydrophobicContact CG-CZ2 4.12Å; K95-W219 HydrophobicContact CG-CZ3 4.31Å; K95-D223 WeakPolarHBondContact CE-OD2 3.45Å; K95-D223 IonicContact NZ-OD1 3.08Å; K95-D223 PolarHBondContact NZ-OD1 3.06Å; K95-D223 VanDerWaalsContact NZ-OD1 3.08Å; K95-D223 IonicContact NZ-OD2 2.61Å; K95-D223 PolarHBondContact NZ-OD2 2.88Å
96Q92.2Very high92.9Very high65 Ų6550.9 Ų50.930%0.30427%0.265SS..Hα-helixtrans-63.7-39.8178.6-163.865.623.400111.6K92 L94 V98 C99 D100K92-Q96 HydrophobicContact CB-CB 3.63Å; K92-Q96 HydrophobicContact CB-CG 3.73Å; K92-Q96 HydrophobicContact CD-CG 3.67Å; K92-Q96 HydrophobicContact CG-CG 4.36Å; L94-Q96 PolarHBondContact O-N 3.23Å; Q96-V98 VanDerWaalsContact C-N 3.25Å; Q96-V98 PolarHBondContact O-N 3.35Å; Q96-C99 CarbonylContact O-C 3.6Å; Q96-C99 PolarHBondContact O-N 2.86Å; Q96-D100 WeakPolarHBondContact O-CA 3.23Å; Q96-D100 VanDerWaalsContact O-CB 3.24Å; Q96-D100 WeakPolarHBondContact O-CB 3.36Å; Q96-D100 PolarHBondContact O-N 3.24Å
97S94.7Very high92.5Very high3 Ų350.7 Ų50.72%0.02127%0.265CS..Hα-helixtrans-62.1-30.8177.6790000114.1G93 L94 K95 W165G93-S97 WeakPolarHBondContact O-CB 3.35Å; G93-S97 PolarHBondContact O-N 2.85Å; G93-S97 VanDerWaalsContact O-N 3.08Å; L94-S97 PolarHBondContact O-N 3.21Å; L94-S97 VanDerWaalsContact O-N 3.12Å; L94-S97 PolarHBondContact O-OG 3.43Å; K95-S97 VanDerWaalsContact C-N 3.33Å; K95-S97 PolarHBondContact O-N 2.67Å; S97-W165 PolarHBondContact OG-NE1 3.36Å; S97-W165 VanDerWaalsContact OG-NE1 3.12Å
98V95.4Very high92.4Very high1 Ų145.5 Ų45.51%0.00625%0.245CC..Hα-helixtrans-80.9-41.8178.5171.50000110.7L94 K95 Q96 D100 G162 I212 V216 W219L94-V98 HydrophobicContact CD1-CG2 4.24Å; L94-V98 WeakPolarHBondContact O-CG2 3.26Å; L94-V98 PolarHBondContact O-N 2.95Å; K95-V98 PolarHBondContact O-N 3.04Å; Q96-V98 VanDerWaalsContact C-N 3.25Å; Q96-V98 PolarHBondContact O-N 3.35Å; V98-D100 VanDerWaalsContact C-N 3.25Å; V98-D100 PolarHBondContact O-N 2.78Å; V98-G162 WeakPolarHBondContact O-CA 3.38Å; V98-G162 PolarHBondContact O-N 3.45Å; V98-I212 HydrophobicContact CG1-CG2 4.27Å; V98-I212 HydrophobicContact CG2-CD1 3.79Å; V98-V216 HydrophobicContact CG1-CG2 3.46Å; V98-V216 VanDerWaalsContact CG1-CG2 3.46Å; V98-W219 HydrophobicContact CB-CE3 4.26Å; V98-W219 HydrophobicContact CB-CZ3 3.61Å; V98-W219 HydrophobicContact CG1-CE3 4.15Å; V98-W219 HydrophobicContact CG1-CZ3 3.81Å; V98-W219 HydrophobicContact CG2-CH2 4.48Å; V98-W219 HydrophobicContact CG2-CZ3 3.85Å
99C94.2Very high92.4Very high7 Ų745.3 Ų45.35%0.04724%0.244CC..Hα-helixtrans-85.26.5-179.4-58.80000113.6K95 Q96 Q101 C227K95-C99 PolarHBondContact O-N 3.42Å; Q96-C99 CarbonylContact O-C 3.6Å; Q96-C99 PolarHBondContact O-N 2.86Å; C99-Q101 PolarHBondContact O-N 2.94Å; C99-Q101 VanDerWaalsContact O-N 3.07Å; C99-C227 HydrophobicContact CB-CB 3.78Å; C99-C227 WeakPolarHBondContact CB-SG 3.34Å; C99-C227 WeakPolarHBondContact SG-CB 3.36Å; C99-C227 CovalentContact SG-SG 2.05Å; C99-C227 PolarHBondContact SG-SG 2.99Å
100D92.3Very high92.4Very high17 Ų1743.3 Ų43.39%0.09123%0.232CC..  trans-73.599.6-175-173.244.5000112.7Y84 Q96 V98 G102 F103Y84-D100 WeakPolarHBondContact CE1-OD2 3.21Å; Y84-D100 VanDerWaalsContact CZ-OD2 3.29Å; Y84-D100 PolarHBondContact OH-OD2 3.13Å; Q96-D100 WeakPolarHBondContact O-CA 3.23Å; Q96-D100 VanDerWaalsContact O-CB 3.24Å; Q96-D100 WeakPolarHBondContact O-CB 3.36Å; Q96-D100 PolarHBondContact O-N 3.24Å; V98-D100 VanDerWaalsContact C-N 3.25Å; V98-D100 PolarHBondContact O-N 2.78Å; D100-G102 PolarHBondContact O-N 3.35Å; D100-G102 WeakPolarHBondContact OD1-CA 3.5Å; D100-G102 PolarHBondContact OD1-N 3.42Å; D100-F103 PolarHBondContact OD2-N 3.18Å; D100-F103 VanDerWaalsContact OD2-N 3.11Å
101Q92.2Very high92.5Very high69 Ų6938.2 Ų38.232%0.32221%0.206SC..THydrogen-bonded Turntrans-72.8-16.5165.4-59.3-169.1-75.200112.2C99 F103 Y104 M159C99-Q101 PolarHBondContact O-N 2.94Å; C99-Q101 VanDerWaalsContact O-N 3.07Å; Q101-F103 PolarHBondContact O-N 3.17Å; Q101-F103 VanDerWaalsContact O-N 3.08Å; Q101-Y104 PolarHBondContact O-N 3.41Å; Q101-M159 WeakPolarHBondContact CG-O 3.46Å; Q101-M159 PolarHBondContact NE2-O 2.95Å
102G91.8Very high92.8Very high19 Ų1935.2 Ų35.220%0.19619%0.186CC..Hα-helixtrans-55.5-25.1173.600000112.7Y84 D100 Y104 I105 G106Y84-G102 VanDerWaalsContact OH-C 3.26Å; D100-G102 PolarHBondContact O-N 3.35Å; D100-G102 WeakPolarHBondContact OD1-CA 3.5Å; D100-G102 PolarHBondContact OD1-N 3.42Å; G102-Y104 PolarHBondContact O-N 2.83Å; G102-Y104 VanDerWaalsContact O-N 3.17Å; G102-I105 CarbonylContact O-C 3.59Å; G102-I105 PolarHBondContact O-N 3.27Å; G102-G106 VanDerWaalsContact O-CA 3.26Å; G102-G106 WeakPolarHBondContact O-CA 3.27Å; G102-G106 PolarHBondContact O-N 3.04Å
103F94.3Very high93.1Very high0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-54.4-34.2173.8-171.9-92.3000113.6T81 Y84 M85 D100 Q101 S109 A113 M167T81-F103 HydrophobicContact CG2-CE2 4.19Å; T81-F103 HydrophobicContact CG2-CZ 3.7Å; Y84-F103 AromaticContact CD1-CD2 3.62Å; Y84-F103 HydrophobicContact CD1-CD2 3.62Å; Y84-F103 HydrophobicContact CD1-CE2 4.2Å; Y84-F103 HydrophobicContact CE1-CB 4.12Å; Y84-F103 AromaticContact CE1-CD2 3.78Å; Y84-F103 HydrophobicContact CE1-CD2 3.78Å; Y84-F103 HydrophobicContact CE1-CG 4.43Å; Y84-F103 PolarHBondContact OH-N 2.72Å; M85-F103 HydrophobicContact CG-CE2 4.16Å; M85-F103 HydrophobicContact SD-CD2 3.7Å; M85-F103 HydrophobicContact SD-CE2 3.92Å; D100-F103 PolarHBondContact OD2-N 3.18Å; D100-F103 VanDerWaalsContact OD2-N 3.11Å; Q101-F103 PolarHBondContact O-N 3.17Å; Q101-F103 VanDerWaalsContact O-N 3.08Å; F103-S109 CarbonylContact O-C 3.5Å; F103-S109 WeakPolarHBondContact O-CB 3.38Å; F103-S109 PolarHBondContact O-OG 3.41Å; F103-A113 HydrophobicContact CD1-CB 4.03Å; F103-A113 HydrophobicContact CE1-CB 3.7Å; F103-M167 HydrophobicContact CD1-SD 4.43Å; F103-M167 HydrophobicContact CE1-CB 4.31Å; F103-M167 HydrophobicContact CE1-SD 3.69Å; F103-M167 HydrophobicContact CZ-CB 4.38Å
104Y94Very high93.3Very high3 Ų329.9 Ų29.91%0.01215%0.153CC..Hα-helixtrans-80.5-22.5-176.5-66.5-90.9000113.8Q101 G102 K110 A113 Y156 M159 V160 G163 M167Q101-Y104 PolarHBondContact O-N 3.41Å; G102-Y104 PolarHBondContact O-N 2.83Å; G102-Y104 VanDerWaalsContact O-N 3.17Å; Y104-K110 WeakPolarHBondContact O-CA 3.32Å; Y104-K110 VanDerWaalsContact O-CB 3.25Å; Y104-K110 WeakPolarHBondContact O-CB 3.21Å; Y104-A113 HydrophobicContact CD1-CB 4.42Å; Y104-Y156 AromaticContact CD1-CD2 3.76Å; Y104-Y156 HydrophobicContact CD1-CD2 3.76Å; Y104-Y156 AromaticContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CG 4.49Å; Y104-Y156 AromaticContact CE1-CD2 3.56Å; Y104-Y156 HydrophobicContact CE1-CD2 3.56Å; Y104-Y156 AromaticContact CE1-CE2 3.9Å; Y104-Y156 HydrophobicContact CE1-CE2 3.9Å; Y104-Y156 HydrophobicContact CE1-CG 4.22Å; Y104-M159 HydrophobicContact CD1-CB 4.25Å; Y104-M159 HydrophobicContact CD1-CG 3.98Å; Y104-M159 HydrophobicContact CD2-CB 3.74Å; Y104-M159 HydrophobicContact CD2-CG 4.21Å; Y104-M159 HydrophobicContact CE2-CB 4.06Å; Y104-M159 HydrophobicContact CG-CB 3.85Å; Y104-M159 HydrophobicContact CG-CG 3.78Å; Y104-M159 HydrophobicContact CG-SD 4.38Å; Y104-V160 PolarHBondContact OH-O 2.98Å; Y104-G163 WeakPolarHBondContact OH-CA 3.45Å; Y104-M167 HydrophobicContact CE1-CE 3.74Å
105I93.4Very high93.4Very high90 Ų9026.6 Ų26.646%0.46214%0.138SC..Hα-helixtrans-120.3-2.1-175.662.6172.7000112.7E19 I23 G102 M159E19-I105 HydrophobicContact CG-CB 4.26Å; E19-I105 HydrophobicContact CG-CG2 4.03Å; I23-I105 HydrophobicContact CD1-CG2 4.25Å; G102-I105 CarbonylContact O-C 3.59Å; G102-I105 PolarHBondContact O-N 3.27Å; I105-M159 HydrophobicContact CG2-SD 4.48Å
106G87.9Confident93.7Very high6 Ų623.8 Ų23.86%0.06213%0.126CC..SBendtrans-67.2147-176.500000111.4G102 V108 S109 K110G102-G106 VanDerWaalsContact O-CA 3.26Å; G102-G106 WeakPolarHBondContact O-CA 3.27Å; G102-G106 PolarHBondContact O-N 3.04Å; G106-V108 VanDerWaalsContact C-N 3.3Å; G106-V108 PolarHBondContact O-N 3.32Å; G106-V108 VanDerWaalsContact O-N 3.15Å; G106-S109 PolarHBondContact O-N 3.45Å; G106-K110 VanDerWaalsContact O-CB 3.23Å; G106-K110 WeakPolarHBondContact O-CB 3.33Å; G106-K110 WeakPolarHBondContact O-CD 3.31Å; G106-K110 WeakPolarHBondContact O-CG 3.5Å; G106-K110 PolarHBondContact O-N 3.25Å
107P85.4Confident93.9Very high65 Ų6520.7 Ų20.742%0.42211%0.112SC..THydrogen-bonded Turntrans-50.3-47.8-169.713.7-28.5000113.3E10E10-P107 HydrophobicContact CG-CB 3.61Å; E10-P107 VanDerWaalsContact OE1-CB 3.32Å; E10-P107 WeakPolarHBondContact OE1-CB 3.21Å; E10-P107 WeakPolarHBondContact OE2-CB 2.82Å
108V88.3Confident94Very high1 Ų123 Ų231%0.00612%0.124CC..THydrogen-bonded Turntrans-86.8-45.8178.2176.40000111.7L8 E10 R80 G106 K110 W112L8-V108 VanDerWaalsContact O-CG2 3.32Å; L8-V108 WeakPolarHBondContact O-CG2 3.35Å; E10-V108 HydrophobicContact CG-CG2 3.97Å; R80-V108 HydrophobicContact CB-CG1 3.86Å; R80-V108 HydrophobicContact CG-CG1 4.49Å; R80-V108 VanDerWaalsContact NE-CG1 3.31Å; G106-V108 VanDerWaalsContact C-N 3.3Å; G106-V108 PolarHBondContact O-N 3.32Å; G106-V108 VanDerWaalsContact O-N 3.15Å; V108-K110 PolarHBondContact O-N 3.29Å; V108-W112 VanDerWaalsContact O-CD1 3.26Å
109S93.3Very high94.1Very high0 Ų023.5 Ų23.50%013%0.127CC..Hα-helixtrans-74.9-25.8-166.454.30000114.3F103 G106 F111 W112 A113F103-S109 CarbonylContact O-C 3.5Å; F103-S109 WeakPolarHBondContact O-CB 3.38Å; F103-S109 PolarHBondContact O-OG 3.41Å; G106-S109 PolarHBondContact O-N 3.45Å; S109-F111 PolarHBondContact O-N 3.08Å; S109-W112 PolarHBondContact O-N 3.44Å; S109-A113 WeakPolarHBondContact O-CB 3.3Å; S109-A113 PolarHBondContact O-N 3.17Å
110K94.3Very high94.2Very high20 Ų2023.2 Ų23.29%0.08713%0.125CC..Hα-helixtrans-55.9-48.9-174.662.8-172.5-1701630114E14 F17 E19 Y104 G106 V108 A113 Y114E14-K110 WeakPolarHBondContact O-CE 3.5Å; F17-K110 HydrophobicContact CD1-CB 4.38Å; F17-K110 HydrophobicContact CD1-CD 4.36Å; F17-K110 HydrophobicContact CD1-CG 3.94Å; F17-K110 WeakPolarHBondContact O-CE 3.17Å; F17-K110 PolarHBondContact O-NZ 3.35Å; E19-K110 HydrophobicContact CB-CB 4.19Å; E19-K110 HydrophobicContact CB-CD 4.26Å; E19-K110 HydrophobicContact CG-CD 4.47Å; E19-K110 WeakPolarHBondContact OE2-CD 3.47Å; E19-K110 IonicContact OE2-NZ 2.76Å; E19-K110 PolarHBondContact OE2-NZ 2.86Å; Y104-K110 WeakPolarHBondContact O-CA 3.32Å; Y104-K110 VanDerWaalsContact O-CB 3.25Å; Y104-K110 WeakPolarHBondContact O-CB 3.21Å; G106-K110 VanDerWaalsContact O-CB 3.23Å; G106-K110 WeakPolarHBondContact O-CB 3.33Å; G106-K110 WeakPolarHBondContact O-CD 3.31Å; G106-K110 WeakPolarHBondContact O-CG 3.5Å; G106-K110 PolarHBondContact O-N 3.25Å; V108-K110 PolarHBondContact O-N 3.29Å; K110-A113 PolarHBondContact O-N 3.49Å; K110-Y114 PolarHBondContact O-N 3.49Å
111F96Very high94.4Very high52 Ų5223.6 Ų23.623%0.22813%0.131CC..Hα-helixtrans-63.2-47.2178.1170.4-92.7000110.7F13 E14 F17 S109 A113 Y114 A115F13-F111 HydrophobicContact CD2-CD1 4.24Å; F13-F111 HydrophobicContact CD2-CD2 4.21Å; F13-F111 HydrophobicContact CD2-CE1 4.2Å; F13-F111 HydrophobicContact CD2-CE2 4.17Å; F13-F111 HydrophobicContact CD2-CG 4.24Å; F13-F111 HydrophobicContact CD2-CZ 4.16Å; F13-F111 AromaticContact CE2-CD1 3.6Å; F13-F111 HydrophobicContact CE2-CD1 3.6Å; F13-F111 HydrophobicContact CE2-CD2 4.38Å; F13-F111 AromaticContact CE2-CE1 3.56Å; F13-F111 HydrophobicContact CE2-CE1 3.56Å; F13-F111 HydrophobicContact CE2-CE2 4.35Å; F13-F111 HydrophobicContact CE2-CG 4.02Å; F13-F111 AromaticContact CE2-CZ 3.95Å; F13-F111 HydrophobicContact CE2-CZ 3.95Å; E14-F111 HydrophobicContact CG-CB 4.38Å; F17-F111 HydrophobicContact CB-CB 4.3Å; F17-F111 HydrophobicContact CB-CD2 4.38Å; F17-F111 HydrophobicContact CD1-CB 4.17Å; F17-F111 AromaticContact CD2-CD2 3.72Å; F17-F111 HydrophobicContact CD2-CD2 3.72Å; F17-F111 HydrophobicContact CE2-CD2 4.17Å; F17-F111 HydrophobicContact CG-CB 4.07Å; F17-F111 HydrophobicContact CG-CD2 4.05Å; S109-F111 PolarHBondContact O-N 3.08Å; F111-A113 VanDerWaalsContact C-N 3.32Å; F111-A113 PolarHBondContact O-N 3.13Å; F111-Y114 PolarHBondContact O-N 3.25Å; F111-A115 HydrophobicContact CE1-CB 4.23Å; F111-A115 HydrophobicContact CZ-CB 4.41Å; F111-A115 WeakPolarHBondContact O-CB 3.45Å; F111-A115 PolarHBondContact O-N 3.19Å
112W97.1Very high94.6Very high16 Ų1623.4 Ų23.46%0.06114%0.135CC..Hα-helixtrans-68.5-31-176.8-67.9103000113F13 E14 F73 F76 R80 T81 V108 S109 F116 Y171F13-W112 HydrophobicContact CZ-CZ2 4.32Å; E14-W112 PolarHBondContact OE1-NE1 3.08Å; F73-W112 HydrophobicContact CD2-CZ3 4.14Å; F73-W112 HydrophobicContact CE2-CE3 4.44Å; F73-W112 HydrophobicContact CE2-CZ3 4.07Å; F76-W112 HydrophobicContact CB-CH2 3.36Å; F76-W112 HydrophobicContact CB-CZ2 3.93Å; F76-W112 HydrophobicContact CB-CZ3 4.04Å; F76-W112 HydrophobicContact CG-CH2 4.45Å; R80-W112 HydrophobicContact CB-CD2 4.38Å; R80-W112 HydrophobicContact CB-CG 4.18Å; R80-W112 HydrophobicContact CG-CZ2 4.03Å; T81-W112 HydrophobicContact CG2-CB 3.55Å; T81-W112 HydrophobicContact CG2-CG 4.28Å; V108-W112 VanDerWaalsContact O-CD1 3.26Å; S109-W112 PolarHBondContact O-N 3.44Å; W112-F116 VanDerWaalsContact O-CB 3.27Å; W112-F116 WeakPolarHBondContact O-CB 3.48Å; W112-F116 PolarHBondContact O-N 3.27Å; W112-Y171 PolarHBondContact O-OH 2.88Å
113A97.4Very high94.9Very high0 Ų022.5 Ų22.50%013%0.126CC..Hα-helixtrans-65.3-45.5172.800000111F103 Y104 S109 K110 F111 F116 V117 Y156 M167F103-A113 HydrophobicContact CD1-CB 4.03Å; F103-A113 HydrophobicContact CE1-CB 3.7Å; Y104-A113 HydrophobicContact CD1-CB 4.42Å; S109-A113 WeakPolarHBondContact O-CB 3.3Å; S109-A113 PolarHBondContact O-N 3.17Å; K110-A113 PolarHBondContact O-N 3.49Å; F111-A113 VanDerWaalsContact C-N 3.32Å; F111-A113 PolarHBondContact O-N 3.13Å; A113-F116 WeakPolarHBondContact O-CB 3.34Å; A113-F116 PolarHBondContact O-N 2.94Å; A113-V117 WeakPolarHBondContact O-CG2 3.22Å; A113-V117 PolarHBondContact O-N 2.98Å; A113-Y156 HydrophobicContact CB-CE2 3.92Å; A113-M167 HydrophobicContact CB-SD 3.95Å
114Y97.4Very high94.9Very high39 Ų3923.5 Ų23.515%0.15313%0.131CC..Hα-helixtrans-66.2-48176.5-176.8-118.9000112F17 A22 W25 M26 K110 F111 F116 V117 L118 Y156F17-Y114 AromaticContact CE2-CD1 3.65Å; F17-Y114 HydrophobicContact CE2-CD1 3.65Å; F17-Y114 HydrophobicContact CE2-CE1 4.25Å; F17-Y114 HydrophobicContact CE2-CG 4.33Å; F17-Y114 AromaticContact CZ-CD1 3.45Å; F17-Y114 HydrophobicContact CZ-CD1 3.45Å; F17-Y114 VanDerWaalsContact CZ-CD1 3.45Å; F17-Y114 HydrophobicContact CZ-CE1 4.27Å; F17-Y114 AromaticContact CZ-CG 3.66Å; F17-Y114 HydrophobicContact CZ-CG 3.66Å; A22-Y114 HydrophobicContact CB-CD1 4.21Å; A22-Y114 HydrophobicContact CB-CD2 3.71Å; A22-Y114 HydrophobicContact CB-CE1 4.32Å; A22-Y114 HydrophobicContact CB-CE2 3.84Å; A22-Y114 HydrophobicContact CB-CG 3.89Å; W25-Y114 HydrophobicContact CE3-CE2 4.32Å; M26-Y114 HydrophobicContact CG-CD2 4.15Å; M26-Y114 HydrophobicContact CG-CE2 3.79Å; M26-Y114 HydrophobicContact SD-CE2 4.03Å; K110-Y114 PolarHBondContact O-N 3.49Å; F111-Y114 PolarHBondContact O-N 3.25Å; Y114-F116 PolarHBondContact O-N 2.77Å; Y114-V117 PolarHBondContact O-N 2.89Å; Y114-V117 VanDerWaalsContact O-N 3.13Å; Y114-L118 HydrophobicContact CD1-CD1 3.95Å; Y114-L118 HydrophobicContact CD1-CG 4.47Å; Y114-L118 HydrophobicContact CE1-CD1 3.36Å; Y114-L118 HydrophobicContact CE1-CG 4.13Å; Y114-L118 HydrophobicContact CE2-CD1 4.22Å; Y114-L118 HydrophobicContact CE2-CD2 4.34Å; Y114-L118 HydrophobicContact CE2-CG 4.17Å; Y114-L118 PolarHBondContact O-N 3.11Å; Y114-L118 VanDerWaalsContact O-N 3.08Å; Y114-Y156 HydrophobicContact CD2-CE1 4.17Å
115A97.4Very high95Very high15 Ų1523.8 Ų23.812%0.12414%0.135CC..Hα-helixtrans-58.8-35.6178.700000112.1F73 F111 L118 S119F73-A115 HydrophobicContact CE2-CB 3.92Å; F73-A115 HydrophobicContact CZ-CB 4.01Å; F111-A115 HydrophobicContact CE1-CB 4.23Å; F111-A115 HydrophobicContact CZ-CB 4.41Å; F111-A115 WeakPolarHBondContact O-CB 3.45Å; F111-A115 PolarHBondContact O-N 3.19Å; A115-L118 PolarHBondContact O-N 3.36Å; A115-S119 WeakPolarHBondContact O-CB 3.46Å; A115-S119 PolarHBondContact O-N 3.15Å
116F98.1Very high95.1Very high12 Ų1220.2 Ų20.25%0.05312%0.117CC..Hα-helixtrans-59.9-46.5176.2178.3-93000112.3W112 A113 Y114 S119 M167 N170 Y171W112-F116 VanDerWaalsContact O-CB 3.27Å; W112-F116 WeakPolarHBondContact O-CB 3.48Å; W112-F116 PolarHBondContact O-N 3.27Å; A113-F116 WeakPolarHBondContact O-CB 3.34Å; A113-F116 PolarHBondContact O-N 2.94Å; Y114-F116 PolarHBondContact O-N 2.77Å; F116-S119 PolarHBondContact O-N 3.43Å; F116-S119 PolarHBondContact O-OG 2.92Å; F116-M167 HydrophobicContact CB-SD 4.33Å; F116-M167 HydrophobicContact CD1-CB 4.24Å; F116-M167 HydrophobicContact CD1-CE 4.46Å; F116-M167 HydrophobicContact CD1-CG 3.56Å; F116-M167 HydrophobicContact CD1-SD 4.05Å; F116-M167 HydrophobicContact CD2-CB 4.18Å; F116-M167 HydrophobicContact CD2-CG 4.38Å; F116-M167 HydrophobicContact CE1-CB 4.39Å; F116-M167 HydrophobicContact CE1-CG 3.75Å; F116-M167 HydrophobicContact CE2-CB 4.31Å; F116-M167 HydrophobicContact CG-CB 4.13Å; F116-M167 HydrophobicContact CG-CG 3.9Å; F116-M167 HydrophobicContact CG-SD 4.29Å; F116-M167 HydrophobicContact CZ-CB 4.41Å; F116-M167 HydrophobicContact CZ-CG 4.23Å; F116-N170 HydrophobicContact CE2-CB 3.67Å; F116-N170 WeakPolarHBondContact CE2-OD1 3.41Å; F116-N170 HydrophobicContact CZ-CB 3.78Å; F116-N170 WeakPolarHBondContact CZ-OD1 3.32Å; F116-Y171 VanDerWaalsContact CA-OH 3.26Å; F116-Y171 WeakPolarHBondContact CA-OH 3.26Å; F116-Y171 HydrophobicContact CB-CE2 3.78Å; F116-Y171 WeakPolarHBondContact CB-OH 3.15Å; F116-Y171 HydrophobicContact CD2-CD1 4.28Å; F116-Y171 AromaticContact CD2-CD2 3.9Å; F116-Y171 HydrophobicContact CD2-CD2 3.9Å; F116-Y171 HydrophobicContact CD2-CE1 4.04Å; F116-Y171 AromaticContact CD2-CE2 3.6Å; F116-Y171 HydrophobicContact CD2-CE2 3.6Å; F116-Y171 HydrophobicContact CD2-CG 4.23Å; F116-Y171 AromaticContact CD2-CZ 3.7Å; F116-Y171 HydrophobicContact CG-CE2 4.12Å; F116-Y171 PolarHBondContact N-OH 3.41Å; F116-Y171 VanDerWaalsContact N-OH 3.13Å
117V96.9Very high95.5Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-71.2-40.2-176177.20000110M26 A113 Y114 S119 K120 W153 Y156 M167M26-V117 HydrophobicContact CE-CG1 3.54Å; M26-V117 HydrophobicContact SD-CG1 4.25Å; A113-V117 WeakPolarHBondContact O-CG2 3.22Å; A113-V117 PolarHBondContact O-N 2.98Å; Y114-V117 PolarHBondContact O-N 2.89Å; Y114-V117 VanDerWaalsContact O-N 3.13Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 3.3Å; V117-K120 PolarHBondContact O-N 3.41Å; V117-W153 HydrophobicContact CG1-CB 4.48Å; V117-W153 HydrophobicContact CG1-CG 3.95Å; V117-W153 PolarHBondContact O-NE1 2.87Å; V117-Y156 HydrophobicContact CB-CD2 4.38Å; V117-Y156 HydrophobicContact CG2-CD2 3.49Å; V117-Y156 VanDerWaalsContact CG2-CD2 3.49Å; V117-Y156 HydrophobicContact CG2-CE2 4.36Å; V117-Y156 HydrophobicContact CG2-CG 3.85Å; V117-M167 HydrophobicContact CG2-CE 4.19Å
118L96.9Very high95.9Very high52 Ų5220.2 Ų20.227%0.27211%0.111SC..Hα-helixtrans-63.9-37.7173-67.9-170.3000112.3W25 M26 Y114 A115 K120 A121 P122 W153W25-L118 HydrophobicContact CH2-CD2 4.15Å; W25-L118 HydrophobicContact CZ3-CD2 3.81Å; M26-L118 HydrophobicContact SD-CD2 4.49Å; Y114-L118 HydrophobicContact CD1-CD1 3.95Å; Y114-L118 HydrophobicContact CD1-CG 4.47Å; Y114-L118 HydrophobicContact CE1-CD1 3.36Å; Y114-L118 HydrophobicContact CE1-CG 4.13Å; Y114-L118 HydrophobicContact CE2-CD1 4.22Å; Y114-L118 HydrophobicContact CE2-CD2 4.34Å; Y114-L118 HydrophobicContact CE2-CG 4.17Å; Y114-L118 PolarHBondContact O-N 3.11Å; Y114-L118 VanDerWaalsContact O-N 3.08Å; A115-L118 PolarHBondContact O-N 3.36Å; L118-K120 PolarHBondContact O-N 2.91Å; L118-K120 VanDerWaalsContact O-N 3.08Å; L118-A121 PolarHBondContact O-N 3Å; L118-A121 VanDerWaalsContact O-N 3.15Å; L118-P122 WeakPolarHBondContact O-CD 3.49Å; L118-W153 HydrophobicContact CD2-CZ2 4.07Å
119S97.3Very high96.2Very high10 Ų1021.6 Ų21.67%0.0712%0.117CC..Hα-helixtrans-60.3-23.2-17785.10000113.6F73 A115 F116 V117 A121 P122 E123F73-S119 VanDerWaalsContact CE1-CB 3.44Å; A115-S119 WeakPolarHBondContact O-CB 3.46Å; A115-S119 PolarHBondContact O-N 3.15Å; F116-S119 PolarHBondContact O-N 3.43Å; F116-S119 PolarHBondContact O-OG 2.92Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 3.3Å; S119-A121 PolarHBondContact O-N 2.99Å; S119-P122 VanDerWaalsContact O-CD 3.27Å; S119-P122 WeakPolarHBondContact O-CD 3.46Å; S119-E123 WeakPolarHBondContact O-CB 3.21Å; S119-E123 WeakPolarHBondContact O-CG 3.43Å; S119-E123 PolarHBondContact O-N 3.07Å; S119-E123 PolarHBondContact OG-OE1 2.93Å
120K97.4Very high96.3Very high2 Ų223.3 Ų23.31%0.00913%0.126CC..Hα-helixtrans-63.3-28.9178.8-57.6-43.7175.9-164.60113.3V117 L118 E123 V148 L149 S152 N170V117-K120 PolarHBondContact O-N 3.41Å; L118-K120 PolarHBondContact O-N 2.91Å; L118-K120 VanDerWaalsContact O-N 3.08Å; K120-E123 WeakPolarHBondContact CD-OE2 3.41Å; K120-E123 IonicContact NZ-OE1 3.54Å; K120-E123 PolarHBondContact NZ-OE1 3.23Å; K120-E123 IonicContact NZ-OE2 3.94Å; K120-E123 PolarHBondContact NZ-OE2 3.24Å; K120-V148 HydrophobicContact CD-CG1 4.31Å; K120-V148 HydrophobicContact CD-CG2 4.5Å; K120-L149 HydrophobicContact CB-CB 4.33Å; K120-L149 HydrophobicContact CB-CD1 3.75Å; K120-S152 WeakPolarHBondContact CG-OG 3.04Å; K120-N170 PolarHBondContact NZ-OD1 3.38Å
121A96Very high96.3Very high25 Ų2522.7 Ų22.721%0.20712%0.124CC..Hα-helixtrans-74.3-49.7175.300000112.2F36 L118 S119 E123 L124 L149F36-A121 HydrophobicContact CD2-CB 4.3Å; L118-A121 PolarHBondContact O-N 3Å; L118-A121 VanDerWaalsContact O-N 3.15Å; S119-A121 PolarHBondContact O-N 2.99Å; A121-E123 VanDerWaalsContact C-N 3.31Å; A121-E123 PolarHBondContact O-N 2.93Å; A121-L124 VanDerWaalsContact O-CB 3.25Å; A121-L124 WeakPolarHBondContact O-CB 3.48Å; A121-L124 WeakPolarHBondContact O-CG 3.45Å; A121-L124 PolarHBondContact O-N 3.39Å; A121-L149 HydrophobicContact CB-CD1 4.18Å
122P96Very high96.3Very high64 Ų6422.5 Ų22.542%0.41613%0.125SC..Hα-helixtrans-54.8-41.5168.9-29.936.1000113.7W66 L118 S119 L124 G125W66-P122 HydrophobicContact CH2-CB 4.21Å; W66-P122 VanDerWaalsContact CH2-O 3.26Å; W66-P122 WeakPolarHBondContact CH2-O 3.23Å; W66-P122 WeakPolarHBondContact CZ2-O 3.49Å; L118-P122 WeakPolarHBondContact O-CD 3.49Å; S119-P122 VanDerWaalsContact O-CD 3.27Å; S119-P122 WeakPolarHBondContact O-CD 3.46Å; P122-L124 PolarHBondContact O-N 3.16Å; P122-G125 WeakPolarHBondContact O-CA 3.05Å; P122-G125 PolarHBondContact O-N 2.71Å
123E97.2Very high96.1Very high1 Ų125.4 Ų25.41%0.00514%0.136CC..Hα-helixtrans-56-22.8179.5-76.5170.8-145.800113.4L70 S119 K120 A121 G125 D126 H174L70-E123 HydrophobicContact CD2-CG 4.49Å; S119-E123 WeakPolarHBondContact O-CB 3.21Å; S119-E123 WeakPolarHBondContact O-CG 3.43Å; S119-E123 PolarHBondContact O-N 3.07Å; S119-E123 PolarHBondContact OG-OE1 2.93Å; K120-E123 WeakPolarHBondContact CD-OE2 3.41Å; K120-E123 IonicContact NZ-OE1 3.54Å; K120-E123 PolarHBondContact NZ-OE1 3.23Å; K120-E123 IonicContact NZ-OE2 3.94Å; K120-E123 PolarHBondContact NZ-OE2 3.24Å; A121-E123 VanDerWaalsContact C-N 3.31Å; A121-E123 PolarHBondContact O-N 2.93Å; E123-G125 PolarHBondContact O-N 3.1Å; E123-G125 VanDerWaalsContact O-N 3.12Å; E123-D126 WeakPolarHBondContact O-CB 3.34Å; E123-D126 PolarHBondContact O-N 3.41Å; E123-D126 VanDerWaalsContact O-N 3.07Å; E123-H174 IonicContact OE1-ND1 2.6Å; E123-H174 IonicContact OE2-CE1 3.35Å; E123-H174 PolarHBondContact OE2-CE1 3.27Å; E123-H174 IonicContact OE2-ND1 2.89Å
124L95.5Very high95.9Very high20 Ų2030 Ų3011%0.10516%0.155CC..THydrogen-bonded Turntrans-57.8-24.1170.7-57-177.9000112.9Y40 A121 P122 D126 T127 H145 L149Y40-L124 HydrophobicContact CD1-CD2 4.37Å; Y40-L124 HydrophobicContact CD2-CB 3.76Å; Y40-L124 HydrophobicContact CD2-CD1 4.11Å; Y40-L124 HydrophobicContact CD2-CD2 3.93Å; Y40-L124 HydrophobicContact CD2-CG 4.15Å; Y40-L124 HydrophobicContact CE1-CD2 4.37Å; Y40-L124 HydrophobicContact CE2-CB 3.88Å; Y40-L124 HydrophobicContact CE2-CD2 3.92Å; Y40-L124 HydrophobicContact CE2-CG 4.4Å; Y40-L124 HydrophobicContact CG-CD1 4.21Å; Y40-L124 HydrophobicContact CG-CD2 4.13Å; A121-L124 VanDerWaalsContact O-CB 3.25Å; A121-L124 WeakPolarHBondContact O-CB 3.48Å; A121-L124 WeakPolarHBondContact O-CG 3.45Å; A121-L124 PolarHBondContact O-N 3.39Å; P122-L124 PolarHBondContact O-N 3.16Å; L124-D126 PolarHBondContact O-N 3.36Å; L124-T127 PolarHBondContact O-N 2.89Å; L124-T127 VanDerWaalsContact O-N 3.15Å; L124-H145 HydrophobicContact CD2-CB 3.83Å; L124-L149 HydrophobicContact CD1-CD2 3.98Å
125G94.8Very high95.7Very high10 Ų1033 Ų3310%0.10317%0.171CC..Hα-helixtrans-57.1-25.617400000113.9P122 E123 T127 I128 F129P122-G125 WeakPolarHBondContact O-CA 3.05Å; P122-G125 PolarHBondContact O-N 2.71Å; E123-G125 PolarHBondContact O-N 3.1Å; E123-G125 VanDerWaalsContact O-N 3.12Å; G125-T127 PolarHBondContact O-N 2.6Å; G125-I128 VanDerWaalsContact O-CB 3.28Å; G125-I128 WeakPolarHBondContact O-CB 3.42Å; G125-I128 PolarHBondContact O-N 3.36Å; G125-F129 VanDerWaalsContact O-CD2 3.28Å; G125-F129 WeakPolarHBondContact O-CD2 3.29Å; G125-F129 PolarHBondContact O-N 3.31Å
126D95.6Very high95.4Very high15 Ų1541.3 Ų41.38%0.0820%0.204CC..Hα-helixtrans-56.5-40.1175.4-72.6-14.1000111.5W66 E123 L124 I128 F129 I130 Y178W66-D126 PolarHBondContact NE1-OD1 2.89Å; E123-D126 WeakPolarHBondContact O-CB 3.34Å; E123-D126 PolarHBondContact O-N 3.41Å; E123-D126 VanDerWaalsContact O-N 3.07Å; L124-D126 PolarHBondContact O-N 3.36Å; D126-I128 VanDerWaalsContact C-N 3.33Å; D126-I128 PolarHBondContact O-N 2.76Å; D126-F129 PolarHBondContact O-N 2.6Å; D126-I130 WeakPolarHBondContact O-CG1 3.21Å; D126-I130 PolarHBondContact O-N 3.02Å; D126-I130 VanDerWaalsContact O-N 3.17Å; D126-Y178 WeakPolarHBondContact OD2-CE1 3.35Å; D126-Y178 PolarHBondContact OD2-OH 3.42Å
127T96.2Very high95.2Very high0 Ų041.4 Ų41.40%021%0.205CC..Hα-helixtrans-70-31.1179-68.50000112.6Y40 I44 L124 G125 F129 I130 I131 L137 H141Y40-T127 HydrophobicContact CE2-CG2 3.95Å; Y40-T127 PolarHBondContact OH-OG1 2.86Å; I44-T127 HydrophobicContact CD1-CG2 4.17Å; I44-T127 HydrophobicContact CG1-CG2 3.7Å; L124-T127 PolarHBondContact O-N 2.89Å; L124-T127 VanDerWaalsContact O-N 3.15Å; G125-T127 PolarHBondContact O-N 2.6Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 3.31Å; T127-I130 PolarHBondContact O-N 3.1Å; T127-I131 HydrophobicContact CG2-CD1 3.74Å; T127-I131 HydrophobicContact CG2-CG1 4.21Å; T127-I131 WeakPolarHBondContact O-CG1 3.43Å; T127-I131 PolarHBondContact O-N 2.98Å; T127-L137 HydrophobicContact CG2-CD1 4.13Å; T127-L137 HydrophobicContact CG2-CD2 3.78Å; T127-H141 PolarHBondContact OG1-CD2 3Å; T127-H141 PolarHBondContact OG1-NE2 3.23Å
128I94.3Very high95Very high70 Ų7044.2 Ų44.236%0.35922%0.22SC..Hα-helixtrans-58.5-48.7174.2-56.3179.7000109.1F43 G125 D126 I130 I131 L132F43-I128 HydrophobicContact CD1-CG1 4.36Å; F43-I128 HydrophobicContact CE1-CB 4.15Å; F43-I128 HydrophobicContact CE1-CG1 3.63Å; F43-I128 HydrophobicContact CE1-CG2 4.44Å; F43-I128 HydrophobicContact CZ-CB 4.18Å; F43-I128 HydrophobicContact CZ-CG1 3.85Å; F43-I128 HydrophobicContact CZ-CG2 3.96Å; G125-I128 VanDerWaalsContact O-CB 3.28Å; G125-I128 WeakPolarHBondContact O-CB 3.42Å; G125-I128 PolarHBondContact O-N 3.36Å; D126-I128 VanDerWaalsContact C-N 3.33Å; D126-I128 PolarHBondContact O-N 2.76Å; I128-I130 VanDerWaalsContact C-N 3.34Å; I128-I130 PolarHBondContact O-N 3.12Å; I128-I131 PolarHBondContact O-N 2.97Å; I128-L132 HydrophobicContact CG2-CD1 3.67Å; I128-L132 HydrophobicContact CG2-CG 4.19Å; I128-L132 WeakPolarHBondContact O-CB 3.37Å; I128-L132 VanDerWaalsContact O-CG 3.29Å; I128-L132 WeakPolarHBondContact O-CG 3.13Å; I128-L132 PolarHBondContact O-N 2.86Å
129F95Very high94.9Very high30 Ų3047 Ų4713%0.13223%0.23CC..Hα-helixtrans-62.4-39.4177-70.4-72.5000112.8L59 P62 L63 W66 G125 D126 T127 R133L59-F129 HydrophobicContact CB-CD1 4.08Å; L59-F129 HydrophobicContact CB-CE1 4.27Å; L59-F129 HydrophobicContact CD1-CD1 4.12Å; L59-F129 HydrophobicContact CD1-CE1 4.48Å; P62-F129 HydrophobicContact CB-CE1 3.97Å; P62-F129 HydrophobicContact CB-CZ 4.33Å; L63-F129 HydrophobicContact CB-CD1 4.12Å; L63-F129 HydrophobicContact CB-CE1 4.27Å; L63-F129 HydrophobicContact CD1-CB 4.01Å; L63-F129 HydrophobicContact CD1-CD1 4.19Å; L63-F129 HydrophobicContact CD1-CD2 4.05Å; L63-F129 HydrophobicContact CD1-CG 3.81Å; W66-F129 HydrophobicContact CB-CE2 3.85Å; W66-F129 HydrophobicContact CB-CZ 4Å; W66-F129 AromaticContact CD1-CE2 3.66Å; W66-F129 AromaticContact CD2-CE2 3.8Å; W66-F129 HydrophobicContact CD2-CE2 3.8Å; W66-F129 HydrophobicContact CE3-CE2 4.45Å; W66-F129 HydrophobicContact CG-CD2 4.3Å; W66-F129 AromaticContact CG-CE2 3.48Å; W66-F129 HydrophobicContact CG-CE2 3.48Å; W66-F129 VanDerWaalsContact CG-CE2 3.48Å; W66-F129 HydrophobicContact CG-CZ 4.11Å; G125-F129 VanDerWaalsContact O-CD2 3.28Å; G125-F129 WeakPolarHBondContact O-CD2 3.29Å; G125-F129 PolarHBondContact O-N 3.31Å; D126-F129 PolarHBondContact O-N 2.6Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 3.31Å; F129-R133 WeakPolarHBondContact O-CB 3.23Å; F129-R133 WeakPolarHBondContact O-CG 3.25Å; F129-R133 PolarHBondContact O-N 3.5Å
130I95.1Very high94.8Very high37 Ų3747.3 Ų47.319%0.1923%0.231CC..Hα-helixtrans-62.2-47.6178-66.6170.5000110.4D126 T127 I128 K134 Q135 L137D126-I130 WeakPolarHBondContact O-CG1 3.21Å; D126-I130 PolarHBondContact O-N 3.02Å; D126-I130 VanDerWaalsContact O-N 3.17Å; T127-I130 PolarHBondContact O-N 3.1Å; I128-I130 VanDerWaalsContact C-N 3.34Å; I128-I130 PolarHBondContact O-N 3.12Å; I130-K134 PolarHBondContact O-N 2.97Å; I130-Q135 HydrophobicContact CB-CB 4.49Å; I130-Q135 HydrophobicContact CG2-CB 3.86Å; I130-Q135 PolarHBondContact O-N 2.82Å; I130-L137 HydrophobicContact CD1-CD1 4.36Å; I130-L137 HydrophobicContact CG2-CB 3.7Å; I130-L137 HydrophobicContact CG2-CD1 4.32Å
131I95.5Very high94.7Very high7 Ų749.1 Ų49.14%0.03624%0.239CC..Hα-helixtrans-67-50.1-178.4-69.5174.2000111.2F43 I44 R48 M51 T127 I128 R133 K134 L137F43-I131 HydrophobicContact CD1-CD1 4.21Å; F43-I131 HydrophobicContact CE1-CD1 3.88Å; I44-I131 HydrophobicContact CB-CD1 4.35Å; I44-I131 HydrophobicContact CG1-CD1 4.16Å; R48-I131 HydrophobicContact CG-CD1 4.47Å; R48-I131 HydrophobicContact CG-CG1 4.36Å; M51-I131 HydrophobicContact CG-CG2 3.96Å; T127-I131 HydrophobicContact CG2-CD1 3.74Å; T127-I131 HydrophobicContact CG2-CG1 4.21Å; T127-I131 WeakPolarHBondContact O-CG1 3.43Å; T127-I131 PolarHBondContact O-N 2.98Å; I128-I131 PolarHBondContact O-N 2.97Å; I131-R133 VanDerWaalsContact C-N 3.25Å; I131-R133 PolarHBondContact O-N 2.96Å; I131-K134 PolarHBondContact O-N 3.31Å; I131-L137 HydrophobicContact CD1-CD2 4.28Å; I131-L137 HydrophobicContact CG1-CD2 4.33Å
132L94.7Very high94.7Very high47 Ų4751.3 Ų51.325%0.24624%0.242CC..Hα-helixtrans-65.3-29-177.9-66.5-179.1000112.7M51 F57 L59 I128 K134M51-L132 WeakPolarHBondContact CE-O 3.48Å; M51-L132 HydrophobicContact CG-CD2 4.39Å; M51-L132 HydrophobicContact SD-CD2 3.92Å; F57-L132 HydrophobicContact CD2-CB 4.11Å; F57-L132 HydrophobicContact CD2-CD2 4.1Å; F57-L132 HydrophobicContact CE2-CD2 4.17Å; F57-L132 PolarHBondContact N-O 3.43Å; L59-L132 HydrophobicContact CD1-CB 3.58Å; L59-L132 HydrophobicContact CD1-CD1 3.66Å; L59-L132 HydrophobicContact CD1-CG 4.29Å; I128-L132 HydrophobicContact CG2-CD1 3.67Å; I128-L132 HydrophobicContact CG2-CG 4.19Å; I128-L132 WeakPolarHBondContact O-CB 3.37Å; I128-L132 VanDerWaalsContact O-CG 3.29Å; I128-L132 WeakPolarHBondContact O-CG 3.13Å; I128-L132 PolarHBondContact O-N 2.86Å; L132-K134 VanDerWaalsContact C-N 3.32Å
133R94.4Very high94.7Very high78 Ų7850.9 Ų50.929%0.29423%0.233SC..THydrogen-bonded Turntrans-89.46.7175-62.7178.565.5-138.3-3.1113.6L59 L63 F129 I131 Q135L59-R133 HydrophobicContact CB-CG 4.32Å; L59-R133 HydrophobicContact CD1-CG 4.5Å; L63-R133 VanDerWaalsContact CD2-NH1 3.28Å; F129-R133 WeakPolarHBondContact O-CB 3.23Å; F129-R133 WeakPolarHBondContact O-CG 3.25Å; F129-R133 PolarHBondContact O-N 3.5Å; I131-R133 VanDerWaalsContact C-N 3.25Å; I131-R133 PolarHBondContact O-N 2.96Å; R133-Q135 HydrophobicContact CB-CG 3.98Å; R133-Q135 PolarHBondContact O-N 3.32Å; R133-Q135 PolarHBondContact O-NE2 3.32Å; R133-Q135 VanDerWaalsContact O-NE2 3.1Å
134K92.4Very high94.7Very high95 Ų9551.8 Ų51.841%0.41324%0.237SC..THydrogen-bonded Turntrans51.937.1-176.7-64.7-168.1163.1-165.80113.8M51 R54 K56 I130 I131 L132M51-K134 HydrophobicContact CE-CG 4.04Å; M51-K134 WeakPolarHBondContact O-CE 3.39Å; M51-K134 PolarHBondContact O-NZ 2.81Å; R54-K134 WeakPolarHBondContact O-CE 3.39Å; R54-K134 PolarHBondContact O-NZ 3.18Å; K56-K134 HydrophobicContact CB-CB 4.35Å; K56-K134 HydrophobicContact CB-CD 4.3Å; K56-K134 HydrophobicContact CB-CG 4.17Å; I130-K134 PolarHBondContact O-N 2.97Å; I131-K134 PolarHBondContact O-N 3.31Å; L132-K134 VanDerWaalsContact C-N 3.32Å
135Q92.6Very high94.8Very high103 Ų10351.1 Ų51.148%0.48123%0.233SC..  trans-83.3154.2175-61.1-57.5-60.400110.3I130 R133 L137I130-Q135 HydrophobicContact CB-CB 4.49Å; I130-Q135 HydrophobicContact CG2-CB 3.86Å; I130-Q135 PolarHBondContact O-N 2.82Å; R133-Q135 HydrophobicContact CB-CG 3.98Å; R133-Q135 PolarHBondContact O-N 3.32Å; R133-Q135 PolarHBondContact O-NE2 3.32Å; R133-Q135 VanDerWaalsContact O-NE2 3.1Å; Q135-L137 PolarHBondContact O-N 3.39Å
136K91.6Very high94.9Very high189 Ų18952 Ų5282%0.82224%0.235SC*.  trans-68.1105.4179-174.4-177.8-179.2-177.50109.8I138K136-I138 HydrophobicContact CD-CG2 4.46Å; K136-I138 HydrophobicContact CG-CG2 4.35Å; K136-I138 PolarHBondContact O-N 3.46Å
137L93.3Very high95Very high14 Ų1452.8 Ų52.87%0.07324%0.241CC..  trans-79.9109171.8171.867.4000109.4I44 R48 T127 I130 I131 Q135 H141 W142I44-L137 HydrophobicContact CB-CD2 4.49Å; I44-L137 HydrophobicContact CD1-CD2 4.31Å; I44-L137 HydrophobicContact CG1-CD2 4.04Å; I44-L137 HydrophobicContact CG2-CD2 3.68Å; R48-L137 VanDerWaalsContact NH2-CD2 3.33Å; R48-L137 PolarHBondContact NH2-O 3.49Å; T127-L137 HydrophobicContact CG2-CD1 4.13Å; T127-L137 HydrophobicContact CG2-CD2 3.78Å; I130-L137 HydrophobicContact CD1-CD1 4.36Å; I130-L137 HydrophobicContact CG2-CB 3.7Å; I130-L137 HydrophobicContact CG2-CD1 4.32Å; I131-L137 HydrophobicContact CD1-CD2 4.28Å; I131-L137 HydrophobicContact CG1-CD2 4.33Å; Q135-L137 PolarHBondContact O-N 3.39Å; L137-H141 HydrophobicContact CD1-CB 4.09Å; L137-H141 WeakPolarHBondContact CD1-CD2 3.47Å; L137-W142 HydrophobicContact CD1-CB 4.42Å
138I94Very high95.1Very high60 Ų6053.4 Ų53.431%0.30825%0.245SC..  trans-82.8155.3-178.461.1174.2000112K136 L140 H141 W142 F251K136-I138 HydrophobicContact CD-CG2 4.46Å; K136-I138 HydrophobicContact CG-CG2 4.35Å; K136-I138 PolarHBondContact O-N 3.46Å; I138-L140 HydrophobicContact CD1-CB 4.13Å; I138-L140 HydrophobicContact CD1-CD2 4.45Å; I138-L140 HydrophobicContact CG1-CB 4.42Å; I138-L140 PolarHBondContact O-N 2.96Å; I138-H141 HydrophobicContact CG1-CB 3.86Å; I138-H141 PolarHBondContact O-N 2.84Å; I138-W142 VanDerWaalsContact O-CD1 3.28Å; I138-F251 HydrophobicContact CD1-CD2 4.31Å; I138-F251 HydrophobicContact CD1-CE2 4.28Å
139F94.2Very high95.2Very high109 Ų10950.1 Ų50.148%0.47823%0.227SC..Hα-helixtrans-53.9-50.6178.3175.1-104.5000112.6H141 W142 Y143 L247F139-H141 PolarHBondContact O-N 3.02Å; F139-H141 VanDerWaalsContact O-N 3.1Å; F139-W142 AromaticContact CD2-CE2 3.69Å; F139-W142 HydrophobicContact CD2-CH2 4.08Å; F139-W142 AromaticContact CD2-CZ2 3.33Å; F139-W142 HydrophobicContact CD2-CZ2 3.33Å; F139-W142 AromaticContact CD2-NE1 3.92Å; F139-W142 AromaticContact CE2-CH2 3.74Å; F139-W142 HydrophobicContact CE2-CH2 3.74Å; F139-W142 AromaticContact CE2-CZ2 3.49Å; F139-W142 HydrophobicContact CE2-CZ2 3.49Å; F139-W142 VanDerWaalsContact CE2-CZ2 3.49Å; F139-W142 PolarHBondContact O-N 3.44Å; F139-Y143 HydrophobicContact CE1-CD1 4.38Å; F139-Y143 HydrophobicContact CE1-CG 4.08Å; F139-Y143 AromaticContact CZ-CD2 3.92Å; F139-Y143 HydrophobicContact CZ-CD2 3.92Å; F139-Y143 AromaticContact CZ-CG 3.87Å; F139-Y143 HydrophobicContact CZ-CG 3.87Å; F139-Y143 VanDerWaalsContact O-CB 3.23Å; F139-Y143 WeakPolarHBondContact O-CB 3.38Å; F139-Y143 PolarHBondContact O-N 2.83Å; F139-L247 HydrophobicContact CD1-CD1 4.47Å; F139-L247 HydrophobicContact CD1-CD2 4.11Å; F139-L247 HydrophobicContact CE1-CD1 4.12Å; F139-L247 HydrophobicContact CE1-CD2 4.16Å
140L94.4Very high95.3Very high18 Ų1850.6 Ų50.69%0.09423%0.231CC..Hα-helixtrans-49.1-41.1179.7170.162.9000112.6I138 H144 L247 F248 F251I138-L140 HydrophobicContact CD1-CB 4.13Å; I138-L140 HydrophobicContact CD1-CD2 4.45Å; I138-L140 HydrophobicContact CG1-CB 4.42Å; I138-L140 PolarHBondContact O-N 2.96Å; L140-H144 WeakPolarHBondContact O-CB 3.29Å; L140-H144 PolarHBondContact O-N 3.49Å; L140-L247 HydrophobicContact CD1-CB 3.59Å; L140-L247 HydrophobicContact CD1-CD1 4.04Å; L140-L247 HydrophobicContact CD1-CG 4.46Å; L140-F248 HydrophobicContact CD1-CD2 4.04Å; L140-F248 HydrophobicContact CD1-CE2 3.88Å; L140-F248 HydrophobicContact CD1-CZ 4.32Å; L140-F248 HydrophobicContact CD2-CD1 4.04Å; L140-F248 HydrophobicContact CD2-CD2 4.45Å; L140-F248 HydrophobicContact CD2-CE1 3.97Å; L140-F248 HydrophobicContact CD2-CE2 4.39Å; L140-F248 HydrophobicContact CD2-CG 4.28Å; L140-F248 HydrophobicContact CD2-CZ 4.15Å; L140-F251 HydrophobicContact CD2-CB 4.15Å; L140-F251 HydrophobicContact CD2-CG 4.39Å
141H95.8Very high95.4Very high40 Ų4050 Ų5019%0.18523%0.227CC..Hα-helixtrans-68-57.1-175.3-176.585.9000112T127 L137 I138 F139 H144 H145T127-H141 PolarHBondContact OG1-CD2 3Å; T127-H141 PolarHBondContact OG1-NE2 3.23Å; L137-H141 HydrophobicContact CD1-CB 4.09Å; L137-H141 WeakPolarHBondContact CD1-CD2 3.47Å; I138-H141 HydrophobicContact CG1-CB 3.86Å; I138-H141 PolarHBondContact O-N 2.84Å; F139-H141 PolarHBondContact O-N 3.02Å; F139-H141 VanDerWaalsContact O-N 3.1Å; H141-H144 PolarHBondContact O-N 2.89Å; H141-H145 AromaticContact CD2-CD2 3.61Å; H141-H145 AromaticContact CE1-CD2 3.43Å; H141-H145 PolarHBondContact CE1-CD2 2.91Å; H141-H145 VanDerWaalsContact CE1-CD2 3.43Å; H141-H145 AromaticContact CE1-NE2 3.07Å; H141-H145 PolarHBondContact CE1-NE2 3.29Å; H141-H145 AromaticContact CG-CD2 3.9Å; H141-H145 AromaticContact ND1-CD2 3.78Å; H141-H145 AromaticContact ND1-NE2 3.63Å; H141-H145 AromaticContact NE2-CD2 3.35Å; H141-H145 PolarHBondContact NE2-CD2 3.31Å; H141-H145 VanDerWaalsContact NE2-CD2 3.35Å; H141-H145 AromaticContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact O-CD2 3.41Å; H141-H145 PolarHBondContact O-N 2.85Å
142W95.6Very high95.5Very high70 Ų7050.1 Ų50.127%0.26523%0.228SC..Hα-helixtrans-72.6-32.6-175.568.4-98000112.6Y40 I44 L137 I138 F139 I146Y40-W142 HydrophobicContact CE1-CB 4.16Å; I44-W142 HydrophobicContact CD1-CB 3.54Å; I44-W142 HydrophobicContact CD1-CG 4.2Å; L137-W142 HydrophobicContact CD1-CB 4.42Å; I138-W142 VanDerWaalsContact O-CD1 3.28Å; F139-W142 AromaticContact CD2-CE2 3.69Å; F139-W142 HydrophobicContact CD2-CH2 4.08Å; F139-W142 AromaticContact CD2-CZ2 3.33Å; F139-W142 HydrophobicContact CD2-CZ2 3.33Å; F139-W142 AromaticContact CD2-NE1 3.92Å; F139-W142 AromaticContact CE2-CH2 3.74Å; F139-W142 HydrophobicContact CE2-CH2 3.74Å; F139-W142 AromaticContact CE2-CZ2 3.49Å; F139-W142 HydrophobicContact CE2-CZ2 3.49Å; F139-W142 VanDerWaalsContact CE2-CZ2 3.49Å; F139-W142 PolarHBondContact O-N 3.44Å; W142-I146 HydrophobicContact CE3-CD1 3.83Å; W142-I146 HydrophobicContact CZ3-CD1 4.14Å; W142-I146 WeakPolarHBondContact O-CG1 3.2Å; W142-I146 PolarHBondContact O-N 3.21Å; W142-I146 VanDerWaalsContact O-N 3.17Å
143Y97.1Very high95.6Very high56 Ų5648 Ų4822%0.2222%0.217CC..Hα-helixtrans-58.4-55.1171.5172.5-107.6000110F139 H145 I146 T147 S243 Y244 L247F139-Y143 HydrophobicContact CE1-CD1 4.38Å; F139-Y143 HydrophobicContact CE1-CG 4.08Å; F139-Y143 AromaticContact CZ-CD2 3.92Å; F139-Y143 HydrophobicContact CZ-CD2 3.92Å; F139-Y143 AromaticContact CZ-CG 3.87Å; F139-Y143 HydrophobicContact CZ-CG 3.87Å; F139-Y143 VanDerWaalsContact O-CB 3.23Å; F139-Y143 WeakPolarHBondContact O-CB 3.38Å; F139-Y143 PolarHBondContact O-N 2.83Å; Y143-H145 PolarHBondContact O-N 3.4Å; Y143-I146 PolarHBondContact O-N 3.39Å; Y143-T147 HydrophobicContact CD2-CG2 4.19Å; Y143-T147 HydrophobicContact CE2-CG2 3.73Å; Y143-T147 PolarHBondContact O-N 3.32Å; Y143-T147 PolarHBondContact O-OG1 3.47Å; Y143-S243 WeakPolarHBondContact CE1-OG 3.47Å; Y143-S243 PolarHBondContact OH-OG 3.48Å; Y143-S243 VanDerWaalsContact OH-OG 3.09Å; Y143-Y244 HydrophobicContact CD1-CD1 4.32Å; Y143-Y244 AromaticContact CD1-CE1 3.97Å; Y143-Y244 HydrophobicContact CD1-CE1 3.97Å; Y143-Y244 AromaticContact CE1-CD1 3.91Å; Y143-Y244 HydrophobicContact CE1-CD1 3.91Å; Y143-Y244 AromaticContact CE1-CE1 3.65Å; Y143-Y244 HydrophobicContact CE1-CE1 3.65Å; Y143-L247 HydrophobicContact CD1-CD1 3.64Å; Y143-L247 HydrophobicContact CE1-CD1 3.79Å
144H96.9Very high95.6Very high19 Ų1946.1 Ų46.19%0.08821%0.21CC..Hα-helixtrans-53.5-49.5178.2169.8-89000112.7L140 H141 I146 T147 V148 Y244L140-H144 WeakPolarHBondContact O-CB 3.29Å; L140-H144 PolarHBondContact O-N 3.49Å; H141-H144 PolarHBondContact O-N 2.89Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 PolarHBondContact O-N 3Å; H144-T147 PolarHBondContact O-N 3.4Å; H144-T147 PolarHBondContact O-OG1 3.3Å; H144-V148 WeakPolarHBondContact O-CB 3.46Å; H144-V148 WeakPolarHBondContact O-CG1 3.37Å; H144-V148 PolarHBondContact O-N 2.87Å; H144-Y244 HydrophobicContact CB-CE1 4.17Å; H144-Y244 AromaticContact CD2-CD2 3.92Å; H144-Y244 AromaticContact CD2-CE2 3.43Å; H144-Y244 VanDerWaalsContact CD2-CE2 3.43Å; H144-Y244 WeakPolarHBondContact CD2-CE2 3.42Å; H144-Y244 AromaticContact CD2-CZ 3.52Å; H144-Y244 PolarHBondContact O-OH 3.39Å; H144-Y244 VanDerWaalsContact O-OH 3.1Å
145H97.4Very high95.8Very high7 Ų742 Ų423%0.03219%0.193CC..Hα-helixtrans-63.4-36.2-177.8-83.3-68.1000113.2Y40 L124 H141 Y143 L149Y40-H145 HydrophobicContact CE1-CB 4.31Å; L124-H145 HydrophobicContact CD2-CB 3.83Å; H141-H145 AromaticContact CD2-CD2 3.61Å; H141-H145 AromaticContact CE1-CD2 3.43Å; H141-H145 PolarHBondContact CE1-CD2 2.91Å; H141-H145 VanDerWaalsContact CE1-CD2 3.43Å; H141-H145 AromaticContact CE1-NE2 3.07Å; H141-H145 PolarHBondContact CE1-NE2 3.29Å; H141-H145 AromaticContact CG-CD2 3.9Å; H141-H145 AromaticContact ND1-CD2 3.78Å; H141-H145 AromaticContact ND1-NE2 3.63Å; H141-H145 AromaticContact NE2-CD2 3.35Å; H141-H145 PolarHBondContact NE2-CD2 3.31Å; H141-H145 VanDerWaalsContact NE2-CD2 3.35Å; H141-H145 AromaticContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact NE2-NE2 3.42Å; H141-H145 PolarHBondContact O-CD2 3.41Å; H141-H145 PolarHBondContact O-N 2.85Å; Y143-H145 PolarHBondContact O-N 3.4Å; H145-L149 VanDerWaalsContact O-CB 3.32Å; H145-L149 WeakPolarHBondContact O-CB 3.1Å; H145-L149 PolarHBondContact O-N 3.01Å
146I97.4Very high95.9Very high28 Ų2837.1 Ų37.114%0.14417%0.17CC..Hα-helixtrans-67.9-54174.2-70.8175.1000110.2Y40 A41 W142 Y143 H144 V148 L149 L150Y40-I146 HydrophobicContact CD1-CD1 3.91Å; Y40-I146 HydrophobicContact CD1-CG1 3.54Å; Y40-I146 HydrophobicContact CE1-CD1 4.12Å; Y40-I146 HydrophobicContact CE1-CG1 3.69Å; A41-I146 HydrophobicContact CB-CD1 4.49Å; W142-I146 HydrophobicContact CE3-CD1 3.83Å; W142-I146 HydrophobicContact CZ3-CD1 4.14Å; W142-I146 WeakPolarHBondContact O-CG1 3.2Å; W142-I146 PolarHBondContact O-N 3.21Å; W142-I146 VanDerWaalsContact O-N 3.17Å; Y143-I146 PolarHBondContact O-N 3.39Å; H144-I146 VanDerWaalsContact C-N 3.33Å; H144-I146 PolarHBondContact O-N 3Å; I146-V148 PolarHBondContact O-N 3.45Å; I146-L149 PolarHBondContact O-N 3.17Å; I146-L150 HydrophobicContact CG2-CD1 3.91Å; I146-L150 WeakPolarHBondContact O-CG 3.45Å; I146-L150 PolarHBondContact O-N 3Å; I146-L150 VanDerWaalsContact O-N 3.1Å
147T97.6Very high95.9Very high32 Ų3229.7 Ų29.720%0.19614%0.138CC..Hα-helixtrans-68.9-36.8-171.442.70000112.5Y143 H144 Y151 Y244Y143-T147 HydrophobicContact CD2-CG2 4.19Å; Y143-T147 HydrophobicContact CE2-CG2 3.73Å; Y143-T147 PolarHBondContact O-N 3.32Å; Y143-T147 PolarHBondContact O-OG1 3.47Å; H144-T147 PolarHBondContact O-N 3.4Å; H144-T147 PolarHBondContact O-OG1 3.3Å; T147-Y151 WeakPolarHBondContact O-CB 3.49Å; T147-Y151 PolarHBondContact O-N 2.86Å; T147-Y244 WeakPolarHBondContact CB-OH 3.35Å; T147-Y244 WeakPolarHBondContact OG1-CE1 3.46Å; T147-Y244 PolarHBondContact OG1-OH 3.47Å
148V96.9Very high95.7Very high13 Ų1330.2 Ų30.28%0.07914%0.141CC..Hα-helixtrans-68.7-34.5176.378.70000112.3K120 H144 I146 S152 Y244K120-V148 HydrophobicContact CD-CG1 4.31Å; K120-V148 HydrophobicContact CD-CG2 4.5Å; H144-V148 WeakPolarHBondContact O-CB 3.46Å; H144-V148 WeakPolarHBondContact O-CG1 3.37Å; H144-V148 PolarHBondContact O-N 2.87Å; I146-V148 PolarHBondContact O-N 3.45Å; V148-S152 WeakPolarHBondContact O-CB 3.3Å; V148-S152 PolarHBondContact O-N 3.45Å; V148-S152 PolarHBondContact O-OG 2.81Å; V148-Y244 PolarHBondContact N-OH 3.45Å
149L97.6Very high95.7Very high0 Ų029.6 Ų29.60%014%0.137CC..Hα-helixtrans-64.7-51.2175.4176.164.7000110.7F36 K120 A121 L124 H145 I146 S152 W153F36-L149 HydrophobicContact CB-CD2 3.89Å; K120-L149 HydrophobicContact CB-CB 4.33Å; K120-L149 HydrophobicContact CB-CD1 3.75Å; A121-L149 HydrophobicContact CB-CD1 4.18Å; L124-L149 HydrophobicContact CD1-CD2 3.98Å; H145-L149 VanDerWaalsContact O-CB 3.32Å; H145-L149 WeakPolarHBondContact O-CB 3.1Å; H145-L149 PolarHBondContact O-N 3.01Å; I146-L149 PolarHBondContact O-N 3.17Å; L149-S152 PolarHBondContact O-OG 3.34Å; L149-W153 HydrophobicContact CD1-CG 4.46Å; L149-W153 VanDerWaalsContact O-CD1 3.23Å; L149-W153 PolarHBondContact O-N 2.99Å
150L97.6Very high95.6Very high40 Ų4024.5 Ų24.521%0.20912%0.115CC..Hα-helixtrans-59.6-49.5178.3-66.1174.7000111.3F34 I146 Y154F34-L150 HydrophobicContact CB-CD2 4.43Å; F34-L150 HydrophobicContact CD1-CD1 4.48Å; F34-L150 HydrophobicContact CD1-CD2 3.62Å; F34-L150 HydrophobicContact CD2-CD2 4.39Å; F34-L150 HydrophobicContact CE1-CD1 4.35Å; F34-L150 HydrophobicContact CE1-CD2 3.88Å; F34-L150 HydrophobicContact CG-CD2 3.89Å; F34-L150 HydrophobicContact CZ-CD2 4.37Å; I146-L150 HydrophobicContact CG2-CD1 3.91Å; I146-L150 WeakPolarHBondContact O-CG 3.45Å; I146-L150 PolarHBondContact O-N 3Å; I146-L150 VanDerWaalsContact O-N 3.1Å; L150-Y154 VanDerWaalsContact O-CB 3.23Å; L150-Y154 WeakPolarHBondContact O-CB 3.48Å; L150-Y154 PolarHBondContact O-N 3.44Å
151Y97.1Very high95.6Very high25 Ų2523.8 Ų23.810%0.09811%0.112CC..Hα-helixtrans-65.9-46.5-176.6176.3-102.5000112.3T147 W153 Y154 S155 N233 W236 S237 M240T147-Y151 WeakPolarHBondContact O-CB 3.49Å; T147-Y151 PolarHBondContact O-N 2.86Å; Y151-W153 VanDerWaalsContact C-N 3.33Å; Y151-W153 PolarHBondContact O-N 3.14Å; Y151-Y154 PolarHBondContact O-N 3.12Å; Y151-S155 WeakPolarHBondContact CE2-OG 3.17Å; Y151-S155 WeakPolarHBondContact O-CB 3.25Å; Y151-S155 PolarHBondContact O-N 3.09Å; Y151-S155 PolarHBondContact O-OG 3.34Å; Y151-S155 VanDerWaalsContact O-OG 3.14Å; Y151-S155 PolarHBondContact OH-OG 3.1Å; Y151-N233 PolarHBondContact OH-OD1 3.26Å; Y151-W236 HydrophobicContact CD2-CB 4.48Å; Y151-S237 VanDerWaalsContact CZ-CB 3.45Å; Y151-S237 WeakPolarHBondContact OH-CB 3.43Å; Y151-S237 PolarHBondContact OH-OG 3.5Å; Y151-M240 HydrophobicContact CD1-CE 3.4Å; Y151-M240 VanDerWaalsContact CD1-CE 3.4Å; Y151-M240 HydrophobicContact CD1-SD 3.87Å; Y151-M240 HydrophobicContact CE1-CE 3.76Å; Y151-M240 HydrophobicContact CG-CE 3.92Å; Y151-M240 HydrophobicContact CG-SD 3.89Å
152S96.7Very high95.5Very high9 Ų922 Ų226%0.06310%0.104CC..Hα-helixtrans-62-40.5-179.257.60000112.5K120 V148 L149 Y156K120-S152 WeakPolarHBondContact CG-OG 3.04Å; V148-S152 WeakPolarHBondContact O-CB 3.3Å; V148-S152 PolarHBondContact O-N 3.45Å; V148-S152 PolarHBondContact O-OG 2.81Å; L149-S152 PolarHBondContact O-OG 3.34Å; S152-Y156 VanDerWaalsContact O-CB 3.32Å; S152-Y156 WeakPolarHBondContact O-CB 3.47Å; S152-Y156 PolarHBondContact O-N 3.37Å
153W96.8Very high95.5Very high4 Ų418.9 Ų18.92%0.0159%0.094CC..Hα-helixtrans-69.7-41.6177.6-76.144.3000111.7W25 M26 W30 K32 F36 V117 L118 L149 Y151W25-W153 AromaticContact CH2-CH2 3.75Å; W25-W153 HydrophobicContact CH2-CH2 3.75Å; W25-W153 HydrophobicContact CH2-CZ3 4.06Å; W25-W153 HydrophobicContact CZ3-CH2 4.04Å; W25-W153 HydrophobicContact CZ3-CZ3 4.17Å; M26-W153 HydrophobicContact CE-CB 3.94Å; M26-W153 HydrophobicContact CE-CD2 3.98Å; M26-W153 HydrophobicContact CE-CE3 4.27Å; M26-W153 HydrophobicContact CE-CG 3.88Å; W30-W153 HydrophobicContact CB-CB 4.34Å; W30-W153 WeakPolarHBondContact CB-O 3.33Å; K32-W153 HydrophobicContact CB-CZ3 4Å; F36-W153 HydrophobicContact CD2-CH2 4.21Å; F36-W153 HydrophobicContact CD2-CZ2 4.49Å; F36-W153 AromaticContact CE2-CH2 3.66Å; F36-W153 HydrophobicContact CE2-CH2 3.66Å; F36-W153 HydrophobicContact CE2-CZ2 4.21Å; F36-W153 HydrophobicContact CE2-CZ3 4.27Å; V117-W153 HydrophobicContact CG1-CB 4.48Å; V117-W153 HydrophobicContact CG1-CG 3.95Å; V117-W153 PolarHBondContact O-NE1 2.87Å; L118-W153 HydrophobicContact CD2-CZ2 4.07Å; L149-W153 HydrophobicContact CD1-CG 4.46Å; L149-W153 VanDerWaalsContact O-CD1 3.23Å; L149-W153 PolarHBondContact O-N 2.99Å; Y151-W153 VanDerWaalsContact C-N 3.33Å; Y151-W153 PolarHBondContact O-N 3.14Å
154Y95.8Very high95.4Very high38 Ų3816.5 Ų16.515%0.1499%0.086CC..Hα-helixtrans-63.6-42.4175.9173.3-104.5000112.6W30 L150 Y151 K157 N233W30-Y154 HydrophobicContact CE3-CD2 4.11Å; W30-Y154 HydrophobicContact CH2-CD2 4.11Å; W30-Y154 AromaticContact CZ3-CD2 3.76Å; W30-Y154 HydrophobicContact CZ3-CD2 3.76Å; L150-Y154 VanDerWaalsContact O-CB 3.23Å; L150-Y154 WeakPolarHBondContact O-CB 3.48Å; L150-Y154 PolarHBondContact O-N 3.44Å; Y151-Y154 PolarHBondContact O-N 3.12Å; Y154-K157 WeakPolarHBondContact O-CD 3.34Å; Y154-K157 WeakPolarHBondContact O-CE 3.48Å; Y154-K157 VanDerWaalsContact O-CG 3.31Å; Y154-K157 WeakPolarHBondContact O-CG 3.08Å; Y154-N233 HydrophobicContact CE1-CB 4.17Å; Y154-N233 WeakPolarHBondContact CE1-ND2 3.48Å
155S94.7Very high95.5Very high7 Ų717.7 Ų17.75%0.0499%0.09CC..Hα-helixtrans-79.3-34.1-175.4-65.20000113.9Y151 K157 D158 M159 N233Y151-S155 WeakPolarHBondContact CE2-OG 3.17Å; Y151-S155 WeakPolarHBondContact O-CB 3.25Å; Y151-S155 PolarHBondContact O-N 3.09Å; Y151-S155 PolarHBondContact O-OG 3.34Å; Y151-S155 VanDerWaalsContact O-OG 3.14Å; Y151-S155 PolarHBondContact OH-OG 3.1Å; S155-K157 VanDerWaalsContact C-N 3.32Å; S155-K157 PolarHBondContact O-N 2.87Å; S155-D158 PolarHBondContact O-N 3.49Å; S155-M159 PolarHBondContact O-N 3.19Å; S155-N233 WeakPolarHBondContact CA-ND2 3.46Å; S155-N233 WeakPolarHBondContact CB-ND2 3.5Å; S155-N233 PolarHBondContact OG-ND2 3.45Å; S155-N233 PolarHBondContact OG-OD1 3Å
156Y94.8Very high95.5Very high1 Ų117.9 Ų17.90%0.0049%0.091CC..Hα-helixtrans-65.2-35.6-178.9-175.2-81.7000112.6I23 M26 Y104 A113 Y114 V117 S152 D158 M159 M167I23-Y156 HydrophobicContact CG1-CE1 4.25Å; M26-Y156 HydrophobicContact CB-CD1 3.74Å; M26-Y156 HydrophobicContact CB-CE1 4.15Å; M26-Y156 HydrophobicContact CE-CD1 4.49Å; M26-Y156 HydrophobicContact CG-CD1 3.48Å; M26-Y156 VanDerWaalsContact CG-CD1 3.48Å; M26-Y156 HydrophobicContact CG-CE1 3.68Å; M26-Y156 HydrophobicContact CG-CG 4.47Å; Y104-Y156 AromaticContact CD1-CD2 3.76Å; Y104-Y156 HydrophobicContact CD1-CD2 3.76Å; Y104-Y156 AromaticContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CE2 3.6Å; Y104-Y156 HydrophobicContact CD1-CG 4.49Å; Y104-Y156 AromaticContact CE1-CD2 3.56Å; Y104-Y156 HydrophobicContact CE1-CD2 3.56Å; Y104-Y156 AromaticContact CE1-CE2 3.9Å; Y104-Y156 HydrophobicContact CE1-CE2 3.9Å; Y104-Y156 HydrophobicContact CE1-CG 4.22Å; A113-Y156 HydrophobicContact CB-CE2 3.92Å; Y114-Y156 HydrophobicContact CD2-CE1 4.17Å; V117-Y156 HydrophobicContact CB-CD2 4.38Å; V117-Y156 HydrophobicContact CG2-CD2 3.49Å; V117-Y156 VanDerWaalsContact CG2-CD2 3.49Å; V117-Y156 HydrophobicContact CG2-CE2 4.36Å; V117-Y156 HydrophobicContact CG2-CG 3.85Å; S152-Y156 VanDerWaalsContact O-CB 3.32Å; S152-Y156 WeakPolarHBondContact O-CB 3.47Å; S152-Y156 PolarHBondContact O-N 3.37Å; Y156-D158 PolarHBondContact O-N 3.2Å; Y156-D158 VanDerWaalsContact O-N 3.1Å; Y156-M159 PolarHBondContact O-N 3.28Å; Y156-M167 HydrophobicContact CD2-CE 4.09Å
157K91.5Very high95.5Very high33 Ų3317.1 Ų17.114%0.1439%0.087CC..THydrogen-bonded Turntrans-57.3-29.5-177.888.2-171.1171.362.50113.3Q27 W30 Y154 S155Q27-K157 HydrophobicContact CG-CB 4.02Å; Q27-K157 WeakPolarHBondContact CG-O 3.19Å; Q27-K157 PolarHBondContact NE2-O 3.42Å; Q27-K157 VanDerWaalsContact NE2-O 3.15Å; W30-K157 HydrophobicContact CB-CD 4.42Å; W30-K157 HydrophobicContact CD2-CD 4.01Å; W30-K157 HydrophobicContact CG-CD 3.75Å; Y154-K157 WeakPolarHBondContact O-CD 3.34Å; Y154-K157 WeakPolarHBondContact O-CE 3.48Å; Y154-K157 VanDerWaalsContact O-CG 3.31Å; Y154-K157 WeakPolarHBondContact O-CG 3.08Å; S155-K157 VanDerWaalsContact C-N 3.32Å; S155-K157 PolarHBondContact O-N 2.87Å
158D90.4Very high95.5Very high25 Ų2516.6 Ų16.613%0.1348%0.083CC..THydrogen-bonded Turntrans-104.10.1-178.1-62.6-26.3000112.1S155 Y156 V160 Y228 H230S155-D158 PolarHBondContact O-N 3.49Å; Y156-D158 PolarHBondContact O-N 3.2Å; Y156-D158 VanDerWaalsContact O-N 3.1Å; D158-V160 HydrophobicContact CB-CG1 3.79Å; D158-V160 PolarHBondContact O-N 3.3Å; D158-Y228 WeakPolarHBondContact O-CE1 3.27Å; D158-H230 IonicContact OD2-CD2 3.6Å; D158-H230 IonicContact OD2-NE2 3.87Å
159M92.8Very high95.5Very high47 Ų4717.5 Ų17.523%0.2329%0.087CC..THydrogen-bonded Turntrans48.145.8-178.7-59.5179.6-71.800112.9I23 Q101 Y104 I105 S155 Y156I23-M159 HydrophobicContact CD1-CE 4.32Å; I23-M159 HydrophobicContact CD1-SD 3.46Å; I23-M159 WeakPolarHBondContact CD1-SD 3.46Å; I23-M159 HydrophobicContact CG1-SD 4.06Å; Q101-M159 WeakPolarHBondContact CG-O 3.46Å; Q101-M159 PolarHBondContact NE2-O 2.95Å; Y104-M159 HydrophobicContact CD1-CB 4.25Å; Y104-M159 HydrophobicContact CD1-CG 3.98Å; Y104-M159 HydrophobicContact CD2-CB 3.74Å; Y104-M159 HydrophobicContact CD2-CG 4.21Å; Y104-M159 HydrophobicContact CE2-CB 4.06Å; Y104-M159 HydrophobicContact CG-CB 3.85Å; Y104-M159 HydrophobicContact CG-CG 3.78Å; Y104-M159 HydrophobicContact CG-SD 4.38Å; I105-M159 HydrophobicContact CG2-SD 4.48Å; S155-M159 PolarHBondContact O-N 3.19Å; Y156-M159 PolarHBondContact O-N 3.28Å
160V93.1Very high95.6Very high2 Ų217.8 Ų17.81%0.0129%0.089CC..  trans-64.7148.6-171.9-60.90000113.1Y104 D158 G163 N233Y104-V160 PolarHBondContact OH-O 2.98Å; D158-V160 HydrophobicContact CB-CG1 3.79Å; D158-V160 PolarHBondContact O-N 3.3Å; V160-G163 PolarHBondContact O-N 3.46Å; V160-N233 HydrophobicContact CG1-CB 4.34Å
161A93.4Very high95.6Very high4 Ų416 Ų163%0.0338%0.079CC..THydrogen-bonded Turntrans-53.6149.3171.400000112.6G163 V216 C227 Y228A161-G163 VanDerWaalsContact C-N 3.25Å; A161-G163 PolarHBondContact O-N 3.15Å; A161-V216 HydrophobicContact CB-CG1 4.04Å; A161-V216 HydrophobicContact CB-CG2 4.16Å; A161-C227 VanDerWaalsContact CB-SG 3.59Å; A161-Y228 WeakPolarHBondContact CB-O 3.42Å; A161-Y228 PolarHBondContact N-O 3.14Å
162G94.3Very high95.6Very high2 Ų216.2 Ų16.22%0.0219%0.089CC..THydrogen-bonded Turntrans85.9-15.2-176.900000114.2V98 G164 W165 F166V98-G162 WeakPolarHBondContact O-CA 3.38Å; V98-G162 PolarHBondContact O-N 3.45Å; G162-G164 VanDerWaalsContact C-N 3.35Å; G162-G164 PolarHBondContact O-N 3.4Å; G162-W165 PolarHBondContact O-N 3.44Å; G162-W165 VanDerWaalsContact O-N 3.12Å; G162-F166 VanDerWaalsContact C-CD2 3.47Å; G162-F166 WeakPolarHBondContact O-CD2 3.3Å; G162-F166 WeakPolarHBondContact O-CG 3.46Å; G162-F166 PolarHBondContact O-N 3.44Å; G162-F166 VanDerWaalsContact O-N 3.08Å
163G94.9Very high95.7Very high5 Ų516.5 Ų16.55%0.0529%0.09CC..Hα-helixtrans-49.9-48.7-179.100000114.2Y104 V160 A161 W165 F166 M167Y104-G163 WeakPolarHBondContact OH-CA 3.45Å; V160-G163 PolarHBondContact O-N 3.46Å; A161-G163 VanDerWaalsContact C-N 3.25Å; A161-G163 PolarHBondContact O-N 3.15Å; G163-W165 VanDerWaalsContact C-N 3.31Å; G163-W165 PolarHBondContact O-N 2.85Å; G163-F166 PolarHBondContact O-N 3.25Å; G163-M167 WeakPolarHBondContact O-CB 3.25Å; G163-M167 VanDerWaalsContact O-CG 3.25Å; G163-M167 WeakPolarHBondContact O-CG 3.25Å; G163-M167 PolarHBondContact O-N 2.99Å
164G96.3Very high95.8Very high5 Ų516.7 Ų16.75%0.0529%0.091CC..Hα-helixtrans-57.8-40.2-18000000113.8G162 T168G162-G164 VanDerWaalsContact C-N 3.35Å; G162-G164 PolarHBondContact O-N 3.4Å; G164-T168 WeakPolarHBondContact O-CB 3.39Å; G164-T168 PolarHBondContact O-N 3.1Å; G164-T168 PolarHBondContact O-OG1 3.39Å
165W97.6Very high95.9Very high44 Ų4415.4 Ų15.417%0.1679%0.088CC..Hα-helixtrans-67.9-49.4174.9-82.399.3000111.9M85 L89 L94 S97 G162 G163 M167 T168 M169 I212M85-W165 HydrophobicContact CE-CD2 3.89Å; M85-W165 HydrophobicContact CE-CG 3.72Å; M85-W165 HydrophobicContact CE-CZ2 4.43Å; M85-W165 VanDerWaalsContact CE-NE1 3.34Å; L89-W165 HydrophobicContact CD1-CZ2 4.36Å; L89-W165 HydrophobicContact CD2-CH2 4.07Å; L89-W165 HydrophobicContact CD2-CZ2 4.14Å; L94-W165 HydrophobicContact CD1-CZ2 4.13Å; S97-W165 PolarHBondContact OG-NE1 3.36Å; S97-W165 VanDerWaalsContact OG-NE1 3.12Å; G162-W165 PolarHBondContact O-N 3.44Å; G162-W165 VanDerWaalsContact O-N 3.12Å; G163-W165 VanDerWaalsContact C-N 3.31Å; G163-W165 PolarHBondContact O-N 2.85Å; W165-M167 PolarHBondContact O-N 3.14Å; W165-T168 PolarHBondContact O-N 2.84Å; W165-M169 HydrophobicContact CB-CE 4.19Å; W165-M169 HydrophobicContact CE3-CG 4.43Å; W165-M169 HydrophobicContact CE3-SD 4.38Å; W165-M169 WeakPolarHBondContact O-CB 3.34Å; W165-M169 WeakPolarHBondContact O-CE 3.29Å; W165-M169 VanDerWaalsContact O-CG 3.28Å; W165-M169 WeakPolarHBondContact O-CG 3.5Å; W165-M169 PolarHBondContact O-N 3.23Å; W165-I212 HydrophobicContact CB-CD1 4.01Å; W165-I212 HydrophobicContact CB-CG1 4.08Å; W165-I212 HydrophobicContact CB-CG2 4.34Å; W165-I212 HydrophobicContact CD2-CD1 3.91Å; W165-I212 HydrophobicContact CG-CD1 3.66Å; W165-I212 HydrophobicContact CG-CG1 4.26Å
166F97.3Very high96Very high12 Ų1217.4 Ų17.45%0.05310%0.1CC..Hα-helixtrans-59.7-45.8-179.2-63-48.8000112.2G162 G163 M169 N170 I212 N213 Y241G162-F166 VanDerWaalsContact C-CD2 3.47Å; G162-F166 WeakPolarHBondContact O-CD2 3.3Å; G162-F166 WeakPolarHBondContact O-CG 3.46Å; G162-F166 PolarHBondContact O-N 3.44Å; G162-F166 VanDerWaalsContact O-N 3.08Å; G163-F166 PolarHBondContact O-N 3.25Å; F166-M169 HydrophobicContact CD1-CE 4.4Å; F166-N170 VanDerWaalsContact O-CB 3.3Å; F166-N170 WeakPolarHBondContact O-CB 3.38Å; F166-N170 PolarHBondContact O-N 2.82Å; F166-N170 VanDerWaalsContact O-N 3.11Å; F166-I212 HydrophobicContact CE1-CB 3.95Å; F166-I212 HydrophobicContact CE1-CG2 3.88Å; F166-I212 HydrophobicContact CE2-CG2 4.13Å; F166-I212 HydrophobicContact CZ-CB 4.07Å; F166-I212 HydrophobicContact CZ-CG2 3.6Å; F166-N213 WeakPolarHBondContact CZ-OD1 3.21Å; F166-Y241 HydrophobicContact CD1-CE1 4.31Å; F166-Y241 AromaticContact CD1-CE2 3.52Å; F166-Y241 HydrophobicContact CD1-CE2 3.52Å; F166-Y241 AromaticContact CD1-CZ 3.39Å; F166-Y241 WeakPolarHBondContact CD1-OH 3.34Å; F166-Y241 HydrophobicContact CE1-CD2 4.15Å; F166-Y241 AromaticContact CE1-CE2 3.54Å; F166-Y241 HydrophobicContact CE1-CE2 3.54Å; F166-Y241 AromaticContact CE1-CZ 3.8Å; F166-Y241 HydrophobicContact CG-CE2 4.16Å; F166-Y241 HydrophobicContact CZ-CE2 4.23Å
167M97.9Very high96.1Very high12 Ų1218 Ų186%0.05910%0.103CC..Hα-helixtrans-67.9-47.6-179.9-63.7-178.5-166.100111.5F103 Y104 A113 F116 V117 Y156 G163 W165 M169 N170 Y171F103-M167 HydrophobicContact CD1-SD 4.43Å; F103-M167 HydrophobicContact CE1-CB 4.31Å; F103-M167 HydrophobicContact CE1-SD 3.69Å; F103-M167 HydrophobicContact CZ-CB 4.38Å; Y104-M167 HydrophobicContact CE1-CE 3.74Å; A113-M167 HydrophobicContact CB-SD 3.95Å; F116-M167 HydrophobicContact CB-SD 4.33Å; F116-M167 HydrophobicContact CD1-CB 4.24Å; F116-M167 HydrophobicContact CD1-CE 4.46Å; F116-M167 HydrophobicContact CD1-CG 3.56Å; F116-M167 HydrophobicContact CD1-SD 4.05Å; F116-M167 HydrophobicContact CD2-CB 4.18Å; F116-M167 HydrophobicContact CD2-CG 4.38Å; F116-M167 HydrophobicContact CE1-CB 4.39Å; F116-M167 HydrophobicContact CE1-CG 3.75Å; F116-M167 HydrophobicContact CE2-CB 4.31Å; F116-M167 HydrophobicContact CG-CB 4.13Å; F116-M167 HydrophobicContact CG-CG 3.9Å; F116-M167 HydrophobicContact CG-SD 4.29Å; F116-M167 HydrophobicContact CZ-CB 4.41Å; F116-M167 HydrophobicContact CZ-CG 4.23Å; V117-M167 HydrophobicContact CG2-CE 4.19Å; Y156-M167 HydrophobicContact CD2-CE 4.09Å; G163-M167 WeakPolarHBondContact O-CB 3.25Å; G163-M167 VanDerWaalsContact O-CG 3.25Å; G163-M167 WeakPolarHBondContact O-CG 3.25Å; G163-M167 PolarHBondContact O-N 2.99Å; W165-M167 PolarHBondContact O-N 3.14Å; M167-M169 PolarHBondContact O-N 3.47Å; M167-N170 PolarHBondContact O-N 3.27Å; M167-Y171 WeakPolarHBondContact O-CD2 3.32Å; M167-Y171 PolarHBondContact O-N 2.89Å
168T97.8Very high96.4Very high21 Ų2116.4 Ų16.413%0.12910%0.096CC..Hα-helixtrans-63.8-44.6-178.1-610000112.1T81 M85 G164 W165 N170 Y171 G172T81-T168 VanDerWaalsContact CB-OG1 3.26Å; T81-T168 WeakPolarHBondContact CB-OG1 3.39Å; T81-T168 WeakPolarHBondContact OG1-CB 3.29Å; T81-T168 PolarHBondContact OG1-OG1 3.18Å; M85-T168 HydrophobicContact CG-CG2 4.14Å; M85-T168 WeakPolarHBondContact CG-OG1 3.48Å; G164-T168 WeakPolarHBondContact O-CB 3.39Å; G164-T168 PolarHBondContact O-N 3.1Å; G164-T168 PolarHBondContact O-OG1 3.39Å; W165-T168 PolarHBondContact O-N 2.84Å; T168-N170 VanDerWaalsContact C-N 3.34Å; T168-N170 PolarHBondContact O-N 2.85Å; T168-Y171 PolarHBondContact O-N 3.37Å; T168-G172 PolarHBondContact O-N 3.42Å
169M97.9Very high96.8Very high32 Ų3217.1 Ų17.116%0.15810%0.103CC..Hα-helixtrans-63.5-41.6176.1-68.6-174.1-69.500111.4W165 F166 M167 G172 V173 Q205 M208 I212W165-M169 HydrophobicContact CB-CE 4.19Å; W165-M169 HydrophobicContact CE3-CG 4.43Å; W165-M169 HydrophobicContact CE3-SD 4.38Å; W165-M169 WeakPolarHBondContact O-CB 3.34Å; W165-M169 WeakPolarHBondContact O-CE 3.29Å; W165-M169 VanDerWaalsContact O-CG 3.28Å; W165-M169 WeakPolarHBondContact O-CG 3.5Å; W165-M169 PolarHBondContact O-N 3.23Å; F166-M169 HydrophobicContact CD1-CE 4.4Å; M167-M169 PolarHBondContact O-N 3.47Å; M169-G172 PolarHBondContact O-N 3.29Å; M169-V173 WeakPolarHBondContact O-CG2 3.47Å; M169-V173 PolarHBondContact O-N 2.94Å; M169-Q205 HydrophobicContact CB-CG 4.1Å; M169-M208 HydrophobicContact CE-CB 4.14Å; M169-M208 HydrophobicContact SD-CB 3.55Å; M169-M208 VanDerWaalsContact SD-CB 3.55Å; M169-M208 HydrophobicContact SD-CG 4.28Å; M169-I212 HydrophobicContact CE-CG1 4.42Å
170N98.2Very high96.9Very high6 Ų616.4 Ų16.43%0.03210%0.098CC..Hα-helixtrans-65.1-44.3178.4-175.9-102.2000111.8F116 K120 F166 M167 T168 G172 V173 H174F116-N170 HydrophobicContact CE2-CB 3.67Å; F116-N170 WeakPolarHBondContact CE2-OD1 3.41Å; F116-N170 HydrophobicContact CZ-CB 3.78Å; F116-N170 WeakPolarHBondContact CZ-OD1 3.32Å; K120-N170 PolarHBondContact NZ-OD1 3.38Å; F166-N170 VanDerWaalsContact O-CB 3.3Å; F166-N170 WeakPolarHBondContact O-CB 3.38Å; F166-N170 PolarHBondContact O-N 2.82Å; F166-N170 VanDerWaalsContact O-N 3.11Å; M167-N170 PolarHBondContact O-N 3.27Å; T168-N170 VanDerWaalsContact C-N 3.34Å; T168-N170 PolarHBondContact O-N 2.85Å; N170-G172 VanDerWaalsContact C-N 3.31Å; N170-G172 PolarHBondContact O-N 3.04Å; N170-V173 PolarHBondContact O-N 2.7Å; N170-H174 PolarHBondContact ND2-CD2 3.49Å; N170-H174 PolarHBondContact ND2-NE2 2.94Å; N170-H174 VanDerWaalsContact ND2-NE2 3.11Å; N170-H174 WeakPolarHBondContact O-CB 3.29Å; N170-H174 PolarHBondContact O-CD2 2.98Å; N170-H174 PolarHBondContact O-N 3.29Å
171Y98.3Very high97Very high2 Ų220.9 Ų20.91%0.00812%0.115CC..Hα-helixtrans-55.4-46.3172.7-86.4-53.3000111.7F73 T81 W112 F116 M167 T168 H174 A175F73-Y171 HydrophobicContact CD1-CE1 4.18Å; F73-Y171 AromaticContact CE1-CE1 3.57Å; F73-Y171 HydrophobicContact CE1-CE1 3.57Å; F73-Y171 AromaticContact CZ-CE1 3.8Å; F73-Y171 HydrophobicContact CZ-CE1 3.8Å; F73-Y171 WeakPolarHBondContact CZ-OH 3.33Å; T81-Y171 HydrophobicContact CG2-CD2 4.23Å; T81-Y171 HydrophobicContact CG2-CE2 4.16Å; W112-Y171 PolarHBondContact O-OH 2.88Å; F116-Y171 VanDerWaalsContact CA-OH 3.26Å; F116-Y171 WeakPolarHBondContact CA-OH 3.26Å; F116-Y171 HydrophobicContact CB-CE2 3.78Å; F116-Y171 WeakPolarHBondContact CB-OH 3.15Å; F116-Y171 HydrophobicContact CD2-CD1 4.28Å; F116-Y171 AromaticContact CD2-CD2 3.9Å; F116-Y171 HydrophobicContact CD2-CD2 3.9Å; F116-Y171 HydrophobicContact CD2-CE1 4.04Å; F116-Y171 AromaticContact CD2-CE2 3.6Å; F116-Y171 HydrophobicContact CD2-CE2 3.6Å; F116-Y171 HydrophobicContact CD2-CG 4.23Å; F116-Y171 AromaticContact CD2-CZ 3.7Å; F116-Y171 HydrophobicContact CG-CE2 4.12Å; F116-Y171 PolarHBondContact N-OH 3.41Å; F116-Y171 VanDerWaalsContact N-OH 3.13Å; M167-Y171 WeakPolarHBondContact O-CD2 3.32Å; M167-Y171 PolarHBondContact O-N 2.89Å; T168-Y171 PolarHBondContact O-N 3.37Å; Y171-H174 PolarHBondContact O-N 3.14Å; Y171-A175 VanDerWaalsContact O-CB 3.29Å; Y171-A175 WeakPolarHBondContact O-CB 3.2Å; Y171-A175 PolarHBondContact O-N 3.42Å
172G98.1Very high97.2Very high29 Ų2921.1 Ų21.130%0.29912%0.117SC..Hα-helixtrans-60.5-48.4178.500000112.9T168 M169 N170 A175 V176T168-G172 PolarHBondContact O-N 3.42Å; M169-G172 PolarHBondContact O-N 3.29Å; N170-G172 VanDerWaalsContact C-N 3.31Å; N170-G172 PolarHBondContact O-N 3.04Å; G172-A175 WeakPolarHBondContact O-CB 3.42Å; G172-A175 PolarHBondContact O-N 3.43Å; G172-V176 PolarHBondContact O-N 3.48Å
173V98Very high97.2Very high15 Ų1524.9 Ų24.99%0.09114%0.137CC..Hα-helixtrans-67.5-41.1178.5173.30000111.6M169 N170 A175 V176 M177 Q202 Q205M169-V173 WeakPolarHBondContact O-CG2 3.47Å; M169-V173 PolarHBondContact O-N 2.94Å; N170-V173 PolarHBondContact O-N 2.7Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 3.02Å; V173-V176 PolarHBondContact O-N 3.31Å; V173-M177 WeakPolarHBondContact O-CB 3.33Å; V173-M177 PolarHBondContact O-N 3.14Å; V173-Q202 HydrophobicContact CG1-CB 4.49Å; V173-Q202 HydrophobicContact CG1-CG 3.45Å; V173-Q202 VanDerWaalsContact CG1-CG 3.45Å; V173-Q205 HydrophobicContact CG2-CB 4.08Å; V173-Q205 HydrophobicContact CG2-CG 4.44Å
174H97.8Very high97.2Very high8 Ų830.6 Ų30.64%0.03716%0.156CC..Hα-helixtrans-66.1-35.5177.7-81.9-145.6000112E123 N170 Y171 V176 M177 Y178E123-H174 IonicContact OE1-ND1 2.6Å; E123-H174 IonicContact OE2-CE1 3.35Å; E123-H174 PolarHBondContact OE2-CE1 3.27Å; E123-H174 IonicContact OE2-ND1 2.89Å; N170-H174 PolarHBondContact ND2-CD2 3.49Å; N170-H174 PolarHBondContact ND2-NE2 2.94Å; N170-H174 VanDerWaalsContact ND2-NE2 3.11Å; N170-H174 WeakPolarHBondContact O-CB 3.29Å; N170-H174 PolarHBondContact O-CD2 2.98Å; N170-H174 PolarHBondContact O-N 3.29Å; Y171-H174 PolarHBondContact O-N 3.14Å; H174-V176 VanDerWaalsContact C-N 3.33Å; H174-V176 PolarHBondContact O-N 3.09Å; H174-M177 PolarHBondContact O-N 3.43Å; H174-Y178 HydrophobicContact CB-CD2 3.99Å; H174-Y178 HydrophobicContact CB-CE2 4.13Å; H174-Y178 AromaticContact ND1-CE2 3.57Å; H174-Y178 WeakPolarHBondContact O-CB 3.26Å; H174-Y178 WeakPolarHBondContact O-CD2 3.28Å; H174-Y178 PolarHBondContact O-N 3.26Å
175A98.1Very high97Very high11 Ų1130.9 Ų30.99%0.09116%0.159CC..Hα-helixtrans-56.4-47.6173.400000111.3I75 Y171 G172 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 3.2Å; Y171-A175 PolarHBondContact O-N 3.42Å; G172-A175 WeakPolarHBondContact O-CB 3.42Å; G172-A175 PolarHBondContact O-N 3.43Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 3.02Å; A175-S179 VanDerWaalsContact O-CB 3.22Å; A175-S179 WeakPolarHBondContact O-CB 3.38Å; A175-S179 PolarHBondContact O-N 3.41Å; A175-S179 PolarHBondContact O-OG 3.33Å
176V97.5Very high96.8Very high49 Ų4930.8 Ų30.830%0.29717%0.167SC..Hα-helixtrans-70.1-44.9178.4-174.60000111.1G172 V173 H174 Y180 F194 F197 I198G172-V176 PolarHBondContact O-N 3.48Å; V173-V176 PolarHBondContact O-N 3.31Å; H174-V176 VanDerWaalsContact C-N 3.33Å; H174-V176 PolarHBondContact O-N 3.09Å; V176-Y180 PolarHBondContact O-N 3.37Å; V176-F194 HydrophobicContact CG1-CE1 4.24Å; V176-F194 HydrophobicContact CG1-CZ 3.95Å; V176-F197 HydrophobicContact CG1-CE1 4.46Å; V176-I198 HydrophobicContact CG1-CD1 4.48Å; V176-I198 HydrophobicContact CG1-CG1 3.9Å
177M97.4Very high96.5Very high14 Ų1432.1 Ų32.17%0.06918%0.184CC..Hα-helixtrans-63.4-49.2-177.8-176.1-1707200112.4V173 H174 Y180 Y181 I198 Q202V173-M177 WeakPolarHBondContact O-CB 3.33Å; V173-M177 PolarHBondContact O-N 3.14Å; H174-M177 PolarHBondContact O-N 3.43Å; M177-Y180 WeakPolarHBondContact O-CB 3.14Å; M177-Y180 PolarHBondContact O-N 2.73Å; M177-Y181 HydrophobicContact CE-CE2 3.96Å; M177-Y181 HydrophobicContact CG-CD2 4.18Å; M177-Y181 HydrophobicContact CG-CE1 4.35Å; M177-Y181 HydrophobicContact CG-CE2 3.58Å; M177-Y181 PolarHBondContact O-N 2.76Å; M177-Y181 HydrophobicContact SD-CE2 3.81Å; M177-I198 HydrophobicContact CB-CG2 4.11Å; M177-I198 HydrophobicContact CG-CG2 4.22Å; M177-Q202 PolarHBondContact SD-NE2 3.42Å
178Y97.9Very high96.3Very high0 Ų037.8 Ų37.80%021%0.209CC..Hα-helixtrans-71.6-33.5-179.6-77.5-62.1000112.3L70 D126 H174 Y180 Y181 A182L70-Y178 HydrophobicContact CB-CD1 3.86Å; L70-Y178 HydrophobicContact CB-CD2 3.73Å; L70-Y178 HydrophobicContact CB-CE1 4.1Å; L70-Y178 HydrophobicContact CB-CE2 3.96Å; L70-Y178 HydrophobicContact CB-CG 3.69Å; L70-Y178 HydrophobicContact CD1-CD1 4.02Å; 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 4.42Å; D126-Y178 WeakPolarHBondContact OD2-CE1 3.35Å; D126-Y178 PolarHBondContact OD2-OH 3.42Å; H174-Y178 HydrophobicContact CB-CD2 3.99Å; H174-Y178 HydrophobicContact CB-CE2 4.13Å; H174-Y178 AromaticContact ND1-CE2 3.57Å; H174-Y178 WeakPolarHBondContact O-CB 3.26Å; H174-Y178 WeakPolarHBondContact O-CD2 3.28Å; H174-Y178 PolarHBondContact O-N 3.26Å; Y178-Y180 VanDerWaalsContact C-N 3.28Å; Y178-Y180 PolarHBondContact O-N 3.49Å; Y178-Y181 AromaticContact CD1-CD2 4Å; Y178-Y181 HydrophobicContact CD1-CD2 4Å; Y178-Y181 HydrophobicContact CE1-CD2 4.28Å; Y178-Y181 PolarHBondContact O-N 3.42Å; Y178-A182 WeakPolarHBondContact O-CB 3.48Å; Y178-A182 PolarHBondContact O-N 3.02Å
179S97.3Very high95.8Very high39 Ų3948.6 Ų48.627%0.27325%0.247SC..Hα-helixtrans-58.7-43.4170.7-63.90000111A175 A182 L183A175-S179 VanDerWaalsContact O-CB 3.22Å; A175-S179 WeakPolarHBondContact O-CB 3.38Å; A175-S179 PolarHBondContact O-N 3.41Å; A175-S179 PolarHBondContact O-OG 3.33Å; S179-A182 PolarHBondContact O-N 3.15Å; S179-L183 VanDerWaalsContact O-CG 3.3Å; S179-L183 WeakPolarHBondContact O-CG 3.49Å; S179-L183 PolarHBondContact O-N 3.22Å
180Y96.5Very high95.4Very high33 Ų3348.5 Ų48.513%0.12925%0.248CC..Hα-helixtrans-61.5-45173.5172.5-101.7000112.6V176 M177 Y178 L183 R184 V190 F194 A195 I198V176-Y180 PolarHBondContact O-N 3.37Å; M177-Y180 WeakPolarHBondContact O-CB 3.14Å; M177-Y180 PolarHBondContact O-N 2.73Å; Y178-Y180 VanDerWaalsContact C-N 3.28Å; Y178-Y180 PolarHBondContact O-N 3.49Å; Y180-L183 PolarHBondContact O-N 2.66Å; Y180-R184 HydrophobicContact CD1-CG 4.27Å; Y180-R184 HydrophobicContact CD2-CG 4.11Å; Y180-R184 HydrophobicContact CE1-CG 3.88Å; Y180-R184 HydrophobicContact CE2-CG 3.74Å; Y180-R184 HydrophobicContact CG-CG 4.37Å; Y180-R184 WeakPolarHBondContact O-CB 3.4Å; Y180-R184 VanDerWaalsContact O-CG 3.23Å; Y180-R184 WeakPolarHBondContact O-CG 3.48Å; Y180-R184 PolarHBondContact O-N 2.89Å; Y180-V190 HydrophobicContact CD2-CB 3.99Å; Y180-V190 HydrophobicContact CD2-CG1 3.68Å; Y180-V190 HydrophobicContact CD2-CG2 4.29Å; Y180-V190 HydrophobicContact CE2-CB 3.65Å; Y180-V190 HydrophobicContact CE2-CG1 3.61Å; Y180-V190 HydrophobicContact CE2-CG2 4.34Å; Y180-F194 AromaticContact CD2-CD1 3.58Å; Y180-F194 HydrophobicContact CD2-CD1 3.58Å; Y180-F194 HydrophobicContact CD2-CE1 4.07Å; Y180-F194 HydrophobicContact CE2-CD1 4.25Å; Y180-F194 HydrophobicContact CG-CD1 4.3Å; Y180-F194 HydrophobicContact CG-CE1 4.46Å; Y180-A195 HydrophobicContact CE2-CB 4.33Å; Y180-I198 HydrophobicContact CD1-CD1 3.79Å; Y180-I198 HydrophobicContact CD2-CD1 3.91Å; Y180-I198 HydrophobicContact CG-CD1 3.42Å; Y180-I198 VanDerWaalsContact CG-CD1 3.42Å
181Y94.8Very high95Very high96 Ų9651.3 Ų51.338%0.37627%0.269SS..Hα-helixtrans-64.3-40.5177.9-66.3-19.3000112.7M177 Y178 R184 A185M177-Y181 HydrophobicContact CE-CE2 3.96Å; M177-Y181 HydrophobicContact CG-CD2 4.18Å; M177-Y181 HydrophobicContact CG-CE1 4.35Å; M177-Y181 HydrophobicContact CG-CE2 3.58Å; M177-Y181 PolarHBondContact O-N 2.76Å; M177-Y181 HydrophobicContact SD-CE2 3.81Å; Y178-Y181 AromaticContact CD1-CD2 4Å; Y178-Y181 HydrophobicContact CD1-CD2 4Å; Y178-Y181 HydrophobicContact CE1-CD2 4.28Å; Y178-Y181 PolarHBondContact O-N 3.42Å; Y181-R184 PolarHBondContact O-N 3.31Å; Y181-A185 VanDerWaalsContact O-CB 3.23Å; Y181-A185 WeakPolarHBondContact O-CB 3.12Å; Y181-A185 PolarHBondContact O-N 3.32Å
182A96.3Very high94.5Very high9 Ų957.4 Ų57.47%0.07429%0.292CS..Hα-helixtrans-60.6-48.3175.100000111.2L68 Y178 S179 R184 A185 A186L68-A182 HydrophobicContact CB-CB 4.27Å; Y178-A182 WeakPolarHBondContact O-CB 3.48Å; Y178-A182 PolarHBondContact O-N 3.02Å; S179-A182 PolarHBondContact O-N 3.15Å; A182-R184 PolarHBondContact O-N 2.93Å; A182-A185 PolarHBondContact O-N 3.42Å; A182-A186 WeakPolarHBondContact O-CB 3.36Å; A182-A186 PolarHBondContact O-N 3.17Å
183L95.9Very high94.1Very high81 Ų8164.6 Ų64.642%0.42431%0.314SS..Hα-helixtrans-61.7-44.9177.2-70.9172.9000112.2S179 Y180 A186 G187 F188 V190S179-L183 VanDerWaalsContact O-CG 3.3Å; S179-L183 WeakPolarHBondContact O-CG 3.49Å; S179-L183 PolarHBondContact O-N 3.22Å; Y180-L183 PolarHBondContact O-N 2.66Å; L183-A186 PolarHBondContact O-N 3.03Å; L183-G187 PolarHBondContact O-N 2.86Å; L183-F188 HydrophobicContact CB-CB 4.47Å; L183-F188 HydrophobicContact CD2-CD2 4Å; L183-F188 HydrophobicContact CD2-CE2 4.46Å; L183-F188 WeakPolarHBondContact O-CB 3.44Å; L183-F188 PolarHBondContact O-N 2.88Å; L183-V190 HydrophobicContact CB-CG2 3.96Å
184R93.4Very high93.8Very high124 Ų12467.7 Ų67.747%0.46833%0.327SS..Hα-helixtrans-64-41.6177.4-72.9-68.5-60.8-171.22111.8Y180 Y181 A182 A186 G187 V190Y180-R184 HydrophobicContact CD1-CG 4.27Å; Y180-R184 HydrophobicContact CD2-CG 4.11Å; Y180-R184 HydrophobicContact CE1-CG 3.88Å; Y180-R184 HydrophobicContact CE2-CG 3.74Å; Y180-R184 HydrophobicContact CG-CG 4.37Å; Y180-R184 WeakPolarHBondContact O-CB 3.4Å; Y180-R184 VanDerWaalsContact O-CG 3.23Å; Y180-R184 WeakPolarHBondContact O-CG 3.48Å; Y180-R184 PolarHBondContact O-N 2.89Å; Y181-R184 PolarHBondContact O-N 3.31Å; A182-R184 PolarHBondContact O-N 2.93Å; R184-A186 VanDerWaalsContact C-N 3.33Å; R184-G187 PolarHBondContact O-N 3.41Å; R184-V190 HydrophobicContact CG-CB 4.45Å; R184-V190 HydrophobicContact CG-CG2 4.2Å; R184-V190 PolarHBondContact NH1-O 3.04Å
185A92.9Very high93.5Very high12 Ų1268 Ų6810%0.09933%0.33CS..Hα-helixtrans-67.9-33.5176.500000111.6R60 L63 V64 Y181 A182 G187R60-A185 WeakPolarHBondContact CD-O 3.11Å; R60-A185 WeakPolarHBondContact CG-O 3.5Å; R60-A185 PolarHBondContact NE-O 2.71Å; L63-A185 HydrophobicContact CD2-CB 4.01Å; L63-A185 HydrophobicContact CG-CB 3.93Å; V64-A185 HydrophobicContact CB-CB 4.43Å; V64-A185 HydrophobicContact CG2-CB 3.49Å; V64-A185 VanDerWaalsContact CG2-CB 3.49Å; V64-A185 WeakPolarHBondContact CG2-O 3.4Å; Y181-A185 VanDerWaalsContact O-CB 3.23Å; Y181-A185 WeakPolarHBondContact O-CB 3.12Å; Y181-A185 PolarHBondContact O-N 3.32Å; A182-A185 PolarHBondContact O-N 3.42Å; A185-G187 PolarHBondContact O-N 3.19Å
186A93.9Very high93.3Very high42 Ų4270.1 Ų70.135%0.34734%0.339SS..Hα-helixtrans-69.8-17.3175.800000112.3R60 V64 A182 L183 R184 F188R60-A186 VanDerWaalsContact NH2-C 3.3Å; R60-A186 PolarHBondContact NH2-O 3.11Å; V64-A186 HydrophobicContact CG1-CB 4.4Å; V64-A186 HydrophobicContact CG2-CB 4.14Å; V64-A186 VanDerWaalsContact CG2-N 3.31Å; A182-A186 WeakPolarHBondContact O-CB 3.36Å; A182-A186 PolarHBondContact O-N 3.17Å; L183-A186 PolarHBondContact O-N 3.03Å; R184-A186 VanDerWaalsContact C-N 3.33Å; A186-F188 HydrophobicContact CB-CD2 3.83Å; A186-F188 HydrophobicContact CB-CE2 3.92Å
187G91.4Very high93.2Very high39 Ų3973.2 Ų73.240%0.40235%0.349SS..THydrogen-bonded Turntrans107.72.1175.700000114.7L183 R184 A185 R189L183-G187 PolarHBondContact O-N 2.86Å; R184-G187 PolarHBondContact O-N 3.41Å; A185-G187 PolarHBondContact O-N 3.19Å; G187-R189 PolarHBondContact O-N 3.08Å
188F92.1Very high93.1Very high132 Ų13272.9 Ų72.958%0.57935%0.348SS*.  trans-68.8133176.8-65.7-80.5000110.1L183 A186 V190L183-F188 HydrophobicContact CB-CB 4.47Å; L183-F188 HydrophobicContact CD2-CD2 4Å; L183-F188 HydrophobicContact CD2-CE2 4.46Å; L183-F188 WeakPolarHBondContact O-CB 3.44Å; L183-F188 PolarHBondContact O-N 2.88Å; A186-F188 HydrophobicContact CB-CD2 3.83Å; A186-F188 HydrophobicContact CB-CE2 3.92Å; F188-V190 PolarHBondContact O-N 2.73Å
189R87.9Confident93Very high247 Ų24773.1 Ų73.193%0.93235%0.349SS*.  trans-79.585.1174.9-68.3-175.9-178.9179.21.2109.4G187G187-R189 PolarHBondContact O-N 3.08Å
190V90.1Very high93Very high30 Ų3074.9 Ų74.918%0.18236%0.355CS..  trans-77.9140.5174.1-168.30000110.5Y180 L183 R184 F188 F194Y180-V190 HydrophobicContact CD2-CB 3.99Å; Y180-V190 HydrophobicContact CD2-CG1 3.68Å; Y180-V190 HydrophobicContact CD2-CG2 4.29Å; Y180-V190 HydrophobicContact CE2-CB 3.65Å; Y180-V190 HydrophobicContact CE2-CG1 3.61Å; Y180-V190 HydrophobicContact CE2-CG2 4.34Å; L183-V190 HydrophobicContact CB-CG2 3.96Å; R184-V190 HydrophobicContact CG-CB 4.45Å; R184-V190 HydrophobicContact CG-CG2 4.2Å; R184-V190 PolarHBondContact NH1-O 3.04Å; F188-V190 PolarHBondContact O-N 2.73Å; V190-F194 HydrophobicContact CG1-CB 3.9Å; V190-F194 HydrophobicContact CG1-CD1 3.92Å; V190-F194 HydrophobicContact CG1-CG 4.09Å
191S89.3Confident93Very high66 Ų6674.6 Ų74.646%0.46236%0.358SS..  trans-66.5149.6-174.577.80000112.9K193 F194 A195S191-K193 PolarHBondContact O-N 3.49Å; S191-F194 WeakPolarHBondContact O-CB 3.48Å; S191-F194 PolarHBondContact O-N 3.36Å; S191-F194 VanDerWaalsContact O-N 3.17Å; S191-F194 PolarHBondContact OG-N 3.11Å; S191-A195 PolarHBondContact O-N 2.9Å
192R87.5Confident93.1Very high130 Ų13071 Ų7149%0.49134%0.344SS..Hα-helixtrans-62.8-29.9175.1-173.3176.9-179.4-166.4-2.8112.5F194 A195 M196 A255 Y256R192-F194 VanDerWaalsContact C-N 3.28Å; R192-F194 PolarHBondContact O-N 3.38Å; R192-A195 PolarHBondContact O-N 3.16Å; R192-M196 PolarHBondContact O-N 2.97Å; R192-A255 PolarHBondContact NH2-O 3.49Å; R192-Y256 HydrophobicContact CG-CE1 4.2Å
193K89.7Confident93.2Very high179 Ų17971.4 Ų71.478%0.77835%0.345SS*.Hα-helixtrans-61.8-37.9175.8-64.5-175180-178.10111.3S191 M196 F197S191-K193 PolarHBondContact O-N 3.49Å; K193-M196 WeakPolarHBondContact O-CB 3.41Å; K193-M196 PolarHBondContact O-N 3.46Å; K193-F197 PolarHBondContact O-N 3.43Å
194F92.8Very high93.3Very high80 Ų8071.4 Ų71.435%0.35135%0.348SS..Hα-helixtrans-68.3-40.9176.5-162.4-98.2000112.3V176 Y180 V190 S191 R192 M196 F197 I198V176-F194 HydrophobicContact CG1-CE1 4.24Å; V176-F194 HydrophobicContact CG1-CZ 3.95Å; Y180-F194 AromaticContact CD2-CD1 3.58Å; Y180-F194 HydrophobicContact CD2-CD1 3.58Å; Y180-F194 HydrophobicContact CD2-CE1 4.07Å; Y180-F194 HydrophobicContact CE2-CD1 4.25Å; Y180-F194 HydrophobicContact CG-CD1 4.3Å; Y180-F194 HydrophobicContact CG-CE1 4.46Å; V190-F194 HydrophobicContact CG1-CB 3.9Å; V190-F194 HydrophobicContact CG1-CD1 3.92Å; V190-F194 HydrophobicContact CG1-CG 4.09Å; S191-F194 WeakPolarHBondContact O-CB 3.48Å; S191-F194 PolarHBondContact O-N 3.36Å; S191-F194 VanDerWaalsContact O-N 3.17Å; S191-F194 PolarHBondContact OG-N 3.11Å; R192-F194 VanDerWaalsContact C-N 3.28Å; R192-F194 PolarHBondContact O-N 3.38Å; F194-M196 VanDerWaalsContact C-N 3.28Å; F194-M196 PolarHBondContact O-N 3Å; F194-F197 WeakPolarHBondContact O-CB 3.46Å; F194-F197 PolarHBondContact O-N 2.67Å; F194-I198 HydrophobicContact CD1-CD1 3.75Å; F194-I198 HydrophobicContact CD1-CG1 4.33Å; F194-I198 HydrophobicContact CE1-CD1 3.75Å; F194-I198 HydrophobicContact CE1-CG1 4.23Å; F194-I198 WeakPolarHBondContact O-CG1 3.38Å; F194-I198 PolarHBondContact O-N 3.44Å
195A91.4Very high93.5Very high14 Ų1466 Ų6612%0.11633%0.328CS..Hα-helixtrans-61.1-38.3173.300000112.2Y180 S191 R192 I198 T199 Y256Y180-A195 HydrophobicContact CE2-CB 4.33Å; S191-A195 PolarHBondContact O-N 2.9Å; R192-A195 PolarHBondContact O-N 3.16Å; A195-I198 PolarHBondContact O-N 2.88Å; A195-T199 PolarHBondContact O-N 3.25Å; A195-T199 VanDerWaalsContact O-N 3.09Å; A195-T199 PolarHBondContact O-OG1 3.27Å; A195-Y256 PolarHBondContact O-OH 3.11Å; A195-Y256 VanDerWaalsContact O-OH 3.1Å
196M93.5Very high93.7Very high56 Ų5665.5 Ų65.528%0.27632%0.324SS..Hα-helixtrans-63.8-45.4174-173-172.8-69.400111.5R192 K193 F194 I198 T199 L200 F252 Y256R192-M196 PolarHBondContact O-N 2.97Å; K193-M196 WeakPolarHBondContact O-CB 3.41Å; K193-M196 PolarHBondContact O-N 3.46Å; F194-M196 VanDerWaalsContact C-N 3.28Å; F194-M196 PolarHBondContact O-N 3Å; M196-I198 VanDerWaalsContact C-N 3.33Å; M196-I198 PolarHBondContact O-N 3.37Å; M196-T199 PolarHBondContact O-N 2.9Å; M196-T199 VanDerWaalsContact O-N 3.12Å; M196-L200 HydrophobicContact CG-CD1 4.34Å; M196-L200 WeakPolarHBondContact O-CG 3.16Å; M196-L200 PolarHBondContact O-N 3.12Å; M196-F252 HydrophobicContact CG-CE2 3.61Å; M196-F252 HydrophobicContact CG-CZ 4.03Å; M196-F252 HydrophobicContact SD-CZ 4.39Å; M196-Y256 HydrophobicContact CB-CD1 4.08Å; M196-Y256 HydrophobicContact CB-CE1 3.77Å; M196-Y256 HydrophobicContact CE-CD1 3.57Å; M196-Y256 HydrophobicContact CE-CE1 4.37Å; M196-Y256 HydrophobicContact CE-CG 3.92Å; M196-Y256 HydrophobicContact CG-CD1 4.18Å; M196-Y256 HydrophobicContact CG-CD2 4.49Å; M196-Y256 HydrophobicContact CG-CE1 4.31Å; M196-Y256 HydrophobicContact CG-CG 4.28Å; M196-Y256 PolarHBondContact N-OH 3.41Å
197F95.4Very high93.9Very high115 Ų11568.5 Ų68.550%0.50433%0.332SS..Hα-helixtrans-57.2-44.3175.4173.4-100.3000112.3V176 K193 F194 T199 L200 S201V176-F197 HydrophobicContact CG1-CE1 4.46Å; K193-F197 PolarHBondContact O-N 3.43Å; F194-F197 WeakPolarHBondContact O-CB 3.46Å; F194-F197 PolarHBondContact O-N 2.67Å; F197-T199 VanDerWaalsContact C-N 3.33Å; F197-T199 PolarHBondContact O-N 3.42Å; F197-L200 PolarHBondContact O-N 3.28Å; F197-S201 PolarHBondContact O-N 3.41Å
198I95.9Very high94.1Very high7 Ų770.2 Ų70.24%0.03633%0.331CS..Hα-helixtrans-58.8-47.3174.8-66.9164.4000110.5V176 M177 Y180 F194 A195 M196 L200 S201 Q202V176-I198 HydrophobicContact CG1-CD1 4.48Å; V176-I198 HydrophobicContact CG1-CG1 3.9Å; M177-I198 HydrophobicContact CB-CG2 4.11Å; M177-I198 HydrophobicContact CG-CG2 4.22Å; Y180-I198 HydrophobicContact CD1-CD1 3.79Å; Y180-I198 HydrophobicContact CD2-CD1 3.91Å; Y180-I198 HydrophobicContact CG-CD1 3.42Å; Y180-I198 VanDerWaalsContact CG-CD1 3.42Å; F194-I198 HydrophobicContact CD1-CD1 3.75Å; F194-I198 HydrophobicContact CD1-CG1 4.33Å; F194-I198 HydrophobicContact CE1-CD1 3.75Å; F194-I198 HydrophobicContact CE1-CG1 4.23Å; F194-I198 WeakPolarHBondContact O-CG1 3.38Å; F194-I198 PolarHBondContact O-N 3.44Å; A195-I198 PolarHBondContact O-N 2.88Å; M196-I198 VanDerWaalsContact C-N 3.33Å; M196-I198 PolarHBondContact O-N 3.37Å; I198-L200 VanDerWaalsContact C-N 3.29Å; I198-L200 PolarHBondContact O-N 2.91Å; I198-S201 PolarHBondContact O-N 3.08Å; I198-S201 VanDerWaalsContact O-N 3.16Å; I198-S201 PolarHBondContact O-OG 3.4Å; I198-Q202 WeakPolarHBondContact O-CG 3.35Å; I198-Q202 PolarHBondContact O-N 3.04Å
199T95.3Very high94.4Very high5 Ų563.9 Ų63.93%0.03130%0.303CS..Hα-helixtrans-62.7-38.9-179.6-45.30000111.3A195 M196 F197 Q202 I203 F251 F252 Y256A195-T199 PolarHBondContact O-N 3.25Å; A195-T199 VanDerWaalsContact O-N 3.09Å; A195-T199 PolarHBondContact O-OG1 3.27Å; M196-T199 PolarHBondContact O-N 2.9Å; M196-T199 VanDerWaalsContact O-N 3.12Å; F197-T199 VanDerWaalsContact C-N 3.33Å; F197-T199 PolarHBondContact O-N 3.42Å; T199-Q202 PolarHBondContact O-N 3.3Å; T199-I203 WeakPolarHBondContact O-CG1 3.44Å; T199-I203 PolarHBondContact O-N 3.15Å; T199-I203 VanDerWaalsContact O-N 3.07Å; T199-F251 HydrophobicContact CG2-CD1 3.8Å; T199-F251 HydrophobicContact CG2-CE1 3.95Å; T199-F252 HydrophobicContact CG2-CB 4.2Å; T199-F252 HydrophobicContact CG2-CD2 3.84Å; T199-Y256 HydrophobicContact CG2-CE2 4.18Å; T199-Y256 WeakPolarHBondContact OG1-CE2 3.33Å; T199-Y256 PolarHBondContact OG1-OH 3.31Å; T199-Y256 VanDerWaalsContact OG1-OH 3.14Å
200L96.3Very high94.8Very high76 Ų7654 Ų5440%0.39827%0.271SS..Hα-helixtrans-64.7-43.2174.4-71171.8000111.8M196 F197 I198 Q202 I203 T204 F252M196-L200 HydrophobicContact CG-CD1 4.34Å; M196-L200 WeakPolarHBondContact O-CG 3.16Å; M196-L200 PolarHBondContact O-N 3.12Å; F197-L200 PolarHBondContact O-N 3.28Å; I198-L200 VanDerWaalsContact C-N 3.29Å; I198-L200 PolarHBondContact O-N 2.91Å; L200-Q202 VanDerWaalsContact C-N 3.28Å; L200-Q202 PolarHBondContact O-N 3.39Å; L200-I203 PolarHBondContact O-N 3.07Å; L200-I203 VanDerWaalsContact O-N 3.15Å; L200-T204 PolarHBondContact O-N 3.21Å; L200-T204 PolarHBondContact O-OG1 3.43Å; L200-T204 VanDerWaalsContact O-OG1 3.14Å; L200-F252 HydrophobicContact CD1-CE2 4.41Å; L200-F252 HydrophobicContact CD2-CD2 4.19Å; L200-F252 HydrophobicContact CD2-CE2 3.57Å; L200-F252 HydrophobicContact CD2-CZ 3.77Å; L200-F252 HydrophobicContact CG-CD2 4.48Å; L200-F252 HydrophobicContact CG-CE2 3.73Å; L200-F252 HydrophobicContact CG-CZ 4.25Å
201S97.4Very high95.2Very high26 Ų2655.9 Ų55.918%0.18228%0.283CS..Hα-helixtrans-60.4-37.317672.80000112.6F197 I198 T204 Q205F197-S201 PolarHBondContact O-N 3.41Å; I198-S201 PolarHBondContact O-N 3.08Å; I198-S201 VanDerWaalsContact O-N 3.16Å; I198-S201 PolarHBondContact O-OG 3.4Å; S201-T204 PolarHBondContact O-N 2.88Å; S201-Q205 WeakPolarHBondContact O-CB 3.38Å; S201-Q205 PolarHBondContact O-N 3.07Å
202Q97.4Very high95.6Very high21 Ų2152.9 Ų52.910%0.09826%0.261CS..Hα-helixtrans-65.1-43.5173.7-72.7171.5-3500111.8V173 M177 I198 T199 L200 Q205 M206 F248V173-Q202 HydrophobicContact CG1-CB 4.49Å; V173-Q202 HydrophobicContact CG1-CG 3.45Å; V173-Q202 VanDerWaalsContact CG1-CG 3.45Å; M177-Q202 PolarHBondContact SD-NE2 3.42Å; I198-Q202 WeakPolarHBondContact O-CG 3.35Å; I198-Q202 PolarHBondContact O-N 3.04Å; T199-Q202 PolarHBondContact O-N 3.3Å; L200-Q202 VanDerWaalsContact C-N 3.28Å; L200-Q202 PolarHBondContact O-N 3.39Å; Q202-Q205 WeakPolarHBondContact O-CB 3.5Å; Q202-Q205 PolarHBondContact O-N 3.46Å; Q202-M206 WeakPolarHBondContact O-CG 3.35Å; Q202-M206 PolarHBondContact O-N 3.37Å; Q202-M206 VanDerWaalsContact O-N 3.07Å; Q202-F248 HydrophobicContact CB-CD1 4.05Å; Q202-F248 HydrophobicContact CB-CE1 3.91Å; Q202-F248 HydrophobicContact CB-CZ 4.28Å; Q202-F248 HydrophobicContact CG-CE1 4.25Å
203I97.4Very high96Very high17 Ų1747 Ų479%0.08724%0.239CC..Hα-helixtrans-61.3-47.4175.1-69.3166.9000110.5T199 L200 Q205 M206 M207 L245 F248 F252T199-I203 WeakPolarHBondContact O-CG1 3.44Å; T199-I203 PolarHBondContact O-N 3.15Å; T199-I203 VanDerWaalsContact O-N 3.07Å; L200-I203 PolarHBondContact O-N 3.07Å; L200-I203 VanDerWaalsContact O-N 3.15Å; I203-Q205 VanDerWaalsContact C-N 3.3Å; I203-Q205 PolarHBondContact O-N 3.49Å; I203-M206 PolarHBondContact O-N 3.12Å; I203-M207 HydrophobicContact CG2-SD 4.3Å; I203-M207 WeakPolarHBondContact O-CG 3.27Å; I203-M207 PolarHBondContact O-N 3.14Å; I203-L245 HydrophobicContact CG2-CD1 3.94Å; I203-F248 HydrophobicContact CG1-CB 3.77Å; I203-F252 HydrophobicContact CD1-CB 3.85Å; I203-F252 HydrophobicContact CD1-CD2 4.23Å; I203-F252 HydrophobicContact CD1-CG 4.1Å
204T97.6Very high96.3Very high81 Ų8145.4 Ų45.450%0.49723%0.23SC..Hα-helixtrans-59.8-40.7177-58.40000111.5L200 S201 M206 M207 M208L200-T204 PolarHBondContact O-N 3.21Å; L200-T204 PolarHBondContact O-OG1 3.43Å; L200-T204 VanDerWaalsContact O-OG1 3.14Å; S201-T204 PolarHBondContact O-N 2.88Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 3.15Å; T204-M207 PolarHBondContact O-N 2.88Å; T204-M208 HydrophobicContact CG2-CG 4.33Å; T204-M208 WeakPolarHBondContact O-CB 3.13Å; T204-M208 WeakPolarHBondContact O-CG 3.45Å; T204-M208 PolarHBondContact O-N 3.07Å
205Q97.8Very high96.4Very high11 Ų1142.9 Ų42.95%0.05122%0.22CC..Hα-helixtrans-57.5-43173-178.2-157.1-55.200111.5M169 V173 S201 Q202 I203 G209M169-Q205 HydrophobicContact CB-CG 4.1Å; V173-Q205 HydrophobicContact CG2-CB 4.08Å; V173-Q205 HydrophobicContact CG2-CG 4.44Å; S201-Q205 WeakPolarHBondContact O-CB 3.38Å; S201-Q205 PolarHBondContact O-N 3.07Å; Q202-Q205 WeakPolarHBondContact O-CB 3.5Å; Q202-Q205 PolarHBondContact O-N 3.46Å; I203-Q205 VanDerWaalsContact C-N 3.3Å; I203-Q205 PolarHBondContact O-N 3.49Å; Q205-G209 PolarHBondContact O-N 3.22Å
206M97.5Very high96.5Very high2 Ų242.3 Ų42.31%0.0122%0.215CC..Hα-helixtrans-67.9-40.5179.4-56.5-47.3144.900112.3Q202 I203 T204 G209 C210 Y241 Y244 L245 F248Q202-M206 WeakPolarHBondContact O-CG 3.35Å; Q202-M206 PolarHBondContact O-N 3.37Å; Q202-M206 VanDerWaalsContact O-N 3.07Å; I203-M206 PolarHBondContact O-N 3.12Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 3.15Å; M206-G209 PolarHBondContact O-N 3.22Å; M206-C210 PolarHBondContact O-N 2.91Å; M206-C210 PolarHBondContact O-SG 3.11Å; M206-Y241 HydrophobicContact SD-CD1 3.72Å; M206-Y241 HydrophobicContact SD-CE1 3.9Å; M206-Y244 HydrophobicContact CE-CD2 4.28Å; M206-Y244 HydrophobicContact SD-CD2 3.7Å; M206-Y244 HydrophobicContact SD-CG 4.19Å; M206-L245 HydrophobicContact CB-CB 3.86Å; M206-L245 HydrophobicContact CB-CD1 4.16Å; M206-F248 HydrophobicContact CE-CD2 4.44Å; M206-F248 HydrophobicContact CE-CE2 4.12Å; M206-F248 HydrophobicContact CG-CD2 4.33Å
207M97.6Very high96.5Very high105 Ų10542.7 Ų42.752%0.51722%0.215SC..Hα-helixtrans-61.2-49174.8-67.5-178.965.900111.7I203 T204 G209 C210 V211 L245I203-M207 HydrophobicContact CG2-SD 4.3Å; I203-M207 WeakPolarHBondContact O-CG 3.27Å; I203-M207 PolarHBondContact O-N 3.14Å; T204-M207 PolarHBondContact O-N 2.88Å; M207-G209 PolarHBondContact O-N 3.18Å; M207-C210 WeakPolarHBondContact O-CB 3.33Å; M207-C210 PolarHBondContact O-N 3.23Å; M207-V211 WeakPolarHBondContact O-CG2 3.29Å; M207-V211 PolarHBondContact O-N 2.89Å; M207-V211 VanDerWaalsContact O-N 3.07Å; M207-L245 HydrophobicContact CG-CD1 3.59Å; M207-L245 HydrophobicContact CG-CD2 4.17Å
208M97.3Very high96.4Very high74 Ų7439.4 Ų39.437%0.36520%0.203SC..Hα-helixtrans-60.3-37.7175.5-71.3-60-63.200111.1M169 T204 C210 V211 I212M169-M208 HydrophobicContact CE-CB 4.14Å; M169-M208 HydrophobicContact SD-CB 3.55Å; M169-M208 VanDerWaalsContact SD-CB 3.55Å; M169-M208 HydrophobicContact SD-CG 4.28Å; T204-M208 HydrophobicContact CG2-CG 4.33Å; T204-M208 WeakPolarHBondContact O-CB 3.13Å; T204-M208 WeakPolarHBondContact O-CG 3.45Å; T204-M208 PolarHBondContact O-N 3.07Å; M208-C210 PolarHBondContact O-N 3Å; M208-V211 PolarHBondContact O-N 3.41Å; M208-I212 VanDerWaalsContact O-CG1 3.31Å; M208-I212 WeakPolarHBondContact O-CG1 3.46Å; M208-I212 PolarHBondContact O-N 3.28Å
209G97.1Very high96.2Very high0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-61.1-42.1175.200000113.4Q205 M206 M207 I212 N213Q205-G209 PolarHBondContact O-N 3.22Å; M206-G209 PolarHBondContact O-N 3.22Å; M207-G209 PolarHBondContact O-N 3.18Å; G209-I212 PolarHBondContact O-N 3.24Å; G209-N213 PolarHBondContact O-N 2.9Å; G209-N213 PolarHBondContact O-ND2 2.9Å
210C97.7Very high95.9Very high38 Ų3843.1 Ų43.126%0.25722%0.219SC..Hα-helixtrans-62-41.3172.6-66.10000112.2M206 M207 M208 N213 Y214M206-C210 PolarHBondContact O-N 2.91Å; M206-C210 PolarHBondContact O-SG 3.11Å; M207-C210 WeakPolarHBondContact O-CB 3.33Å; M207-C210 PolarHBondContact O-N 3.23Å; M208-C210 PolarHBondContact O-N 3Å; C210-N213 PolarHBondContact O-N 2.78Å; C210-Y214 PolarHBondContact O-N 2.79Å
211V97.7Very high95.4Very high71 Ų7145.4 Ų45.443%0.4323%0.227SC..Hα-helixtrans-63-46.6176.7173.60000111M207 M208 N213 Y214 L215M207-V211 WeakPolarHBondContact O-CG2 3.29Å; M207-V211 PolarHBondContact O-N 2.89Å; M207-V211 VanDerWaalsContact O-N 3.07Å; M208-V211 PolarHBondContact O-N 3.41Å; V211-N213 VanDerWaalsContact C-N 3.34Å; V211-N213 PolarHBondContact O-N 3.39Å; V211-Y214 PolarHBondContact O-N 2.93Å; V211-L215 HydrophobicContact CG1-CD1 4.04Å; V211-L215 HydrophobicContact CG1-CG 4.33Å; V211-L215 VanDerWaalsContact O-CG 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.34Å; V211-L215 PolarHBondContact O-N 3.19Å
212I97.1Very high94.5Very high3 Ų350.4 Ų50.42%0.01525%0.247CC..Hα-helixtrans-60.7-43.8177.8-65-67000110.9V98 W165 F166 M169 M208 G209 Y214 L215 V216V98-I212 HydrophobicContact CG1-CG2 4.27Å; V98-I212 HydrophobicContact CG2-CD1 3.79Å; W165-I212 HydrophobicContact CB-CD1 4.01Å; W165-I212 HydrophobicContact CB-CG1 4.08Å; W165-I212 HydrophobicContact CB-CG2 4.34Å; W165-I212 HydrophobicContact CD2-CD1 3.91Å; W165-I212 HydrophobicContact CG-CD1 3.66Å; W165-I212 HydrophobicContact CG-CG1 4.26Å; F166-I212 HydrophobicContact CE1-CB 3.95Å; F166-I212 HydrophobicContact CE1-CG2 3.88Å; F166-I212 HydrophobicContact CE2-CG2 4.13Å; F166-I212 HydrophobicContact CZ-CB 4.07Å; F166-I212 HydrophobicContact CZ-CG2 3.6Å; M169-I212 HydrophobicContact CE-CG1 4.42Å; M208-I212 VanDerWaalsContact O-CG1 3.31Å; M208-I212 WeakPolarHBondContact O-CG1 3.46Å; M208-I212 PolarHBondContact O-N 3.28Å; G209-I212 PolarHBondContact O-N 3.24Å; I212-Y214 PolarHBondContact O-N 2.95Å; I212-L215 PolarHBondContact O-N 3.43Å; I212-V216 HydrophobicContact CG2-CG2 4.35Å; I212-V216 WeakPolarHBondContact O-CG2 3.45Å; I212-V216 PolarHBondContact O-N 2.97Å
213N96.3Very high93.2Very high5 Ų551.9 Ų51.93%0.02726%0.256CS..Hα-helixtrans-59.8-43.7175.6-83.5-38.2000112.6F166 G209 C210 V211 V216 F217 S237 S238F166-N213 WeakPolarHBondContact CZ-OD1 3.21Å; G209-N213 PolarHBondContact O-N 2.9Å; G209-N213 PolarHBondContact O-ND2 2.9Å; C210-N213 PolarHBondContact O-N 2.78Å; V211-N213 VanDerWaalsContact C-N 3.34Å; V211-N213 PolarHBondContact O-N 3.39Å; N213-V216 PolarHBondContact O-N 3.36Å; N213-F217 WeakPolarHBondContact O-CB 3.26Å; N213-F217 PolarHBondContact O-N 3.4Å; N213-S237 VanDerWaalsContact CG-OG 3.25Å; N213-S237 PolarHBondContact ND2-OG 3.45Å; N213-S237 VanDerWaalsContact OD1-CB 3.27Å; N213-S237 WeakPolarHBondContact OD1-CB 3.16Å; N213-S237 PolarHBondContact OD1-OG 3.41Å; N213-S238 PolarHBondContact ND2-N 3.01Å
214Y95.6Very high91.5Very high146 Ų14658.8 Ų58.857%0.57329%0.293SS*.Hα-helixtrans-61.4-43.9175.1170.5-101.1000111.9C210 V211 I212 F217 N218C210-Y214 PolarHBondContact O-N 2.79Å; V211-Y214 PolarHBondContact O-N 2.93Å; I212-Y214 PolarHBondContact O-N 2.95Å; Y214-F217 PolarHBondContact O-N 3.31Å; Y214-N218 WeakPolarHBondContact O-CB 3.46Å; Y214-N218 PolarHBondContact O-N 2.84Å
215L95.2Very high89.8Confident27 Ų2761.8 Ų61.814%0.14131%0.306CS..Hα-helixtrans-63.8-44.9178.4-70.6176.4000112.2L94 V211 I212 F217 N218 W219L94-L215 HydrophobicContact CD2-CD1 4.29Å; V211-L215 HydrophobicContact CG1-CD1 4.04Å; V211-L215 HydrophobicContact CG1-CG 4.33Å; V211-L215 VanDerWaalsContact O-CG 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.34Å; V211-L215 PolarHBondContact O-N 3.19Å; I212-L215 PolarHBondContact O-N 3.43Å; L215-F217 VanDerWaalsContact C-N 3.35Å; L215-F217 PolarHBondContact O-N 2.92Å; L215-N218 PolarHBondContact O-N 3.04Å; L215-W219 HydrophobicContact CB-CE3 3.98Å; L215-W219 HydrophobicContact CB-CH2 4.02Å; L215-W219 HydrophobicContact CB-CZ3 3.64Å; L215-W219 HydrophobicContact CD1-CH2 3.98Å; L215-W219 HydrophobicContact CD1-CZ3 4.21Å; L215-W219 HydrophobicContact CD2-CH2 3.91Å; L215-W219 HydrophobicContact CD2-CZ2 4Å; L215-W219 HydrophobicContact CD2-CZ3 4.4Å; L215-W219 HydrophobicContact CG-CH2 4.19Å; L215-W219 HydrophobicContact CG-CZ3 4.3Å; L215-W219 WeakPolarHBondContact O-CB 3.36Å; L215-W219 PolarHBondContact O-N 3.34Å
216V94.2Very high88.7Confident2 Ų267.3 Ų67.31%0.01233%0.332CS..Hα-helixtrans-59-47.5174.7172.60000110.2V98 A161 I212 N213 N218 W219 M220 I234V98-V216 HydrophobicContact CG1-CG2 3.46Å; V98-V216 VanDerWaalsContact CG1-CG2 3.46Å; A161-V216 HydrophobicContact CB-CG1 4.04Å; A161-V216 HydrophobicContact CB-CG2 4.16Å; I212-V216 HydrophobicContact CG2-CG2 4.35Å; I212-V216 WeakPolarHBondContact O-CG2 3.45Å; I212-V216 PolarHBondContact O-N 2.97Å; N213-V216 PolarHBondContact O-N 3.36Å; V216-N218 PolarHBondContact O-N 3.49Å; V216-W219 PolarHBondContact O-N 2.83Å; V216-M220 WeakPolarHBondContact O-CB 3.44Å; V216-M220 PolarHBondContact O-N 2.88Å; V216-I234 HydrophobicContact CG1-CD1 3.9Å; V216-I234 HydrophobicContact CG1-CG1 4.15Å
217F93.4Very high88.1Confident64 Ų6467.4 Ų67.428%0.28133%0.332SS..Hα-helixtrans-59.2-47.2177.7-179.6-103.1000112.4N213 Y214 L215 M220 Q221 F231 I234N213-F217 WeakPolarHBondContact O-CB 3.26Å; N213-F217 PolarHBondContact O-N 3.4Å; Y214-F217 PolarHBondContact O-N 3.31Å; L215-F217 VanDerWaalsContact C-N 3.35Å; L215-F217 PolarHBondContact O-N 2.92Å; F217-M220 HydrophobicContact CD2-CE 4.34Å; F217-M220 PolarHBondContact O-N 3.49Å; F217-Q221 PolarHBondContact O-N 3.45Å; F217-F231 HydrophobicContact CE2-CD2 4.22Å; F217-F231 HydrophobicContact CE2-CE2 4.15Å; F217-I234 HydrophobicContact CB-CD1 4.35Å; F217-I234 HydrophobicContact CB-CG2 4.12Å; F217-I234 HydrophobicContact CD2-CD1 4.38Å; F217-I234 HydrophobicContact CD2-CG2 4.3Å
218N92.6Very high87.6Confident46 Ų4667.1 Ų67.125%0.24633%0.326CS..Hα-helixtrans-63.4-46.5-179-174.153.7000111.8Y214 L215 V216 Q221 H222Y214-N218 WeakPolarHBondContact O-CB 3.46Å; Y214-N218 PolarHBondContact O-N 2.84Å; L215-N218 PolarHBondContact O-N 3.04Å; V216-N218 PolarHBondContact O-N 3.49Å; N218-Q221 PolarHBondContact O-N 2.72Å; N218-H222 PolarHBondContact O-N 3.09Å; N218-H222 PolarHBondContact O-ND1 2.86Å; N218-H222 PolarHBondContact OD1-CE1 2.93Å; N218-H222 PolarHBondContact OD1-ND1 3.38Å
219W92.1Very high87.1Confident41 Ų4164.2 Ų64.216%0.15531%0.313CS..Hα-helixtrans-74.3-28.8-179.5-66.8-35.4000113.6L94 K95 V98 L215 V216 Q221 H222 D223 C227L94-W219 HydrophobicContact CD2-CH2 4.4Å; L94-W219 HydrophobicContact CG-CH2 4.18Å; K95-W219 VanDerWaalsContact CA-CH2 3.46Å; K95-W219 HydrophobicContact CB-CD2 4.34Å; K95-W219 HydrophobicContact CB-CE3 4.39Å; K95-W219 HydrophobicContact CB-CH2 3.91Å; K95-W219 HydrophobicContact CB-CZ2 3.81Å; K95-W219 HydrophobicContact CB-CZ3 4.21Å; K95-W219 HydrophobicContact CD-CD2 4.28Å; K95-W219 HydrophobicContact CD-CG 4.33Å; K95-W219 HydrophobicContact CG-CD2 3.75Å; K95-W219 HydrophobicContact CG-CE3 3.99Å; K95-W219 HydrophobicContact CG-CG 4.19Å; K95-W219 HydrophobicContact CG-CH2 4.37Å; K95-W219 HydrophobicContact CG-CZ2 4.12Å; K95-W219 HydrophobicContact CG-CZ3 4.31Å; V98-W219 HydrophobicContact CB-CE3 4.26Å; V98-W219 HydrophobicContact CB-CZ3 3.61Å; V98-W219 HydrophobicContact CG1-CE3 4.15Å; V98-W219 HydrophobicContact CG1-CZ3 3.81Å; V98-W219 HydrophobicContact CG2-CH2 4.48Å; V98-W219 HydrophobicContact CG2-CZ3 3.85Å; L215-W219 HydrophobicContact CB-CE3 3.98Å; L215-W219 HydrophobicContact CB-CH2 4.02Å; L215-W219 HydrophobicContact CB-CZ3 3.64Å; L215-W219 HydrophobicContact CD1-CH2 3.98Å; L215-W219 HydrophobicContact CD1-CZ3 4.21Å; L215-W219 HydrophobicContact CD2-CH2 3.91Å; L215-W219 HydrophobicContact CD2-CZ2 4Å; L215-W219 HydrophobicContact CD2-CZ3 4.4Å; L215-W219 HydrophobicContact CG-CH2 4.19Å; L215-W219 HydrophobicContact CG-CZ3 4.3Å; L215-W219 WeakPolarHBondContact O-CB 3.36Å; L215-W219 PolarHBondContact O-N 3.34Å; V216-W219 PolarHBondContact O-N 2.83Å; W219-Q221 VanDerWaalsContact C-N 3.26Å; W219-Q221 PolarHBondContact O-N 2.92Å; W219-H222 PolarHBondContact O-N 3.49Å; W219-D223 VanDerWaalsContact O-CB 3.31Å; W219-D223 WeakPolarHBondContact O-CB 3.25Å; W219-D223 PolarHBondContact O-N 3.33Å; W219-C227 HydrophobicContact CB-CB 4.29Å
220M89.7Confident86.7Confident50 Ų5067.4 Ų67.425%0.24633%0.328CS..Hα-helixtrans-61.5-35.8171.6-173.1-171.269.800111.7V216 F217 I234V216-M220 WeakPolarHBondContact O-CB 3.44Å; V216-M220 PolarHBondContact O-N 2.88Å; F217-M220 HydrophobicContact CD2-CE 4.34Å; F217-M220 PolarHBondContact O-N 3.49Å; M220-I234 HydrophobicContact CE-CD1 3.86Å; M220-I234 HydrophobicContact SD-CD1 3.74Å
221Q84.3Confident86.3Confident124 Ų12472 Ų7258%0.57934%0.344SS*.Hα-helixtrans-79.1-31.6-179.7-71.2-169.1-1300114.4F217 N218 W219F217-Q221 PolarHBondContact O-N 3.45Å; N218-Q221 PolarHBondContact O-N 2.72Å; W219-Q221 VanDerWaalsContact C-N 3.26Å; W219-Q221 PolarHBondContact O-N 2.92Å
222H80.1Confident86.1Confident131 Ų13172.7 Ų72.761%0.60635%0.345SS*.Hα-helixtrans-91.9-17-170-74.279.5000114.4N218 W219N218-H222 PolarHBondContact O-N 3.09Å; N218-H222 PolarHBondContact O-ND1 2.86Å; N218-H222 PolarHBondContact OD1-CE1 2.93Å; N218-H222 PolarHBondContact OD1-ND1 3.38Å; W219-H222 PolarHBondContact O-N 3.49Å
223D68.4Low85.9Confident51 Ų5172.7 Ų72.727%0.27335%0.345SS..SBendtrans-134.137.4-151.6-132.466.1000115.7K95 W219 D225 Q226K95-D223 WeakPolarHBondContact CE-OD2 3.45Å; K95-D223 IonicContact NZ-OD1 3.08Å; K95-D223 PolarHBondContact NZ-OD1 3.06Å; K95-D223 VanDerWaalsContact NZ-OD1 3.08Å; K95-D223 IonicContact NZ-OD2 2.61Å; K95-D223 PolarHBondContact NZ-OD2 2.88Å; W219-D223 VanDerWaalsContact O-CB 3.31Å; W219-D223 WeakPolarHBondContact O-CB 3.25Å; W219-D223 PolarHBondContact O-N 3.33Å; D223-D225 PolarHBondContact O-N 3.22Å; D223-D225 VanDerWaalsContact O-N 3.11Å; D223-Q226 PolarHBondContact O-N 3.15Å; D223-Q226 VanDerWaalsContact O-N 3.1Å
224N62.7Low85.8Confident163 Ų16372.9 Ų72.987%0.87235%0.346SS*.THydrogen-bonded Turntrans32.664.1171.5-85.7-1000113.8Q226N224-Q226 PolarHBondContact O-N 3.31Å
225D62.3Low85.8Confident144 Ų14470.7 Ų70.777%0.7734%0.339SS*.THydrogen-bonded Turntrans72.69.8172.5-55.9-37.4000118.5D223 C227D223-D225 PolarHBondContact O-N 3.22Å; D223-D225 VanDerWaalsContact O-N 3.11Å; D225-C227 PolarHBondContact O-N 3.08Å
226Q74.9Confident85.8Confident127 Ų12775.4 Ų75.459%0.59336%0.355SS*.SBendtrans-68.5-14.8173.7-67.4-127.5-12.800114.3D223 N224D223-Q226 PolarHBondContact O-N 3.15Å; D223-Q226 VanDerWaalsContact O-N 3.1Å; N224-Q226 PolarHBondContact O-N 3.31Å
227C85Confident85.9Confident3 Ų375.3 Ų75.32%0.0236%0.355CS..SBendtrans-123.682.4178.9-149.60000110.5C99 A161 W219 D225 S229C99-C227 HydrophobicContact CB-CB 3.78Å; C99-C227 WeakPolarHBondContact CB-SG 3.34Å; C99-C227 WeakPolarHBondContact SG-CB 3.36Å; C99-C227 CovalentContact SG-SG 2.05Å; C99-C227 PolarHBondContact SG-SG 2.99Å; A161-C227 VanDerWaalsContact CB-SG 3.59Å; W219-C227 HydrophobicContact CB-CB 4.29Å; D225-C227 PolarHBondContact O-N 3.08Å; C227-S229 PolarHBondContact O-N 2.97Å; C227-S229 VanDerWaalsContact O-N 3.15Å
228Y86.5Confident86Confident99 Ų9974.3 Ų74.339%0.38836%0.356SS..  trans-67.1113.3-176.2-175.8-93.6000111.9D158 A161 H230D158-Y228 WeakPolarHBondContact O-CE1 3.27Å; A161-Y228 WeakPolarHBondContact CB-O 3.42Å; A161-Y228 PolarHBondContact N-O 3.14Å; Y228-H230 AromaticContact CZ-CE1 3.8Å; Y228-H230 AromaticContact CZ-NE2 3.88Å; Y228-H230 PolarHBondContact OH-CE1 3.32Å; Y228-H230 PolarHBondContact OH-NE2 3.46Å
229S87.1Confident86.2Confident13 Ų1376 Ų769%0.09137%0.365CS..  trans-157.9171.8170.6-166.20000109.6C227C227-S229 PolarHBondContact O-N 2.97Å; C227-S229 VanDerWaalsContact O-N 3.15Å
230H88.8Confident86.5Confident67 Ų6774.7 Ų74.731%0.3136%0.36SS..  trans-115.1143176.3-58.7-57.4000110.5D158 Y228 L232 N233 I234D158-H230 IonicContact OD2-CD2 3.6Å; D158-H230 IonicContact OD2-NE2 3.87Å; Y228-H230 AromaticContact CZ-CE1 3.8Å; Y228-H230 AromaticContact CZ-NE2 3.88Å; Y228-H230 PolarHBondContact OH-CE1 3.32Å; Y228-H230 PolarHBondContact OH-NE2 3.46Å; H230-L232 PolarHBondContact O-N 3.21Å; H230-N233 HydrophobicContact CB-CB 4.28Å; H230-N233 WeakPolarHBondContact O-CA 3.36Å; H230-N233 WeakPolarHBondContact O-CB 3.17Å; H230-N233 PolarHBondContact O-N 3.45Å; H230-I234 PolarHBondContact O-N 2.9Å
231F89.4Confident86.8Confident134 Ų13472.9 Ų72.959%0.58835%0.351SS*.Hα-helixtrans-52.2-42.9176.3179.6-97.3000112.3F217 N233 I234 F235F217-F231 HydrophobicContact CE2-CD2 4.22Å; F217-F231 HydrophobicContact CE2-CE2 4.15Å; F231-N233 VanDerWaalsContact C-N 3.29Å; F231-N233 PolarHBondContact O-N 3.5Å; F231-I234 PolarHBondContact O-N 2.96Å; F231-F235 WeakPolarHBondContact O-CB 3.48Å; F231-F235 PolarHBondContact O-N 2.88Å
232L92.1Very high87.5Confident87 Ų8771.6 Ų71.646%0.45535%0.347SS..Hα-helixtrans-63-36.5178.3-170.161.7000112.2H230 W236H230-L232 PolarHBondContact O-N 3.21Å; L232-W236 PolarHBondContact O-N 3.07Å
233N93.3Very high88.3Confident2 Ų266.6 Ų66.61%0.01133%0.327CS..Hα-helixtrans-66.5-49.6176.8-163.9-64.2000111.1Y151 Y154 S155 V160 H230 F231 F235 W236 S237Y151-N233 PolarHBondContact OH-OD1 3.26Å; Y154-N233 HydrophobicContact CE1-CB 4.17Å; Y154-N233 WeakPolarHBondContact CE1-ND2 3.48Å; S155-N233 WeakPolarHBondContact CA-ND2 3.46Å; S155-N233 WeakPolarHBondContact CB-ND2 3.5Å; S155-N233 PolarHBondContact OG-ND2 3.45Å; S155-N233 PolarHBondContact OG-OD1 3Å; V160-N233 HydrophobicContact CG1-CB 4.34Å; H230-N233 HydrophobicContact CB-CB 4.28Å; H230-N233 WeakPolarHBondContact O-CA 3.36Å; H230-N233 WeakPolarHBondContact O-CB 3.17Å; H230-N233 PolarHBondContact O-N 3.45Å; F231-N233 VanDerWaalsContact C-N 3.29Å; F231-N233 PolarHBondContact O-N 3.5Å; N233-F235 VanDerWaalsContact C-N 3.29Å; N233-F235 PolarHBondContact O-N 2.58Å; N233-W236 PolarHBondContact O-N 3.07Å; N233-S237 VanDerWaalsContact O-CB 3.26Å; N233-S237 WeakPolarHBondContact O-CB 3.24Å; N233-S237 PolarHBondContact O-N 3.4Å
234I93.8Very high89.7Confident9 Ų964.3 Ų64.35%0.04632%0.315CS..Hα-helixtrans-59.4-41.7177.1-62.1171000110.8V216 F217 M220 H230 F231 S237 S238V216-I234 HydrophobicContact CG1-CD1 3.9Å; V216-I234 HydrophobicContact CG1-CG1 4.15Å; F217-I234 HydrophobicContact CB-CD1 4.35Å; F217-I234 HydrophobicContact CB-CG2 4.12Å; F217-I234 HydrophobicContact CD2-CD1 4.38Å; F217-I234 HydrophobicContact CD2-CG2 4.3Å; M220-I234 HydrophobicContact CE-CD1 3.86Å; M220-I234 HydrophobicContact SD-CD1 3.74Å; H230-I234 PolarHBondContact O-N 2.9Å; F231-I234 PolarHBondContact O-N 2.96Å; I234-S237 PolarHBondContact O-N 2.97Å; I234-S238 WeakPolarHBondContact O-CB 3.31Å; I234-S238 PolarHBondContact O-N 3.44Å; I234-S238 PolarHBondContact O-OG 2.75Å
235F95.4Very high91.3Very high101 Ų10158.3 Ų58.344%0.44328%0.282SS..Hα-helixtrans-60.2-53.7177.1176.8-96.8000111.6F231 N233 S237 S238 L239F231-F235 WeakPolarHBondContact O-CB 3.48Å; F231-F235 PolarHBondContact O-N 2.88Å; N233-F235 VanDerWaalsContact C-N 3.29Å; N233-F235 PolarHBondContact O-N 2.58Å; F235-S237 VanDerWaalsContact C-N 3.35Å; F235-S237 PolarHBondContact O-N 2.89Å; F235-S238 PolarHBondContact O-N 3.41Å; F235-L239 WeakPolarHBondContact O-CB 3.35Å; F235-L239 PolarHBondContact O-N 2.89Å
236W95.9Very high93Very high125 Ų12555.7 Ų55.747%0.47327%0.271SS..Hα-helixtrans-64.1-39.1178.9-70.4125.8000112.7Y151 L232 N233 L239 M240Y151-W236 HydrophobicContact CD2-CB 4.48Å; L232-W236 PolarHBondContact O-N 3.07Å; N233-W236 PolarHBondContact O-N 3.07Å; W236-L239 HydrophobicContact CE3-CD2 3.95Å; W236-L239 HydrophobicContact CZ3-CD2 3.81Å; W236-M240 VanDerWaalsContact O-CB 3.29Å; W236-M240 WeakPolarHBondContact O-CB 3.45Å; W236-M240 PolarHBondContact O-N 3.29Å
237S96.3Very high94Very high0 Ų051.6 Ų51.60%025%0.253CS..Hα-helixtrans-61.6-48.7175.1-172.10000111.2Y151 N213 N233 I234 F235 L239 M240 Y241Y151-S237 VanDerWaalsContact CZ-CB 3.45Å; Y151-S237 WeakPolarHBondContact OH-CB 3.43Å; Y151-S237 PolarHBondContact OH-OG 3.5Å; N213-S237 VanDerWaalsContact CG-OG 3.25Å; N213-S237 PolarHBondContact ND2-OG 3.45Å; N213-S237 VanDerWaalsContact OD1-CB 3.27Å; N213-S237 WeakPolarHBondContact OD1-CB 3.16Å; N213-S237 PolarHBondContact OD1-OG 3.41Å; N233-S237 VanDerWaalsContact O-CB 3.26Å; N233-S237 WeakPolarHBondContact O-CB 3.24Å; N233-S237 PolarHBondContact O-N 3.4Å; I234-S237 PolarHBondContact O-N 2.97Å; F235-S237 VanDerWaalsContact C-N 3.35Å; F235-S237 PolarHBondContact O-N 2.89Å; S237-L239 PolarHBondContact O-N 3Å; S237-M240 PolarHBondContact O-N 3.19Å; S237-Y241 WeakPolarHBondContact O-CD2 3.42Å; S237-Y241 PolarHBondContact O-N 3.23Å
238S96.3Very high94.5Very high44 Ų4452.2 Ų52.231%0.30826%0.256SS..Hα-helixtrans-63.2-44.4-179.4-60.10000111.1N213 I234 F235 M240 L242N213-S238 PolarHBondContact ND2-N 3.01Å; I234-S238 WeakPolarHBondContact O-CB 3.31Å; I234-S238 PolarHBondContact O-N 3.44Å; I234-S238 PolarHBondContact O-OG 2.75Å; F235-S238 PolarHBondContact O-N 3.41Å; S238-M240 PolarHBondContact O-N 3.07Å; S238-L242 WeakPolarHBondContact O-CB 3.47Å; S238-L242 PolarHBondContact O-N 3.42Å
239L97Very high94.9Very high82 Ų8249.4 Ų49.443%0.42925%0.25SC..Hα-helixtrans-60.1-46.3175.7-178.862.7000111.3F235 W236 S237 S243F235-L239 WeakPolarHBondContact O-CB 3.35Å; F235-L239 PolarHBondContact O-N 2.89Å; W236-L239 HydrophobicContact CE3-CD2 3.95Å; W236-L239 HydrophobicContact CZ3-CD2 3.81Å; S237-L239 PolarHBondContact O-N 3Å; L239-S243 VanDerWaalsContact O-CB 3.25Å; L239-S243 WeakPolarHBondContact O-CB 3.46Å; L239-S243 PolarHBondContact O-N 3.32Å; L239-S243 PolarHBondContact O-OG 2.67Å
240M97.1Very high95.3Very high12 Ų1253.8 Ų53.86%0.05927%0.269CS..Hα-helixtrans-60.8-55.4178.3-177.3-17065.700111.2Y151 W236 S237 S238 L242 S243 Y244Y151-M240 HydrophobicContact CD1-CE 3.4Å; Y151-M240 VanDerWaalsContact CD1-CE 3.4Å; Y151-M240 HydrophobicContact CD1-SD 3.87Å; Y151-M240 HydrophobicContact CE1-CE 3.76Å; Y151-M240 HydrophobicContact CG-CE 3.92Å; Y151-M240 HydrophobicContact CG-SD 3.89Å; W236-M240 VanDerWaalsContact O-CB 3.29Å; W236-M240 WeakPolarHBondContact O-CB 3.45Å; W236-M240 PolarHBondContact O-N 3.29Å; S237-M240 PolarHBondContact O-N 3.19Å; S238-M240 PolarHBondContact O-N 3.07Å; M240-L242 PolarHBondContact O-N 3.47Å; M240-S243 PolarHBondContact O-N 3.18Å; M240-S243 PolarHBondContact O-OG 2.83Å; M240-Y244 HydrophobicContact CE-CE2 4.35Å; M240-Y244 HydrophobicContact CG-CD2 4.1Å; M240-Y244 HydrophobicContact CG-CE1 3.95Å; M240-Y244 HydrophobicContact CG-CE2 3.45Å; M240-Y244 VanDerWaalsContact CG-CE2 3.45Å; M240-Y244 WeakPolarHBondContact CG-OH 3.39Å; M240-Y244 WeakPolarHBondContact O-CD1 3.48Å; M240-Y244 VanDerWaalsContact O-CG 3.29Å; M240-Y244 PolarHBondContact O-N 3.02Å; M240-Y244 HydrophobicContact SD-CE2 3.79Å
241Y97.1Very high95.5Very high13 Ų1353.7 Ų53.75%0.05127%0.268CS..Hα-helixtrans-63.4-39.7-177.6-87.8-78.8000112.9F166 M206 S237 Y244 L245F166-Y241 HydrophobicContact CD1-CE1 4.31Å; F166-Y241 AromaticContact CD1-CE2 3.52Å; F166-Y241 HydrophobicContact CD1-CE2 3.52Å; F166-Y241 AromaticContact CD1-CZ 3.39Å; F166-Y241 WeakPolarHBondContact CD1-OH 3.34Å; F166-Y241 HydrophobicContact CE1-CD2 4.15Å; F166-Y241 AromaticContact CE1-CE2 3.54Å; F166-Y241 HydrophobicContact CE1-CE2 3.54Å; F166-Y241 AromaticContact CE1-CZ 3.8Å; F166-Y241 HydrophobicContact CG-CE2 4.16Å; F166-Y241 HydrophobicContact CZ-CE2 4.23Å; M206-Y241 HydrophobicContact SD-CD1 3.72Å; M206-Y241 HydrophobicContact SD-CE1 3.9Å; S237-Y241 WeakPolarHBondContact O-CD2 3.42Å; S237-Y241 PolarHBondContact O-N 3.23Å; Y241-Y244 PolarHBondContact O-N 3.36Å; Y241-L245 WeakPolarHBondContact O-CB 3.47Å; Y241-L245 PolarHBondContact O-N 3.23Å
242L97.1Very high95.7Very high96 Ų9648.7 Ų48.750%0.50325%0.246SC..Hα-helixtrans-65.5-43.9175.6-177.561.8000111.5S238 M240 Y244 L245 V246S238-L242 WeakPolarHBondContact O-CB 3.47Å; S238-L242 PolarHBondContact O-N 3.42Å; M240-L242 PolarHBondContact O-N 3.47Å; L242-Y244 VanDerWaalsContact C-N 3.31Å; L242-Y244 PolarHBondContact O-N 3.44Å; L242-L245 WeakPolarHBondContact O-CB 3.31Å; L242-L245 PolarHBondContact O-N 2.92Å; L242-V246 WeakPolarHBondContact O-CG2 3.37Å; L242-V246 PolarHBondContact O-N 3.41Å; L242-V246 VanDerWaalsContact O-N 3.09Å
243S97.8Very high95.7Very high26 Ų2650.3 Ų50.318%0.18225%0.249CC..Hα-helixtrans-60.5-42176.875.90000111.6Y143 L239 M240 V246 L247Y143-S243 WeakPolarHBondContact CE1-OG 3.47Å; Y143-S243 PolarHBondContact OH-OG 3.48Å; Y143-S243 VanDerWaalsContact OH-OG 3.09Å; L239-S243 VanDerWaalsContact O-CB 3.25Å; L239-S243 WeakPolarHBondContact O-CB 3.46Å; L239-S243 PolarHBondContact O-N 3.32Å; L239-S243 PolarHBondContact O-OG 2.67Å; M240-S243 PolarHBondContact O-N 3.18Å; M240-S243 PolarHBondContact O-OG 2.83Å; S243-V246 PolarHBondContact O-N 3.15Å; S243-L247 WeakPolarHBondContact O-CB 3.49Å; S243-L247 VanDerWaalsContact O-CG 3.25Å; S243-L247 WeakPolarHBondContact O-CG 3.4Å; S243-L247 PolarHBondContact O-N 2.96Å
244Y97.4Very high95.5Very high4 Ų456 Ų562%0.01628%0.276CS..Hα-helixtrans-65.8-43.5177.1-66.7-7.8000111.5Y143 H144 T147 V148 M206 M240 Y241 L242 V246 L247 F248Y143-Y244 HydrophobicContact CD1-CD1 4.32Å; Y143-Y244 AromaticContact CD1-CE1 3.97Å; Y143-Y244 HydrophobicContact CD1-CE1 3.97Å; Y143-Y244 AromaticContact CE1-CD1 3.91Å; Y143-Y244 HydrophobicContact CE1-CD1 3.91Å; Y143-Y244 AromaticContact CE1-CE1 3.65Å; Y143-Y244 HydrophobicContact CE1-CE1 3.65Å; H144-Y244 HydrophobicContact CB-CE1 4.17Å; H144-Y244 AromaticContact CD2-CD2 3.92Å; H144-Y244 AromaticContact CD2-CE2 3.43Å; H144-Y244 VanDerWaalsContact CD2-CE2 3.43Å; H144-Y244 WeakPolarHBondContact CD2-CE2 3.42Å; H144-Y244 AromaticContact CD2-CZ 3.52Å; H144-Y244 PolarHBondContact O-OH 3.39Å; H144-Y244 VanDerWaalsContact O-OH 3.1Å; T147-Y244 WeakPolarHBondContact CB-OH 3.35Å; T147-Y244 WeakPolarHBondContact OG1-CE1 3.46Å; T147-Y244 PolarHBondContact OG1-OH 3.47Å; V148-Y244 PolarHBondContact N-OH 3.45Å; M206-Y244 HydrophobicContact CE-CD2 4.28Å; M206-Y244 HydrophobicContact SD-CD2 3.7Å; M206-Y244 HydrophobicContact SD-CG 4.19Å; M240-Y244 HydrophobicContact CE-CE2 4.35Å; M240-Y244 HydrophobicContact CG-CD2 4.1Å; M240-Y244 HydrophobicContact CG-CE1 3.95Å; M240-Y244 HydrophobicContact CG-CE2 3.45Å; M240-Y244 VanDerWaalsContact CG-CE2 3.45Å; M240-Y244 WeakPolarHBondContact CG-OH 3.39Å; M240-Y244 WeakPolarHBondContact O-CD1 3.48Å; M240-Y244 VanDerWaalsContact O-CG 3.29Å; M240-Y244 PolarHBondContact O-N 3.02Å; M240-Y244 HydrophobicContact SD-CE2 3.79Å; Y241-Y244 PolarHBondContact O-N 3.36Å; L242-Y244 VanDerWaalsContact C-N 3.31Å; L242-Y244 PolarHBondContact O-N 3.44Å; Y244-V246 VanDerWaalsContact C-N 3.31Å; Y244-V246 PolarHBondContact O-N 3.4Å; Y244-L247 PolarHBondContact O-N 3.48Å; Y244-F248 WeakPolarHBondContact O-CB 3.46Å; Y244-F248 VanDerWaalsContact O-CD2 3.3Å; Y244-F248 WeakPolarHBondContact O-CD2 3.46Å; Y244-F248 PolarHBondContact O-N 2.99Å
245L97.3Very high95.3Very high36 Ų3656.6 Ų56.619%0.18828%0.282CS..Hα-helixtrans-54.8-49.4176.7179.458.8000111I203 M206 M207 Y241 L242 C249I203-L245 HydrophobicContact CG2-CD1 3.94Å; M206-L245 HydrophobicContact CB-CB 3.86Å; M206-L245 HydrophobicContact CB-CD1 4.16Å; M207-L245 HydrophobicContact CG-CD1 3.59Å; M207-L245 HydrophobicContact CG-CD2 4.17Å; Y241-L245 WeakPolarHBondContact O-CB 3.47Å; Y241-L245 PolarHBondContact O-N 3.23Å; L242-L245 WeakPolarHBondContact O-CB 3.31Å; L242-L245 PolarHBondContact O-N 2.92Å; L245-C249 VanDerWaalsContact O-CB 3.29Å; L245-C249 WeakPolarHBondContact O-CB 3.08Å; L245-C249 PolarHBondContact O-N 3.08Å; L245-C249 PolarHBondContact O-SG 3.12Å
246V97.4Very high95Very high90 Ų9052.7 Ų52.755%0.54527%0.265SS..Hα-helixtrans-60.8-48.1178.1173.50000111.2L242 S243 Y244 C249 H250L242-V246 WeakPolarHBondContact O-CG2 3.37Å; L242-V246 PolarHBondContact O-N 3.41Å; L242-V246 VanDerWaalsContact O-N 3.09Å; S243-V246 PolarHBondContact O-N 3.15Å; Y244-V246 VanDerWaalsContact C-N 3.31Å; Y244-V246 PolarHBondContact O-N 3.4Å; V246-C249 PolarHBondContact O-N 2.68Å; V246-H250 WeakPolarHBondContact O-CB 3.42Å; V246-H250 PolarHBondContact O-N 3.35Å
247L95.9Very high94.5Very high40 Ų4049.6 Ų49.621%0.20926%0.257CS..Hα-helixtrans-67.3-38.4-177.3-69.2169.3000112.9F139 L140 Y143 S243 Y244 F251F139-L247 HydrophobicContact CD1-CD1 4.47Å; F139-L247 HydrophobicContact CD1-CD2 4.11Å; F139-L247 HydrophobicContact CE1-CD1 4.12Å; F139-L247 HydrophobicContact CE1-CD2 4.16Å; L140-L247 HydrophobicContact CD1-CB 3.59Å; L140-L247 HydrophobicContact CD1-CD1 4.04Å; L140-L247 HydrophobicContact CD1-CG 4.46Å; Y143-L247 HydrophobicContact CD1-CD1 3.64Å; Y143-L247 HydrophobicContact CE1-CD1 3.79Å; S243-L247 WeakPolarHBondContact O-CB 3.49Å; S243-L247 VanDerWaalsContact O-CG 3.25Å; S243-L247 WeakPolarHBondContact O-CG 3.4Å; S243-L247 PolarHBondContact O-N 2.96Å; Y244-L247 PolarHBondContact O-N 3.48Å; L247-F251 WeakPolarHBondContact O-CB 3.17Å; L247-F251 PolarHBondContact O-N 2.91Å
248F94.8Very high93.5Very high16 Ų1651.2 Ų51.27%0.0727%0.273CS..Hα-helixtrans-71-39.6176.2-88.1-76.4000112L140 Q202 I203 M206 Y244 F251 F252L140-F248 HydrophobicContact CD1-CD2 4.04Å; L140-F248 HydrophobicContact CD1-CE2 3.88Å; L140-F248 HydrophobicContact CD1-CZ 4.32Å; L140-F248 HydrophobicContact CD2-CD1 4.04Å; L140-F248 HydrophobicContact CD2-CD2 4.45Å; L140-F248 HydrophobicContact CD2-CE1 3.97Å; L140-F248 HydrophobicContact CD2-CE2 4.39Å; L140-F248 HydrophobicContact CD2-CG 4.28Å; L140-F248 HydrophobicContact CD2-CZ 4.15Å; Q202-F248 HydrophobicContact CB-CD1 4.05Å; Q202-F248 HydrophobicContact CB-CE1 3.91Å; Q202-F248 HydrophobicContact CB-CZ 4.28Å; Q202-F248 HydrophobicContact CG-CE1 4.25Å; I203-F248 HydrophobicContact CG1-CB 3.77Å; M206-F248 HydrophobicContact CE-CD2 4.44Å; M206-F248 HydrophobicContact CE-CE2 4.12Å; M206-F248 HydrophobicContact CG-CD2 4.33Å; Y244-F248 WeakPolarHBondContact O-CB 3.46Å; Y244-F248 VanDerWaalsContact O-CD2 3.3Å; Y244-F248 WeakPolarHBondContact O-CD2 3.46Å; Y244-F248 PolarHBondContact O-N 2.99Å; F248-F251 PolarHBondContact O-N 3.41Å; F248-F252 WeakPolarHBondContact O-CB 2.98Å; F248-F252 PolarHBondContact O-N 3.12Å
249C95.6Very high92Very high40 Ų4055 Ų5527%0.2728%0.284SS..Hα-helixtrans-59.2-49.7171.4-75.60000110.6L245 V246 F251 F252 F253L245-C249 VanDerWaalsContact O-CB 3.29Å; L245-C249 WeakPolarHBondContact O-CB 3.08Å; L245-C249 PolarHBondContact O-N 3.08Å; L245-C249 PolarHBondContact O-SG 3.12Å; V246-C249 PolarHBondContact O-N 2.68Å; C249-F251 PolarHBondContact O-N 3.41Å; C249-F252 WeakPolarHBondContact O-CB 3.49Å; C249-F252 PolarHBondContact O-N 3.21Å; C249-F252 VanDerWaalsContact O-N 3.14Å; C249-F253 WeakPolarHBondContact O-CD2 3.17Å; C249-F253 PolarHBondContact O-N 3.47Å
250H94.9Very high90.3Very high105 Ų10556.5 Ų56.549%0.48629%0.29SS..Hα-helixtrans-56.2-48.9176-178.2-89.5000111.8V246 F252 F253 E254V246-H250 WeakPolarHBondContact O-CB 3.42Å; V246-H250 PolarHBondContact O-N 3.35Å; H250-F252 VanDerWaalsContact C-N 3.32Å; H250-F252 PolarHBondContact O-N 3.1Å; H250-F253 PolarHBondContact O-N 3.01Å; H250-E254 IonicContact CE1-OE1 2.81Å; H250-E254 PolarHBondContact CE1-OE1 3.35Å; H250-E254 VanDerWaalsContact CE1-OE1 3.23Å; H250-E254 IonicContact CE1-OE2 3.31Å; H250-E254 IonicContact ND1-OE2 3.79Å; H250-E254 IonicContact NE2-OE1 2.97Å; H250-E254 PolarHBondContact O-N 3.3Å
251F93.4Very high88.3Confident66 Ų6663 Ų6329%0.28932%0.318SS..Hα-helixtrans-57.7-42.8175.8173.3-99000112.4I138 L140 T199 L247 F248 C249 E254 A255I138-F251 HydrophobicContact CD1-CD2 4.31Å; I138-F251 HydrophobicContact CD1-CE2 4.28Å; L140-F251 HydrophobicContact CD2-CB 4.15Å; L140-F251 HydrophobicContact CD2-CG 4.39Å; T199-F251 HydrophobicContact CG2-CD1 3.8Å; T199-F251 HydrophobicContact CG2-CE1 3.95Å; L247-F251 WeakPolarHBondContact O-CB 3.17Å; L247-F251 PolarHBondContact O-N 2.91Å; F248-F251 PolarHBondContact O-N 3.41Å; C249-F251 PolarHBondContact O-N 3.41Å; F251-E254 PolarHBondContact O-N 3.21Å; F251-A255 HydrophobicContact CE1-CB 4.34Å; F251-A255 HydrophobicContact CE2-CB 4.36Å; F251-A255 HydrophobicContact CZ-CB 4.17Å; F251-A255 WeakPolarHBondContact O-CB 3.31Å; F251-A255 PolarHBondContact O-N 3.04Å
252F93.6Very high86.2Confident29 Ų2970.2 Ų70.213%0.12735%0.35CS..Hα-helixtrans-62.9-46178.8-177-89.1000111.8M196 T199 L200 I203 F248 C249 H250 E254 A255 Y256 I257M196-F252 HydrophobicContact CG-CE2 3.61Å; M196-F252 HydrophobicContact CG-CZ 4.03Å; M196-F252 HydrophobicContact SD-CZ 4.39Å; T199-F252 HydrophobicContact CG2-CB 4.2Å; T199-F252 HydrophobicContact CG2-CD2 3.84Å; L200-F252 HydrophobicContact CD1-CE2 4.41Å; L200-F252 HydrophobicContact CD2-CD2 4.19Å; L200-F252 HydrophobicContact CD2-CE2 3.57Å; L200-F252 HydrophobicContact CD2-CZ 3.77Å; L200-F252 HydrophobicContact CG-CD2 4.48Å; L200-F252 HydrophobicContact CG-CE2 3.73Å; L200-F252 HydrophobicContact CG-CZ 4.25Å; I203-F252 HydrophobicContact CD1-CB 3.85Å; I203-F252 HydrophobicContact CD1-CD2 4.23Å; I203-F252 HydrophobicContact CD1-CG 4.1Å; F248-F252 WeakPolarHBondContact O-CB 2.98Å; F248-F252 PolarHBondContact O-N 3.12Å; C249-F252 WeakPolarHBondContact O-CB 3.49Å; C249-F252 PolarHBondContact O-N 3.21Å; C249-F252 VanDerWaalsContact O-N 3.14Å; H250-F252 VanDerWaalsContact C-N 3.32Å; H250-F252 PolarHBondContact O-N 3.1Å; F252-E254 PolarHBondContact O-N 3.39Å; F252-A255 PolarHBondContact O-N 2.05Å; F252-Y256 AromaticContact CD2-CD2 3.53Å; F252-Y256 HydrophobicContact CD2-CD2 3.53Å; F252-Y256 AromaticContact CD2-CE2 3.96Å; F252-Y256 HydrophobicContact CD2-CE2 3.96Å; F252-Y256 HydrophobicContact CD2-CG 4.48Å; F252-Y256 AromaticContact CE2-CD2 3.78Å; F252-Y256 HydrophobicContact CE2-CD2 3.78Å; F252-Y256 HydrophobicContact CE2-CE2 4.3Å; F252-Y256 HydrophobicContact CE2-CG 4.36Å; F252-Y256 HydrophobicContact CG-CD2 4.04Å; F252-Y256 HydrophobicContact CZ-CD2 4.47Å; F252-Y256 WeakPolarHBondContact O-CB 3.31Å; F252-Y256 WeakPolarHBondContact O-CD2 3.23Å; F252-Y256 PolarHBondContact O-N 2.91Å; F252-I257 HydrophobicContact CD1-CD1 4.17Å; F252-I257 HydrophobicContact CE1-CD1 3.86Å; F252-I257 HydrophobicContact CE1-CG1 4.22Å
253F92.6Very high84.1Confident121 Ų12169.7 Ų69.753%0.53135%0.351SS..Iπ-helixtrans-59.2-47.3176.3-81.5-71.6000111.5C249 H250 I257 G258C249-F253 WeakPolarHBondContact O-CD2 3.17Å; C249-F253 PolarHBondContact O-N 3.47Å; H250-F253 PolarHBondContact O-N 3.01Å; F253-I257 HydrophobicContact CD1-CB 4.25Å; F253-I257 HydrophobicContact CD1-CD1 3.49Å; F253-I257 VanDerWaalsContact CD1-CD1 3.49Å; F253-I257 HydrophobicContact CD1-CG1 4.38Å; F253-I257 HydrophobicContact CD1-CG2 4.45Å; F253-I257 HydrophobicContact CE1-CD1 3.53Å; F253-I257 HydrophobicContact CG-CD1 4.45Å; F253-I257 PolarHBondContact O-N 3.36Å; F253-G258 PolarHBondContact O-N 2.94Å
254E89.9Confident82Confident120 Ų12073.1 Ų73.156%0.56137%0.371SS*.Iπ-helixtrans-66.6-44.1179.1-70.4-166.7141.800113.1H250 F251 F252H250-E254 IonicContact CE1-OE1 2.81Å; H250-E254 PolarHBondContact CE1-OE1 3.35Å; H250-E254 VanDerWaalsContact CE1-OE1 3.23Å; H250-E254 IonicContact CE1-OE2 3.31Å; H250-E254 IonicContact ND1-OE2 3.79Å; H250-E254 IonicContact NE2-OE1 2.97Å; H250-E254 PolarHBondContact O-N 3.3Å; F251-E254 PolarHBondContact O-N 3.21Å; F252-E254 PolarHBondContact O-N 3.39Å
255A88Confident79.7Confident22 Ų2281.8 Ų81.818%0.18241%0.409CS..Iπ-helixtrans-76.9-33.3-171.700000113.5R192 F251 F252R192-A255 PolarHBondContact NH2-O 3.49Å; F251-A255 HydrophobicContact CE1-CB 4.34Å; F251-A255 HydrophobicContact CE2-CB 4.36Å; F251-A255 HydrophobicContact CZ-CB 4.17Å; F251-A255 WeakPolarHBondContact O-CB 3.31Å; F251-A255 PolarHBondContact O-N 3.04Å; F252-A255 PolarHBondContact O-N 2.05Å
256Y89Confident77.5Confident19 Ų1984.3 Ų84.38%0.07544%0.435CS..Iπ-helixtrans-114-53.5-171.5-60.6-72.5000112.9R192 A195 M196 T199 F252 M260R192-Y256 HydrophobicContact CG-CE1 4.2Å; A195-Y256 PolarHBondContact O-OH 3.11Å; A195-Y256 VanDerWaalsContact O-OH 3.1Å; M196-Y256 HydrophobicContact CB-CD1 4.08Å; M196-Y256 HydrophobicContact CB-CE1 3.77Å; M196-Y256 HydrophobicContact CE-CD1 3.57Å; M196-Y256 HydrophobicContact CE-CE1 4.37Å; M196-Y256 HydrophobicContact CE-CG 3.92Å; M196-Y256 HydrophobicContact CG-CD1 4.18Å; M196-Y256 HydrophobicContact CG-CD2 4.49Å; M196-Y256 HydrophobicContact CG-CE1 4.31Å; M196-Y256 HydrophobicContact CG-CG 4.28Å; M196-Y256 PolarHBondContact N-OH 3.41Å; T199-Y256 HydrophobicContact CG2-CE2 4.18Å; T199-Y256 WeakPolarHBondContact OG1-CE2 3.33Å; T199-Y256 PolarHBondContact OG1-OH 3.31Å; T199-Y256 VanDerWaalsContact OG1-OH 3.14Å; F252-Y256 AromaticContact CD2-CD2 3.53Å; F252-Y256 HydrophobicContact CD2-CD2 3.53Å; F252-Y256 AromaticContact CD2-CE2 3.96Å; F252-Y256 HydrophobicContact CD2-CE2 3.96Å; F252-Y256 HydrophobicContact CD2-CG 4.48Å; F252-Y256 AromaticContact CE2-CD2 3.78Å; F252-Y256 HydrophobicContact CE2-CD2 3.78Å; F252-Y256 HydrophobicContact CE2-CE2 4.3Å; F252-Y256 HydrophobicContact CE2-CG 4.36Å; F252-Y256 HydrophobicContact CG-CD2 4.04Å; F252-Y256 HydrophobicContact CZ-CD2 4.47Å; F252-Y256 WeakPolarHBondContact O-CB 3.31Å; F252-Y256 WeakPolarHBondContact O-CD2 3.23Å; F252-Y256 PolarHBondContact O-N 2.91Å; Y256-M260 WeakPolarHBondContact O-CG 3.35Å; Y256-M260 PolarHBondContact O-N 3.23Å
257I86.1Confident74.8Confident60 Ų6090 Ų9031%0.30846%0.456SS..Iπ-helixtrans-79.8-46-173-62.4174.8000111.4F252 F253 K259 M260 K261F252-I257 HydrophobicContact CD1-CD1 4.17Å; F252-I257 HydrophobicContact CE1-CD1 3.86Å; F252-I257 HydrophobicContact CE1-CG1 4.22Å; F253-I257 HydrophobicContact CD1-CB 4.25Å; F253-I257 HydrophobicContact CD1-CD1 3.49Å; F253-I257 VanDerWaalsContact CD1-CD1 3.49Å; F253-I257 HydrophobicContact CD1-CG1 4.38Å; F253-I257 HydrophobicContact CD1-CG2 4.45Å; F253-I257 HydrophobicContact CE1-CD1 3.53Å; F253-I257 HydrophobicContact CG-CD1 4.45Å; F253-I257 PolarHBondContact O-N 3.36Å; I257-K259 PolarHBondContact O-N 3.48Å; I257-M260 PolarHBondContact O-N 3.47Å; I257-M260 VanDerWaalsContact O-N 3.15Å; I257-K261 PolarHBondContact O-N 3.35Å; I257-K261 VanDerWaalsContact O-N 3.12Å
258G74.4Confident73.7Confident34 Ų3492.6 Ų92.635%0.35147%0.468SS..Hα-helixtrans-62.1-31.5-179.900000113.1F253 K262F253-G258 PolarHBondContact O-N 2.94Å; G258-K262 PolarHBondContact O-N 3.31Å
259K65.7Low72.6Confident124 Ų12496.6 Ų96.654%0.53949%0.489SS..Hα-helixtrans-73.9-39.3173.6-73-168.5179-177.90113I257 K261 K262 T263I257-K259 PolarHBondContact O-N 3.48Å; K259-K261 VanDerWaalsContact C-N 3.34Å; K259-K261 PolarHBondContact O-N 2.88Å; K259-K262 PolarHBondContact O-N 3.49Å; K259-T263 PolarHBondContact O-N 3.4Å; K259-T263 PolarHBondContact O-OG1 3.47Å
260M60.7Low71.3Confident113 Ų11399.7 Ų99.756%0.55750%0.501SS*.Hα-helixtrans-60.6-44.3175.7-75.7174.160.500111.3Y256 I257 K262 T263 T264Y256-M260 WeakPolarHBondContact O-CG 3.35Å; Y256-M260 PolarHBondContact O-N 3.23Å; I257-M260 PolarHBondContact O-N 3.47Å; I257-M260 VanDerWaalsContact O-N 3.15Å; M260-K262 PolarHBondContact O-N 2.88Å; M260-T263 PolarHBondContact O-N 2.61Å; M260-T263 VanDerWaalsContact O-N 3.14Å; M260-T264 PolarHBondContact O-N 2.81Å; M260-T264 PolarHBondContact O-OG1 3.38Å; M260-T264 VanDerWaalsContact O-OG1 3.11Å
261K55.6Low69.9Low149 Ų14999.4 Ų99.465%0.64850%0.502SS*.Hα-helixtrans-61.4-26.7176.6-74.6-173.3177.2-177.20114.3I257 K259 K265I257-K261 PolarHBondContact O-N 3.35Å; I257-K261 VanDerWaalsContact O-N 3.12Å; K259-K261 VanDerWaalsContact C-N 3.34Å; K259-K261 PolarHBondContact O-N 2.88Å; K261-K265 WeakPolarHBondContact O-CG 3.17Å
262K53.4Low68.5Low165 Ų165101.5 Ų101.572%0.71752%0.515SS*.Hα-helixtrans-79.4-34.9175.3-77.8-173.3176.7-174.50112.5G258 K259 M260 A266G258-K262 PolarHBondContact O-N 3.31Å; K259-K262 PolarHBondContact O-N 3.49Å; M260-K262 PolarHBondContact O-N 2.88Å; K262-A266 PolarHBondContact O-N 3.15Å
263T53.3Low66.8Low84 Ų84106.3 Ų106.352%0.51554%0.541SS..Hα-helixtrans-68.7-44.7176-54.70000111.1K259 M260 K265 A266 E267K259-T263 PolarHBondContact O-N 3.4Å; K259-T263 PolarHBondContact O-OG1 3.47Å; M260-T263 PolarHBondContact O-N 2.61Å; M260-T263 VanDerWaalsContact O-N 3.14Å; T263-K265 PolarHBondContact O-N 3.08Å; T263-A266 PolarHBondContact O-N 3.34Å; T263-A266 VanDerWaalsContact O-N 3.15Å; T263-E267 PolarHBondContact O-N 3.2Å
264T52.2Low64.9Low99 Ų99105.3 Ų105.361%0.60754%0.542SS*.THydrogen-bonded Turntrans-70.1-15.3178.8-46.10000114.3M260M260-T264 PolarHBondContact O-N 2.81Å; M260-T264 PolarHBondContact O-OG1 3.38Å; M260-T264 VanDerWaalsContact O-OG1 3.11Å
265K50Low63Low186 Ų186104.2 Ų104.281%0.80954%0.54SS*.THydrogen-bonded Turntrans-93.4-9.1174.2-82.2-170.7173.7-167.10113.5K261 T263K261-K265 WeakPolarHBondContact O-CG 3.17Å; T263-K265 PolarHBondContact O-N 3.08Å
266A50.2Low60.9Low89 Ų89111 Ų11174%0.73657%0.57SS**  trans-104-3.4-18000000112.5K262 T263K262-A266 PolarHBondContact O-N 3.15Å; T263-A266 PolarHBondContact O-N 3.34Å; T263-A266 VanDerWaalsContact O-N 3.15Å
267E40.8Very low58.4Low210 Ų210119.4 Ų119.498%0.98162%0.615SS**  trans-98.40165.3-68.8175.3165.700108.7T263T263-E267 PolarHBondContact O-N 3.2Å

Retrieved 267 of 267 residues in 311.5 ms (Link to these results)