A0A087YMD0_POEFO Loading...

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 A0A087YMD0, Species POEFO (Poecilia formosa, Amazon molly), Gene ELOVL6, Length 269 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
1M50.8Low70.4Confident146 Ų146100.4 Ų100.472%0.71951%0.512SS*.  0124.90-94.7-179.9-77.700107.3V3 M88M1-V3 PolarHBondContact O-N 3.4Å; M1-M88 HydrophobicContact CE-CB 4.32Å; M1-M88 HydrophobicContact CE-CE 3.74Å; M1-M88 HydrophobicContact CE-CG 4.47Å; M1-M88 HydrophobicContact CE-SD 3.34Å; M1-M88 WeakPolarHBondContact CE-SD 3.34Å; M1-M88 HydrophobicContact SD-SD 3.93Å
2S48.7Very low72.1Confident76 Ų7692 Ų9253%0.53147%0.47SS..  trans-69.8118.8-178.4520000108.9L4 A5S2-L4 PolarHBondContact O-N 3.06Å; S2-A5 PolarHBondContact O-N 2.79Å
3V54.6Low73.3Confident128 Ų12899.6 Ų99.678%0.77649%0.489SS*.G310 helixtrans-48.6-26.7171.5175.50000111.4M1 A5 L6 Q7M1-V3 PolarHBondContact O-N 3.4Å; V3-A5 VanDerWaalsContact C-N 3.34Å; V3-A5 PolarHBondContact O-N 3.35Å; V3-L6 PolarHBondContact O-N 3.32Å; V3-Q7 PolarHBondContact O-N 3.22Å
4L58.6Low74.6Confident127 Ų127102.4 Ų102.467%0.66550%0.5SS*.G310 helixtrans-59.4-32.5175.2-61.2172.5000114.9S2 L6 Q7S2-L4 PolarHBondContact O-N 3.06Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 2.6Å; L4-Q7 PolarHBondContact O-N 2.89Å
5A61.5Low75.8Confident25 Ų2597.9 Ų97.921%0.20748%0.477CS..G310 helixtrans-75.2-18.8-176.200000113.3S2 V3 R78S2-A5 PolarHBondContact O-N 2.79Å; V3-A5 VanDerWaalsContact C-N 3.34Å; V3-A5 PolarHBondContact O-N 3.35Å; A5-R78 PolarHBondContact O-NH1 3.49Å
6L69.3Low76.9Confident56 Ų5696.5 Ų96.529%0.29347%0.472SS..SBendtrans-105.1-3.1176.1-66.5171.6000112.7V3 L4 E8 F85 V106V3-L6 PolarHBondContact O-N 3.32Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 2.6Å; L6-E8 PolarHBondContact O-N 3.43Å; L6-F85 HydrophobicContact CD1-CB 3.91Å; L6-F85 HydrophobicContact CD1-CD1 4.36Å; L6-F85 HydrophobicContact CD1-CD2 3.71Å; L6-F85 HydrophobicContact CD1-CE2 4.33Å; L6-F85 HydrophobicContact CD1-CG 3.72Å; L6-F85 HydrophobicContact CD2-CB 4.43Å; L6-V106 WeakPolarHBondContact O-CG2 3.41Å
7Q80.7Confident77.7Confident121 Ų12193.4 Ų93.457%0.56546%0.457SS*.SBendtrans-69124.5172.5-175.2172.2-500109.1V3 L4 R78V3-Q7 PolarHBondContact O-N 3.22Å; L4-Q7 PolarHBondContact O-N 2.89Å; Q7-R78 PolarHBondContact O-NH1 3.01Å; Q7-R78 PolarHBondContact O-NH2 3.37Å
8E83.8Confident78.6Confident77 Ų7796.5 Ų96.536%0.3647%0.47SS..PPolyproline II helixtrans-64.9138.7178.7-67.6171.7-110.200111.3L6 R13 P105 V106L6-E8 PolarHBondContact O-N 3.43Å; E8-R13 HydrophobicContact CB-CB 4.43Å; E8-R13 WeakPolarHBondContact OE2-CA 2.98Å; E8-R13 WeakPolarHBondContact OE2-CB 2.76Å; E8-P105 HydrophobicContact CG-CB 3.59Å; E8-P105 WeakPolarHBondContact OE1-CB 3.12Å; E8-V106 HydrophobicContact CG-CG2 4.21Å
9Y88.3Confident79.4Confident107 Ų10798.5 Ų98.542%0.4248%0.478SS..PPolyproline II helixtrans-78.1156.6161.8-60.7-50000110.3F11 E12 R13Y9-F11 VanDerWaalsContact C-N 3.26Å; Y9-F11 AromaticContact CD2-CE1 3.6Å; Y9-F11 HydrophobicContact CD2-CE1 3.6Å; Y9-F11 AromaticContact CD2-CZ 3.86Å; Y9-F11 HydrophobicContact CD2-CZ 3.86Å; Y9-F11 HydrophobicContact CG-CD1 4.5Å; Y9-F11 AromaticContact CG-CE1 3.81Å; Y9-F11 HydrophobicContact CG-CE1 3.81Å; Y9-F11 HydrophobicContact CG-CZ 4.46Å; Y9-F11 PolarHBondContact O-N 3.16Å; Y9-E12 PolarHBondContact N-OE2 2.99Å; Y9-E12 PolarHBondContact O-N 3.12Å; Y9-R13 PolarHBondContact O-N 3.42Å
10E88.2Confident80.1Confident147 Ų14793.9 Ų93.969%0.68746%0.457SS*.Hα-helixtrans-55.6-41.8-177.7-172.6177.8177.900112.6E12 R13 Q14E10-E12 PolarHBondContact O-N 2.93Å; E10-R13 PolarHBondContact O-N 2.9Å; E10-Q14 WeakPolarHBondContact O-CB 3.24Å; E10-Q14 WeakPolarHBondContact O-CG 3.36Å; E10-Q14 PolarHBondContact O-N 3.19Å; E10-Q14 PolarHBondContact OE1-NE2 3.08Å; E10-Q14 VanDerWaalsContact OE1-NE2 3.17Å
11F90.1Very high80.8Confident94 Ų9490.3 Ų90.341%0.41244%0.44SS..Hα-helixtrans-69.3-30.7178.574.6-92.7000113.4Y9 F15 F109 W110Y9-F11 VanDerWaalsContact C-N 3.26Å; Y9-F11 AromaticContact CD2-CE1 3.6Å; Y9-F11 HydrophobicContact CD2-CE1 3.6Å; Y9-F11 AromaticContact CD2-CZ 3.86Å; Y9-F11 HydrophobicContact CD2-CZ 3.86Å; Y9-F11 HydrophobicContact CG-CD1 4.5Å; Y9-F11 AromaticContact CG-CE1 3.81Å; Y9-F11 HydrophobicContact CG-CE1 3.81Å; Y9-F11 HydrophobicContact CG-CZ 4.46Å; Y9-F11 PolarHBondContact O-N 3.16Å; F11-F15 PolarHBondContact O-N 3.47Å; F11-F109 HydrophobicContact CD2-CD1 4.27Å; F11-F109 HydrophobicContact CD2-CD2 4.3Å; F11-F109 HydrophobicContact CD2-CE1 4.28Å; F11-F109 HydrophobicContact CD2-CE2 4.3Å; F11-F109 HydrophobicContact CD2-CG 4.28Å; F11-F109 HydrophobicContact CD2-CZ 4.29Å; F11-F109 AromaticContact CE2-CD1 3.62Å; F11-F109 HydrophobicContact CE2-CD1 3.62Å; F11-F109 HydrophobicContact CE2-CD2 4.44Å; F11-F109 AromaticContact CE2-CE1 3.63Å; F11-F109 HydrophobicContact CE2-CE1 3.63Å; F11-F109 HydrophobicContact CE2-CE2 4.45Å; F11-F109 HydrophobicContact CE2-CG 4.04Å; F11-F109 HydrophobicContact CE2-CZ 4.06Å; F11-W110 HydrophobicContact CZ-CZ2 4.31Å
12E90.7Very high83Confident0 Ų091.1 Ų91.10%044%0.435CS..Hα-helixtrans-71.1-41.2176.4-64.5170.6155.600109.6Y9 E10 F15 R78 K108 F109 W110Y9-E12 PolarHBondContact N-OE2 2.99Å; Y9-E12 PolarHBondContact O-N 3.12Å; E10-E12 PolarHBondContact O-N 2.93Å; E12-F15 WeakPolarHBondContact O-CB 3.44Å; E12-F15 PolarHBondContact O-N 3.37Å; E12-R78 IonicContact OE1-CZ 3.34Å; E12-R78 IonicContact OE1-NE 2.88Å; E12-R78 PolarHBondContact OE1-NE 3.37Å; E12-R78 IonicContact OE1-NH2 3.8Å; E12-R78 PolarHBondContact OE1-NH2 3.05Å; E12-R78 IonicContact OE2-CZ 3.82Å; E12-R78 IonicContact OE2-NE 3.38Å; E12-R78 IonicContact OE2-NH2 3.55Å; E12-R78 PolarHBondContact OE2-NH2 3.31Å; E12-K108 WeakPolarHBondContact O-CE 3.26Å; E12-F109 HydrophobicContact CG-CB 4.46Å; E12-W110 PolarHBondContact OE1-NE1 2.88Å
13R88Confident85.2Confident191 Ų19191.6 Ų91.672%0.72143%0.425SS*.Hα-helixtrans-65-41.6177.1-178.2177.9155-174.6-6112.4E8 Y9 E10 F15E8-R13 HydrophobicContact CB-CB 4.43Å; E8-R13 WeakPolarHBondContact OE2-CA 2.98Å; E8-R13 WeakPolarHBondContact OE2-CB 2.76Å; Y9-R13 PolarHBondContact O-N 3.42Å; E10-R13 PolarHBondContact O-N 2.9Å; R13-F15 VanDerWaalsContact C-N 3.26Å; R13-F15 PolarHBondContact O-N 2.97Å
14Q90.8Very high87.2Confident138 Ų13885.5 Ų85.565%0.64539%0.388SS*.Hα-helixtrans-75.1-12.8178.9-72.1174.3-5.400113.5E10 N16E10-Q14 WeakPolarHBondContact O-CB 3.24Å; E10-Q14 WeakPolarHBondContact O-CG 3.36Å; E10-Q14 PolarHBondContact O-N 3.19Å; E10-Q14 PolarHBondContact OE1-NE2 3.08Å; E10-Q14 VanDerWaalsContact OE1-NE2 3.17Å; Q14-N16 PolarHBondContact O-N 3.29Å
15F93.2Very high88.9Confident36 Ų3684.1 Ų84.116%0.15838%0.378CS..  trans-67.6126.9-179-177.4-102.9000111.2F11 E12 R13 E17 A20 K108 F109 Y112F11-F15 PolarHBondContact O-N 3.47Å; E12-F15 WeakPolarHBondContact O-CB 3.44Å; E12-F15 PolarHBondContact O-N 3.37Å; R13-F15 VanDerWaalsContact C-N 3.26Å; R13-F15 PolarHBondContact O-N 2.97Å; F15-E17 HydrophobicContact CD1-CB 4.46Å; F15-E17 HydrophobicContact CE1-CB 4.34Å; F15-E17 PolarHBondContact O-N 2.88Å; F15-E17 VanDerWaalsContact O-OE2 3.1Å; F15-A20 HydrophobicContact CE1-CB 3.93Å; F15-A20 HydrophobicContact CE2-CB 4.43Å; F15-A20 HydrophobicContact CZ-CB 3.48Å; F15-A20 VanDerWaalsContact CZ-CB 3.48Å; F15-K108 HydrophobicContact CD1-CB 4.38Å; F15-K108 HydrophobicContact CD1-CD 4.38Å; F15-K108 HydrophobicContact CD1-CG 3.97Å; F15-K108 WeakPolarHBondContact O-CE 3.22Å; F15-K108 PolarHBondContact O-NZ 3.14Å; F15-F109 HydrophobicContact CB-CB 4.3Å; F15-F109 HydrophobicContact CB-CD2 4.48Å; F15-F109 HydrophobicContact CD1-CB 4.18Å; F15-F109 AromaticContact CD2-CD2 3.71Å; F15-F109 HydrophobicContact CD2-CD2 3.71Å; F15-F109 HydrophobicContact CE2-CD2 4.1Å; F15-F109 HydrophobicContact CG-CB 4.07Å; F15-F109 HydrophobicContact CG-CD2 4.09Å; F15-Y112 AromaticContact CE2-CD1 3.74Å; F15-Y112 HydrophobicContact CE2-CD1 3.74Å; F15-Y112 HydrophobicContact CE2-CE1 4.33Å; F15-Y112 HydrophobicContact CE2-CG 4.43Å; F15-Y112 AromaticContact CZ-CD1 3.46Å; F15-Y112 HydrophobicContact CZ-CD1 3.46Å; F15-Y112 VanDerWaalsContact CZ-CD1 3.46Å; F15-Y112 HydrophobicContact CZ-CE1 4.27Å; F15-Y112 AromaticContact CZ-CG 3.7Å; F15-Y112 HydrophobicContact CZ-CG 3.7Å
16N92.8Very high90.5Very high75 Ų7588.8 Ų88.840%0.40140%0.396SS..  trans-89.697176.8-174.2-11.2000110.5Q14 E18 E19 A20Q14-N16 PolarHBondContact O-N 3.29Å; N16-E18 VanDerWaalsContact C-N 3.34Å; N16-E18 PolarHBondContact OD1-N 3.04Å; N16-E18 VanDerWaalsContact OD1-N 3.17Å; N16-E19 HydrophobicContact CB-CB 4.18Å; N16-E19 PolarHBondContact OD1-N 3.24Å; N16-E19 VanDerWaalsContact OD1-N 3.17Å; N16-A20 PolarHBondContact O-N 3.4Å
17E91.5Very high91.8Very high44 Ų4487.2 Ų87.221%0.20639%0.388CS..Hα-helixtrans-66.4-32.8178.764.5-85.3-155.100113.4F15 A20 I21 N103 K108F15-E17 HydrophobicContact CD1-CB 4.46Å; F15-E17 HydrophobicContact CE1-CB 4.34Å; F15-E17 PolarHBondContact O-N 2.88Å; F15-E17 VanDerWaalsContact O-OE2 3.1Å; E17-A20 PolarHBondContact O-N 3.19Å; E17-I21 WeakPolarHBondContact O-CB 3.27Å; E17-I21 WeakPolarHBondContact O-CD1 3.46Å; E17-I21 WeakPolarHBondContact O-CG1 3.49Å; E17-I21 PolarHBondContact O-N 3.35Å; E17-N103 HydrophobicContact CG-CB 3.97Å; E17-K108 HydrophobicContact CB-CB 4.17Å; E17-K108 HydrophobicContact CB-CD 4.23Å; E17-K108 HydrophobicContact CG-CD 4.42Å; E17-K108 IonicContact OE1-NZ 2.99Å; E17-K108 WeakPolarHBondContact OE2-CD 3.49Å; E17-K108 IonicContact OE2-NZ 3.22Å; E17-K108 PolarHBondContact OE2-NZ 2.94Å
18E92.6Very high92.5Very high149 Ų14983.9 Ų83.970%0.69637%0.37SS*.Hα-helixtrans-66.5-43.9-178.4-63.6-172.6167.400110.8N16 A20 I21 R22N16-E18 VanDerWaalsContact C-N 3.34Å; N16-E18 PolarHBondContact OD1-N 3.04Å; N16-E18 VanDerWaalsContact OD1-N 3.17Å; E18-A20 VanDerWaalsContact C-N 3.34Å; E18-I21 PolarHBondContact O-N 3.49Å; E18-R22 VanDerWaalsContact O-CB 3.32Å; E18-R22 WeakPolarHBondContact O-CB 3.16Å; E18-R22 PolarHBondContact O-N 2.89Å
19E94.6Very high93Very high134 Ų13486.9 Ų86.963%0.62638%0.382SS*.Hα-helixtrans-63.5-41.8174.5-175.3177.9177.500111.3N16 R22 W23N16-E19 HydrophobicContact CB-CB 4.18Å; N16-E19 PolarHBondContact OD1-N 3.24Å; N16-E19 VanDerWaalsContact OD1-N 3.17Å; E19-R22 PolarHBondContact O-N 3.25Å; E19-W23 WeakPolarHBondContact O-CB 3.34Å; E19-W23 PolarHBondContact O-N 3.5Å
20A94.2Very high93.4Very high6 Ų685.9 Ų85.95%0.0538%0.38CS..Hα-helixtrans-62.9-45.1177.400000112.4F15 N16 E17 E18 W23 M24 Y112F15-A20 HydrophobicContact CE1-CB 3.93Å; F15-A20 HydrophobicContact CE2-CB 4.43Å; F15-A20 HydrophobicContact CZ-CB 3.48Å; F15-A20 VanDerWaalsContact CZ-CB 3.48Å; N16-A20 PolarHBondContact O-N 3.4Å; E17-A20 PolarHBondContact O-N 3.19Å; E18-A20 VanDerWaalsContact C-N 3.34Å; A20-W23 PolarHBondContact O-N 3.26Å; A20-M24 WeakPolarHBondContact O-CG 3.08Å; A20-M24 PolarHBondContact O-N 3.08Å; A20-Y112 HydrophobicContact CB-CD1 4.24Å; A20-Y112 HydrophobicContact CB-CD2 3.72Å; A20-Y112 HydrophobicContact CB-CE1 4.37Å; A20-Y112 HydrophobicContact CB-CE2 3.89Å; A20-Y112 HydrophobicContact CB-CG 3.9Å
21I94.1Very high93.7Very high19 Ų1978.9 Ų78.910%0.09735%0.347CS..Hα-helixtrans-62.1-47.7176-69.7159.6000110.1E17 E18 W23 M24 Q25 Y154 M157E17-I21 WeakPolarHBondContact O-CB 3.27Å; E17-I21 WeakPolarHBondContact O-CD1 3.46Å; E17-I21 WeakPolarHBondContact O-CG1 3.49Å; E17-I21 PolarHBondContact O-N 3.35Å; E18-I21 PolarHBondContact O-N 3.49Å; I21-W23 PolarHBondContact O-N 3.47Å; I21-M24 PolarHBondContact O-N 3.27Å; I21-M24 VanDerWaalsContact O-N 3.15Å; I21-Q25 HydrophobicContact CG2-CG 4.46Å; I21-Q25 WeakPolarHBondContact O-CG 3.24Å; I21-Q25 PolarHBondContact O-N 3.33Å; I21-Y154 HydrophobicContact CG1-CE1 4.22Å; I21-M157 HydrophobicContact CD1-SD 3.51Å; I21-M157 VanDerWaalsContact CD1-SD 3.51Å; I21-M157 HydrophobicContact CG1-SD 4.05Å; I21-M157 HydrophobicContact CG2-CE 4.4Å; I21-M157 HydrophobicContact CG2-SD 4.37Å
22R96.1Very high94.1Very high164 Ų16479.8 Ų79.862%0.61935%0.351SS*.Hα-helixtrans-59.4-46.4177.9-174179.6-170.1157.89.4111.6E18 E19 M24 Q25 E26E18-R22 VanDerWaalsContact O-CB 3.32Å; E18-R22 WeakPolarHBondContact O-CB 3.16Å; E18-R22 PolarHBondContact O-N 2.89Å; E19-R22 PolarHBondContact O-N 3.25Å; R22-M24 VanDerWaalsContact C-N 3.29Å; R22-M24 PolarHBondContact O-N 2.8Å; R22-Q25 PolarHBondContact O-N 3.25Å; R22-Q25 VanDerWaalsContact O-N 3.16Å; R22-E26 WeakPolarHBondContact CG-OE1 3.34Å; R22-E26 IonicContact NE-OE1 3.37Å; R22-E26 PolarHBondContact NE-OE1 3.49Å; R22-E26 WeakPolarHBondContact O-CG 3.46Å; R22-E26 PolarHBondContact O-N 2.81Å
23W96.4Very high94.4Very high85 Ų8584.7 Ų84.732%0.32238%0.377SS..Hα-helixtrans-58.4-43.9176.5-173.194.9000111E19 A20 I21 E26 N27 Y112 L116 W151E19-W23 WeakPolarHBondContact O-CB 3.34Å; E19-W23 PolarHBondContact O-N 3.5Å; A20-W23 PolarHBondContact O-N 3.26Å; I21-W23 PolarHBondContact O-N 3.47Å; W23-E26 PolarHBondContact O-N 2.92Å; W23-N27 HydrophobicContact CD2-CB 4.07Å; W23-N27 HydrophobicContact CE3-CB 4.12Å; W23-N27 HydrophobicContact CH2-CB 4.15Å; W23-N27 HydrophobicContact CZ2-CB 4.08Å; W23-N27 HydrophobicContact CZ3-CB 4.15Å; W23-N27 WeakPolarHBondContact O-CB 3.41Å; W23-N27 PolarHBondContact O-N 2.95Å; W23-N27 PolarHBondContact O-ND2 3.08Å; W23-Y112 HydrophobicContact CE3-CE2 4.3Å; W23-L116 HydrophobicContact CH2-CD2 4.19Å; W23-L116 HydrophobicContact CZ3-CD2 3.86Å; W23-W151 AromaticContact CH2-CH2 3.71Å; W23-W151 HydrophobicContact CH2-CH2 3.71Å; W23-W151 AromaticContact CH2-CZ3 3.96Å; W23-W151 HydrophobicContact CH2-CZ3 3.96Å; W23-W151 AromaticContact CZ3-CH2 3.93Å; W23-W151 HydrophobicContact CZ3-CH2 3.93Å; W23-W151 AromaticContact CZ3-CZ3 4Å; W23-W151 HydrophobicContact CZ3-CZ3 4Å
24M95.1Very high94.8Very high0 Ų079 Ų790%036%0.357CS..Hα-helixtrans-64.2-40.5176.9-72.2-61.6-51.500112.4A20 I21 R22 E26 N27 W28 Y112 V115 L116 W151 Y154A20-M24 WeakPolarHBondContact O-CG 3.08Å; A20-M24 PolarHBondContact O-N 3.08Å; I21-M24 PolarHBondContact O-N 3.27Å; I21-M24 VanDerWaalsContact O-N 3.15Å; R22-M24 VanDerWaalsContact C-N 3.29Å; R22-M24 PolarHBondContact O-N 2.8Å; M24-E26 VanDerWaalsContact C-N 3.32Å; M24-E26 PolarHBondContact O-N 3.42Å; M24-N27 PolarHBondContact O-N 3.03Å; M24-W28 WeakPolarHBondContact O-CA 3.13Å; M24-W28 VanDerWaalsContact O-CB 3.25Å; M24-W28 WeakPolarHBondContact O-CB 3.17Å; M24-W28 PolarHBondContact O-N 2.91Å; M24-Y112 HydrophobicContact CG-CD2 4.08Å; M24-Y112 HydrophobicContact CG-CE2 3.74Å; M24-Y112 HydrophobicContact SD-CE2 3.99Å; M24-V115 HydrophobicContact CE-CG1 3.51Å; M24-V115 HydrophobicContact SD-CG1 4.26Å; M24-L116 HydrophobicContact SD-CD2 4.48Å; M24-W151 HydrophobicContact CE-CB 3.98Å; M24-W151 HydrophobicContact CE-CD2 3.95Å; M24-W151 HydrophobicContact CE-CE3 4.17Å; M24-W151 HydrophobicContact CE-CG 3.91Å; M24-Y154 HydrophobicContact CB-CD1 3.69Å; M24-Y154 HydrophobicContact CB-CE1 4.06Å; M24-Y154 HydrophobicContact CE-CD1 4.44Å; M24-Y154 HydrophobicContact CG-CD1 3.47Å; M24-Y154 VanDerWaalsContact CG-CD1 3.47Å; M24-Y154 HydrophobicContact CG-CE1 3.63Å; M24-Y154 HydrophobicContact CG-CG 4.46Å
25Q94.3Very high95.1Very high99 Ų9972.9 Ų72.946%0.46333%0.33SS..Hα-helixtrans-62.2-37.9175.9-72174.4-14.900112.8I21 R22 W28 K155I21-Q25 HydrophobicContact CG2-CG 4.46Å; I21-Q25 WeakPolarHBondContact O-CG 3.24Å; I21-Q25 PolarHBondContact O-N 3.33Å; R22-Q25 PolarHBondContact O-N 3.25Å; R22-Q25 VanDerWaalsContact O-N 3.16Å; Q25-W28 VanDerWaalsContact O-CD1 3.25Å; Q25-K155 HydrophobicContact CG-CB 4.21Å; Q25-K155 WeakPolarHBondContact CG-O 3.31Å; Q25-K155 PolarHBondContact NE2-O 3Å
26E96.2Very high95.3Very high123 Ų12374 Ų7458%0.57535%0.346SS*.Hα-helixtrans-78.2-31.8178.3-69173.3-173.500112.2R22 W23 M24R22-E26 WeakPolarHBondContact CG-OE1 3.34Å; R22-E26 IonicContact NE-OE1 3.37Å; R22-E26 PolarHBondContact NE-OE1 3.49Å; R22-E26 WeakPolarHBondContact O-CG 3.46Å; R22-E26 PolarHBondContact O-N 2.81Å; W23-E26 PolarHBondContact O-N 2.92Å; M24-E26 VanDerWaalsContact C-N 3.32Å; M24-E26 PolarHBondContact O-N 3.42Å
27N96.3Very high95.4Very high23 Ų2374.8 Ų74.812%0.12335%0.349CS..Hα-helixtrans-115.3-1.7-165.2-63.5-79.7000115.3W23 M24 K29 K30W23-N27 HydrophobicContact CD2-CB 4.07Å; W23-N27 HydrophobicContact CE3-CB 4.12Å; W23-N27 HydrophobicContact CH2-CB 4.15Å; W23-N27 HydrophobicContact CZ2-CB 4.08Å; W23-N27 HydrophobicContact CZ3-CB 4.15Å; W23-N27 WeakPolarHBondContact O-CB 3.41Å; W23-N27 PolarHBondContact O-N 2.95Å; W23-N27 PolarHBondContact O-ND2 3.08Å; M24-N27 PolarHBondContact O-N 3.03Å; N27-K29 PolarHBondContact O-N 3.47Å; N27-K30 HydrophobicContact CB-CD 4.03Å; N27-K30 HydrophobicContact CB-CG 4.44Å; N27-K30 VanDerWaalsContact O-CB 3.26Å; N27-K30 WeakPolarHBondContact O-CB 3.49Å; N27-K30 WeakPolarHBondContact O-CG 3.39Å; N27-K30 PolarHBondContact O-N 2.86Å; N27-K30 WeakPolarHBondContact OD1-CE 3.43Å; N27-K30 PolarHBondContact OD1-NZ 2.78Å
28W94.6Very high95.7Very high50 Ų5073.1 Ų73.119%0.18934%0.341CS..THydrogen-bonded Turntrans-54.2-32-176.770.6-87.5000113M24 Q25 K30 S31 F32 W151 Y152 K155M24-W28 WeakPolarHBondContact O-CA 3.13Å; M24-W28 VanDerWaalsContact O-CB 3.25Å; M24-W28 WeakPolarHBondContact O-CB 3.17Å; M24-W28 PolarHBondContact O-N 2.91Å; Q25-W28 VanDerWaalsContact O-CD1 3.25Å; W28-K30 PolarHBondContact O-N 2.97Å; W28-S31 VanDerWaalsContact O-CB 3.3Å; W28-S31 WeakPolarHBondContact O-CB 3.15Å; W28-S31 PolarHBondContact O-N 3.34Å; W28-S31 VanDerWaalsContact O-N 3.15Å; W28-S31 PolarHBondContact O-OG 2.86Å; W28-F32 HydrophobicContact CE3-CE2 4.33Å; W28-F32 HydrophobicContact CH2-CE2 4.17Å; W28-F32 AromaticContact CZ3-CE2 3.58Å; W28-F32 HydrophobicContact CZ3-CE2 3.58Å; W28-F32 HydrophobicContact CZ3-CZ 4.18Å; W28-W151 HydrophobicContact CB-CB 4.4Å; W28-Y152 HydrophobicContact CE3-CD2 4.17Å; W28-Y152 HydrophobicContact CH2-CD2 4.2Å; W28-Y152 AromaticContact CZ3-CD2 3.88Å; W28-Y152 HydrophobicContact CZ3-CD2 3.88Å; W28-K155 HydrophobicContact CD2-CD 4.02Å; W28-K155 HydrophobicContact CG-CD 3.81Å
29K95.7Very high95.8Very high140 Ų14067.8 Ų67.861%0.60932%0.323SS*.THydrogen-bonded Turntrans-64.9-19.5178-63.7-179.2-177.2173.50113.5N27 S31 F32N27-K29 PolarHBondContact O-N 3.47Å; K29-S31 PolarHBondContact O-N 3.36Å; K29-F32 HydrophobicContact CB-CD2 4.45Å; K29-F32 WeakPolarHBondContact O-CB 3.19Å; K29-F32 WeakPolarHBondContact O-CD2 3.29Å; K29-F32 PolarHBondContact O-N 3.22Å; K29-F32 VanDerWaalsContact O-N 3.1Å
30K95.4Very high95.9Very high87 Ų8764.2 Ų64.238%0.37832%0.316SS..Hα-helixtrans-61.3-22.5173.8-67.4-177.7176.6162.20112.1N27 W28 F32 L33 F34 W151N27-K30 HydrophobicContact CB-CD 4.03Å; N27-K30 HydrophobicContact CB-CG 4.44Å; N27-K30 VanDerWaalsContact O-CB 3.26Å; N27-K30 WeakPolarHBondContact O-CB 3.49Å; N27-K30 WeakPolarHBondContact O-CG 3.39Å; N27-K30 PolarHBondContact O-N 2.86Å; N27-K30 WeakPolarHBondContact OD1-CE 3.43Å; N27-K30 PolarHBondContact OD1-NZ 2.78Å; W28-K30 PolarHBondContact O-N 2.97Å; K30-F32 PolarHBondContact O-N 3.37Å; K30-L33 WeakPolarHBondContact O-CB 3.34Å; K30-L33 PolarHBondContact O-N 3.14Å; K30-L33 VanDerWaalsContact O-N 3.1Å; K30-F34 HydrophobicContact CB-CE2 4.39Å; K30-F34 PolarHBondContact O-N 3.3Å; K30-W151 HydrophobicContact CB-CZ3 4.03Å
31S96.1Very high95.9Very high0 Ų067.2 Ų67.20%034%0.336CS..Hα-helixtrans-55.4-38.4172.161.80000112.5W28 K29 F34 S35 L148W28-S31 VanDerWaalsContact O-CB 3.3Å; W28-S31 WeakPolarHBondContact O-CB 3.15Å; W28-S31 PolarHBondContact O-N 3.34Å; W28-S31 VanDerWaalsContact O-N 3.15Å; W28-S31 PolarHBondContact O-OG 2.86Å; K29-S31 PolarHBondContact O-N 3.36Å; S31-F34 PolarHBondContact O-N 2.89Å; S31-S35 WeakPolarHBondContact O-CB 3.18Å; S31-S35 PolarHBondContact O-N 3.13Å; S31-S35 PolarHBondContact O-OG 3.22Å; S31-S35 VanDerWaalsContact O-OG 3.06Å; S31-L148 WeakPolarHBondContact OG-CD2 3.5Å
32F97.1Very high96Very high113 Ų11367 Ų6750%0.49634%0.335SS..Hα-helixtrans-63.6-42.6175.1-67-72.5000112.3W28 K29 K30 S35 A36 L148W28-F32 HydrophobicContact CE3-CE2 4.33Å; W28-F32 HydrophobicContact CH2-CE2 4.17Å; W28-F32 AromaticContact CZ3-CE2 3.58Å; W28-F32 HydrophobicContact CZ3-CE2 3.58Å; W28-F32 HydrophobicContact CZ3-CZ 4.18Å; K29-F32 HydrophobicContact CB-CD2 4.45Å; K29-F32 WeakPolarHBondContact O-CB 3.19Å; K29-F32 WeakPolarHBondContact O-CD2 3.29Å; K29-F32 PolarHBondContact O-N 3.22Å; K29-F32 VanDerWaalsContact O-N 3.1Å; K30-F32 PolarHBondContact O-N 3.37Å; F32-S35 PolarHBondContact O-N 2.99Å; F32-A36 WeakPolarHBondContact O-CB 3.36Å; F32-A36 PolarHBondContact O-N 3.06Å; F32-L148 HydrophobicContact CB-CD2 4.5Å; F32-L148 HydrophobicContact CD1-CD1 4.45Å; F32-L148 HydrophobicContact CD1-CD2 3.54Å; F32-L148 HydrophobicContact CE1-CD1 4.33Å; F32-L148 HydrophobicContact CE1-CD2 3.81Å; F32-L148 HydrophobicContact CG-CD2 3.96Å; F32-L148 HydrophobicContact CZ-CD2 4.43Å
33L96.6Very high95.9Very high103 Ų10365.2 Ų65.254%0.53934%0.337SS..Hα-helixtrans-62.4-46.6175.8176.562.8000110.6K30 S35 A36 L37K30-L33 WeakPolarHBondContact O-CB 3.34Å; K30-L33 PolarHBondContact O-N 3.14Å; K30-L33 VanDerWaalsContact O-N 3.1Å; L33-S35 PolarHBondContact O-N 3.39Å; L33-A36 PolarHBondContact O-N 3.25Å; L33-L37 HydrophobicContact CD1-CD1 4.2Å; L33-L37 HydrophobicContact CD1-CG 4.2Å; L33-L37 HydrophobicContact CG-CD1 4.05Å; L33-L37 HydrophobicContact CG-CG 4.47Å; L33-L37 WeakPolarHBondContact O-CB 3.04Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.21Å; L33-L37 PolarHBondContact O-N 3.04Å
34F96.9Very high95.8Very high70 Ų7062.9 Ų62.931%0.30734%0.339SS..Hα-helixtrans-61.8-40.6176.5-66.4-31.2000112.5K30 S31 L37 Y38 A119 L147 W151K30-F34 HydrophobicContact CB-CE2 4.39Å; K30-F34 PolarHBondContact O-N 3.3Å; S31-F34 PolarHBondContact O-N 2.89Å; F34-L37 PolarHBondContact O-N 3.25Å; F34-Y38 WeakPolarHBondContact O-CB 3.23Å; F34-Y38 PolarHBondContact O-N 2.82Å; F34-A119 HydrophobicContact CD2-CB 4.3Å; F34-L147 HydrophobicContact CB-CD2 3.87Å; F34-W151 HydrophobicContact CD2-CH2 4.24Å; F34-W151 HydrophobicContact CD2-CZ2 4.48Å; F34-W151 AromaticContact CE2-CH2 3.68Å; F34-W151 HydrophobicContact CE2-CH2 3.68Å; F34-W151 HydrophobicContact CE2-CZ2 4.19Å; F34-W151 HydrophobicContact CE2-CZ3 4.28Å
35S96.9Very high95.7Very high10 Ų1063.8 Ų63.87%0.0735%0.349CS..Hα-helixtrans-63.8-40.5174.2-62.90000112.8S31 F32 L33 Y38 A39S31-S35 WeakPolarHBondContact O-CB 3.18Å; S31-S35 PolarHBondContact O-N 3.13Å; S31-S35 PolarHBondContact O-OG 3.22Å; S31-S35 VanDerWaalsContact O-OG 3.06Å; F32-S35 PolarHBondContact O-N 2.99Å; L33-S35 PolarHBondContact O-N 3.39Å; S35-Y38 PolarHBondContact O-N 3.46Å; S35-A39 PolarHBondContact O-N 2.73Å
36A96.8Very high95.7Very high60 Ų6065.9 Ų65.950%0.49635%0.352SS..Hα-helixtrans-66-46.3176.800000111.6F32 L33 Y38 A39 A40F32-A36 WeakPolarHBondContact O-CB 3.36Å; F32-A36 PolarHBondContact O-N 3.06Å; L33-A36 PolarHBondContact O-N 3.25Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 3.33Å; A36-A39 PolarHBondContact O-N 2.86Å; A36-A40 WeakPolarHBondContact O-CB 3.36Å; A36-A40 PolarHBondContact O-N 3.16Å
37L96.4Very high95.6Very high91 Ų9166 Ų6648%0.47635%0.353SS..Hα-helixtrans-59.8-43.9174.6-71.4173.6000111.1L33 F34 A39 A40 C41L33-L37 HydrophobicContact CD1-CD1 4.2Å; L33-L37 HydrophobicContact CD1-CG 4.2Å; L33-L37 HydrophobicContact CG-CD1 4.05Å; L33-L37 HydrophobicContact CG-CG 4.47Å; L33-L37 WeakPolarHBondContact O-CB 3.04Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.21Å; L33-L37 PolarHBondContact O-N 3.04Å; F34-L37 PolarHBondContact O-N 3.25Å; L37-A39 PolarHBondContact O-N 3.2Å; L37-A40 PolarHBondContact O-N 3.07Å; L37-C41 WeakPolarHBondContact O-CB 3.26Å; L37-C41 PolarHBondContact O-N 3.17Å; L37-C41 PolarHBondContact O-SG 3.1Å
38Y96.6Very high95.5Very high10 Ų1068.4 Ų68.44%0.03937%0.368CS..Hα-helixtrans-59.8-46.1176.2171-104.6000112.8F34 S35 A36 A40 C41 I42 L122 T125 W140 H143 I144F34-Y38 WeakPolarHBondContact O-CB 3.23Å; F34-Y38 PolarHBondContact O-N 2.82Å; S35-Y38 PolarHBondContact O-N 3.46Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 3.33Å; Y38-A40 PolarHBondContact O-N 2.64Å; Y38-C41 PolarHBondContact O-N 3.17Å; Y38-I42 HydrophobicContact CD1-CD1 3.89Å; Y38-I42 HydrophobicContact CD2-CD1 4.42Å; Y38-I42 HydrophobicContact CE1-CD1 3.4Å; Y38-I42 HydrophobicContact CE2-CD1 4.01Å; Y38-I42 HydrophobicContact CE2-CG1 4.42Å; Y38-I42 HydrophobicContact CG-CD1 4.39Å; Y38-I42 VanDerWaalsContact CZ-CD1 3.49Å; Y38-I42 WeakPolarHBondContact O-CG1 3.23Å; Y38-I42 PolarHBondContact O-N 3.31Å; Y38-L122 HydrophobicContact CD1-CD2 4.36Å; Y38-L122 HydrophobicContact CD2-CB 3.73Å; Y38-L122 HydrophobicContact CD2-CD1 4.2Å; Y38-L122 HydrophobicContact CD2-CD2 3.82Å; Y38-L122 HydrophobicContact CD2-CG 4.12Å; Y38-L122 HydrophobicContact CE1-CD2 4.44Å; Y38-L122 HydrophobicContact CE2-CB 3.95Å; Y38-L122 HydrophobicContact CE2-CD2 3.88Å; Y38-L122 HydrophobicContact CE2-CG 4.45Å; Y38-L122 HydrophobicContact CG-CD1 4.28Å; Y38-L122 HydrophobicContact CG-CD2 4.03Å; Y38-T125 HydrophobicContact CE2-CG2 4.01Å; Y38-T125 WeakPolarHBondContact CE2-OG1 3.46Å; Y38-T125 PolarHBondContact OH-OG1 2.96Å; Y38-W140 HydrophobicContact CE1-CB 4.21Å; Y38-W140 WeakPolarHBondContact OH-CA 3.22Å; Y38-H143 HydrophobicContact CE1-CB 4.49Å; Y38-I144 HydrophobicContact CD1-CD1 3.87Å; Y38-I144 HydrophobicContact CD1-CG1 3.55Å; Y38-I144 HydrophobicContact CE1-CD1 3.97Å; Y38-I144 HydrophobicContact CE1-CG1 3.6Å
39A95.8Very high95.5Very high37 Ų3766.4 Ų66.431%0.30636%0.361SS..Hα-helixtrans-61.8-43.4175.400000111.7S35 A36 L37 C41 I42 L43S35-A39 PolarHBondContact O-N 2.73Å; A36-A39 PolarHBondContact O-N 2.86Å; L37-A39 PolarHBondContact O-N 3.2Å; A39-C41 PolarHBondContact O-N 2.87Å; A39-I42 PolarHBondContact O-N 2.95Å; A39-L43 WeakPolarHBondContact O-CG 3.49Å; A39-L43 PolarHBondContact O-N 3.1Å
40A96.1Very high95.3Very high59 Ų5967.4 Ų67.449%0.48837%0.365SS..Hα-helixtrans-61-43174.500000111.8A36 L37 Y38 I42 L43 G44A36-A40 WeakPolarHBondContact O-CB 3.36Å; A36-A40 PolarHBondContact O-N 3.16Å; L37-A40 PolarHBondContact O-N 3.07Å; Y38-A40 PolarHBondContact O-N 2.64Å; A40-I42 PolarHBondContact O-N 3.23Å; A40-L43 PolarHBondContact O-N 3.19Å; A40-G44 PolarHBondContact O-N 2.91Å
41C94.9Very high95.2Very high68 Ų6871.9 Ų71.946%0.45939%0.387SS..Hα-helixtrans-63-38.5175.6-72.90000112.4L37 Y38 A39 G45 L126L37-C41 WeakPolarHBondContact O-CB 3.26Å; L37-C41 PolarHBondContact O-N 3.17Å; L37-C41 PolarHBondContact O-SG 3.1Å; Y38-C41 PolarHBondContact O-N 3.17Å; A39-C41 PolarHBondContact O-N 2.87Å; C41-G45 VanDerWaalsContact O-CA 3.27Å; C41-G45 WeakPolarHBondContact O-CA 3.42Å; C41-G45 PolarHBondContact O-N 3.25Å; C41-L126 HydrophobicContact CB-CD2 4.26Å
42I95.1Very high95Very high16 Ų1678.8 Ų78.88%0.08241%0.413CS..Hα-helixtrans-62.8-51174.3-70.6166.3000110.3Y38 A39 A40 R46 T125 L135 W140Y38-I42 HydrophobicContact CD1-CD1 3.89Å; Y38-I42 HydrophobicContact CD2-CD1 4.42Å; Y38-I42 HydrophobicContact CE1-CD1 3.4Å; Y38-I42 HydrophobicContact CE2-CD1 4.01Å; Y38-I42 HydrophobicContact CE2-CG1 4.42Å; Y38-I42 HydrophobicContact CG-CD1 4.39Å; Y38-I42 VanDerWaalsContact CZ-CD1 3.49Å; Y38-I42 WeakPolarHBondContact O-CG1 3.23Å; Y38-I42 PolarHBondContact O-N 3.31Å; A39-I42 PolarHBondContact O-N 2.95Å; A40-I42 PolarHBondContact O-N 3.23Å; I42-R46 VanDerWaalsContact O-CB 3.29Å; I42-R46 WeakPolarHBondContact O-CB 3.5Å; I42-R46 WeakPolarHBondContact O-CG 3.49Å; I42-R46 PolarHBondContact O-N 2.91Å; I42-T125 HydrophobicContact CD1-CG2 3.9Å; I42-T125 HydrophobicContact CG1-CG2 3.68Å; I42-L135 HydrophobicContact CD1-CD2 4.22Å; I42-L135 HydrophobicContact CG1-CD2 4.22Å; I42-L135 HydrophobicContact CG2-CD2 3.59Å; I42-W140 HydrophobicContact CD1-CB 3.88Å
43L94.8Very high94.7Very high126 Ų12681.6 Ų81.666%0.6643%0.428SS*.Hα-helixtrans-66.8-50-175.8-66.2175.7000111.3A39 A40 R46 H47A39-L43 WeakPolarHBondContact O-CG 3.49Å; A39-L43 PolarHBondContact O-N 3.1Å; A40-L43 PolarHBondContact O-N 3.19Å; L43-R46 PolarHBondContact O-N 3.46Å; L43-H47 PolarHBondContact O-N 3.37Å
44G94.9Very high94.6Very high36 Ų3682.7 Ų82.737%0.37143%0.429SS..Hα-helixtrans-63.4-46.3177.100000112.1A40 R46 H47 V48A40-G44 PolarHBondContact O-N 2.91Å; G44-R46 PolarHBondContact O-N 3.19Å; G44-H47 WeakPolarHBondContact O-CB 3.03Å; G44-H47 PolarHBondContact O-N 2.86Å; G44-H47 VanDerWaalsContact O-N 3.12Å; G44-V48 WeakPolarHBondContact O-CG2 3.43Å; G44-V48 PolarHBondContact O-N 3.31Å
45G93.1Very high94.3Very high19 Ų1983.5 Ų83.520%0.19643%0.432CS..Hα-helixtrans-59.9-43.6176.700000112.1C41 H47 M49 V129C41-G45 VanDerWaalsContact O-CA 3.27Å; C41-G45 WeakPolarHBondContact O-CA 3.42Å; C41-G45 PolarHBondContact O-N 3.25Å; G45-H47 VanDerWaalsContact C-N 3.35Å; G45-H47 PolarHBondContact O-N 3.33Å; G45-M49 VanDerWaalsContact O-CB 3.22Å; G45-M49 WeakPolarHBondContact O-CB 3.26Å; G45-M49 WeakPolarHBondContact O-CG 3.43Å; G45-M49 PolarHBondContact O-N 3.44Å; G45-V129 VanDerWaalsContact C-CG1 3.46Å
46R93.4Very high94.1Very high143 Ų14389.3 Ų89.354%0.5446%0.458SS..Hα-helixtrans-63.8-39.2174.3-74.9-179.976.2175.13.6112.2I42 L43 G44 K50 V129I42-R46 VanDerWaalsContact O-CB 3.29Å; I42-R46 WeakPolarHBondContact O-CB 3.5Å; I42-R46 WeakPolarHBondContact O-CG 3.49Å; I42-R46 PolarHBondContact O-N 2.91Å; L43-R46 PolarHBondContact O-N 3.46Å; G44-R46 PolarHBondContact O-N 3.19Å; R46-K50 WeakPolarHBondContact O-CG 3.45Å; R46-K50 PolarHBondContact O-N 2.86Å; R46-V129 HydrophobicContact CG-CG1 4.18Å; R46-V129 HydrophobicContact CG-CG2 4.29Å
47H94.1Very high93.8Very high125 Ų12588.3 Ų88.358%0.57944%0.444SS*.Hα-helixtrans-64.2-51.5177.9-17589.7000111.5L43 G44 G45 M49 K50L43-H47 PolarHBondContact O-N 3.37Å; G44-H47 WeakPolarHBondContact O-CB 3.03Å; G44-H47 PolarHBondContact O-N 2.86Å; G44-H47 VanDerWaalsContact O-N 3.12Å; G45-H47 VanDerWaalsContact C-N 3.35Å; G45-H47 PolarHBondContact O-N 3.33Å; H47-M49 VanDerWaalsContact C-N 3.34Å; H47-M49 PolarHBondContact O-N 3.46Å; H47-K50 WeakPolarHBondContact O-CB 3.37Å; H47-K50 PolarHBondContact O-N 2.95Å; H47-K50 VanDerWaalsContact O-N 3.16Å
48V94.9Very high93.6Very high73 Ų7389.9 Ų89.944%0.44244%0.444SS..Hα-helixtrans-61.9-42.3179.1172.90000111.4G44 K50 Q51G44-V48 WeakPolarHBondContact O-CG2 3.43Å; G44-V48 PolarHBondContact O-N 3.31Å; V48-K50 PolarHBondContact O-N 3.49Å; V48-Q51 PolarHBondContact O-N 3.06Å
49M94.3Very high93.5Very high9 Ų998.2 Ų98.24%0.04448%0.48CS..Hα-helixtrans-68.7-14.4180-69.8-60.2-60.700113.2G45 H47 Q51 R52 E53 F55 V129 L130 K132G45-M49 VanDerWaalsContact O-CB 3.22Å; G45-M49 WeakPolarHBondContact O-CB 3.26Å; G45-M49 WeakPolarHBondContact O-CG 3.43Å; G45-M49 PolarHBondContact O-N 3.44Å; H47-M49 VanDerWaalsContact C-N 3.34Å; H47-M49 PolarHBondContact O-N 3.46Å; M49-Q51 PolarHBondContact O-N 3.08Å; M49-R52 PolarHBondContact O-N 2.87Å; M49-R52 HydrophobicContact SD-CB 4.32Å; M49-E53 VanDerWaalsContact CE-O 3.24Å; M49-E53 WeakPolarHBondContact CE-O 3.49Å; M49-F55 HydrophobicContact CE-CD2 3.73Å; M49-F55 HydrophobicContact CE-CE2 3.94Å; M49-F55 HydrophobicContact SD-CD2 3.85Å; M49-F55 HydrophobicContact SD-CE2 3.53Å; M49-F55 VanDerWaalsContact SD-CE2 3.53Å; M49-V129 HydrophobicContact CG-CG1 4.32Å; M49-L130 WeakPolarHBondContact CE-O 3.25Å; M49-L130 HydrophobicContact CG-CD2 4.44Å; M49-L130 HydrophobicContact SD-CD2 4.01Å; M49-K132 HydrophobicContact CE-CG 3.93Å; M49-K132 WeakPolarHBondContact O-CE 3.35Å; M49-K132 PolarHBondContact O-NZ 3.33Å
50K91.4Very high93.5Very high161 Ų16199.4 Ų99.470%0.749%0.485SS*.Hα-helixtrans-58.1-40.2174.1-76.5175.4-178.2-175.30111.7R46 H47 V48R46-K50 WeakPolarHBondContact O-CG 3.45Å; R46-K50 PolarHBondContact O-N 2.86Å; H47-K50 WeakPolarHBondContact O-CB 3.37Å; H47-K50 PolarHBondContact O-N 2.95Å; H47-K50 VanDerWaalsContact O-N 3.16Å; V48-K50 PolarHBondContact O-N 3.49Å
51Q93.1Very high93.4Very high181 Ų18197.7 Ų97.785%0.84647%0.468SS*.Hα-helixtrans-93-8.6-175.7-64.6-179.2-8.900114.1V48 M49V48-Q51 PolarHBondContact O-N 3.06Å; M49-Q51 PolarHBondContact O-N 3.08Å
52R91.6Very high93.5Very high145 Ų14596.2 Ų96.255%0.54746%0.456SS..SBendtrans-105.5157.6-178.4-65.3-172.1178.1-123.40.6111.8M49 K132M49-R52 PolarHBondContact O-N 2.87Å; M49-R52 HydrophobicContact SD-CB 4.32Å; R52-K132 WeakPolarHBondContact O-CE 3.27Å; R52-K132 PolarHBondContact O-NZ 3.28Å
53E91.4Very high93.6Very high171 Ų171101 Ų10180%0.79948%0.481SS*.PPolyproline II helixtrans-72.7164.9169.4-63.3-166.6157.400111.8M49M49-E53 VanDerWaalsContact CE-O 3.24Å; M49-E53 WeakPolarHBondContact CE-O 3.49Å
54K93.3Very high93.7Very high127 Ų12798.4 Ų98.455%0.55246%0.463SS*.PPolyproline II helixtrans-65.4139.6175.461.9177-177.1163.90109.6E56 K132K54-E56 WeakPolarHBondContact CE-OE1 3.5Å; K54-E56 IonicContact NZ-OE1 3.89Å; K54-E56 PolarHBondContact NZ-OE1 3.38Å; K54-K132 HydrophobicContact CB-CB 4.37Å; K54-K132 HydrophobicContact CB-CD 4.27Å; K54-K132 HydrophobicContact CB-CG 4.25Å
55F92.1Very high93.8Very high86 Ų8696.8 Ų96.838%0.37745%0.446SS..PPolyproline II helixtrans-83.6138.2173.2-69.9-80.7000111.6M49 L57 L130M49-F55 HydrophobicContact CE-CD2 3.73Å; M49-F55 HydrophobicContact CE-CE2 3.94Å; M49-F55 HydrophobicContact SD-CD2 3.85Å; M49-F55 HydrophobicContact SD-CE2 3.53Å; M49-F55 VanDerWaalsContact SD-CE2 3.53Å; F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 HydrophobicContact CB-CD1 4.04Å; F55-L57 HydrophobicContact CB-CD2 4.23Å; F55-L57 HydrophobicContact CB-CG 3.73Å; F55-L57 PolarHBondContact O-N 2.86Å; F55-L57 VanDerWaalsContact O-N 3.08Å; F55-L130 HydrophobicContact CD2-CB 4.17Å; F55-L130 HydrophobicContact CD2-CD2 4.13Å; F55-L130 HydrophobicContact CE2-CD2 4.19Å; F55-L130 PolarHBondContact N-O 3.28Å
56E91.4Very high94Very high133 Ų133100 Ų10062%0.62146%0.458SS*.  trans-85.270.2174.1-69.6-61.3148.200110.9K54 R58K54-E56 WeakPolarHBondContact CE-OE1 3.5Å; K54-E56 IonicContact NZ-OE1 3.89Å; K54-E56 PolarHBondContact NZ-OE1 3.38Å; E56-R58 PolarHBondContact O-N 3.29Å
57L92.1Very high94.3Very high39 Ų3997.2 Ų97.220%0.20446%0.457CS..  trans-8731.2-177.2-61173.6000113.5F55 P60 L61 F127 L130 R131F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 HydrophobicContact CB-CD1 4.04Å; F55-L57 HydrophobicContact CB-CD2 4.23Å; F55-L57 HydrophobicContact CB-CG 3.73Å; F55-L57 PolarHBondContact O-N 2.86Å; F55-L57 VanDerWaalsContact O-N 3.08Å; L57-P60 WeakPolarHBondContact O-CD 3.4Å; L57-L61 WeakPolarHBondContact O-CB 3.15Å; L57-L61 PolarHBondContact O-N 3.45Å; L57-F127 HydrophobicContact CB-CD1 4.03Å; L57-F127 HydrophobicContact CB-CE1 4.18Å; L57-F127 HydrophobicContact CD1-CD1 4.04Å; L57-F127 HydrophobicContact CD1-CE1 4.38Å; L57-L130 HydrophobicContact CD1-CB 3.62Å; L57-L130 HydrophobicContact CD1-CD1 3.76Å; L57-L130 HydrophobicContact CD1-CG 4.36Å; L57-R131 HydrophobicContact CB-CG 4.29Å; L57-R131 HydrophobicContact CD1-CG 4.45Å
58R91.2Very high94.4Very high123 Ų12391.8 Ų91.846%0.46443%0.432SS..Hα-helixtrans-65.1-49.1-172.3-172.2172.1171.3-171-12.2112.8E56 L61 V62 A183 A184E56-R58 PolarHBondContact O-N 3.29Å; R58-L61 PolarHBondContact O-N 2.87Å; R58-V62 WeakPolarHBondContact O-CG2 3.2Å; R58-V62 PolarHBondContact O-N 3.47Å; R58-A183 WeakPolarHBondContact CD-O 3.14Å; R58-A183 WeakPolarHBondContact CG-O 3.47Å; R58-A183 PolarHBondContact NE-O 3.49Å; R58-A184 VanDerWaalsContact NH2-C 3.32Å; R58-A184 PolarHBondContact NH2-O 3.05Å
59K93.8Very high94.6Very high185 Ų18588.4 Ų88.480%0.80441%0.412SS*.Hα-helixtrans-63.8-48.2179.5-60.7179.4-179.4179.60112.2L61 V62 L63K59-L61 VanDerWaalsContact C-N 3.3Å; K59-L61 PolarHBondContact O-N 3.21Å; K59-V62 PolarHBondContact O-N 3.21Å; K59-L63 PolarHBondContact O-N 2.89Å; K59-L63 VanDerWaalsContact O-N 3.08Å
60P96.1Very high94.8Very high63 Ų6391 Ų9141%0.40943%0.428SS..Hα-helixtrans-58.3-40.1173.9-26.435.7000113.1L57 L63 W64 F127L57-P60 WeakPolarHBondContact O-CD 3.4Å; P60-L63 PolarHBondContact O-N 2.77Å; P60-W64 WeakPolarHBondContact O-CB 3.34Å; P60-W64 PolarHBondContact O-N 2.82Å; P60-F127 HydrophobicContact CB-CE1 3.99Å; P60-F127 HydrophobicContact CB-CZ 4.31Å
61L94.9Very high95.1Very high23 Ų2385.6 Ų85.612%0.1241%0.405CS..Hα-helixtrans-64.4-40177.5179.462.7000112.4L57 R58 K59 S65 F127 A183L57-L61 WeakPolarHBondContact O-CB 3.15Å; L57-L61 PolarHBondContact O-N 3.45Å; R58-L61 PolarHBondContact O-N 2.87Å; K59-L61 VanDerWaalsContact C-N 3.3Å; K59-L61 PolarHBondContact O-N 3.21Å; L61-S65 WeakPolarHBondContact O-CB 3.42Å; L61-S65 PolarHBondContact O-N 3.48Å; L61-S65 PolarHBondContact O-OG 3.34Å; L61-S65 VanDerWaalsContact O-OG 3.14Å; L61-F127 HydrophobicContact CB-CD1 4.18Å; L61-F127 HydrophobicContact CB-CE1 4.28Å; L61-F127 HydrophobicContact CD1-CB 4.09Å; L61-F127 HydrophobicContact CD1-CD1 4.24Å; L61-F127 HydrophobicContact CD1-CD2 4.07Å; L61-F127 HydrophobicContact CD1-CG 3.87Å; L61-A183 HydrophobicContact CD2-CB 4.05Å; L61-A183 HydrophobicContact CG-CB 3.96Å
62V96.4Very high95.3Very high37 Ų3777.1 Ų77.122%0.22437%0.365CS..Hα-helixtrans-59.9-51.5174.5172.40000110.4R58 K59 W64 S65 L66 A183 A184R58-V62 WeakPolarHBondContact O-CG2 3.2Å; R58-V62 PolarHBondContact O-N 3.47Å; K59-V62 PolarHBondContact O-N 3.21Å; V62-W64 VanDerWaalsContact C-N 3.34Å; V62-W64 PolarHBondContact O-N 3.36Å; V62-S65 PolarHBondContact O-N 3.05Å; V62-L66 WeakPolarHBondContact O-CB 3.23Å; V62-L66 PolarHBondContact O-N 3.45Å; V62-A183 HydrophobicContact CB-CB 4.41Å; V62-A183 HydrophobicContact CG2-CB 3.47Å; V62-A183 VanDerWaalsContact CG2-CB 3.47Å; V62-A183 WeakPolarHBondContact CG2-O 3.14Å; V62-A184 HydrophobicContact CG1-CB 4.4Å; V62-A184 HydrophobicContact CG2-CB 4.14Å; V62-A184 VanDerWaalsContact CG2-N 3.29Å
63L97.2Very high95.6Very high115 Ų11573.2 Ų73.260%0.60236%0.355SS*.Hα-helixtrans-60.4-46.9-179.2-179.260.9000110.7K59 P60 L66 T67K59-L63 PolarHBondContact O-N 2.89Å; K59-L63 VanDerWaalsContact O-N 3.08Å; P60-L63 PolarHBondContact O-N 2.77Å; L63-L66 PolarHBondContact O-N 3.43Å; L63-T67 PolarHBondContact O-N 3.46Å; L63-T67 PolarHBondContact O-OG1 2.58Å; L63-T67 VanDerWaalsContact O-OG1 3.08Å
64W97.6Very high95.9Very high72 Ų7269.9 Ų69.927%0.27334%0.338SS..Hα-helixtrans-57.4-54.2177.4178.2-96.3000112.7P60 V62 L66 T67 L68 P120 D124 F127P60-W64 WeakPolarHBondContact O-CB 3.34Å; P60-W64 PolarHBondContact O-N 2.82Å; V62-W64 VanDerWaalsContact C-N 3.34Å; V62-W64 PolarHBondContact O-N 3.36Å; W64-L66 VanDerWaalsContact C-N 3.29Å; W64-L66 PolarHBondContact O-N 3.12Å; W64-T67 PolarHBondContact O-N 3.48Å; W64-L68 HydrophobicContact CZ2-CD1 4.07Å; W64-L68 PolarHBondContact O-N 2.81Å; W64-P120 HydrophobicContact CH2-CB 4.11Å; W64-P120 VanDerWaalsContact CH2-O 3.23Å; W64-P120 WeakPolarHBondContact CH2-O 3.49Å; W64-P120 WeakPolarHBondContact CZ2-O 3.05Å; W64-D124 PolarHBondContact NE1-OD1 3.22Å; W64-F127 HydrophobicContact CB-CE2 3.9Å; W64-F127 HydrophobicContact CB-CZ 4.07Å; W64-F127 AromaticContact CD1-CE2 3.71Å; W64-F127 AromaticContact CD2-CE2 3.83Å; W64-F127 HydrophobicContact CD2-CE2 3.83Å; W64-F127 HydrophobicContact CE3-CE2 4.46Å; W64-F127 HydrophobicContact CG-CD2 4.35Å; W64-F127 AromaticContact CG-CE2 3.53Å; W64-F127 HydrophobicContact CG-CE2 3.53Å; W64-F127 HydrophobicContact CG-CZ 4.17Å
65S97.1Very high96Very high3 Ų363.8 Ų63.82%0.02131%0.311CS..Hα-helixtrans-63.5-35.4178.3-64.60000112.1L61 V62 A69L61-S65 WeakPolarHBondContact O-CB 3.42Å; L61-S65 PolarHBondContact O-N 3.48Å; L61-S65 PolarHBondContact O-OG 3.34Å; L61-S65 VanDerWaalsContact O-OG 3.14Å; V62-S65 PolarHBondContact O-N 3.05Å; S65-A69 VanDerWaalsContact O-CB 3.27Å; S65-A69 WeakPolarHBondContact O-CB 3.33Å; S65-A69 PolarHBondContact O-N 2.83Å
66L97.5Very high96.3Very high87 Ų8760.4 Ų60.446%0.45530%0.299SS..Hα-helixtrans-67.5-42.9176.6-177.862.7000111.4V62 L63 W64 L68 A69 V70 A180V62-L66 WeakPolarHBondContact O-CB 3.23Å; V62-L66 PolarHBondContact O-N 3.45Å; L63-L66 PolarHBondContact O-N 3.43Å; W64-L66 VanDerWaalsContact C-N 3.29Å; W64-L66 PolarHBondContact O-N 3.12Å; L66-L68 PolarHBondContact O-N 3.27Å; L66-A69 WeakPolarHBondContact O-CB 2.96Å; L66-A69 PolarHBondContact O-N 3.08Å; L66-V70 HydrophobicContact CD1-CG2 4.3Å; L66-V70 HydrophobicContact CG-CG2 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.34Å; L66-V70 PolarHBondContact O-N 3.33Å; L66-A180 HydrophobicContact CB-CB 4.29Å
67T97.9Very high96.5Very high83 Ų8358.5 Ų58.551%0.50929%0.292SS..Hα-helixtrans-59.9-46.6175.7-64.30000111.1L63 W64 A69 V70 F71L63-T67 PolarHBondContact O-N 3.46Å; L63-T67 PolarHBondContact O-OG1 2.58Å; L63-T67 VanDerWaalsContact O-OG1 3.08Å; W64-T67 PolarHBondContact O-N 3.48Å; T67-A69 VanDerWaalsContact C-N 3.33Å; T67-A69 PolarHBondContact O-N 3.34Å; T67-V70 PolarHBondContact O-N 2.94Å; T67-F71 VanDerWaalsContact O-CB 3.3Å; T67-F71 WeakPolarHBondContact O-CB 3.35Å; T67-F71 PolarHBondContact O-N 2.87Å
68L97.8Very high96.6Very high12 Ų1256.9 Ų56.96%0.06328%0.283CS..Hα-helixtrans-66.5-34176.7-68178.3000112.5W64 L66 S72 E121 Y176W64-L68 HydrophobicContact CZ2-CD1 4.07Å; W64-L68 PolarHBondContact O-N 2.81Å; L66-L68 PolarHBondContact O-N 3.27Å; L68-S72 VanDerWaalsContact O-CB 3.26Å; L68-S72 WeakPolarHBondContact O-CB 3.48Å; L68-S72 PolarHBondContact O-N 3.34Å; L68-S72 PolarHBondContact O-OG 3.15Å; L68-E121 HydrophobicContact CD2-CG 4.48Å; L68-Y176 HydrophobicContact CB-CD1 3.88Å; L68-Y176 HydrophobicContact CB-CD2 3.75Å; L68-Y176 HydrophobicContact CB-CE1 4.11Å; L68-Y176 HydrophobicContact CB-CE2 3.96Å; L68-Y176 HydrophobicContact CB-CG 3.73Å; L68-Y176 HydrophobicContact CD1-CD1 4.06Å; L68-Y176 HydrophobicContact CD1-CE1 3.48Å; L68-Y176 VanDerWaalsContact CD1-CE1 3.48Å; L68-Y176 HydrophobicContact CD1-CE2 4.09Å; L68-Y176 HydrophobicContact CG-CE1 4.45Å
69A98Very high96.8Very high1 Ų151 Ų511%0.00826%0.261CS..Hα-helixtrans-64.1-51.417400000111.3S65 L66 T67 F71 S72 I73S65-A69 VanDerWaalsContact O-CB 3.27Å; S65-A69 WeakPolarHBondContact O-CB 3.33Å; S65-A69 PolarHBondContact O-N 2.83Å; L66-A69 WeakPolarHBondContact O-CB 2.96Å; L66-A69 PolarHBondContact O-N 3.08Å; T67-A69 VanDerWaalsContact C-N 3.33Å; T67-A69 PolarHBondContact O-N 3.34Å; A69-F71 PolarHBondContact O-N 2.88Å; A69-S72 PolarHBondContact O-N 2.98Å; A69-I73 WeakPolarHBondContact O-CB 3.27Å; A69-I73 WeakPolarHBondContact O-CD1 3.44Å; A69-I73 WeakPolarHBondContact O-CG1 3.2Å; A69-I73 PolarHBondContact O-N 3.42Å
70V98.1Very high96.8Very high64 Ų6443.2 Ų43.239%0.38823%0.233SC..Hα-helixtrans-59.3-50178.7171.20000110.4L66 T67 S72 I73 F74L66-V70 HydrophobicContact CD1-CG2 4.3Å; L66-V70 HydrophobicContact CG-CG2 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.34Å; L66-V70 PolarHBondContact O-N 3.33Å; T67-V70 PolarHBondContact O-N 2.94Å; V70-S72 VanDerWaalsContact C-N 3.29Å; V70-S72 PolarHBondContact O-N 3.16Å; V70-I73 PolarHBondContact O-N 3.36Å; V70-F74 HydrophobicContact CG1-CD2 3.69Å; V70-F74 HydrophobicContact CG1-CE2 3.68Å; V70-F74 VanDerWaalsContact O-CD2 3.3Å; V70-F74 WeakPolarHBondContact O-CD2 3.31Å; V70-F74 PolarHBondContact O-N 3.02Å
71F98Very high96.7Very high48 Ų4841.7 Ų41.721%0.21122%0.224CC..Hα-helixtrans-52.5-47.9175.2171.8-107.6000111.8T67 A69 G75 W110 A113 S117 Y169T67-F71 VanDerWaalsContact O-CB 3.3Å; T67-F71 WeakPolarHBondContact O-CB 3.35Å; T67-F71 PolarHBondContact O-N 2.87Å; A69-F71 PolarHBondContact O-N 2.88Å; F71-G75 PolarHBondContact O-N 2.65Å; F71-W110 HydrophobicContact CD2-CZ3 4.15Å; F71-W110 HydrophobicContact CE2-CE3 4.42Å; F71-W110 HydrophobicContact CE2-CZ3 4.08Å; F71-A113 HydrophobicContact CE2-CB 3.89Å; F71-A113 HydrophobicContact CZ-CB 4.01Å; F71-S117 VanDerWaalsContact CE1-CB 3.42Å; F71-Y169 HydrophobicContact CD1-CE1 4.19Å; F71-Y169 AromaticContact CE1-CE1 3.56Å; F71-Y169 HydrophobicContact CE1-CE1 3.56Å; F71-Y169 AromaticContact CZ-CE1 3.78Å; F71-Y169 HydrophobicContact CZ-CE1 3.78Å; F71-Y169 WeakPolarHBondContact CZ-OH 3.44Å
72S98.1Very high96.6Very high2 Ų241.2 Ų41.21%0.01422%0.221CC..Hα-helixtrans-70.7-33.9-178.1-56.30000113.2L68 A69 V70 A76L68-S72 VanDerWaalsContact O-CB 3.26Å; L68-S72 WeakPolarHBondContact O-CB 3.48Å; L68-S72 PolarHBondContact O-N 3.34Å; L68-S72 PolarHBondContact O-OG 3.15Å; A69-S72 PolarHBondContact O-N 2.98Å; V70-S72 VanDerWaalsContact C-N 3.29Å; V70-S72 PolarHBondContact O-N 3.16Å; S72-A76 WeakPolarHBondContact O-CB 3.14Å; S72-A76 PolarHBondContact O-N 3.15Å
73I98.1Very high96.5Very high64 Ų6439.9 Ų39.933%0.32821%0.212SC..Hα-helixtrans-64.6-50175.9-71.5162.7000110.1A69 V70 A76 I77 A173A69-I73 WeakPolarHBondContact O-CB 3.27Å; A69-I73 WeakPolarHBondContact O-CD1 3.44Å; A69-I73 WeakPolarHBondContact O-CG1 3.2Å; A69-I73 PolarHBondContact O-N 3.42Å; V70-I73 PolarHBondContact O-N 3.36Å; I73-A76 PolarHBondContact O-N 3.47Å; I73-I77 HydrophobicContact CG2-CD1 3.8Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.5Å; I73-I77 PolarHBondContact O-N 3.08Å; I73-A173 HydrophobicContact CB-CB 4.46Å; I73-A173 HydrophobicContact CG1-CB 3.69Å
74F96.5Very high96.4Very high100 Ų10039.3 Ų39.344%0.43921%0.208SC..Hα-helixtrans-63-44.8177.7-80.1-78.2000111V70 A76 I77 R78 W110V70-F74 HydrophobicContact CG1-CD2 3.69Å; V70-F74 HydrophobicContact CG1-CE2 3.68Å; V70-F74 VanDerWaalsContact O-CD2 3.3Å; V70-F74 WeakPolarHBondContact O-CD2 3.31Å; V70-F74 PolarHBondContact O-N 3.02Å; F74-A76 PolarHBondContact O-N 3.14Å; F74-I77 PolarHBondContact O-N 3.42Å; F74-R78 WeakPolarHBondContact O-CB 3.3Å; F74-R78 VanDerWaalsContact O-CG 3.23Å; F74-R78 WeakPolarHBondContact O-CG 3.39Å; F74-R78 PolarHBondContact O-N 3.45Å; F74-W110 HydrophobicContact CB-CH2 3.37Å; F74-W110 HydrophobicContact CB-CZ2 3.96Å; F74-W110 HydrophobicContact CB-CZ3 4.03Å; F74-W110 HydrophobicContact CG-CH2 4.45Å
75G96.7Very high96.1Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-55.1-48.9173.700000112.4F71 I77 R78 T79F71-G75 PolarHBondContact O-N 2.65Å; G75-I77 PolarHBondContact O-N 3.3Å; G75-R78 PolarHBondContact O-N 3.4Å; G75-T79 WeakPolarHBondContact O-CB 3.23Å; G75-T79 WeakPolarHBondContact O-CG2 3.33Å; G75-T79 PolarHBondContact O-N 3.42Å; G75-T79 PolarHBondContact O-OG1 3.24Å; G75-T79 VanDerWaalsContact O-OG1 3.04Å
76A97.3Very high95.9Very high14 Ų1440.1 Ų40.112%0.11621%0.213CC..Hα-helixtrans-61.8-41.7179.600000112.8S72 I73 F74 G80 L170S72-A76 WeakPolarHBondContact O-CB 3.14Å; S72-A76 PolarHBondContact O-N 3.15Å; I73-A76 PolarHBondContact O-N 3.47Å; F74-A76 PolarHBondContact O-N 3.14Å; A76-G80 WeakPolarHBondContact O-CA 3.44Å; A76-G80 PolarHBondContact O-N 3.09Å; A76-L170 HydrophobicContact CB-CB 4.37Å
77I95.6Very high95.7Very high93 Ų9338.8 Ų38.848%0.47721%0.206SC..Hα-helixtrans-65.6-47.8178.3-68.8167000110.1I73 F74 G75 S81I73-I77 HydrophobicContact CG2-CD1 3.8Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.5Å; I73-I77 PolarHBondContact O-N 3.08Å; F74-I77 PolarHBondContact O-N 3.42Å; G75-I77 PolarHBondContact O-N 3.3Å; I77-S81 VanDerWaalsContact O-CB 3.29Å; I77-S81 WeakPolarHBondContact O-CB 3.39Å; I77-S81 PolarHBondContact O-N 3.46Å; I77-S81 PolarHBondContact O-OG 3.06Å
78R93.9Very high95.5Very high5 Ų540.6 Ų40.62%0.01921%0.21CC..Hα-helixtrans-70.7-52-174.7-62.2-61.7-71.4171.8-2.2111.7A5 Q7 E12 F74 G75 S81 Y82 V106 W110A5-R78 PolarHBondContact O-NH1 3.49Å; Q7-R78 PolarHBondContact O-NH1 3.01Å; Q7-R78 PolarHBondContact O-NH2 3.37Å; E12-R78 IonicContact OE1-CZ 3.34Å; E12-R78 IonicContact OE1-NE 2.88Å; E12-R78 PolarHBondContact OE1-NE 3.37Å; E12-R78 IonicContact OE1-NH2 3.8Å; E12-R78 PolarHBondContact OE1-NH2 3.05Å; E12-R78 IonicContact OE2-CZ 3.82Å; E12-R78 IonicContact OE2-NE 3.38Å; E12-R78 IonicContact OE2-NH2 3.55Å; E12-R78 PolarHBondContact OE2-NH2 3.31Å; F74-R78 WeakPolarHBondContact O-CB 3.3Å; F74-R78 VanDerWaalsContact O-CG 3.23Å; F74-R78 WeakPolarHBondContact O-CG 3.39Å; F74-R78 PolarHBondContact O-N 3.45Å; G75-R78 PolarHBondContact O-N 3.4Å; R78-S81 PolarHBondContact O-N 3.23Å; R78-Y82 PolarHBondContact O-N 3.2Å; R78-V106 HydrophobicContact CB-CG1 3.88Å; R78-W110 HydrophobicContact CB-CD2 4.37Å; R78-W110 HydrophobicContact CB-CG 4.19Å; R78-W110 HydrophobicContact CG-CZ2 3.99Å
79T95.6Very high95.3Very high0 Ų043.2 Ų43.20%023%0.23CC..Hα-helixtrans-70.4-35178.473.20000111.6G75 Y82 M83 F101 W110 T166 Y169G75-T79 WeakPolarHBondContact O-CB 3.23Å; G75-T79 WeakPolarHBondContact O-CG2 3.33Å; G75-T79 PolarHBondContact O-N 3.42Å; G75-T79 PolarHBondContact O-OG1 3.24Å; G75-T79 VanDerWaalsContact O-OG1 3.04Å; T79-Y82 PolarHBondContact O-N 2.99Å; T79-M83 WeakPolarHBondContact O-CB 3.49Å; T79-M83 VanDerWaalsContact O-CG 3.25Å; T79-M83 WeakPolarHBondContact O-CG 3.2Å; T79-M83 PolarHBondContact O-N 3.48Å; T79-F101 HydrophobicContact CG2-CE2 4.24Å; T79-F101 HydrophobicContact CG2-CZ 3.73Å; T79-W110 HydrophobicContact CG2-CB 3.57Å; T79-W110 HydrophobicContact CG2-CG 4.28Å; T79-T166 VanDerWaalsContact CB-OG1 3.27Å; T79-T166 WeakPolarHBondContact CB-OG1 3.36Å; T79-T166 WeakPolarHBondContact OG1-CA 3.46Å; T79-T166 WeakPolarHBondContact OG1-CB 3.13Å; T79-T166 PolarHBondContact OG1-OG1 3.44Å; T79-Y169 HydrophobicContact CG2-CD2 4.19Å; T79-Y169 HydrophobicContact CG2-CE2 4.1Å
80G95Very high94.9Very high22 Ų2249 Ų4923%0.22725%0.254CS..Hα-helixtrans-63.1-42175.400000113.2A76 M83 M84A76-G80 WeakPolarHBondContact O-CA 3.44Å; A76-G80 PolarHBondContact O-N 3.09Å; G80-M83 PolarHBondContact O-N 3.41Å; G80-M84 VanDerWaalsContact O-CB 3.25Å; G80-M84 WeakPolarHBondContact O-CB 3.35Å; G80-M84 PolarHBondContact O-N 3.36Å
81S93.4Very high94.8Very high30 Ų3047.3 Ų47.321%0.2125%0.25CS..Hα-helixtrans-63.4-42.7175.9-59.90000111.6I77 R78 F85I77-S81 VanDerWaalsContact O-CB 3.29Å; I77-S81 WeakPolarHBondContact O-CB 3.39Å; I77-S81 PolarHBondContact O-N 3.46Å; I77-S81 PolarHBondContact O-OG 3.06Å; R78-S81 PolarHBondContact O-N 3.23Å; S81-F85 WeakPolarHBondContact O-CB 3.37Å; S81-F85 PolarHBondContact O-N 3.17Å
82Y93.2Very high94.6Very high14 Ų1449 Ų496%0.05526%0.261CS..Hα-helixtrans-61.7-50.4174.3179-87.2000112R78 T79 M84 F85 I86 D98 S100 F101R78-Y82 PolarHBondContact O-N 3.2Å; T79-Y82 PolarHBondContact O-N 2.99Å; Y82-M84 VanDerWaalsContact C-N 3.34Å; Y82-M84 PolarHBondContact O-N 3.21Å; Y82-F85 WeakPolarHBondContact O-CB 3.48Å; Y82-F85 PolarHBondContact O-N 3.3Å; Y82-I86 HydrophobicContact CD1-CG1 4.24Å; Y82-I86 HydrophobicContact CE1-CG1 3.71Å; Y82-I86 HydrophobicContact CE2-CG1 4.36Å; Y82-I86 PolarHBondContact O-N 3.23Å; Y82-D98 VanDerWaalsContact CE1-OD2 3.31Å; Y82-D98 WeakPolarHBondContact CE1-OD2 3.3Å; Y82-D98 PolarHBondContact OH-OD2 3.37Å; Y82-S100 PolarHBondContact OH-OG 2.96Å; Y82-F101 AromaticContact CD1-CD2 3.61Å; Y82-F101 HydrophobicContact CD1-CD2 3.61Å; Y82-F101 HydrophobicContact CD1-CE2 4.13Å; Y82-F101 HydrophobicContact CE1-CB 4.21Å; Y82-F101 AromaticContact CE1-CD2 3.74Å; Y82-F101 HydrophobicContact CE1-CD2 3.74Å; Y82-F101 HydrophobicContact CE1-CG 4.45Å
83M94.7Very high94.3Very high8 Ų852.8 Ų52.84%0.03928%0.277CS..Hα-helixtrans-63.1-40.7-178.9-71.4-56.8-6300112T79 G80 F85 I86 L87 S95 F101 W163 T166T79-M83 WeakPolarHBondContact O-CB 3.49Å; T79-M83 VanDerWaalsContact O-CG 3.25Å; T79-M83 WeakPolarHBondContact O-CG 3.2Å; T79-M83 PolarHBondContact O-N 3.48Å; G80-M83 PolarHBondContact O-N 3.41Å; M83-F85 VanDerWaalsContact C-N 3.35Å; M83-I86 PolarHBondContact O-N 3.32Å; M83-L87 WeakPolarHBondContact O-CB 3.39Å; M83-L87 PolarHBondContact O-N 3.2Å; M83-S95 WeakPolarHBondContact CE-O 3.37Å; M83-F101 HydrophobicContact CG-CD2 4.39Å; M83-F101 HydrophobicContact CG-CE2 4.05Å; M83-F101 HydrophobicContact SD-CD2 3.65Å; M83-F101 HydrophobicContact SD-CE2 3.88Å; M83-W163 HydrophobicContact CE-CB 4.48Å; M83-W163 HydrophobicContact CE-CD2 3.95Å; M83-W163 HydrophobicContact CE-CG 3.71Å; M83-T166 HydrophobicContact CG-CG2 4.3Å; M83-T166 WeakPolarHBondContact CG-OG1 3.49Å
84M93.8Very high94.1Very high104 Ų10453.4 Ų53.451%0.51228%0.279SS..Hα-helixtrans-63.3-41.7175.8-172.8174.2-172.700111.4G80 Y82 L87 M88G80-M84 VanDerWaalsContact O-CB 3.25Å; G80-M84 WeakPolarHBondContact O-CB 3.35Å; G80-M84 PolarHBondContact O-N 3.36Å; Y82-M84 VanDerWaalsContact C-N 3.34Å; Y82-M84 PolarHBondContact O-N 3.21Å; M84-L87 PolarHBondContact O-N 3.23Å; M84-M88 HydrophobicContact CE-SD 3.8Å; M84-M88 HydrophobicContact CG-CG 4.44Å; M84-M88 HydrophobicContact CG-SD 4.01Å; M84-M88 WeakPolarHBondContact O-CB 3.32Å; M84-M88 VanDerWaalsContact O-CG 3.31Å; M84-M88 WeakPolarHBondContact O-CG 3.38Å; M84-M88 PolarHBondContact O-N 3.39Å
85F92.1Very high94Very high86 Ų8648.8 Ų48.838%0.37726%0.259SS..Hα-helixtrans-60.8-49.5175.9172.8-99.9000112L6 S81 Y82 M83 L87 M88 S89L6-F85 HydrophobicContact CD1-CB 3.91Å; L6-F85 HydrophobicContact CD1-CD1 4.36Å; L6-F85 HydrophobicContact CD1-CD2 3.71Å; L6-F85 HydrophobicContact CD1-CE2 4.33Å; L6-F85 HydrophobicContact CD1-CG 3.72Å; L6-F85 HydrophobicContact CD2-CB 4.43Å; S81-F85 WeakPolarHBondContact O-CB 3.37Å; S81-F85 PolarHBondContact O-N 3.17Å; Y82-F85 WeakPolarHBondContact O-CB 3.48Å; Y82-F85 PolarHBondContact O-N 3.3Å; M83-F85 VanDerWaalsContact C-N 3.35Å; F85-L87 PolarHBondContact O-N 2.93Å; F85-M88 PolarHBondContact O-N 3.5Å; F85-S89 VanDerWaalsContact O-CB 3.29Å; F85-S89 WeakPolarHBondContact O-CB 3.45Å; F85-S89 PolarHBondContact O-N 3.03Å; F85-S89 PolarHBondContact O-OG 3.21Å
86I92.6Very high94Very high5 Ų548.9 Ų48.93%0.02626%0.26CS..Hα-helixtrans-64.7-41.2178.7-62.1-63.5000111.1Y82 M83 M88 S89 K90 G91Y82-I86 HydrophobicContact CD1-CG1 4.24Å; Y82-I86 HydrophobicContact CE1-CG1 3.71Å; Y82-I86 HydrophobicContact CE2-CG1 4.36Å; Y82-I86 PolarHBondContact O-N 3.23Å; M83-I86 PolarHBondContact O-N 3.32Å; I86-M88 PolarHBondContact O-N 3.46Å; I86-S89 PolarHBondContact O-N 3.41Å; I86-K90 HydrophobicContact CD1-CD 4.43Å; I86-K90 HydrophobicContact CG2-CB 4.42Å; I86-K90 WeakPolarHBondContact O-CA 3.27Å; I86-K90 PolarHBondContact O-N 2.87Å; I86-G91 PolarHBondContact O-N 2.84Å
87L94.2Very high93.8Very high60 Ų6048.5 Ų48.531%0.31426%0.256SS..Hα-helixtrans-61.5-43.7178-179.962.1000112M83 M84 F85 G91 L92 W163M83-L87 WeakPolarHBondContact O-CB 3.39Å; M83-L87 PolarHBondContact O-N 3.2Å; M84-L87 PolarHBondContact O-N 3.23Å; F85-L87 PolarHBondContact O-N 2.93Å; L87-G91 WeakPolarHBondContact O-CA 3.29Å; L87-G91 PolarHBondContact O-N 3.49Å; L87-G91 VanDerWaalsContact O-N 3.11Å; L87-L92 HydrophobicContact CD1-CB 4.05Å; L87-L92 HydrophobicContact CD1-CD1 3.93Å; L87-W163 HydrophobicContact CD1-CZ2 4.39Å; L87-W163 HydrophobicContact CD2-CH2 4.09Å; L87-W163 HydrophobicContact CD2-CZ2 4.12Å
88M93.4Very high93.6Very high121 Ų12144.5 Ų44.560%0.59624%0.235SC*.Hα-helixtrans-76.4-30.4-179.2-70.9-176.174.600113.5M1 M84 F85 I86M1-M88 HydrophobicContact CE-CB 4.32Å; M1-M88 HydrophobicContact CE-CE 3.74Å; M1-M88 HydrophobicContact CE-CG 4.47Å; M1-M88 HydrophobicContact CE-SD 3.34Å; M1-M88 WeakPolarHBondContact CE-SD 3.34Å; M1-M88 HydrophobicContact SD-SD 3.93Å; M84-M88 HydrophobicContact CE-SD 3.8Å; M84-M88 HydrophobicContact CG-CG 4.44Å; M84-M88 HydrophobicContact CG-SD 4.01Å; M84-M88 WeakPolarHBondContact O-CB 3.32Å; M84-M88 VanDerWaalsContact O-CG 3.31Å; M84-M88 WeakPolarHBondContact O-CG 3.38Å; M84-M88 PolarHBondContact O-N 3.39Å; F85-M88 PolarHBondContact O-N 3.5Å; I86-M88 PolarHBondContact O-N 3.46Å
89S92.4Very high93.6Very high67 Ų6747.6 Ų47.647%0.46925%0.25SS..Hα-helixtrans-91.7-39.1-176.6580000113.6F85 I86F85-S89 VanDerWaalsContact O-CB 3.29Å; F85-S89 WeakPolarHBondContact O-CB 3.45Å; F85-S89 PolarHBondContact O-N 3.03Å; F85-S89 PolarHBondContact O-OG 3.21Å; I86-S89 PolarHBondContact O-N 3.41Å
90K91.3Very high93.3Very high121 Ų12149.5 Ų49.553%0.52626%0.263SS..Hα-helixtrans-117-6.2-173.6-54.5-171.6-175.4178.80113.8I86 Q94I86-K90 HydrophobicContact CD1-CD 4.43Å; I86-K90 HydrophobicContact CG2-CB 4.42Å; I86-K90 WeakPolarHBondContact O-CA 3.27Å; I86-K90 PolarHBondContact O-N 2.87Å; K90-Q94 HydrophobicContact CB-CB 3.62Å; K90-Q94 HydrophobicContact CB-CG 3.69Å; K90-Q94 HydrophobicContact CD-CG 3.69Å; K90-Q94 HydrophobicContact CG-CG 4.34Å
91G94.1Very high93.3Very high29 Ų2948.5 Ų48.530%0.29925%0.253SS..Hα-helixtrans84.8176.3176.800000114.6I86 L87 Q94 S95I86-G91 PolarHBondContact O-N 2.84Å; L87-G91 WeakPolarHBondContact O-CA 3.29Å; L87-G91 PolarHBondContact O-N 3.49Å; L87-G91 VanDerWaalsContact O-N 3.11Å; G91-Q94 PolarHBondContact O-N 3.04Å; G91-S95 PolarHBondContact O-N 3.01Å; G91-S95 VanDerWaalsContact O-N 3.09Å
92L94.3Very high93.2Very high85 Ų8547.1 Ų47.145%0.44524%0.243SC..Hα-helixtrans-62.3-48.9-171.5-178.163.3000112.7L87 Q94 S95 V96 W163 L213 W217L87-L92 HydrophobicContact CD1-CB 4.05Å; L87-L92 HydrophobicContact CD1-CD1 3.93Å; L92-Q94 VanDerWaalsContact C-N 3.34Å; L92-Q94 PolarHBondContact O-N 3.46Å; L92-S95 PolarHBondContact O-N 3.17Å; L92-S95 PolarHBondContact O-OG 3.22Å; L92-V96 HydrophobicContact CD1-CG2 4.17Å; L92-V96 WeakPolarHBondContact O-CG2 3.35Å; L92-V96 PolarHBondContact O-N 3.25Å; L92-W163 HydrophobicContact CD1-CZ2 4.14Å; L92-L213 HydrophobicContact CD2-CD1 4.34Å; L92-W217 HydrophobicContact CG-CH2 4.28Å
93K93.1Very high93.2Very high80 Ų8050.4 Ų50.435%0.34826%0.262SS..Hα-helixtrans-54.2-51.6-179.8177.1-177.4163.9-171.80111.6S95 V96 C97 W217K93-S95 VanDerWaalsContact C-N 3.35Å; K93-S95 PolarHBondContact O-N 3.17Å; K93-V96 PolarHBondContact O-N 3.42Å; K93-C97 PolarHBondContact O-N 2.97Å; K93-W217 VanDerWaalsContact CA-CH2 3.41Å; K93-W217 HydrophobicContact CB-CD2 4.39Å; K93-W217 HydrophobicContact CB-CE3 4.49Å; K93-W217 HydrophobicContact CB-CH2 3.9Å; K93-W217 HydrophobicContact CB-CZ2 3.74Å; K93-W217 HydrophobicContact CB-CZ3 4.28Å; K93-W217 HydrophobicContact CD-CD2 4.44Å; K93-W217 HydrophobicContact CG-CD2 3.85Å; K93-W217 HydrophobicContact CG-CE3 4.07Å; K93-W217 HydrophobicContact CG-CG 4.35Å; K93-W217 HydrophobicContact CG-CH2 4.37Å; K93-W217 HydrophobicContact CG-CZ2 4.13Å; K93-W217 HydrophobicContact CG-CZ3 4.33Å
94Q92.6Very high92.8Very high78 Ų7850.2 Ų50.236%0.36426%0.262SS..Hα-helixtrans-63.7-42.6-179.3-168.863.426.300111.1K90 G91 L92 V96 C97 D98K90-Q94 HydrophobicContact CB-CB 3.62Å; K90-Q94 HydrophobicContact CB-CG 3.69Å; K90-Q94 HydrophobicContact CD-CG 3.69Å; K90-Q94 HydrophobicContact CG-CG 4.34Å; G91-Q94 PolarHBondContact O-N 3.04Å; L92-Q94 VanDerWaalsContact C-N 3.34Å; L92-Q94 PolarHBondContact O-N 3.46Å; Q94-V96 VanDerWaalsContact C-N 3.25Å; Q94-V96 PolarHBondContact O-N 3.14Å; Q94-C97 CarbonylContact O-C 3.58Å; Q94-C97 PolarHBondContact O-N 3.39Å; Q94-D98 WeakPolarHBondContact O-CA 3.24Å; Q94-D98 VanDerWaalsContact O-CB 3.25Å; Q94-D98 WeakPolarHBondContact O-CB 3.39Å; Q94-D98 PolarHBondContact O-N 3.49Å
95S94.8Very high92.4Very high3 Ų348.2 Ų48.22%0.02126%0.256CS..Hα-helixtrans-60.4-32.3177.874.80000114.2M83 G91 L92 K93 W163M83-S95 WeakPolarHBondContact CE-O 3.37Å; G91-S95 PolarHBondContact O-N 3.01Å; G91-S95 VanDerWaalsContact O-N 3.09Å; L92-S95 PolarHBondContact O-N 3.17Å; L92-S95 PolarHBondContact O-OG 3.22Å; K93-S95 VanDerWaalsContact C-N 3.35Å; K93-S95 PolarHBondContact O-N 3.17Å; S95-W163 PolarHBondContact OG-NE1 2.85Å; S95-W163 VanDerWaalsContact OG-NE1 3.13Å
96V95.8Very high92.3Very high2 Ų244.1 Ų44.11%0.01224%0.239CC..Hα-helixtrans-79.4-43.2178.71700000110.7L92 K93 Q94 D98 G160 V210 L213 V214 W217L92-V96 HydrophobicContact CD1-CG2 4.17Å; L92-V96 WeakPolarHBondContact O-CG2 3.35Å; L92-V96 PolarHBondContact O-N 3.25Å; K93-V96 PolarHBondContact O-N 3.42Å; Q94-V96 VanDerWaalsContact C-N 3.25Å; Q94-V96 PolarHBondContact O-N 3.14Å; V96-D98 PolarHBondContact O-N 2.86Å; V96-G160 WeakPolarHBondContact O-CA 3.34Å; V96-G160 PolarHBondContact O-N 3.34Å; V96-V210 HydrophobicContact CG1-CG1 4.18Å; V96-L213 HydrophobicContact CG2-CD1 4.46Å; V96-V214 HydrophobicContact CG1-CG2 3.47Å; V96-V214 VanDerWaalsContact CG1-CG2 3.47Å; V96-W217 HydrophobicContact CB-CE3 4.42Å; V96-W217 HydrophobicContact CB-CH2 4.44Å; V96-W217 HydrophobicContact CB-CZ3 3.59Å; V96-W217 HydrophobicContact CG1-CE3 4.23Å; V96-W217 HydrophobicContact CG1-CZ3 3.7Å; V96-W217 HydrophobicContact CG2-CH2 4.4Å; V96-W217 HydrophobicContact CG2-CZ3 3.96Å
97C94.3Very high92.3Very high6 Ų643.9 Ų43.94%0.04124%0.237CC..SBendtrans-84.69.5-179.3-60.20000113.6K93 Q94 Q99 C224K93-C97 PolarHBondContact O-N 2.97Å; Q94-C97 CarbonylContact O-C 3.58Å; Q94-C97 PolarHBondContact O-N 3.39Å; C97-Q99 PolarHBondContact O-N 3.47Å; C97-C224 HydrophobicContact CB-CB 3.9Å; C97-C224 WeakPolarHBondContact CB-SG 3.26Å; C97-C224 WeakPolarHBondContact SG-CB 3.32Å; C97-C224 CovalentContact SG-SG 2.05Å; C97-C224 PolarHBondContact SG-SG 3.26Å
98D91.9Very high92.3Very high8 Ų841.9 Ų41.94%0.04323%0.226CC..  trans-75.7102.1-174-170.129.6000113Y82 Q94 V96 S100 F101Y82-D98 VanDerWaalsContact CE1-OD2 3.31Å; Y82-D98 WeakPolarHBondContact CE1-OD2 3.3Å; Y82-D98 PolarHBondContact OH-OD2 3.37Å; Q94-D98 WeakPolarHBondContact O-CA 3.24Å; Q94-D98 VanDerWaalsContact O-CB 3.25Å; Q94-D98 WeakPolarHBondContact O-CB 3.39Å; Q94-D98 PolarHBondContact O-N 3.49Å; V96-D98 PolarHBondContact O-N 2.86Å; D98-S100 VanDerWaalsContact C-N 3.27Å; D98-S100 WeakPolarHBondContact OD1-CA 3.32Å; D98-S100 VanDerWaalsContact OD1-CB 3.31Å; D98-S100 WeakPolarHBondContact OD1-CB 3.38Å; D98-S100 PolarHBondContact OD1-N 2.81Å; D98-S100 PolarHBondContact OD1-OG 3.41Å; D98-S100 PolarHBondContact OD2-OG 3.26Å; D98-F101 PolarHBondContact OD2-N 3.04Å
99Q92.1Very high92.4Very high70 Ų7038.8 Ų38.833%0.32721%0.209SC..G310 helixtrans-76.2-17166.1-67.8-168.6-55.900112.8C97 F101 Y102 M157 P225C97-Q99 PolarHBondContact O-N 3.47Å; Q99-F101 PolarHBondContact O-N 2.72Å; Q99-Y102 WeakPolarHBondContact O-CD2 3.43Å; Q99-Y102 PolarHBondContact O-N 2.83Å; Q99-M157 WeakPolarHBondContact CG-O 3.18Å; Q99-M157 PolarHBondContact NE2-O 2.95Å; Q99-P225 HydrophobicContact CG-CB 4.29Å; Q99-P225 HydrophobicContact CG-CG 3.36Å
100S91.3Very high92.6Very high40 Ų4036.3 Ų36.328%0.2819%0.19SC..G310 helixtrans-67.1-9178.471.50000112.9Y82 D98 Y102 N103 G104Y82-S100 PolarHBondContact OH-OG 2.96Å; D98-S100 VanDerWaalsContact C-N 3.27Å; D98-S100 WeakPolarHBondContact OD1-CA 3.32Å; D98-S100 VanDerWaalsContact OD1-CB 3.31Å; D98-S100 WeakPolarHBondContact OD1-CB 3.38Å; D98-S100 PolarHBondContact OD1-N 2.81Å; D98-S100 PolarHBondContact OD1-OG 3.41Å; D98-S100 PolarHBondContact OD2-OG 3.26Å; S100-Y102 PolarHBondContact O-N 3.17Å; S100-N103 WeakPolarHBondContact CA-OD1 3.49Å; S100-N103 PolarHBondContact O-N 2.92Å; S100-N103 PolarHBondContact O-OD1 3.39Å; S100-N103 VanDerWaalsContact O-OD1 3.12Å; S100-G104 WeakPolarHBondContact O-CA 3.3Å; S100-G104 PolarHBondContact O-N 2.92Å
101F93.4Very high92.9Very high1 Ų130.6 Ų30.60%0.00417%0.165CC..G310 helixtrans-56.3-33166.3-171.3-92.6000113.5T79 Y82 M83 D98 Q99 S107 A111 M165T79-F101 HydrophobicContact CG2-CE2 4.24Å; T79-F101 HydrophobicContact CG2-CZ 3.73Å; Y82-F101 AromaticContact CD1-CD2 3.61Å; Y82-F101 HydrophobicContact CD1-CD2 3.61Å; Y82-F101 HydrophobicContact CD1-CE2 4.13Å; Y82-F101 HydrophobicContact CE1-CB 4.21Å; Y82-F101 AromaticContact CE1-CD2 3.74Å; Y82-F101 HydrophobicContact CE1-CD2 3.74Å; Y82-F101 HydrophobicContact CE1-CG 4.45Å; M83-F101 HydrophobicContact CG-CD2 4.39Å; M83-F101 HydrophobicContact CG-CE2 4.05Å; M83-F101 HydrophobicContact SD-CD2 3.65Å; M83-F101 HydrophobicContact SD-CE2 3.88Å; D98-F101 PolarHBondContact OD2-N 3.04Å; Q99-F101 PolarHBondContact O-N 2.72Å; F101-S107 CarbonylContact O-C 3.57Å; F101-S107 WeakPolarHBondContact O-CB 3.21Å; F101-S107 PolarHBondContact O-OG 3.18Å; F101-A111 HydrophobicContact CD1-CB 4.07Å; F101-A111 HydrophobicContact CE1-CB 3.74Å; F101-M165 HydrophobicContact CD1-SD 4.43Å; F101-M165 HydrophobicContact CE1-CB 4.35Å; F101-M165 HydrophobicContact CE1-SD 3.68Å; F101-M165 HydrophobicContact CZ-CB 4.43Å
102Y92.9Very high93Very high1 Ų131 Ų310%0.00416%0.158CC..THydrogen-bonded Turntrans-82.8-23.1-175.6-64.3-88.7000113.9Q99 S100 K108 A111 Y154 M157 V158 G161 M165Q99-Y102 WeakPolarHBondContact O-CD2 3.43Å; Q99-Y102 PolarHBondContact O-N 2.83Å; S100-Y102 PolarHBondContact O-N 3.17Å; Y102-K108 WeakPolarHBondContact O-CA 3.25Å; Y102-K108 VanDerWaalsContact O-CB 3.29Å; Y102-K108 WeakPolarHBondContact O-CB 3.48Å; Y102-A111 HydrophobicContact CD1-CB 4.33Å; Y102-Y154 AromaticContact CD1-CD2 3.74Å; Y102-Y154 HydrophobicContact CD1-CD2 3.74Å; Y102-Y154 AromaticContact CD1-CE2 3.59Å; Y102-Y154 HydrophobicContact CD1-CE2 3.59Å; Y102-Y154 HydrophobicContact CD1-CG 4.49Å; Y102-Y154 AromaticContact CE1-CD2 3.61Å; Y102-Y154 HydrophobicContact CE1-CD2 3.61Å; Y102-Y154 AromaticContact CE1-CE2 3.97Å; Y102-Y154 HydrophobicContact CE1-CE2 3.97Å; Y102-Y154 HydrophobicContact CE1-CG 4.28Å; Y102-M157 HydrophobicContact CD1-CB 4.39Å; Y102-M157 HydrophobicContact CD1-CG 4.14Å; Y102-M157 HydrophobicContact CD2-CB 3.67Å; Y102-M157 HydrophobicContact CD2-CG 4.14Å; Y102-M157 VanDerWaalsContact CE2-C 3.4Å; Y102-M157 HydrophobicContact CE2-CB 3.89Å; Y102-M157 WeakPolarHBondContact CE2-O 3.33Å; Y102-M157 HydrophobicContact CG-CB 3.94Å; Y102-M157 HydrophobicContact CG-CG 3.87Å; Y102-M157 HydrophobicContact CG-SD 4.49Å; Y102-V158 PolarHBondContact OH-O 3.01Å; Y102-G161 WeakPolarHBondContact OH-CA 3.31Å; Y102-M165 HydrophobicContact CE1-CE 3.74Å
103N91.8Very high93.2Very high84 Ų8427.7 Ų27.745%0.44914%0.142SC..THydrogen-bonded Turntrans-121.76.7179.261.83.8000112.9E17 S100E17-N103 HydrophobicContact CG-CB 3.97Å; S100-N103 WeakPolarHBondContact CA-OD1 3.49Å; S100-N103 PolarHBondContact O-N 2.92Å; S100-N103 PolarHBondContact O-OD1 3.39Å; S100-N103 VanDerWaalsContact O-OD1 3.12Å
104G87Confident93.4Very high4 Ų424.5 Ų24.54%0.04113%0.129CC..SBendtrans-67.8149-179.700000111.5S100 V106 S107 K108S100-G104 WeakPolarHBondContact O-CA 3.3Å; S100-G104 PolarHBondContact O-N 2.92Å; G104-V106 VanDerWaalsContact C-N 3.28Å; G104-V106 PolarHBondContact O-N 3.29Å; G104-V106 VanDerWaalsContact O-N 3.15Å; G104-S107 PolarHBondContact O-N 3.45Å; G104-K108 VanDerWaalsContact O-CB 3.25Å; G104-K108 WeakPolarHBondContact O-CB 3.37Å; G104-K108 WeakPolarHBondContact O-CD 3.21Å; G104-K108 WeakPolarHBondContact O-CG 3.32Å; G104-K108 PolarHBondContact O-N 2.85Å
105P85.2Confident93.6Very high61 Ų6120.8 Ų20.840%0.39611%0.111SC..THydrogen-bonded Turntrans-53-45.2-169.617-30.8000112.9E8E8-P105 HydrophobicContact CG-CB 3.59Å; E8-P105 WeakPolarHBondContact OE1-CB 3.12Å
106V89.1Confident93.7Very high1 Ų123.2 Ų23.21%0.00612%0.124CC..THydrogen-bonded Turntrans-89.7-43.9179.1176.60000111.4L6 E8 R78 G104 W110L6-V106 WeakPolarHBondContact O-CG2 3.41Å; E8-V106 HydrophobicContact CG-CG2 4.21Å; R78-V106 HydrophobicContact CB-CG1 3.88Å; G104-V106 VanDerWaalsContact C-N 3.28Å; G104-V106 PolarHBondContact O-N 3.29Å; G104-V106 VanDerWaalsContact O-N 3.15Å; V106-W110 VanDerWaalsContact O-CD1 3.25Å
107S93.2Very high93.7Very high0 Ų023.5 Ų23.50%013%0.126CC..Hα-helixtrans-77.8-24.2-16653.20000114.5F101 G104 F109 W110 A111F101-S107 CarbonylContact O-C 3.57Å; F101-S107 WeakPolarHBondContact O-CB 3.21Å; F101-S107 PolarHBondContact O-OG 3.18Å; G104-S107 PolarHBondContact O-N 3.45Å; S107-F109 PolarHBondContact O-N 2.78Å; S107-W110 PolarHBondContact O-N 2.99Å; S107-W110 VanDerWaalsContact O-N 3.17Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 2.92Å
108K93.9Very high93.9Very high18 Ų1823.3 Ų23.38%0.07812%0.124CC..Hα-helixtrans-55.9-49.5-173.562.5-173.2-170.6163.10114.4E12 F15 E17 Y102 G104 A111 Y112E12-K108 WeakPolarHBondContact O-CE 3.26Å; F15-K108 HydrophobicContact CD1-CB 4.38Å; F15-K108 HydrophobicContact CD1-CD 4.38Å; F15-K108 HydrophobicContact CD1-CG 3.97Å; F15-K108 WeakPolarHBondContact O-CE 3.22Å; F15-K108 PolarHBondContact O-NZ 3.14Å; E17-K108 HydrophobicContact CB-CB 4.17Å; E17-K108 HydrophobicContact CB-CD 4.23Å; E17-K108 HydrophobicContact CG-CD 4.42Å; E17-K108 IonicContact OE1-NZ 2.99Å; E17-K108 WeakPolarHBondContact OE2-CD 3.49Å; E17-K108 IonicContact OE2-NZ 3.22Å; E17-K108 PolarHBondContact OE2-NZ 2.94Å; Y102-K108 WeakPolarHBondContact O-CA 3.25Å; Y102-K108 VanDerWaalsContact O-CB 3.29Å; Y102-K108 WeakPolarHBondContact O-CB 3.48Å; G104-K108 VanDerWaalsContact O-CB 3.25Å; G104-K108 WeakPolarHBondContact O-CB 3.37Å; G104-K108 WeakPolarHBondContact O-CD 3.21Å; G104-K108 WeakPolarHBondContact O-CG 3.32Å; G104-K108 PolarHBondContact O-N 2.85Å; K108-A111 PolarHBondContact O-N 2.98Å; K108-Y112 PolarHBondContact O-N 3.09Å
109F95.8Very high94.1Very high56 Ų5624 Ų2425%0.24613%0.132CC..Hα-helixtrans-62.9-46.8177.5170.4-93.5000110.8F11 E12 F15 S107 A111 Y112 A113F11-F109 HydrophobicContact CD2-CD1 4.27Å; F11-F109 HydrophobicContact CD2-CD2 4.3Å; F11-F109 HydrophobicContact CD2-CE1 4.28Å; F11-F109 HydrophobicContact CD2-CE2 4.3Å; F11-F109 HydrophobicContact CD2-CG 4.28Å; F11-F109 HydrophobicContact CD2-CZ 4.29Å; F11-F109 AromaticContact CE2-CD1 3.62Å; F11-F109 HydrophobicContact CE2-CD1 3.62Å; F11-F109 HydrophobicContact CE2-CD2 4.44Å; F11-F109 AromaticContact CE2-CE1 3.63Å; F11-F109 HydrophobicContact CE2-CE1 3.63Å; F11-F109 HydrophobicContact CE2-CE2 4.45Å; F11-F109 HydrophobicContact CE2-CG 4.04Å; F11-F109 HydrophobicContact CE2-CZ 4.06Å; E12-F109 HydrophobicContact CG-CB 4.46Å; F15-F109 HydrophobicContact CB-CB 4.3Å; F15-F109 HydrophobicContact CB-CD2 4.48Å; F15-F109 HydrophobicContact CD1-CB 4.18Å; F15-F109 AromaticContact CD2-CD2 3.71Å; F15-F109 HydrophobicContact CD2-CD2 3.71Å; F15-F109 HydrophobicContact CE2-CD2 4.1Å; F15-F109 HydrophobicContact CG-CB 4.07Å; F15-F109 HydrophobicContact CG-CD2 4.09Å; S107-F109 PolarHBondContact O-N 2.78Å; F109-A111 VanDerWaalsContact C-N 3.33Å; F109-A111 PolarHBondContact O-N 2.84Å; F109-Y112 PolarHBondContact O-N 3.45Å; F109-A113 HydrophobicContact CE1-CB 4.21Å; F109-A113 HydrophobicContact CZ-CB 4.37Å; F109-A113 WeakPolarHBondContact O-CB 3.27Å; F109-A113 PolarHBondContact O-N 2.9Å
110W96.8Very high94.3Very high15 Ų1523.9 Ų23.96%0.05714%0.137CC..Hα-helixtrans-68.5-31.2-176.7-67.2103000113.1F11 E12 F71 F74 R78 T79 V106 S107 F114 Y169F11-W110 HydrophobicContact CZ-CZ2 4.31Å; E12-W110 PolarHBondContact OE1-NE1 2.88Å; F71-W110 HydrophobicContact CD2-CZ3 4.15Å; F71-W110 HydrophobicContact CE2-CE3 4.42Å; F71-W110 HydrophobicContact CE2-CZ3 4.08Å; F74-W110 HydrophobicContact CB-CH2 3.37Å; F74-W110 HydrophobicContact CB-CZ2 3.96Å; F74-W110 HydrophobicContact CB-CZ3 4.03Å; F74-W110 HydrophobicContact CG-CH2 4.45Å; R78-W110 HydrophobicContact CB-CD2 4.37Å; R78-W110 HydrophobicContact CB-CG 4.19Å; R78-W110 HydrophobicContact CG-CZ2 3.99Å; T79-W110 HydrophobicContact CG2-CB 3.57Å; T79-W110 HydrophobicContact CG2-CG 4.28Å; V106-W110 VanDerWaalsContact O-CD1 3.25Å; S107-W110 PolarHBondContact O-N 2.99Å; S107-W110 VanDerWaalsContact O-N 3.17Å; W110-F114 VanDerWaalsContact O-CB 3.25Å; W110-F114 WeakPolarHBondContact O-CB 3.33Å; W110-F114 PolarHBondContact O-N 3.06Å; W110-Y169 PolarHBondContact O-OH 3.34Å
111A97.1Very high94.5Very high0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-65.5-45.2173.100000110.9F101 Y102 S107 K108 F109 F114 V115 Y154 M165F101-A111 HydrophobicContact CD1-CB 4.07Å; F101-A111 HydrophobicContact CE1-CB 3.74Å; Y102-A111 HydrophobicContact CD1-CB 4.33Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 2.92Å; K108-A111 PolarHBondContact O-N 2.98Å; F109-A111 VanDerWaalsContact C-N 3.33Å; F109-A111 PolarHBondContact O-N 2.84Å; A111-F114 WeakPolarHBondContact O-CB 3.27Å; A111-V115 WeakPolarHBondContact O-CG2 3.38Å; A111-V115 PolarHBondContact O-N 2.92Å; A111-Y154 HydrophobicContact CB-CE2 3.91Å; A111-M165 HydrophobicContact CB-SD 3.96Å
112Y97.1Very high94.7Very high38 Ų3822.9 Ų22.915%0.14913%0.128CC..Hα-helixtrans-66.3-48176.5-176.8-117.9000111.9F15 A20 W23 M24 K108 F109 F114 V115 L116 Y154F15-Y112 AromaticContact CE2-CD1 3.74Å; F15-Y112 HydrophobicContact CE2-CD1 3.74Å; F15-Y112 HydrophobicContact CE2-CE1 4.33Å; F15-Y112 HydrophobicContact CE2-CG 4.43Å; F15-Y112 AromaticContact CZ-CD1 3.46Å; F15-Y112 HydrophobicContact CZ-CD1 3.46Å; F15-Y112 VanDerWaalsContact CZ-CD1 3.46Å; F15-Y112 HydrophobicContact CZ-CE1 4.27Å; F15-Y112 AromaticContact CZ-CG 3.7Å; F15-Y112 HydrophobicContact CZ-CG 3.7Å; A20-Y112 HydrophobicContact CB-CD1 4.24Å; A20-Y112 HydrophobicContact CB-CD2 3.72Å; A20-Y112 HydrophobicContact CB-CE1 4.37Å; A20-Y112 HydrophobicContact CB-CE2 3.89Å; A20-Y112 HydrophobicContact CB-CG 3.9Å; W23-Y112 HydrophobicContact CE3-CE2 4.3Å; M24-Y112 HydrophobicContact CG-CD2 4.08Å; M24-Y112 HydrophobicContact CG-CE2 3.74Å; M24-Y112 HydrophobicContact SD-CE2 3.99Å; K108-Y112 PolarHBondContact O-N 3.09Å; F109-Y112 PolarHBondContact O-N 3.45Å; Y112-F114 PolarHBondContact O-N 2.7Å; Y112-V115 PolarHBondContact O-N 3.17Å; Y112-V115 VanDerWaalsContact O-N 3.14Å; Y112-L116 HydrophobicContact CD1-CD1 3.96Å; Y112-L116 HydrophobicContact CD1-CG 4.48Å; Y112-L116 HydrophobicContact CE1-CD1 3.36Å; Y112-L116 HydrophobicContact CE1-CG 4.15Å; Y112-L116 HydrophobicContact CE2-CD1 4.24Å; Y112-L116 HydrophobicContact CE2-CD2 4.39Å; Y112-L116 HydrophobicContact CE2-CG 4.22Å; Y112-L116 PolarHBondContact O-N 3.33Å; Y112-L116 VanDerWaalsContact O-N 3.09Å; Y112-Y154 HydrophobicContact CD2-CE1 4.23Å
113A97.3Very high94.8Very high15 Ų1523.4 Ų23.412%0.12413%0.134CC..Hα-helixtrans-59.4-35.7178.800000112.1F71 F109 V115 L116 S117F71-A113 HydrophobicContact CE2-CB 3.89Å; F71-A113 HydrophobicContact CZ-CB 4.01Å; F109-A113 HydrophobicContact CE1-CB 4.21Å; F109-A113 HydrophobicContact CZ-CB 4.37Å; F109-A113 WeakPolarHBondContact O-CB 3.27Å; F109-A113 PolarHBondContact O-N 2.9Å; A113-V115 PolarHBondContact O-N 2.85Å; A113-L116 PolarHBondContact O-N 3.42Å; A113-S117 WeakPolarHBondContact O-CB 3.2Å; A113-S117 PolarHBondContact O-N 3.24Å
114F97.9Very high94.9Very high13 Ų1320.1 Ų20.16%0.05712%0.116CC..Hα-helixtrans-59.1-46.7176178-93.4000112.3W110 A111 Y112 S117 K118 M165 N168 Y169W110-F114 VanDerWaalsContact O-CB 3.25Å; W110-F114 WeakPolarHBondContact O-CB 3.33Å; W110-F114 PolarHBondContact O-N 3.06Å; A111-F114 WeakPolarHBondContact O-CB 3.27Å; Y112-F114 PolarHBondContact O-N 2.7Å; F114-S117 PolarHBondContact O-N 3.5Å; F114-S117 PolarHBondContact O-OG 3.16Å; F114-K118 VanDerWaalsContact CZ-CE 3.41Å; F114-M165 HydrophobicContact CB-SD 4.32Å; F114-M165 HydrophobicContact CD1-CB 4.29Å; F114-M165 HydrophobicContact CD1-CE 4.37Å; F114-M165 HydrophobicContact CD1-CG 3.57Å; F114-M165 HydrophobicContact CD1-SD 4.05Å; F114-M165 HydrophobicContact CD2-CB 4.18Å; F114-M165 HydrophobicContact CD2-CG 4.35Å; F114-M165 HydrophobicContact CE1-CB 4.43Å; F114-M165 HydrophobicContact CE1-CG 3.75Å; F114-M165 HydrophobicContact CE2-CB 4.3Å; F114-M165 HydrophobicContact CE2-CG 4.48Å; F114-M165 HydrophobicContact CG-CB 4.16Å; F114-M165 HydrophobicContact CG-CG 3.89Å; F114-M165 HydrophobicContact CG-SD 4.28Å; F114-M165 HydrophobicContact CZ-CB 4.42Å; F114-M165 HydrophobicContact CZ-CG 4.2Å; F114-N168 HydrophobicContact CE2-CB 3.64Å; F114-N168 WeakPolarHBondContact CE2-OD1 3.44Å; F114-N168 HydrophobicContact CZ-CB 3.77Å; F114-Y169 VanDerWaalsContact CA-OH 3.26Å; F114-Y169 WeakPolarHBondContact CA-OH 3.43Å; F114-Y169 HydrophobicContact CB-CE2 3.81Å; F114-Y169 WeakPolarHBondContact CB-OH 3.45Å; F114-Y169 HydrophobicContact CD2-CD1 4.3Å; F114-Y169 AromaticContact CD2-CD2 3.93Å; F114-Y169 HydrophobicContact CD2-CD2 3.93Å; F114-Y169 HydrophobicContact CD2-CE1 4.04Å; F114-Y169 AromaticContact CD2-CE2 3.62Å; F114-Y169 HydrophobicContact CD2-CE2 3.62Å; F114-Y169 HydrophobicContact CD2-CG 4.26Å; F114-Y169 AromaticContact CD2-CZ 3.7Å; F114-Y169 HydrophobicContact CG-CE2 4.14Å; F114-Y169 PolarHBondContact N-OH 3.17Å; F114-Y169 VanDerWaalsContact N-OH 3.14Å
115V96.7Very high95.3Very high0 Ų020 Ų200%012%0.115CC..Hα-helixtrans-71.1-40.4-176177.30000109.9M24 A111 Y112 A113 S117 K118 W151 Y154 M165M24-V115 HydrophobicContact CE-CG1 3.51Å; M24-V115 HydrophobicContact SD-CG1 4.26Å; A111-V115 WeakPolarHBondContact O-CG2 3.38Å; A111-V115 PolarHBondContact O-N 2.92Å; Y112-V115 PolarHBondContact O-N 3.17Å; Y112-V115 VanDerWaalsContact O-N 3.14Å; A113-V115 PolarHBondContact O-N 2.85Å; V115-S117 VanDerWaalsContact C-N 3.33Å; V115-S117 PolarHBondContact O-N 2.92Å; V115-K118 PolarHBondContact O-N 3.17Å; V115-W151 HydrophobicContact CG1-CB 4.43Å; V115-W151 HydrophobicContact CG1-CD2 4.5Å; V115-W151 HydrophobicContact CG1-CG 3.88Å; V115-W151 PolarHBondContact O-NE1 3Å; V115-Y154 HydrophobicContact CB-CD2 4.42Å; V115-Y154 HydrophobicContact CG2-CD2 3.49Å; V115-Y154 VanDerWaalsContact CG2-CD2 3.49Å; V115-Y154 HydrophobicContact CG2-CE2 4.35Å; V115-Y154 HydrophobicContact CG2-CG 3.84Å; V115-M165 HydrophobicContact CG2-CE 4.18Å
116L96.8Very high95.8Very high54 Ų5421 Ų2128%0.28312%0.116SC..Hα-helixtrans-64.1-37.4173.7-67.6-170.3000112.2W23 M24 Y112 A113 K118 A119 P120 W151W23-L116 HydrophobicContact CH2-CD2 4.19Å; W23-L116 HydrophobicContact CZ3-CD2 3.86Å; M24-L116 HydrophobicContact SD-CD2 4.48Å; Y112-L116 HydrophobicContact CD1-CD1 3.96Å; Y112-L116 HydrophobicContact CD1-CG 4.48Å; Y112-L116 HydrophobicContact CE1-CD1 3.36Å; Y112-L116 HydrophobicContact CE1-CG 4.15Å; Y112-L116 HydrophobicContact CE2-CD1 4.24Å; Y112-L116 HydrophobicContact CE2-CD2 4.39Å; Y112-L116 HydrophobicContact CE2-CG 4.22Å; Y112-L116 PolarHBondContact O-N 3.33Å; Y112-L116 VanDerWaalsContact O-N 3.09Å; A113-L116 PolarHBondContact O-N 3.42Å; L116-K118 PolarHBondContact O-N 3.48Å; L116-K118 VanDerWaalsContact O-N 3.08Å; L116-A119 PolarHBondContact O-N 3.41Å; L116-A119 VanDerWaalsContact O-N 3.12Å; L116-P120 WeakPolarHBondContact O-CD 3.46Å; L116-W151 HydrophobicContact CD2-CH2 4.3Å; L116-W151 HydrophobicContact CD2-CZ2 3.93Å
117S97.3Very high96Very high9 Ų922.5 Ų22.56%0.06312%0.123CC..Hα-helixtrans-59.8-23.8-177.385.80000113.4F71 A113 F114 V115 A119 P120 E121F71-S117 VanDerWaalsContact CE1-CB 3.42Å; A113-S117 WeakPolarHBondContact O-CB 3.2Å; A113-S117 PolarHBondContact O-N 3.24Å; F114-S117 PolarHBondContact O-N 3.5Å; F114-S117 PolarHBondContact O-OG 3.16Å; V115-S117 VanDerWaalsContact C-N 3.33Å; V115-S117 PolarHBondContact O-N 2.92Å; S117-A119 PolarHBondContact O-N 2.85Å; S117-P120 VanDerWaalsContact O-CD 3.27Å; S117-P120 WeakPolarHBondContact O-CD 3.49Å; S117-E121 WeakPolarHBondContact O-CB 3.45Å; S117-E121 WeakPolarHBondContact O-CG 3.3Å; S117-E121 PolarHBondContact O-N 2.98Å; S117-E121 PolarHBondContact OG-OE1 2.6Å
118K97.2Very high96.1Very high1 Ų124.3 Ų24.30%0.00413%0.132CC..Hα-helixtrans-63.6-27.8178.7-57.3-43.6176.2-165.30113.2F114 V115 L116 E121 V146 L147 S150 N168F114-K118 VanDerWaalsContact CZ-CE 3.41Å; V115-K118 PolarHBondContact O-N 3.17Å; L116-K118 PolarHBondContact O-N 3.48Å; L116-K118 VanDerWaalsContact O-N 3.08Å; K118-E121 VanDerWaalsContact CD-OE2 3.3Å; K118-E121 WeakPolarHBondContact CD-OE2 3.43Å; K118-E121 IonicContact NZ-OE1 2.78Å; K118-E121 PolarHBondContact NZ-OE1 3.14Å; K118-E121 IonicContact NZ-OE2 3.52Å; K118-E121 PolarHBondContact NZ-OE2 3.17Å; K118-V146 HydrophobicContact CD-CG1 4.28Å; K118-L147 HydrophobicContact CB-CB 4.32Å; K118-L147 HydrophobicContact CB-CD1 3.76Å; K118-S150 WeakPolarHBondContact CG-OG 3.44Å; K118-N168 PolarHBondContact NZ-OD1 2.87Å
119A96.1Very high96.2Very high24 Ų2424.1 Ų24.120%0.19813%0.132CC..Hα-helixtrans-74.3-50.3175.100000112.3F34 L116 S117 E121 L122 L147F34-A119 HydrophobicContact CD2-CB 4.3Å; L116-A119 PolarHBondContact O-N 3.41Å; L116-A119 VanDerWaalsContact O-N 3.12Å; S117-A119 PolarHBondContact O-N 2.85Å; A119-E121 VanDerWaalsContact C-N 3.32Å; A119-E121 PolarHBondContact O-N 3.35Å; A119-L122 VanDerWaalsContact O-CB 3.23Å; A119-L122 WeakPolarHBondContact O-CB 3.4Å; A119-L122 WeakPolarHBondContact O-CG 3.47Å; A119-L122 PolarHBondContact O-N 3Å; A119-L147 HydrophobicContact CB-CD1 4.21Å
120P96.1Very high96.1Very high66 Ų6624.4 Ų24.443%0.42914%0.136SC..Hα-helixtrans-54.6-42.3169.2-3036.3000113.6W64 L116 S117 L122 G123W64-P120 HydrophobicContact CH2-CB 4.11Å; W64-P120 VanDerWaalsContact CH2-O 3.23Å; W64-P120 WeakPolarHBondContact CH2-O 3.49Å; W64-P120 WeakPolarHBondContact CZ2-O 3.05Å; L116-P120 WeakPolarHBondContact O-CD 3.46Å; S117-P120 VanDerWaalsContact O-CD 3.27Å; S117-P120 WeakPolarHBondContact O-CD 3.49Å; P120-L122 PolarHBondContact O-N 3.36Å; P120-G123 PolarHBondContact O-N 3.05Å
121E96.9Very high96Very high2 Ų227.2 Ų27.21%0.00915%0.147CC..Hα-helixtrans-54.9-23.2179.6-76.1171-146.300113.5L68 S117 K118 A119 G123 D124 H172L68-E121 HydrophobicContact CD2-CG 4.48Å; S117-E121 WeakPolarHBondContact O-CB 3.45Å; S117-E121 WeakPolarHBondContact O-CG 3.3Å; S117-E121 PolarHBondContact O-N 2.98Å; S117-E121 PolarHBondContact OG-OE1 2.6Å; K118-E121 VanDerWaalsContact CD-OE2 3.3Å; K118-E121 WeakPolarHBondContact CD-OE2 3.43Å; K118-E121 IonicContact NZ-OE1 2.78Å; K118-E121 PolarHBondContact NZ-OE1 3.14Å; K118-E121 IonicContact NZ-OE2 3.52Å; K118-E121 PolarHBondContact NZ-OE2 3.17Å; A119-E121 VanDerWaalsContact C-N 3.32Å; A119-E121 PolarHBondContact O-N 3.35Å; E121-G123 PolarHBondContact O-N 3.03Å; E121-G123 VanDerWaalsContact O-N 3.13Å; E121-D124 WeakPolarHBondContact O-CB 3.4Å; E121-D124 PolarHBondContact O-N 2.78Å; E121-H172 IonicContact OE1-ND1 3.81Å; E121-H172 IonicContact OE2-CE1 2.62Å; E121-H172 PolarHBondContact OE2-CE1 3.45Å; E121-H172 IonicContact OE2-ND1 3.71Å
122L95.8Very high95.8Very high18 Ų1831.9 Ų31.99%0.09417%0.167CC..THydrogen-bonded Turntrans-57.4-24.9170.8-59179.9000113.2Y38 A119 P120 D124 T125 H143 L147Y38-L122 HydrophobicContact CD1-CD2 4.36Å; Y38-L122 HydrophobicContact CD2-CB 3.73Å; Y38-L122 HydrophobicContact CD2-CD1 4.2Å; Y38-L122 HydrophobicContact CD2-CD2 3.82Å; Y38-L122 HydrophobicContact CD2-CG 4.12Å; Y38-L122 HydrophobicContact CE1-CD2 4.44Å; Y38-L122 HydrophobicContact CE2-CB 3.95Å; Y38-L122 HydrophobicContact CE2-CD2 3.88Å; Y38-L122 HydrophobicContact CE2-CG 4.45Å; Y38-L122 HydrophobicContact CG-CD1 4.28Å; Y38-L122 HydrophobicContact CG-CD2 4.03Å; A119-L122 VanDerWaalsContact O-CB 3.23Å; A119-L122 WeakPolarHBondContact O-CB 3.4Å; A119-L122 WeakPolarHBondContact O-CG 3.47Å; A119-L122 PolarHBondContact O-N 3Å; P120-L122 PolarHBondContact O-N 3.36Å; L122-D124 PolarHBondContact O-N 3.44Å; L122-T125 PolarHBondContact O-N 2.96Å; L122-H143 HydrophobicContact CD2-CB 3.9Å; L122-L147 HydrophobicContact CD1-CD2 3.92Å; L122-L147 HydrophobicContact CD2-CD2 4.43Å
123G94.9Very high95.6Very high12 Ų1235 Ų3512%0.12418%0.183CC..Hα-helixtrans-58.8-25.9174.400000113.7P120 E121 T125 L126 F127P120-G123 PolarHBondContact O-N 3.05Å; E121-G123 PolarHBondContact O-N 3.03Å; E121-G123 VanDerWaalsContact O-N 3.13Å; G123-T125 PolarHBondContact O-N 2.89Å; G123-L126 WeakPolarHBondContact O-CB 2.98Å; G123-L126 PolarHBondContact O-N 2.62Å; G123-F127 VanDerWaalsContact O-CD2 3.26Å; G123-F127 WeakPolarHBondContact O-CD2 3.49Å; G123-F127 PolarHBondContact O-N 2.95Å
124D95.3Very high95.3Very high15 Ų1543.1 Ų43.18%0.0822%0.215CC..Hα-helixtrans-56-40.6175.6-73.4-15.6000111.5W64 E121 L122 F127 I128 Y176W64-D124 PolarHBondContact NE1-OD1 3.22Å; E121-D124 WeakPolarHBondContact O-CB 3.4Å; E121-D124 PolarHBondContact O-N 2.78Å; L122-D124 PolarHBondContact O-N 3.44Å; D124-F127 PolarHBondContact O-N 2.66Å; D124-I128 WeakPolarHBondContact O-CG1 3.29Å; D124-I128 PolarHBondContact O-N 3.47Å; D124-I128 VanDerWaalsContact O-N 3.17Å; D124-Y176 WeakPolarHBondContact OD2-CE1 3.16Å; D124-Y176 PolarHBondContact OD2-OH 2.8Å
125T95.8Very high95.1Very high2 Ų243.6 Ų43.61%0.01222%0.218CC..Hα-helixtrans-70.9-32.7179.2-54.80000112.5Y38 I42 L122 G123 F127 I128 V129 L135 H139Y38-T125 HydrophobicContact CE2-CG2 4.01Å; Y38-T125 WeakPolarHBondContact CE2-OG1 3.46Å; Y38-T125 PolarHBondContact OH-OG1 2.96Å; I42-T125 HydrophobicContact CD1-CG2 3.9Å; I42-T125 HydrophobicContact CG1-CG2 3.68Å; L122-T125 PolarHBondContact O-N 2.96Å; G123-T125 PolarHBondContact O-N 2.89Å; T125-F127 VanDerWaalsContact C-N 3.31Å; T125-F127 PolarHBondContact O-N 3.39Å; T125-I128 WeakPolarHBondContact O-CB 3.22Å; T125-I128 PolarHBondContact O-N 2.84Å; T125-I128 VanDerWaalsContact O-N 3.17Å; T125-V129 HydrophobicContact CG2-CG2 4.29Å; T125-V129 WeakPolarHBondContact O-CG2 3.23Å; T125-V129 PolarHBondContact O-N 2.77Å; T125-L135 HydrophobicContact CG2-CD1 3.77Å; T125-L135 HydrophobicContact CG2-CD2 3.81Å; T125-L135 HydrophobicContact CG2-CG 4.46Å; T125-H139 PolarHBondContact OG1-CD2 3.28Å; T125-H139 PolarHBondContact OG1-NE2 3.41Å
126L94.4Very high95Very high82 Ų8246.4 Ų46.443%0.42923%0.233SC..Hα-helixtrans-60.5-44.5174-61.7178.5000110.3C41 G123 I128 V129 L130C41-L126 HydrophobicContact CB-CD2 4.26Å; G123-L126 WeakPolarHBondContact O-CB 2.98Å; G123-L126 PolarHBondContact O-N 2.62Å; L126-I128 VanDerWaalsContact C-N 3.32Å; L126-I128 PolarHBondContact O-N 2.97Å; L126-V129 PolarHBondContact O-N 3.32Å; L126-L130 WeakPolarHBondContact O-CB 3.4Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.17Å
127F94.8Very high94.9Very high32 Ų3248.9 Ų48.914%0.1424%0.242CC..Hα-helixtrans-60.8-39.6174.5-73.3-71.4000112.5L57 P60 L61 W64 G123 D124 T125 R131L57-F127 HydrophobicContact CB-CD1 4.03Å; L57-F127 HydrophobicContact CB-CE1 4.18Å; L57-F127 HydrophobicContact CD1-CD1 4.04Å; L57-F127 HydrophobicContact CD1-CE1 4.38Å; P60-F127 HydrophobicContact CB-CE1 3.99Å; P60-F127 HydrophobicContact CB-CZ 4.31Å; L61-F127 HydrophobicContact CB-CD1 4.18Å; L61-F127 HydrophobicContact CB-CE1 4.28Å; L61-F127 HydrophobicContact CD1-CB 4.09Å; L61-F127 HydrophobicContact CD1-CD1 4.24Å; L61-F127 HydrophobicContact CD1-CD2 4.07Å; L61-F127 HydrophobicContact CD1-CG 3.87Å; W64-F127 HydrophobicContact CB-CE2 3.9Å; W64-F127 HydrophobicContact CB-CZ 4.07Å; W64-F127 AromaticContact CD1-CE2 3.71Å; W64-F127 AromaticContact CD2-CE2 3.83Å; W64-F127 HydrophobicContact CD2-CE2 3.83Å; W64-F127 HydrophobicContact CE3-CE2 4.46Å; W64-F127 HydrophobicContact CG-CD2 4.35Å; W64-F127 AromaticContact CG-CE2 3.53Å; W64-F127 HydrophobicContact CG-CE2 3.53Å; W64-F127 HydrophobicContact CG-CZ 4.17Å; G123-F127 VanDerWaalsContact O-CD2 3.26Å; G123-F127 WeakPolarHBondContact O-CD2 3.49Å; G123-F127 PolarHBondContact O-N 2.95Å; D124-F127 PolarHBondContact O-N 2.66Å; T125-F127 VanDerWaalsContact C-N 3.31Å; T125-F127 PolarHBondContact O-N 3.39Å; F127-R131 WeakPolarHBondContact O-CB 3.33Å; F127-R131 WeakPolarHBondContact O-CD 3.3Å; F127-R131 WeakPolarHBondContact O-CG 3.26Å; F127-R131 PolarHBondContact O-N 3.22Å
128I94.8Very high94.7Very high39 Ų3949.2 Ų49.220%0.224%0.243CC..Hα-helixtrans-62.4-48.7176.4-67.5172000110.5D124 T125 L126 K132 Q133 L135D124-I128 WeakPolarHBondContact O-CG1 3.29Å; D124-I128 PolarHBondContact O-N 3.47Å; D124-I128 VanDerWaalsContact O-N 3.17Å; T125-I128 WeakPolarHBondContact O-CB 3.22Å; T125-I128 PolarHBondContact O-N 2.84Å; T125-I128 VanDerWaalsContact O-N 3.17Å; L126-I128 VanDerWaalsContact C-N 3.32Å; L126-I128 PolarHBondContact O-N 2.97Å; I128-K132 PolarHBondContact O-N 3.43Å; I128-Q133 HydrophobicContact CG2-CB 3.89Å; I128-Q133 PolarHBondContact O-N 3.4Å; I128-L135 HydrophobicContact CD1-CD1 4.39Å; I128-L135 HydrophobicContact CG2-CB 3.95Å; I128-L135 HydrophobicContact CG2-CD1 4.23Å
129V95.5Very high94.7Very high13 Ų1351 Ų518%0.07925%0.251CS..Hα-helixtrans-65.9-49-177.7172.80000111.3G45 R46 M49 T125 L126 R131 K132 L135G45-V129 VanDerWaalsContact C-CG1 3.46Å; R46-V129 HydrophobicContact CG-CG1 4.18Å; R46-V129 HydrophobicContact CG-CG2 4.29Å; M49-V129 HydrophobicContact CG-CG1 4.32Å; T125-V129 HydrophobicContact CG2-CG2 4.29Å; T125-V129 WeakPolarHBondContact O-CG2 3.23Å; T125-V129 PolarHBondContact O-N 2.77Å; L126-V129 PolarHBondContact O-N 3.32Å; V129-R131 VanDerWaalsContact C-N 3.28Å; V129-R131 PolarHBondContact O-N 3.43Å; V129-K132 PolarHBondContact O-N 3.32Å; V129-L135 HydrophobicContact CG2-CD2 4.37Å
130L94.6Very high94.7Very high62 Ų6254.4 Ų54.433%0.32526%0.259SS..Hα-helixtrans-66.8-28-178.9-66.5174.9000112.9M49 F55 L57 L126 K132M49-L130 WeakPolarHBondContact CE-O 3.25Å; M49-L130 HydrophobicContact CG-CD2 4.44Å; M49-L130 HydrophobicContact SD-CD2 4.01Å; F55-L130 HydrophobicContact CD2-CB 4.17Å; F55-L130 HydrophobicContact CD2-CD2 4.13Å; F55-L130 HydrophobicContact CE2-CD2 4.19Å; F55-L130 PolarHBondContact N-O 3.28Å; L57-L130 HydrophobicContact CD1-CB 3.62Å; L57-L130 HydrophobicContact CD1-CD1 3.76Å; L57-L130 HydrophobicContact CD1-CG 4.36Å; L126-L130 WeakPolarHBondContact O-CB 3.4Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.17Å; L130-K132 VanDerWaalsContact C-N 3.3Å
131R94.2Very high94.7Very high74 Ų7454.1 Ų54.128%0.27925%0.249SC..THydrogen-bonded Turntrans-907.4174.7-62.9177.966.1-141.6-2.7113.3L57 F127 V129 Q133L57-R131 HydrophobicContact CB-CG 4.29Å; L57-R131 HydrophobicContact CD1-CG 4.45Å; F127-R131 WeakPolarHBondContact O-CB 3.33Å; F127-R131 WeakPolarHBondContact O-CD 3.3Å; F127-R131 WeakPolarHBondContact O-CG 3.26Å; F127-R131 PolarHBondContact O-N 3.22Å; V129-R131 VanDerWaalsContact C-N 3.28Å; V129-R131 PolarHBondContact O-N 3.43Å; R131-Q133 HydrophobicContact CB-CG 3.99Å; R131-Q133 PolarHBondContact O-N 2.81Å; R131-Q133 PolarHBondContact O-NE2 2.84Å; R131-Q133 VanDerWaalsContact O-NE2 3.08Å
132K92.4Very high94.7Very high98 Ų9855 Ų5543%0.42625%0.254SS..THydrogen-bonded Turntrans52.434.5-176.9-64.4-171.6160.8-167.50113.8M49 R52 K54 I128 V129 L130M49-K132 HydrophobicContact CE-CG 3.93Å; M49-K132 WeakPolarHBondContact O-CE 3.35Å; M49-K132 PolarHBondContact O-NZ 3.33Å; R52-K132 WeakPolarHBondContact O-CE 3.27Å; R52-K132 PolarHBondContact O-NZ 3.28Å; K54-K132 HydrophobicContact CB-CB 4.37Å; K54-K132 HydrophobicContact CB-CD 4.27Å; K54-K132 HydrophobicContact CB-CG 4.25Å; I128-K132 PolarHBondContact O-N 3.43Å; V129-K132 PolarHBondContact O-N 3.32Å; L130-K132 VanDerWaalsContact C-N 3.3Å
133Q92.5Very high94.8Very high105 Ų10554.6 Ų54.649%0.49125%0.251SS..  trans-81.9156.4175.7-61.5-57-60.100110.5I128 R131 L135I128-Q133 HydrophobicContact CG2-CB 3.89Å; I128-Q133 PolarHBondContact O-N 3.4Å; R131-Q133 HydrophobicContact CB-CG 3.99Å; R131-Q133 PolarHBondContact O-N 2.81Å; R131-Q133 PolarHBondContact O-NE2 2.84Å; R131-Q133 VanDerWaalsContact O-NE2 3.08Å; Q133-L135 PolarHBondContact O-N 3.37Å
134K91.6Very high94.9Very high184 Ų18455.3 Ų55.380%0.825%0.252SS*.  trans-68.5106.9179-175.4-179178.6-176.90109.7I136K134-I136 HydrophobicContact CD-CG2 4.47Å; K134-I136 HydrophobicContact CG-CG2 4.35Å; K134-I136 PolarHBondContact O-N 2.89Å
135L93.3Very high95Very high23 Ų2356.1 Ų56.112%0.1226%0.257CS..  trans-75.9110.5169.6-178.459000109.7I42 T125 I128 V129 Q133 H139 W140I42-L135 HydrophobicContact CD1-CD2 4.22Å; I42-L135 HydrophobicContact CG1-CD2 4.22Å; I42-L135 HydrophobicContact CG2-CD2 3.59Å; T125-L135 HydrophobicContact CG2-CD1 3.77Å; T125-L135 HydrophobicContact CG2-CD2 3.81Å; T125-L135 HydrophobicContact CG2-CG 4.46Å; I128-L135 HydrophobicContact CD1-CD1 4.39Å; I128-L135 HydrophobicContact CG2-CB 3.95Å; I128-L135 HydrophobicContact CG2-CD1 4.23Å; V129-L135 HydrophobicContact CG2-CD2 4.37Å; Q133-L135 PolarHBondContact O-N 3.37Å; L135-H139 HydrophobicContact CD1-CB 4.23Å; L135-W140 HydrophobicContact CD1-CB 4.4Å
136I94.3Very high95.1Very high59 Ų5956.6 Ų56.630%0.30326%0.26SS..  trans-85.7153.7179.161.8173.5000111.4K134 L138 H139 W140 F248K134-I136 HydrophobicContact CD-CG2 4.47Å; K134-I136 HydrophobicContact CG-CG2 4.35Å; K134-I136 PolarHBondContact O-N 2.89Å; I136-L138 HydrophobicContact CD1-CB 4.13Å; I136-L138 HydrophobicContact CG1-CB 4.42Å; I136-L138 PolarHBondContact O-N 3.11Å; I136-H139 HydrophobicContact CG1-CB 3.85Å; I136-H139 PolarHBondContact O-N 3.29Å; I136-W140 VanDerWaalsContact O-CD1 3.32Å; I136-F248 HydrophobicContact CD1-CD2 4.2Å; I136-F248 HydrophobicContact CD1-CE2 4.19Å
137F94.6Very high95.2Very high107 Ų10752.7 Ų52.747%0.46924%0.24SC..Hα-helixtrans-54-50.2179.1175.5-104.1000112.6H139 W140 Y141 L244F137-H139 PolarHBondContact O-N 3.34Å; F137-H139 VanDerWaalsContact O-N 3.14Å; F137-W140 AromaticContact CD2-CE2 3.68Å; F137-W140 HydrophobicContact CD2-CH2 4.15Å; F137-W140 AromaticContact CD2-CZ2 3.33Å; F137-W140 HydrophobicContact CD2-CZ2 3.33Å; F137-W140 AromaticContact CD2-NE1 3.86Å; F137-W140 AromaticContact CE2-CH2 3.76Å; F137-W140 HydrophobicContact CE2-CH2 3.76Å; F137-W140 AromaticContact CE2-CZ2 3.43Å; F137-W140 HydrophobicContact CE2-CZ2 3.43Å; F137-W140 VanDerWaalsContact CE2-CZ2 3.43Å; F137-W140 PolarHBondContact O-N 3.41Å; F137-Y141 HydrophobicContact CE1-CD1 4.4Å; F137-Y141 HydrophobicContact CE1-CG 4.1Å; F137-Y141 AromaticContact CZ-CD2 3.97Å; F137-Y141 HydrophobicContact CZ-CD2 3.97Å; F137-Y141 AromaticContact CZ-CG 3.93Å; F137-Y141 HydrophobicContact CZ-CG 3.93Å; F137-Y141 VanDerWaalsContact O-CB 3.23Å; F137-Y141 WeakPolarHBondContact O-CB 3.49Å; F137-Y141 PolarHBondContact O-N 2.8Å; F137-L244 HydrophobicContact CD1-CD1 4.45Å; F137-L244 HydrophobicContact CD1-CD2 4.09Å; F137-L244 HydrophobicContact CE1-CD1 4.12Å; F137-L244 HydrophobicContact CE1-CD2 4.16Å
138L94.8Very high95.3Very high16 Ų1653.1 Ų53.18%0.08424%0.243CC..Hα-helixtrans-48.9-43.4179.3173.354.7000112.7I136 H142 L244 F245 F248I136-L138 HydrophobicContact CD1-CB 4.13Å; I136-L138 HydrophobicContact CG1-CB 4.42Å; I136-L138 PolarHBondContact O-N 3.11Å; L138-H142 WeakPolarHBondContact O-CB 3.49Å; L138-H142 PolarHBondContact O-N 3.34Å; L138-L244 HydrophobicContact CD1-CB 3.61Å; L138-L244 HydrophobicContact CD1-CD1 3.98Å; L138-L244 HydrophobicContact CD1-CG 4.43Å; L138-L244 HydrophobicContact CD2-CB 4.47Å; L138-L244 HydrophobicContact CG-CB 4.42Å; L138-F245 HydrophobicContact CD1-CD2 4.18Å; L138-F245 HydrophobicContact CD1-CE2 4.02Å; L138-F245 HydrophobicContact CD1-CZ 4.44Å; L138-F245 HydrophobicContact CD2-CD1 3.99Å; L138-F245 HydrophobicContact CD2-CD2 4.38Å; L138-F245 HydrophobicContact CD2-CE1 4Å; L138-F245 HydrophobicContact CD2-CE2 4.4Å; L138-F245 HydrophobicContact CD2-CG 4.18Å; L138-F245 HydrophobicContact CD2-CZ 4.22Å; L138-F248 HydrophobicContact CD2-CB 4.05Å; L138-F248 HydrophobicContact CD2-CG 4.36Å
139H95.8Very high95.4Very high39 Ų3952.4 Ų52.418%0.18124%0.238CC..Hα-helixtrans-66-57-175.1-176.385.3000111.8T125 L135 I136 F137 Y141 H142 H143T125-H139 PolarHBondContact OG1-CD2 3.28Å; T125-H139 PolarHBondContact OG1-NE2 3.41Å; L135-H139 HydrophobicContact CD1-CB 4.23Å; I136-H139 HydrophobicContact CG1-CB 3.85Å; I136-H139 PolarHBondContact O-N 3.29Å; F137-H139 PolarHBondContact O-N 3.34Å; F137-H139 VanDerWaalsContact O-N 3.14Å; H139-Y141 PolarHBondContact O-N 3.19Å; H139-H142 PolarHBondContact O-N 2.85Å; H139-H143 AromaticContact CD2-CD2 3.65Å; H139-H143 AromaticContact CE1-CD2 3.45Å; H139-H143 PolarHBondContact CE1-CD2 3.31Å; H139-H143 VanDerWaalsContact CE1-CD2 3.45Å; H139-H143 AromaticContact CE1-NE2 3.08Å; H139-H143 PolarHBondContact CE1-NE2 3.27Å; H139-H143 AromaticContact CG-CD2 3.9Å; H139-H143 AromaticContact ND1-CD2 3.77Å; H139-H143 AromaticContact ND1-NE2 3.6Å; H139-H143 AromaticContact NE2-CD2 3.42Å; H139-H143 PolarHBondContact NE2-CD2 2.98Å; H139-H143 AromaticContact NE2-NE2 3.47Å; H139-H143 PolarHBondContact NE2-NE2 2.99Å; H139-H143 PolarHBondContact O-CD2 3.07Å; H139-H143 PolarHBondContact O-N 3.3Å
140W95.7Very high95.5Very high95 Ų9552.2 Ų52.236%0.3624%0.237SC..Hα-helixtrans-72.3-33.1-175.370.6-98.9000112.6Y38 I42 L135 I136 F137 I144Y38-W140 HydrophobicContact CE1-CB 4.21Å; Y38-W140 WeakPolarHBondContact OH-CA 3.22Å; I42-W140 HydrophobicContact CD1-CB 3.88Å; L135-W140 HydrophobicContact CD1-CB 4.4Å; I136-W140 VanDerWaalsContact O-CD1 3.32Å; F137-W140 AromaticContact CD2-CE2 3.68Å; F137-W140 HydrophobicContact CD2-CH2 4.15Å; F137-W140 AromaticContact CD2-CZ2 3.33Å; F137-W140 HydrophobicContact CD2-CZ2 3.33Å; F137-W140 AromaticContact CD2-NE1 3.86Å; F137-W140 AromaticContact CE2-CH2 3.76Å; F137-W140 HydrophobicContact CE2-CH2 3.76Å; F137-W140 AromaticContact CE2-CZ2 3.43Å; F137-W140 HydrophobicContact CE2-CZ2 3.43Å; F137-W140 VanDerWaalsContact CE2-CZ2 3.43Å; F137-W140 PolarHBondContact O-N 3.41Å; W140-I144 HydrophobicContact CE3-CD1 3.82Å; W140-I144 HydrophobicContact CZ3-CD1 4.11Å; W140-I144 WeakPolarHBondContact O-CG1 3.26Å; W140-I144 PolarHBondContact O-N 3.29Å
141Y97.1Very high95.6Very high59 Ų5949.4 Ų49.423%0.23122%0.223CC..Hα-helixtrans-59-54.9172.4171-106.5000110F137 H139 H143 I144 T145 S240 Y241 L244F137-Y141 HydrophobicContact CE1-CD1 4.4Å; F137-Y141 HydrophobicContact CE1-CG 4.1Å; F137-Y141 AromaticContact CZ-CD2 3.97Å; F137-Y141 HydrophobicContact CZ-CD2 3.97Å; F137-Y141 AromaticContact CZ-CG 3.93Å; F137-Y141 HydrophobicContact CZ-CG 3.93Å; F137-Y141 VanDerWaalsContact O-CB 3.23Å; F137-Y141 WeakPolarHBondContact O-CB 3.49Å; F137-Y141 PolarHBondContact O-N 2.8Å; H139-Y141 PolarHBondContact O-N 3.19Å; Y141-H143 PolarHBondContact O-N 3.49Å; Y141-I144 PolarHBondContact O-N 3.12Å; Y141-T145 HydrophobicContact CD2-CG2 4.16Å; Y141-T145 HydrophobicContact CE2-CG2 3.73Å; Y141-T145 PolarHBondContact O-N 3.03Å; Y141-T145 PolarHBondContact O-OG1 2.84Å; Y141-S240 WeakPolarHBondContact CE1-OG 3.44Å; Y141-S240 PolarHBondContact OH-OG 3.09Å; Y141-Y241 HydrophobicContact CD1-CD1 4.29Å; Y141-Y241 AromaticContact CD1-CE1 3.97Å; Y141-Y241 HydrophobicContact CD1-CE1 3.97Å; Y141-Y241 AromaticContact CE1-CD1 3.84Å; Y141-Y241 HydrophobicContact CE1-CD1 3.84Å; Y141-Y241 AromaticContact CE1-CE1 3.62Å; Y141-Y241 HydrophobicContact CE1-CE1 3.62Å; Y141-L244 HydrophobicContact CD1-CD1 3.63Å; Y141-L244 HydrophobicContact CE1-CD1 3.77Å
142H97Very high95.7Very high21 Ų2147.9 Ų47.910%0.09722%0.217CC..Hα-helixtrans-53.9-48.9178.4170.3-88.7000112.7L138 H139 I144 T145 V146 Y241L138-H142 WeakPolarHBondContact O-CB 3.49Å; L138-H142 PolarHBondContact O-N 3.34Å; H139-H142 PolarHBondContact O-N 2.85Å; H142-I144 VanDerWaalsContact C-N 3.33Å; H142-I144 PolarHBondContact O-N 3.4Å; H142-T145 PolarHBondContact O-N 3.35Å; H142-T145 PolarHBondContact O-OG1 3.02Å; H142-V146 WeakPolarHBondContact O-CB 3.3Å; H142-V146 VanDerWaalsContact O-CG1 3.26Å; H142-V146 WeakPolarHBondContact O-CG1 3.31Å; H142-V146 PolarHBondContact O-N 3.49Å; H142-Y241 HydrophobicContact CB-CE1 4.16Å; H142-Y241 AromaticContact CD2-CD2 3.89Å; H142-Y241 AromaticContact CD2-CE2 3.47Å; H142-Y241 VanDerWaalsContact CD2-CE2 3.47Å; H142-Y241 WeakPolarHBondContact CD2-CE2 3.45Å; H142-Y241 AromaticContact CD2-CZ 3.54Å; H142-Y241 PolarHBondContact O-OH 2.95Å
143H97.4Very high95.8Very high9 Ų943.5 Ų43.54%0.04220%0.199CC..Hα-helixtrans-63.3-36.8-177.7-83.3-67.6000113.1Y38 L122 H139 Y141 L147Y38-H143 HydrophobicContact CE1-CB 4.49Å; L122-H143 HydrophobicContact CD2-CB 3.9Å; H139-H143 AromaticContact CD2-CD2 3.65Å; H139-H143 AromaticContact CE1-CD2 3.45Å; H139-H143 PolarHBondContact CE1-CD2 3.31Å; H139-H143 VanDerWaalsContact CE1-CD2 3.45Å; H139-H143 AromaticContact CE1-NE2 3.08Å; H139-H143 PolarHBondContact CE1-NE2 3.27Å; H139-H143 AromaticContact CG-CD2 3.9Å; H139-H143 AromaticContact ND1-CD2 3.77Å; H139-H143 AromaticContact ND1-NE2 3.6Å; H139-H143 AromaticContact NE2-CD2 3.42Å; H139-H143 PolarHBondContact NE2-CD2 2.98Å; H139-H143 AromaticContact NE2-NE2 3.47Å; H139-H143 PolarHBondContact NE2-NE2 2.99Å; H139-H143 PolarHBondContact O-CD2 3.07Å; H139-H143 PolarHBondContact O-N 3.3Å; Y141-H143 PolarHBondContact O-N 3.49Å; H143-L147 VanDerWaalsContact O-CB 3.31Å; H143-L147 WeakPolarHBondContact O-CB 3.37Å; H143-L147 PolarHBondContact O-N 3.12Å
144I97.3Very high95.9Very high28 Ų2838.6 Ų38.614%0.14418%0.176CC..Hα-helixtrans-68.1-53.5174.2-70.1175.7000110.2Y38 W140 Y141 H142 V146 L147 L148Y38-I144 HydrophobicContact CD1-CD1 3.87Å; Y38-I144 HydrophobicContact CD1-CG1 3.55Å; Y38-I144 HydrophobicContact CE1-CD1 3.97Å; Y38-I144 HydrophobicContact CE1-CG1 3.6Å; W140-I144 HydrophobicContact CE3-CD1 3.82Å; W140-I144 HydrophobicContact CZ3-CD1 4.11Å; W140-I144 WeakPolarHBondContact O-CG1 3.26Å; W140-I144 PolarHBondContact O-N 3.29Å; Y141-I144 PolarHBondContact O-N 3.12Å; H142-I144 VanDerWaalsContact C-N 3.33Å; H142-I144 PolarHBondContact O-N 3.4Å; I144-V146 PolarHBondContact O-N 3.47Å; I144-L147 PolarHBondContact O-N 3.45Å; I144-L148 HydrophobicContact CG2-CD1 3.92Å; I144-L148 HydrophobicContact CG2-CG 4.49Å; I144-L148 WeakPolarHBondContact O-CG 3.45Å; I144-L148 PolarHBondContact O-N 3.19Å; I144-L148 VanDerWaalsContact O-N 3.09Å
145T97.5Very high95.9Very high31 Ų3131.7 Ų31.719%0.1915%0.146CC..Hα-helixtrans-69-36.3-171.5430000112.4Y141 H142 Y149 Y241Y141-T145 HydrophobicContact CD2-CG2 4.16Å; Y141-T145 HydrophobicContact CE2-CG2 3.73Å; Y141-T145 PolarHBondContact O-N 3.03Å; Y141-T145 PolarHBondContact O-OG1 2.84Å; H142-T145 PolarHBondContact O-N 3.35Å; H142-T145 PolarHBondContact O-OG1 3.02Å; T145-Y149 WeakPolarHBondContact O-CB 3.13Å; T145-Y149 PolarHBondContact O-N 2.84Å; T145-Y241 WeakPolarHBondContact CB-OH 3.29Å; T145-Y241 WeakPolarHBondContact OG1-CE1 3.22Å; T145-Y241 PolarHBondContact OG1-OH 3.28Å
146V96.9Very high95.7Very high12 Ų1232.3 Ų32.37%0.07315%0.15CC..Hα-helixtrans-69.4-34.2176.380.90000112.2K118 H142 I144 S150 Y241K118-V146 HydrophobicContact CD-CG1 4.28Å; H142-V146 WeakPolarHBondContact O-CB 3.3Å; H142-V146 VanDerWaalsContact O-CG1 3.26Å; H142-V146 WeakPolarHBondContact O-CG1 3.31Å; H142-V146 PolarHBondContact O-N 3.49Å; I144-V146 PolarHBondContact O-N 3.47Å; V146-S150 WeakPolarHBondContact O-CB 3.07Å; V146-S150 PolarHBondContact O-N 2.84Å; V146-S150 PolarHBondContact O-OG 3.25Å; V146-Y241 PolarHBondContact N-OH 3.02Å; V146-Y241 VanDerWaalsContact N-OH 3.16Å
147L97.6Very high95.7Very high0 Ų031.8 Ų31.80%015%0.146CC..Hα-helixtrans-64.7-51.3175175.764.3000110.8F34 K118 A119 L122 H143 I144 Y149 S150 W151F34-L147 HydrophobicContact CB-CD2 3.87Å; K118-L147 HydrophobicContact CB-CB 4.32Å; K118-L147 HydrophobicContact CB-CD1 3.76Å; A119-L147 HydrophobicContact CB-CD1 4.21Å; L122-L147 HydrophobicContact CD1-CD2 3.92Å; L122-L147 HydrophobicContact CD2-CD2 4.43Å; H143-L147 VanDerWaalsContact O-CB 3.31Å; H143-L147 WeakPolarHBondContact O-CB 3.37Å; H143-L147 PolarHBondContact O-N 3.12Å; I144-L147 PolarHBondContact O-N 3.45Å; L147-Y149 PolarHBondContact O-N 3.4Å; L147-S150 PolarHBondContact O-OG 3.15Å; L147-W151 HydrophobicContact CD1-CG 4.45Å; L147-W151 PolarHBondContact O-N 2.85Å
148L97.4Very high95.6Very high41 Ų4126.8 Ų26.822%0.21512%0.124CC..Hα-helixtrans-59.9-48.9178.2-65.8175.4000111.3S31 F32 I144 Y152S31-L148 WeakPolarHBondContact OG-CD2 3.5Å; F32-L148 HydrophobicContact CB-CD2 4.5Å; F32-L148 HydrophobicContact CD1-CD1 4.45Å; F32-L148 HydrophobicContact CD1-CD2 3.54Å; F32-L148 HydrophobicContact CE1-CD1 4.33Å; F32-L148 HydrophobicContact CE1-CD2 3.81Å; F32-L148 HydrophobicContact CG-CD2 3.96Å; F32-L148 HydrophobicContact CZ-CD2 4.43Å; I144-L148 HydrophobicContact CG2-CD1 3.92Å; I144-L148 HydrophobicContact CG2-CG 4.49Å; I144-L148 WeakPolarHBondContact O-CG 3.45Å; I144-L148 PolarHBondContact O-N 3.19Å; I144-L148 VanDerWaalsContact O-N 3.09Å; L148-Y152 VanDerWaalsContact O-CB 3.27Å; L148-Y152 WeakPolarHBondContact O-CB 3.4Å; L148-Y152 PolarHBondContact O-N 2.87Å
149Y96.9Very high95.6Very high24 Ų2426.1 Ų26.19%0.09412%0.122CC..Hα-helixtrans-66.4-45.6-176.7176.3-102.9000112.4T145 L147 W151 Y152 S153 N230 S234 M237T145-Y149 WeakPolarHBondContact O-CB 3.13Å; T145-Y149 PolarHBondContact O-N 2.84Å; L147-Y149 PolarHBondContact O-N 3.4Å; Y149-W151 VanDerWaalsContact C-N 3.34Å; Y149-W151 PolarHBondContact O-N 3.35Å; Y149-Y152 PolarHBondContact O-N 3.39Å; Y149-S153 WeakPolarHBondContact CE2-OG 3.3Å; Y149-S153 VanDerWaalsContact O-CB 3.26Å; Y149-S153 WeakPolarHBondContact O-CB 3.49Å; Y149-S153 PolarHBondContact O-N 3.43Å; Y149-S153 PolarHBondContact O-OG 2.88Å; Y149-S153 PolarHBondContact OH-OG 2.95Å; Y149-N230 PolarHBondContact OH-OD1 2.9Å; Y149-S234 WeakPolarHBondContact OH-CB 3.49Å; Y149-S234 PolarHBondContact OH-OG 2.98Å; Y149-M237 HydrophobicContact CD1-CE 3.34Å; Y149-M237 HydrophobicContact CD1-SD 3.79Å; Y149-M237 HydrophobicContact CE1-CE 3.66Å; Y149-M237 HydrophobicContact CG-CE 3.85Å; Y149-M237 HydrophobicContact CG-SD 3.78Å
150S96.6Very high95.5Very high9 Ų924.3 Ų24.36%0.06311%0.113CC..Hα-helixtrans-62.7-40.5-179.356.90000112.3K118 V146 L147 Y154K118-S150 WeakPolarHBondContact CG-OG 3.44Å; V146-S150 WeakPolarHBondContact O-CB 3.07Å; V146-S150 PolarHBondContact O-N 2.84Å; V146-S150 PolarHBondContact O-OG 3.25Å; L147-S150 PolarHBondContact O-OG 3.15Å; S150-Y154 VanDerWaalsContact O-CB 3.32Å; S150-Y154 WeakPolarHBondContact O-CB 3.26Å; S150-Y154 PolarHBondContact O-N 3.41Å
151W96.8Very high95.4Very high4 Ų420 Ų202%0.01510%0.098CC..Hα-helixtrans-69.2-41.1177.8-75.647.1000111.7W23 M24 W28 K30 F34 V115 L116 L147 Y149W23-W151 AromaticContact CH2-CH2 3.71Å; W23-W151 HydrophobicContact CH2-CH2 3.71Å; W23-W151 AromaticContact CH2-CZ3 3.96Å; W23-W151 HydrophobicContact CH2-CZ3 3.96Å; W23-W151 AromaticContact CZ3-CH2 3.93Å; W23-W151 HydrophobicContact CZ3-CH2 3.93Å; W23-W151 AromaticContact CZ3-CZ3 4Å; W23-W151 HydrophobicContact CZ3-CZ3 4Å; M24-W151 HydrophobicContact CE-CB 3.98Å; M24-W151 HydrophobicContact CE-CD2 3.95Å; M24-W151 HydrophobicContact CE-CE3 4.17Å; M24-W151 HydrophobicContact CE-CG 3.91Å; W28-W151 HydrophobicContact CB-CB 4.4Å; K30-W151 HydrophobicContact CB-CZ3 4.03Å; F34-W151 HydrophobicContact CD2-CH2 4.24Å; F34-W151 HydrophobicContact CD2-CZ2 4.48Å; F34-W151 AromaticContact CE2-CH2 3.68Å; F34-W151 HydrophobicContact CE2-CH2 3.68Å; F34-W151 HydrophobicContact CE2-CZ2 4.19Å; F34-W151 HydrophobicContact CE2-CZ3 4.28Å; V115-W151 HydrophobicContact CG1-CB 4.43Å; V115-W151 HydrophobicContact CG1-CD2 4.5Å; V115-W151 HydrophobicContact CG1-CG 3.88Å; V115-W151 PolarHBondContact O-NE1 3Å; L116-W151 HydrophobicContact CD2-CH2 4.3Å; L116-W151 HydrophobicContact CD2-CZ2 3.93Å; L147-W151 HydrophobicContact CD1-CG 4.45Å; L147-W151 PolarHBondContact O-N 2.85Å; Y149-W151 VanDerWaalsContact C-N 3.34Å; Y149-W151 PolarHBondContact O-N 3.35Å
152Y95.6Very high95.4Very high41 Ų4117.3 Ų17.316%0.1619%0.089CC..Hα-helixtrans-64.2-45.6175.4175.3-105.4000112.4W28 L148 Y149 K155 N230W28-Y152 HydrophobicContact CE3-CD2 4.17Å; W28-Y152 HydrophobicContact CH2-CD2 4.2Å; W28-Y152 AromaticContact CZ3-CD2 3.88Å; W28-Y152 HydrophobicContact CZ3-CD2 3.88Å; L148-Y152 VanDerWaalsContact O-CB 3.27Å; L148-Y152 WeakPolarHBondContact O-CB 3.4Å; L148-Y152 PolarHBondContact O-N 2.87Å; Y149-Y152 PolarHBondContact O-N 3.39Å; Y152-K155 HydrophobicContact CD2-CD 4.46Å; Y152-K155 VanDerWaalsContact O-CG 3.27Å; Y152-K155 WeakPolarHBondContact O-CG 3.41Å; Y152-N230 HydrophobicContact CE1-CB 4.31Å
153S94.5Very high95.4Very high7 Ų718.6 Ų18.65%0.0499%0.093CC..Hα-helixtrans-73.1-36-175.5-66.20000113.5Y149 K155 D156 M157 V158 N230Y149-S153 WeakPolarHBondContact CE2-OG 3.3Å; Y149-S153 VanDerWaalsContact O-CB 3.26Å; Y149-S153 WeakPolarHBondContact O-CB 3.49Å; Y149-S153 PolarHBondContact O-N 3.43Å; Y149-S153 PolarHBondContact O-OG 2.88Å; Y149-S153 PolarHBondContact OH-OG 2.95Å; S153-K155 VanDerWaalsContact C-N 3.33Å; S153-K155 PolarHBondContact O-N 3.48Å; S153-D156 PolarHBondContact O-N 2.76Å; S153-M157 PolarHBondContact O-N 3.2Å; S153-V158 PolarHBondContact O-N 3.4Å; S153-N230 PolarHBondContact OG-ND2 3.13Å
154Y94.4Very high95.4Very high1 Ų118.7 Ų18.70%0.0049%0.093CC..Hα-helixtrans-66.2-35.3179.6-173.3-80.8000112.4I21 M24 Y102 A111 Y112 V115 S150 D156 M157 M165I21-Y154 HydrophobicContact CG1-CE1 4.22Å; M24-Y154 HydrophobicContact CB-CD1 3.69Å; M24-Y154 HydrophobicContact CB-CE1 4.06Å; M24-Y154 HydrophobicContact CE-CD1 4.44Å; M24-Y154 HydrophobicContact CG-CD1 3.47Å; M24-Y154 VanDerWaalsContact CG-CD1 3.47Å; M24-Y154 HydrophobicContact CG-CE1 3.63Å; M24-Y154 HydrophobicContact CG-CG 4.46Å; Y102-Y154 AromaticContact CD1-CD2 3.74Å; Y102-Y154 HydrophobicContact CD1-CD2 3.74Å; Y102-Y154 AromaticContact CD1-CE2 3.59Å; Y102-Y154 HydrophobicContact CD1-CE2 3.59Å; Y102-Y154 HydrophobicContact CD1-CG 4.49Å; Y102-Y154 AromaticContact CE1-CD2 3.61Å; Y102-Y154 HydrophobicContact CE1-CD2 3.61Å; Y102-Y154 AromaticContact CE1-CE2 3.97Å; Y102-Y154 HydrophobicContact CE1-CE2 3.97Å; Y102-Y154 HydrophobicContact CE1-CG 4.28Å; A111-Y154 HydrophobicContact CB-CE2 3.91Å; Y112-Y154 HydrophobicContact CD2-CE1 4.23Å; V115-Y154 HydrophobicContact CB-CD2 4.42Å; V115-Y154 HydrophobicContact CG2-CD2 3.49Å; V115-Y154 VanDerWaalsContact CG2-CD2 3.49Å; V115-Y154 HydrophobicContact CG2-CE2 4.35Å; V115-Y154 HydrophobicContact CG2-CG 3.84Å; S150-Y154 VanDerWaalsContact O-CB 3.32Å; S150-Y154 WeakPolarHBondContact O-CB 3.26Å; S150-Y154 PolarHBondContact O-N 3.41Å; Y154-D156 PolarHBondContact O-N 3.11Å; Y154-D156 VanDerWaalsContact O-N 3.12Å; Y154-M157 PolarHBondContact O-N 3.4Å; Y154-M165 HydrophobicContact CD2-CE 4.09Å
155K91.7Very high95.4Very high40 Ų4017.9 Ų17.917%0.1749%0.089CC..Hα-helixtrans-56.1-32.6-179.896.8-172.7168.262.30112.7Q25 W28 Y152 S153Q25-K155 HydrophobicContact CG-CB 4.21Å; Q25-K155 WeakPolarHBondContact CG-O 3.31Å; Q25-K155 PolarHBondContact NE2-O 3Å; W28-K155 HydrophobicContact CD2-CD 4.02Å; W28-K155 HydrophobicContact CG-CD 3.81Å; Y152-K155 HydrophobicContact CD2-CD 4.46Å; Y152-K155 VanDerWaalsContact O-CG 3.27Å; Y152-K155 WeakPolarHBondContact O-CG 3.41Å; S153-K155 VanDerWaalsContact C-N 3.33Å; S153-K155 PolarHBondContact O-N 3.48Å
156D90.6Very high95.4Very high36 Ų3617.3 Ų17.319%0.1939%0.085CC..THydrogen-bonded Turntrans-101.70.5-177.2-66.2-26000112.1S153 Y154 V158 H227S153-D156 PolarHBondContact O-N 2.76Å; Y154-D156 PolarHBondContact O-N 3.11Å; Y154-D156 VanDerWaalsContact O-N 3.12Å; D156-V158 HydrophobicContact CB-CG1 3.77Å; D156-V158 PolarHBondContact O-N 3.46Å; D156-H227 IonicContact OD2-CD2 2.93Å
157M92.8Very high95.4Very high47 Ų4717.9 Ų17.923%0.2329%0.087CC..THydrogen-bonded Turntrans47.645.1-178.6-61.9178.3-7300112.4I21 Q99 Y102 S153 Y154I21-M157 HydrophobicContact CD1-SD 3.51Å; I21-M157 VanDerWaalsContact CD1-SD 3.51Å; I21-M157 HydrophobicContact CG1-SD 4.05Å; I21-M157 HydrophobicContact CG2-CE 4.4Å; I21-M157 HydrophobicContact CG2-SD 4.37Å; Q99-M157 WeakPolarHBondContact CG-O 3.18Å; Q99-M157 PolarHBondContact NE2-O 2.95Å; Y102-M157 HydrophobicContact CD1-CB 4.39Å; Y102-M157 HydrophobicContact CD1-CG 4.14Å; Y102-M157 HydrophobicContact CD2-CB 3.67Å; Y102-M157 HydrophobicContact CD2-CG 4.14Å; Y102-M157 VanDerWaalsContact CE2-C 3.4Å; Y102-M157 HydrophobicContact CE2-CB 3.89Å; Y102-M157 WeakPolarHBondContact CE2-O 3.33Å; Y102-M157 HydrophobicContact CG-CB 3.94Å; Y102-M157 HydrophobicContact CG-CG 3.87Å; Y102-M157 HydrophobicContact CG-SD 4.49Å; S153-M157 PolarHBondContact O-N 3.2Å; Y154-M157 PolarHBondContact O-N 3.4Å
158V93.4Very high95.5Very high2 Ų218.2 Ų18.21%0.0129%0.089CC..  trans-62.4144.6-169.7-60.60000112.7Y102 S153 D156 G161 N230Y102-V158 PolarHBondContact OH-O 3.01Å; S153-V158 PolarHBondContact O-N 3.4Å; D156-V158 HydrophobicContact CB-CG1 3.77Å; D156-V158 PolarHBondContact O-N 3.46Å; V158-G161 PolarHBondContact O-N 3.33Å; V158-N230 HydrophobicContact CG1-CB 4.19Å
159A93.6Very high95.5Very high3 Ų316.3 Ų16.33%0.0258%0.079CC..THydrogen-bonded Turntrans-53.1148.7169.300000112G161 V214 P225A159-G161 PolarHBondContact O-N 3.45Å; A159-V214 HydrophobicContact CB-CG1 4.09Å; A159-V214 HydrophobicContact CB-CG2 4.28Å; A159-P225 WeakPolarHBondContact CB-O 3.3Å; A159-P225 PolarHBondContact N-O 3.4Å
160G94.1Very high95.6Very high1 Ų120.2 Ų20.21%0.0110%0.101CC..THydrogen-bonded Turntrans85.4-15.3-174.600000114V96 G162 W163 F164V96-G160 WeakPolarHBondContact O-CA 3.34Å; V96-G160 PolarHBondContact O-N 3.34Å; G160-G162 VanDerWaalsContact C-N 3.34Å; G160-G162 PolarHBondContact O-N 3.49Å; G160-W163 PolarHBondContact O-N 3.38Å; G160-W163 VanDerWaalsContact O-N 3.09Å; G160-F164 VanDerWaalsContact C-CD2 3.46Å; G160-F164 WeakPolarHBondContact O-CD2 3.25Å; G160-F164 WeakPolarHBondContact O-CG 3.42Å; G160-F164 PolarHBondContact O-N 2.94Å
161G94.8Very high95.6Very high4 Ų420.3 Ų20.34%0.04110%0.101CC..Hα-helixtrans-50.4-47.6-179.700000114Y102 V158 A159 W163 F164 M165Y102-G161 WeakPolarHBondContact OH-CA 3.31Å; V158-G161 PolarHBondContact O-N 3.33Å; A159-G161 PolarHBondContact O-N 3.45Å; G161-W163 VanDerWaalsContact C-N 3.31Å; G161-W163 PolarHBondContact O-N 3.44Å; G161-F164 PolarHBondContact O-N 2.98Å; G161-M165 WeakPolarHBondContact O-CB 3.21Å; G161-M165 VanDerWaalsContact O-CG 3.26Å; G161-M165 WeakPolarHBondContact O-CG 3.15Å; G161-M165 PolarHBondContact O-N 3.27Å
162G96.1Very high95.7Very high3 Ų320.6 Ų20.63%0.03110%0.103CC..Hα-helixtrans-58-40.1179.400000113.7G160 T166G160-G162 VanDerWaalsContact C-N 3.34Å; G160-G162 PolarHBondContact O-N 3.49Å; G162-T166 WeakPolarHBondContact O-CB 3.16Å; G162-T166 PolarHBondContact O-N 3.47Å; G162-T166 PolarHBondContact O-OG1 2.87Å
163W97.4Very high95.8Very high47 Ų4719 Ų1918%0.17810%0.098CC..Hα-helixtrans-68.2-48.7174.4-83.299.4000111.9M83 L87 L92 S95 G160 G161 M165 T166 M167 V210M83-W163 HydrophobicContact CE-CB 4.48Å; M83-W163 HydrophobicContact CE-CD2 3.95Å; M83-W163 HydrophobicContact CE-CG 3.71Å; L87-W163 HydrophobicContact CD1-CZ2 4.39Å; L87-W163 HydrophobicContact CD2-CH2 4.09Å; L87-W163 HydrophobicContact CD2-CZ2 4.12Å; L92-W163 HydrophobicContact CD1-CZ2 4.14Å; S95-W163 PolarHBondContact OG-NE1 2.85Å; S95-W163 VanDerWaalsContact OG-NE1 3.13Å; G160-W163 PolarHBondContact O-N 3.38Å; G160-W163 VanDerWaalsContact O-N 3.09Å; G161-W163 VanDerWaalsContact C-N 3.31Å; G161-W163 PolarHBondContact O-N 3.44Å; W163-M165 PolarHBondContact O-N 2.95Å; W163-T166 PolarHBondContact O-N 3.44Å; W163-M167 HydrophobicContact CB-CE 4.15Å; W163-M167 HydrophobicContact CE3-CG 4.41Å; W163-M167 HydrophobicContact CE3-SD 4.36Å; W163-M167 WeakPolarHBondContact O-CB 3.25Å; W163-M167 WeakPolarHBondContact O-CE 3.46Å; W163-M167 VanDerWaalsContact O-CG 3.28Å; W163-M167 WeakPolarHBondContact O-CG 3.42Å; W163-M167 PolarHBondContact O-N 2.99Å; W163-V210 HydrophobicContact CB-CG1 4.28Å; W163-V210 HydrophobicContact CB-CG2 3.99Å; W163-V210 HydrophobicContact CG-CG2 4.19Å
164F97Very high95.9Very high12 Ų1220.7 Ų20.75%0.05311%0.108CC..Hα-helixtrans-59.2-46-179.7-61.4-46.3000112.1G160 G161 M167 N168 V210 N211 Y238G160-F164 VanDerWaalsContact C-CD2 3.46Å; G160-F164 WeakPolarHBondContact O-CD2 3.25Å; G160-F164 WeakPolarHBondContact O-CG 3.42Å; G160-F164 PolarHBondContact O-N 2.94Å; G161-F164 PolarHBondContact O-N 2.98Å; F164-M167 HydrophobicContact CD1-CE 4.42Å; F164-N168 VanDerWaalsContact O-CB 3.3Å; F164-N168 WeakPolarHBondContact O-CB 3.5Å; F164-N168 PolarHBondContact O-N 3.41Å; F164-N168 VanDerWaalsContact O-N 3.09Å; F164-V210 HydrophobicContact CE1-CB 3.83Å; F164-V210 HydrophobicContact CE1-CG1 3.8Å; F164-V210 HydrophobicContact CE2-CG1 4.24Å; F164-V210 HydrophobicContact CZ-CB 4.05Å; F164-V210 HydrophobicContact CZ-CG1 3.61Å; F164-N211 WeakPolarHBondContact CZ-OD1 3.29Å; F164-Y238 HydrophobicContact CD1-CE1 4.5Å; F164-Y238 AromaticContact CD1-CE2 3.57Å; F164-Y238 HydrophobicContact CD1-CE2 3.57Å; F164-Y238 AromaticContact CD1-CZ 3.5Å; F164-Y238 VanDerWaalsContact CD1-CZ 3.5Å; F164-Y238 WeakPolarHBondContact CD1-OH 3.18Å; F164-Y238 HydrophobicContact CE1-CD2 4.3Å; F164-Y238 AromaticContact CE1-CE2 3.63Å; F164-Y238 HydrophobicContact CE1-CE2 3.63Å; F164-Y238 AromaticContact CE1-CZ 3.94Å; F164-Y238 HydrophobicContact CG-CE2 4.2Å; F164-Y238 HydrophobicContact CZ-CE2 4.32Å
165M97.8Very high96.1Very high11 Ų1121.3 Ų21.35%0.05411%0.111CC..Hα-helixtrans-68-47.3-179.8-64.4-179-16800111.5F101 Y102 A111 F114 V115 Y154 G161 W163 M167 N168 Y169F101-M165 HydrophobicContact CD1-SD 4.43Å; F101-M165 HydrophobicContact CE1-CB 4.35Å; F101-M165 HydrophobicContact CE1-SD 3.68Å; F101-M165 HydrophobicContact CZ-CB 4.43Å; Y102-M165 HydrophobicContact CE1-CE 3.74Å; A111-M165 HydrophobicContact CB-SD 3.96Å; F114-M165 HydrophobicContact CB-SD 4.32Å; F114-M165 HydrophobicContact CD1-CB 4.29Å; F114-M165 HydrophobicContact CD1-CE 4.37Å; F114-M165 HydrophobicContact CD1-CG 3.57Å; F114-M165 HydrophobicContact CD1-SD 4.05Å; F114-M165 HydrophobicContact CD2-CB 4.18Å; F114-M165 HydrophobicContact CD2-CG 4.35Å; F114-M165 HydrophobicContact CE1-CB 4.43Å; F114-M165 HydrophobicContact CE1-CG 3.75Å; F114-M165 HydrophobicContact CE2-CB 4.3Å; F114-M165 HydrophobicContact CE2-CG 4.48Å; F114-M165 HydrophobicContact CG-CB 4.16Å; F114-M165 HydrophobicContact CG-CG 3.89Å; F114-M165 HydrophobicContact CG-SD 4.28Å; F114-M165 HydrophobicContact CZ-CB 4.42Å; F114-M165 HydrophobicContact CZ-CG 4.2Å; V115-M165 HydrophobicContact CG2-CE 4.18Å; Y154-M165 HydrophobicContact CD2-CE 4.09Å; G161-M165 WeakPolarHBondContact O-CB 3.21Å; G161-M165 VanDerWaalsContact O-CG 3.26Å; G161-M165 WeakPolarHBondContact O-CG 3.15Å; G161-M165 PolarHBondContact O-N 3.27Å; W163-M165 PolarHBondContact O-N 2.95Å; M165-M167 PolarHBondContact O-N 3.32Å; M165-N168 PolarHBondContact O-N 2.88Å; M165-Y169 WeakPolarHBondContact O-CB 3.49Å; M165-Y169 WeakPolarHBondContact O-CD2 3.4Å; M165-Y169 PolarHBondContact O-N 3.3Å
166T97.6Very high96.4Very high18 Ų1819.4 Ų19.411%0.1110%0.103CC..Hα-helixtrans-63.6-44.4-178.4-61.30000112.1T79 M83 G162 W163 Y169 L170T79-T166 VanDerWaalsContact CB-OG1 3.27Å; T79-T166 WeakPolarHBondContact CB-OG1 3.36Å; T79-T166 WeakPolarHBondContact OG1-CA 3.46Å; T79-T166 WeakPolarHBondContact OG1-CB 3.13Å; T79-T166 PolarHBondContact OG1-OG1 3.44Å; M83-T166 HydrophobicContact CG-CG2 4.3Å; M83-T166 WeakPolarHBondContact CG-OG1 3.49Å; G162-T166 WeakPolarHBondContact O-CB 3.16Å; G162-T166 PolarHBondContact O-N 3.47Å; G162-T166 PolarHBondContact O-OG1 2.87Å; W163-T166 PolarHBondContact O-N 3.44Å; T166-Y169 PolarHBondContact O-N 3.04Å; T166-L170 WeakPolarHBondContact O-CB 3.27Å; T166-L170 PolarHBondContact O-N 3.15Å
167M97.8Very high96.7Very high24 Ų2419.6 Ų19.612%0.11811%0.107CC..Hα-helixtrans-64.4-41176.1-68.4-174.5-70.600111.6W163 F164 M165 L170 V171 Q203 M206 V210W163-M167 HydrophobicContact CB-CE 4.15Å; W163-M167 HydrophobicContact CE3-CG 4.41Å; W163-M167 HydrophobicContact CE3-SD 4.36Å; W163-M167 WeakPolarHBondContact O-CB 3.25Å; W163-M167 WeakPolarHBondContact O-CE 3.46Å; W163-M167 VanDerWaalsContact O-CG 3.28Å; W163-M167 WeakPolarHBondContact O-CG 3.42Å; W163-M167 PolarHBondContact O-N 2.99Å; F164-M167 HydrophobicContact CD1-CE 4.42Å; M165-M167 PolarHBondContact O-N 3.32Å; M167-L170 PolarHBondContact O-N 3.01Å; M167-V171 WeakPolarHBondContact O-CG2 3.14Å; M167-V171 PolarHBondContact O-N 3.4Å; M167-Q203 HydrophobicContact CB-CG 4.14Å; M167-M206 HydrophobicContact CE-CB 4.13Å; M167-M206 HydrophobicContact SD-CB 3.5Å; M167-M206 VanDerWaalsContact SD-CB 3.5Å; M167-M206 HydrophobicContact SD-CG 4.27Å; M167-V210 HydrophobicContact CE-CG2 4.36Å
168N98.1Very high96.9Very high7 Ų719 Ų194%0.03710%0.102CC..Hα-helixtrans-64.6-45.3177.6-176.3-93000111.5F114 K118 F164 M165 L170 V171 H172F114-N168 HydrophobicContact CE2-CB 3.64Å; F114-N168 WeakPolarHBondContact CE2-OD1 3.44Å; F114-N168 HydrophobicContact CZ-CB 3.77Å; K118-N168 PolarHBondContact NZ-OD1 2.87Å; F164-N168 VanDerWaalsContact O-CB 3.3Å; F164-N168 WeakPolarHBondContact O-CB 3.5Å; F164-N168 PolarHBondContact O-N 3.41Å; F164-N168 VanDerWaalsContact O-N 3.09Å; M165-N168 PolarHBondContact O-N 2.88Å; N168-L170 VanDerWaalsContact C-N 3.31Å; N168-L170 PolarHBondContact O-N 3.27Å; N168-V171 PolarHBondContact O-N 3.37Å; N168-H172 PolarHBondContact ND2-CD2 3.24Å; N168-H172 PolarHBondContact ND2-NE2 3.46Å; N168-H172 VanDerWaalsContact ND2-NE2 3.19Å; N168-H172 VanDerWaalsContact O-CB 3.22Å; N168-H172 WeakPolarHBondContact O-CB 3.4Å; N168-H172 PolarHBondContact O-CD2 3.38Å; N168-H172 PolarHBondContact O-N 2.75Å
169Y98.3Very high96.9Very high2 Ų223.5 Ų23.51%0.00812%0.12CC..Hα-helixtrans-55.5-46.1174.2-87.2-53000111.9F71 T79 W110 F114 M165 T166 H172 A173F71-Y169 HydrophobicContact CD1-CE1 4.19Å; F71-Y169 AromaticContact CE1-CE1 3.56Å; F71-Y169 HydrophobicContact CE1-CE1 3.56Å; F71-Y169 AromaticContact CZ-CE1 3.78Å; F71-Y169 HydrophobicContact CZ-CE1 3.78Å; F71-Y169 WeakPolarHBondContact CZ-OH 3.44Å; T79-Y169 HydrophobicContact CG2-CD2 4.19Å; T79-Y169 HydrophobicContact CG2-CE2 4.1Å; W110-Y169 PolarHBondContact O-OH 3.34Å; F114-Y169 VanDerWaalsContact CA-OH 3.26Å; F114-Y169 WeakPolarHBondContact CA-OH 3.43Å; F114-Y169 HydrophobicContact CB-CE2 3.81Å; F114-Y169 WeakPolarHBondContact CB-OH 3.45Å; F114-Y169 HydrophobicContact CD2-CD1 4.3Å; F114-Y169 AromaticContact CD2-CD2 3.93Å; F114-Y169 HydrophobicContact CD2-CD2 3.93Å; F114-Y169 HydrophobicContact CD2-CE1 4.04Å; F114-Y169 AromaticContact CD2-CE2 3.62Å; F114-Y169 HydrophobicContact CD2-CE2 3.62Å; F114-Y169 HydrophobicContact CD2-CG 4.26Å; F114-Y169 AromaticContact CD2-CZ 3.7Å; F114-Y169 HydrophobicContact CG-CE2 4.14Å; F114-Y169 PolarHBondContact N-OH 3.17Å; F114-Y169 VanDerWaalsContact N-OH 3.14Å; M165-Y169 WeakPolarHBondContact O-CB 3.49Å; M165-Y169 WeakPolarHBondContact O-CD2 3.4Å; M165-Y169 PolarHBondContact O-N 3.3Å; T166-Y169 PolarHBondContact O-N 3.04Å; Y169-H172 PolarHBondContact O-N 2.91Å; Y169-A173 VanDerWaalsContact O-CB 3.27Å; Y169-A173 WeakPolarHBondContact O-CB 3.5Å; Y169-A173 PolarHBondContact O-N 2.93Å
170L98.1Very high97Very high106 Ų10623.8 Ų23.856%0.55512%0.122SC*.Hα-helixtrans-61.5-48.1179.1-18063.3000111.9A76 T166 M167 N168 A173 V174A76-L170 HydrophobicContact CB-CB 4.37Å; T166-L170 WeakPolarHBondContact O-CB 3.27Å; T166-L170 PolarHBondContact O-N 3.15Å; M167-L170 PolarHBondContact O-N 3.01Å; N168-L170 VanDerWaalsContact C-N 3.31Å; N168-L170 PolarHBondContact O-N 3.27Å; L170-A173 WeakPolarHBondContact O-CB 3.33Å; L170-A173 PolarHBondContact O-N 3.34Å; L170-V174 PolarHBondContact O-N 2.68Å
171V98Very high97.1Very high11 Ų1127.5 Ų27.57%0.06714%0.141CC..Hα-helixtrans-68.6-39.4179.8172.20000111.4M167 N168 V174 M175 Q200 Q203M167-V171 WeakPolarHBondContact O-CG2 3.14Å; M167-V171 PolarHBondContact O-N 3.4Å; N168-V171 PolarHBondContact O-N 3.37Å; V171-V174 PolarHBondContact O-N 2.97Å; V171-M175 VanDerWaalsContact O-CB 3.31Å; V171-M175 WeakPolarHBondContact O-CB 3.28Å; V171-M175 PolarHBondContact O-N 2.88Å; V171-Q200 HydrophobicContact CG1-CB 4.46Å; V171-Q200 HydrophobicContact CG1-CG 3.45Å; V171-Q200 VanDerWaalsContact CG1-CG 3.45Å; V171-Q203 HydrophobicContact CG2-CB 4.12Å
172H97.8Very high97Very high9 Ų933.1 Ų33.14%0.04216%0.161CC..Hα-helixtrans-66.3-36.1176.1-82.4-141.9000111.8E121 N168 Y169 V174 M175 Y176E121-H172 IonicContact OE1-ND1 3.81Å; E121-H172 IonicContact OE2-CE1 2.62Å; E121-H172 PolarHBondContact OE2-CE1 3.45Å; E121-H172 IonicContact OE2-ND1 3.71Å; N168-H172 PolarHBondContact ND2-CD2 3.24Å; N168-H172 PolarHBondContact ND2-NE2 3.46Å; N168-H172 VanDerWaalsContact ND2-NE2 3.19Å; N168-H172 VanDerWaalsContact O-CB 3.22Å; N168-H172 WeakPolarHBondContact O-CB 3.4Å; N168-H172 PolarHBondContact O-CD2 3.38Å; N168-H172 PolarHBondContact O-N 2.75Å; Y169-H172 PolarHBondContact O-N 2.91Å; H172-V174 VanDerWaalsContact C-N 3.33Å; H172-V174 PolarHBondContact O-N 3.42Å; H172-M175 PolarHBondContact O-N 2.88Å; H172-Y176 HydrophobicContact CB-CD2 4.01Å; H172-Y176 HydrophobicContact CB-CE2 4.16Å; H172-Y176 AromaticContact ND1-CE2 3.53Å; H172-Y176 WeakPolarHBondContact O-CB 3.47Å; H172-Y176 WeakPolarHBondContact O-CD2 3.49Å; H172-Y176 PolarHBondContact O-N 2.71Å
173A98.1Very high96.9Very high8 Ų833.6 Ų33.67%0.06617%0.165CC..Hα-helixtrans-56.9-47.5173.400000111.2I73 Y169 L170 S177I73-A173 HydrophobicContact CB-CB 4.46Å; I73-A173 HydrophobicContact CG1-CB 3.69Å; Y169-A173 VanDerWaalsContact O-CB 3.27Å; Y169-A173 WeakPolarHBondContact O-CB 3.5Å; Y169-A173 PolarHBondContact O-N 2.93Å; L170-A173 WeakPolarHBondContact O-CB 3.33Å; L170-A173 PolarHBondContact O-N 3.34Å; A173-S177 WeakPolarHBondContact O-CB 3.43Å; A173-S177 PolarHBondContact O-N 3.42Å; A173-S177 PolarHBondContact O-OG 2.87Å
174V97.5Very high96.7Very high42 Ų4233.4 Ų33.426%0.25517%0.173SC..Hα-helixtrans-69.8-45.4178.3-174.70000111.3L170 V171 H172 Y178 F192 I196L170-V174 PolarHBondContact O-N 2.68Å; V171-V174 PolarHBondContact O-N 2.97Å; H172-V174 VanDerWaalsContact C-N 3.33Å; H172-V174 PolarHBondContact O-N 3.42Å; V174-Y178 PolarHBondContact O-N 2.72Å; V174-F192 HydrophobicContact CG1-CZ 4.08Å; V174-I196 HydrophobicContact CG1-CD1 4.45Å; V174-I196 HydrophobicContact CG1-CG1 3.9Å
175M97.4Very high96.4Very high15 Ų1534.7 Ų34.77%0.07419%0.19CC..Hα-helixtrans-63.9-48.2-177.7-176.5-169.270.800112.6V171 H172 Y178 Y179 I196 Q200V171-M175 VanDerWaalsContact O-CB 3.31Å; V171-M175 WeakPolarHBondContact O-CB 3.28Å; V171-M175 PolarHBondContact O-N 2.88Å; H172-M175 PolarHBondContact O-N 2.88Å; M175-Y178 WeakPolarHBondContact O-CB 3.39Å; M175-Y178 PolarHBondContact O-N 3.04Å; M175-Y179 HydrophobicContact CE-CE2 3.95Å; M175-Y179 HydrophobicContact CG-CD2 4.15Å; M175-Y179 HydrophobicContact CG-CE1 4.38Å; M175-Y179 HydrophobicContact CG-CE2 3.56Å; M175-Y179 PolarHBondContact O-N 3.36Å; M175-Y179 HydrophobicContact SD-CE2 3.76Å; M175-I196 HydrophobicContact CB-CG2 4.15Å; M175-I196 HydrophobicContact CG-CG2 4.31Å; M175-Q200 PolarHBondContact SD-NE2 3.12Å
176Y97.8Very high96.1Very high0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-72-33.4-179.9-77.9-62.8000112.2L68 D124 H172 Y178 Y179 A180L68-Y176 HydrophobicContact CB-CD1 3.88Å; L68-Y176 HydrophobicContact CB-CD2 3.75Å; L68-Y176 HydrophobicContact CB-CE1 4.11Å; L68-Y176 HydrophobicContact CB-CE2 3.96Å; L68-Y176 HydrophobicContact CB-CG 3.73Å; L68-Y176 HydrophobicContact CD1-CD1 4.06Å; L68-Y176 HydrophobicContact CD1-CE1 3.48Å; L68-Y176 VanDerWaalsContact CD1-CE1 3.48Å; L68-Y176 HydrophobicContact CD1-CE2 4.09Å; L68-Y176 HydrophobicContact CG-CE1 4.45Å; D124-Y176 WeakPolarHBondContact OD2-CE1 3.16Å; D124-Y176 PolarHBondContact OD2-OH 2.8Å; H172-Y176 HydrophobicContact CB-CD2 4.01Å; H172-Y176 HydrophobicContact CB-CE2 4.16Å; H172-Y176 AromaticContact ND1-CE2 3.53Å; H172-Y176 WeakPolarHBondContact O-CB 3.47Å; H172-Y176 WeakPolarHBondContact O-CD2 3.49Å; H172-Y176 PolarHBondContact O-N 2.71Å; Y176-Y178 VanDerWaalsContact C-N 3.27Å; Y176-Y178 PolarHBondContact O-N 3.03Å; Y176-Y179 HydrophobicContact CD1-CD2 4Å; Y176-Y179 HydrophobicContact CE1-CD2 4.28Å; Y176-Y179 PolarHBondContact O-N 3.39Å; Y176-Y179 VanDerWaalsContact O-N 3.17Å; Y176-A180 WeakPolarHBondContact O-CB 3.44Å; Y176-A180 PolarHBondContact O-N 3.41Å
177S97.1Very high95.7Very high39 Ų3949.5 Ų49.527%0.27325%0.253SS..Hα-helixtrans-58.6-43.2170.3-63.80000110.9A173 A180 L181A173-S177 WeakPolarHBondContact O-CB 3.43Å; A173-S177 PolarHBondContact O-N 3.42Å; A173-S177 PolarHBondContact O-OG 2.87Å; S177-A180 PolarHBondContact O-N 2.66Å; S177-L181 VanDerWaalsContact O-CG 3.29Å; S177-L181 WeakPolarHBondContact O-CG 3.49Å; S177-L181 PolarHBondContact O-N 3.27Å
178Y96.5Very high95.3Very high34 Ų3449.9 Ų49.913%0.13326%0.256CS..Hα-helixtrans-61.1-45.8173.1172.5-101.4000112.7V174 M175 Y176 L181 R182 V188 F192 A193 I196V174-Y178 PolarHBondContact O-N 2.72Å; M175-Y178 WeakPolarHBondContact O-CB 3.39Å; M175-Y178 PolarHBondContact O-N 3.04Å; Y176-Y178 VanDerWaalsContact C-N 3.27Å; Y176-Y178 PolarHBondContact O-N 3.03Å; Y178-L181 PolarHBondContact O-N 3.03Å; Y178-R182 HydrophobicContact CD1-CG 4.27Å; Y178-R182 HydrophobicContact CD2-CG 4.12Å; Y178-R182 HydrophobicContact CE1-CG 3.84Å; Y178-R182 HydrophobicContact CE2-CG 3.74Å; Y178-R182 HydrophobicContact CG-CG 4.38Å; Y178-R182 WeakPolarHBondContact O-CB 3.42Å; Y178-R182 VanDerWaalsContact O-CG 3.24Å; Y178-R182 WeakPolarHBondContact O-CG 3.47Å; Y178-R182 PolarHBondContact O-N 3.04Å; Y178-V188 HydrophobicContact CD2-CB 4.05Å; Y178-V188 HydrophobicContact CD2-CG1 3.72Å; Y178-V188 HydrophobicContact CD2-CG2 4.31Å; Y178-V188 HydrophobicContact CE2-CB 3.67Å; Y178-V188 HydrophobicContact CE2-CG1 3.59Å; Y178-V188 HydrophobicContact CE2-CG2 4.31Å; Y178-F192 AromaticContact CD2-CD1 3.59Å; Y178-F192 HydrophobicContact CD2-CD1 3.59Å; Y178-F192 AromaticContact CD2-CE1 3.92Å; Y178-F192 HydrophobicContact CD2-CE1 3.92Å; Y178-F192 HydrophobicContact CE2-CD1 4.19Å; Y178-F192 HydrophobicContact CG-CD1 4.42Å; Y178-F192 HydrophobicContact CG-CE1 4.42Å; Y178-A193 HydrophobicContact CE2-CB 4.28Å; Y178-I196 HydrophobicContact CD1-CD1 3.88Å; Y178-I196 HydrophobicContact CD2-CD1 3.8Å; Y178-I196 HydrophobicContact CG-CD1 3.4Å; Y178-I196 VanDerWaalsContact CG-CD1 3.4Å
179Y94.6Very high94.9Very high97 Ų9752.8 Ų52.838%0.3828%0.277SS..Hα-helixtrans-64.4-40.4178.4-66.9-20.4000112.7M175 Y176 R182 A183M175-Y179 HydrophobicContact CE-CE2 3.95Å; M175-Y179 HydrophobicContact CG-CD2 4.15Å; M175-Y179 HydrophobicContact CG-CE1 4.38Å; M175-Y179 HydrophobicContact CG-CE2 3.56Å; M175-Y179 PolarHBondContact O-N 3.36Å; M175-Y179 HydrophobicContact SD-CE2 3.76Å; Y176-Y179 HydrophobicContact CD1-CD2 4Å; Y176-Y179 HydrophobicContact CE1-CD2 4.28Å; Y176-Y179 PolarHBondContact O-N 3.39Å; Y176-Y179 VanDerWaalsContact O-N 3.17Å; Y179-R182 PolarHBondContact O-N 3.45Å; Y179-A183 VanDerWaalsContact O-CB 3.23Å; Y179-A183 WeakPolarHBondContact O-CB 3.39Å; Y179-A183 PolarHBondContact O-N 3.26Å
180A95.9Very high94.5Very high9 Ų959.3 Ų59.37%0.07430%0.301CS..Hα-helixtrans-60.5-47.9175.100000111.2L66 Y176 S177 R182 A183 A184L66-A180 HydrophobicContact CB-CB 4.29Å; Y176-A180 WeakPolarHBondContact O-CB 3.44Å; Y176-A180 PolarHBondContact O-N 3.41Å; S177-A180 PolarHBondContact O-N 2.66Å; A180-R182 PolarHBondContact O-N 3.23Å; A180-A183 PolarHBondContact O-N 3Å; A180-A184 WeakPolarHBondContact O-CB 3.46Å; A180-A184 PolarHBondContact O-N 2.9Å
181L95.7Very high94.1Very high80 Ų8062.5 Ų62.542%0.41931%0.311SS..Hα-helixtrans-61.7-44.6177-71172.8000112.1S177 Y178 A184 G185 F186 V188S177-L181 VanDerWaalsContact O-CG 3.29Å; S177-L181 WeakPolarHBondContact O-CG 3.49Å; S177-L181 PolarHBondContact O-N 3.27Å; Y178-L181 PolarHBondContact O-N 3.03Å; L181-A184 PolarHBondContact O-N 2.97Å; L181-G185 PolarHBondContact O-N 3.27Å; L181-F186 HydrophobicContact CB-CB 4.49Å; L181-F186 HydrophobicContact CD2-CD2 4Å; L181-F186 HydrophobicContact CD2-CE2 4.46Å; L181-F186 WeakPolarHBondContact O-CB 3.46Å; L181-F186 PolarHBondContact O-N 3.45Å; L181-V188 HydrophobicContact CB-CG2 4.03Å
182R93.3Very high93.9Very high122 Ų12265.8 Ų65.846%0.4632%0.324SS..Hα-helixtrans-64.4-42.2177.5-73.2-69.6-63.2-178.11.7111.8Y178 Y179 A180 A184 G185 V188Y178-R182 HydrophobicContact CD1-CG 4.27Å; Y178-R182 HydrophobicContact CD2-CG 4.12Å; Y178-R182 HydrophobicContact CE1-CG 3.84Å; Y178-R182 HydrophobicContact CE2-CG 3.74Å; Y178-R182 HydrophobicContact CG-CG 4.38Å; Y178-R182 WeakPolarHBondContact O-CB 3.42Å; Y178-R182 VanDerWaalsContact O-CG 3.24Å; Y178-R182 WeakPolarHBondContact O-CG 3.47Å; Y178-R182 PolarHBondContact O-N 3.04Å; Y179-R182 PolarHBondContact O-N 3.45Å; A180-R182 PolarHBondContact O-N 3.23Å; R182-A184 VanDerWaalsContact C-N 3.31Å; R182-G185 PolarHBondContact O-N 3.31Å; R182-V188 HydrophobicContact CG-CB 4.47Å; R182-V188 HydrophobicContact CG-CG2 4.18Å
183A92.5Very high93.6Very high12 Ų1265.9 Ų65.910%0.09933%0.327CS..Hα-helixtrans-67.2-33.6176.600000111.5R58 L61 V62 Y179 A180 G185R58-A183 WeakPolarHBondContact CD-O 3.14Å; R58-A183 WeakPolarHBondContact CG-O 3.47Å; R58-A183 PolarHBondContact NE-O 3.49Å; L61-A183 HydrophobicContact CD2-CB 4.05Å; L61-A183 HydrophobicContact CG-CB 3.96Å; V62-A183 HydrophobicContact CB-CB 4.41Å; V62-A183 HydrophobicContact CG2-CB 3.47Å; V62-A183 VanDerWaalsContact CG2-CB 3.47Å; V62-A183 WeakPolarHBondContact CG2-O 3.14Å; Y179-A183 VanDerWaalsContact O-CB 3.23Å; Y179-A183 WeakPolarHBondContact O-CB 3.39Å; Y179-A183 PolarHBondContact O-N 3.26Å; A180-A183 PolarHBondContact O-N 3Å; A183-G185 PolarHBondContact O-N 3.43Å
184A93.4Very high93.4Very high43 Ų4368.6 Ų68.636%0.35534%0.339SS..Hα-helixtrans-69.7-18.6175.900000112.2R58 V62 A180 L181 R182 F186R58-A184 VanDerWaalsContact NH2-C 3.32Å; R58-A184 PolarHBondContact NH2-O 3.05Å; V62-A184 HydrophobicContact CG1-CB 4.4Å; V62-A184 HydrophobicContact CG2-CB 4.14Å; V62-A184 VanDerWaalsContact CG2-N 3.29Å; A180-A184 WeakPolarHBondContact O-CB 3.46Å; A180-A184 PolarHBondContact O-N 2.9Å; L181-A184 PolarHBondContact O-N 2.97Å; R182-A184 VanDerWaalsContact C-N 3.31Å; A184-F186 HydrophobicContact CB-CD2 3.81Å; A184-F186 HydrophobicContact CB-CE2 3.88Å
185G91Very high93.4Very high39 Ų3971.7 Ų71.740%0.40235%0.349SS..THydrogen-bonded Turntrans108.83175.900000114.8L181 R182 A183 K187L181-G185 PolarHBondContact O-N 3.27Å; R182-G185 PolarHBondContact O-N 3.31Å; A183-G185 PolarHBondContact O-N 3.43Å; G185-K187 PolarHBondContact O-N 3.19Å
186F92Very high93.3Very high133 Ų13371.2 Ų71.258%0.58335%0.347SS*.  trans-69.6132.2177.6-65.7-80.3000110.2L181 A184 V188L181-F186 HydrophobicContact CB-CB 4.49Å; L181-F186 HydrophobicContact CD2-CD2 4Å; L181-F186 HydrophobicContact CD2-CE2 4.46Å; L181-F186 WeakPolarHBondContact O-CB 3.46Å; L181-F186 PolarHBondContact O-N 3.45Å; A184-F186 HydrophobicContact CB-CD2 3.81Å; A184-F186 HydrophobicContact CB-CE2 3.88Å; F186-V188 PolarHBondContact O-N 3.09Å
187K88.5Confident93.2Very high208 Ų20871.5 Ų71.590%0.90435%0.349SS*.  trans-77.388.1174.1-70.1-176.4-178.2176.10109.3G185G185-K187 PolarHBondContact O-N 3.19Å
188V90.4Very high93.1Very high31 Ų3173.2 Ų73.219%0.18835%0.354CS..  trans-80.9137.8173.6-168.80000110.9Y178 L181 R182 F186 F192Y178-V188 HydrophobicContact CD2-CB 4.05Å; Y178-V188 HydrophobicContact CD2-CG1 3.72Å; Y178-V188 HydrophobicContact CD2-CG2 4.31Å; Y178-V188 HydrophobicContact CE2-CB 3.67Å; Y178-V188 HydrophobicContact CE2-CG1 3.59Å; Y178-V188 HydrophobicContact CE2-CG2 4.31Å; L181-V188 HydrophobicContact CB-CG2 4.03Å; R182-V188 HydrophobicContact CG-CB 4.47Å; R182-V188 HydrophobicContact CG-CG2 4.18Å; F186-V188 PolarHBondContact O-N 3.09Å; V188-F192 HydrophobicContact CG1-CB 3.97Å; V188-F192 HydrophobicContact CG1-CD1 3.67Å; V188-F192 HydrophobicContact CG1-CG 4.11Å
189S89.8Confident93.2Very high68 Ų6873.1 Ų73.148%0.47636%0.358SS..  trans-60.6145-177.4177.70000113.3K191 F192 A193S189-K191 PolarHBondContact O-N 3.02Å; S189-K191 PolarHBondContact OG-N 2.9Å; S189-F192 WeakPolarHBondContact O-CB 3.43Å; S189-F192 PolarHBondContact O-N 2.67Å; S189-F192 VanDerWaalsContact O-N 3.11Å; S189-A193 PolarHBondContact O-N 3.13Å
190R88.7Confident93.3Very high139 Ų13969.4 Ų69.453%0.52534%0.344SS..Hα-helixtrans-59.1-32.1172.3-172.8179.5-177.8-159.3-1.2112.1F192 A193 M194 A252 Y253R190-F192 VanDerWaalsContact C-N 3.27Å; R190-F192 PolarHBondContact O-N 3.41Å; R190-A193 PolarHBondContact O-N 3.43Å; R190-M194 PolarHBondContact O-N 3.01Å; R190-A252 PolarHBondContact NH2-O 2.83Å; R190-Y253 HydrophobicContact CG-CD1 4.49Å; R190-Y253 HydrophobicContact CG-CE1 4.28Å; R190-Y253 PolarHBondContact NH2-O 3.35Å
191K90.8Very high93.4Very high173 Ų17369.9 Ų69.975%0.75235%0.345SS*.Hα-helixtrans-62.3-36.6177-64.4-174.1-180-177.90111.7S189 M194 F195S189-K191 PolarHBondContact O-N 3.02Å; S189-K191 PolarHBondContact OG-N 2.9Å; K191-M194 WeakPolarHBondContact O-CB 3.5Å; K191-M194 PolarHBondContact O-N 2.93Å; K191-F195 PolarHBondContact O-N 3.33Å
192F93.4Very high93.5Very high80 Ų8069.8 Ų69.835%0.35135%0.348SS..Hα-helixtrans-72.1-39.6178.1-168.7-104000111.8V174 Y178 V188 S189 R190 M194 F195 I196V174-F192 HydrophobicContact CG1-CZ 4.08Å; Y178-F192 AromaticContact CD2-CD1 3.59Å; Y178-F192 HydrophobicContact CD2-CD1 3.59Å; Y178-F192 AromaticContact CD2-CE1 3.92Å; Y178-F192 HydrophobicContact CD2-CE1 3.92Å; Y178-F192 HydrophobicContact CE2-CD1 4.19Å; Y178-F192 HydrophobicContact CG-CD1 4.42Å; Y178-F192 HydrophobicContact CG-CE1 4.42Å; V188-F192 HydrophobicContact CG1-CB 3.97Å; V188-F192 HydrophobicContact CG1-CD1 3.67Å; V188-F192 HydrophobicContact CG1-CG 4.11Å; S189-F192 WeakPolarHBondContact O-CB 3.43Å; S189-F192 PolarHBondContact O-N 2.67Å; S189-F192 VanDerWaalsContact O-N 3.11Å; R190-F192 VanDerWaalsContact C-N 3.27Å; R190-F192 PolarHBondContact O-N 3.41Å; F192-M194 VanDerWaalsContact C-N 3.29Å; F192-M194 PolarHBondContact O-N 3.21Å; F192-F195 HydrophobicContact CE2-CD1 4.41Å; F192-F195 WeakPolarHBondContact O-CB 3.37Å; F192-F195 PolarHBondContact O-N 2.83Å; F192-I196 HydrophobicContact CD1-CD1 3.78Å; F192-I196 HydrophobicContact CD1-CG1 4.43Å; F192-I196 HydrophobicContact CE1-CD1 3.67Å; F192-I196 HydrophobicContact CE1-CG1 4.27Å; F192-I196 HydrophobicContact CZ-CD1 4.48Å; F192-I196 WeakPolarHBondContact O-CG1 3.25Å; F192-I196 PolarHBondContact O-N 3.17Å
193A92.1Very high93.7Very high12 Ų1264.6 Ų64.610%0.09933%0.329CS..Hα-helixtrans-59.9-41.5171.800000111.9Y178 S189 R190 I196 T197 Y253Y178-A193 HydrophobicContact CE2-CB 4.28Å; S189-A193 PolarHBondContact O-N 3.13Å; R190-A193 PolarHBondContact O-N 3.43Å; A193-I196 PolarHBondContact O-N 2.99Å; A193-T197 PolarHBondContact O-N 3.13Å; A193-T197 VanDerWaalsContact O-N 3.09Å; A193-T197 PolarHBondContact O-OG1 3.24Å; A193-T197 VanDerWaalsContact O-OG1 3.12Å; A193-Y253 PolarHBondContact O-OH 2.92Å; A193-Y253 VanDerWaalsContact O-OH 3.07Å
194M93.8Very high93.9Very high64 Ų6464.2 Ų64.232%0.31533%0.325SS..Hα-helixtrans-62.4-44.9174.8-176.4-169.6-78.400111.6R190 K191 F192 I196 T197 L198 F249 Y253R190-M194 PolarHBondContact O-N 3.01Å; K191-M194 WeakPolarHBondContact O-CB 3.5Å; K191-M194 PolarHBondContact O-N 2.93Å; F192-M194 VanDerWaalsContact C-N 3.29Å; F192-M194 PolarHBondContact O-N 3.21Å; M194-I196 VanDerWaalsContact C-N 3.33Å; M194-I196 PolarHBondContact O-N 3.32Å; M194-T197 PolarHBondContact O-N 3.05Å; M194-L198 HydrophobicContact CG-CD1 4.45Å; M194-L198 WeakPolarHBondContact O-CG 3.42Å; M194-L198 PolarHBondContact O-N 3.4Å; M194-F249 HydrophobicContact CG-CE2 3.56Å; M194-F249 HydrophobicContact CG-CZ 3.93Å; M194-F249 HydrophobicContact SD-CZ 4.4Å; M194-Y253 HydrophobicContact CB-CD1 4.01Å; M194-Y253 HydrophobicContact CB-CE1 3.79Å; M194-Y253 HydrophobicContact CB-CE2 4.48Å; M194-Y253 HydrophobicContact CB-CG 4.46Å; M194-Y253 HydrophobicContact CE-CD1 3.8Å; M194-Y253 HydrophobicContact CE-CG 3.96Å; M194-Y253 HydrophobicContact CG-CD1 4.23Å; M194-Y253 HydrophobicContact CG-CD2 4.43Å; M194-Y253 HydrophobicContact CG-CE1 4.43Å; M194-Y253 HydrophobicContact CG-CG 4.24Å; M194-Y253 PolarHBondContact N-OH 3.42Å
195F95.8Very high94.1Very high107 Ų10766 Ų6647%0.46933%0.328SS..Hα-helixtrans-56.7-45.7174.7173-101.5000111.8K191 F192 T197 L198 T199K191-F195 PolarHBondContact O-N 3.33Å; F192-F195 HydrophobicContact CE2-CD1 4.41Å; F192-F195 WeakPolarHBondContact O-CB 3.37Å; F192-F195 PolarHBondContact O-N 2.83Å; F195-T197 VanDerWaalsContact C-N 3.35Å; F195-T197 PolarHBondContact O-N 3.11Å; F195-L198 WeakPolarHBondContact O-CB 3.41Å; F195-L198 PolarHBondContact O-N 3Å; F195-L198 VanDerWaalsContact O-N 3.13Å; F195-T199 HydrophobicContact CD1-CG2 4.29Å; F195-T199 HydrophobicContact CD2-CG2 4.45Å; F195-T199 HydrophobicContact CE1-CG2 3.83Å; F195-T199 HydrophobicContact CE2-CG2 4.01Å; F195-T199 HydrophobicContact CZ-CG2 3.67Å; F195-T199 WeakPolarHBondContact O-CG2 3.33Å; F195-T199 PolarHBondContact O-N 3.08Å
196I96Very high94.3Very high6 Ų668 Ų683%0.03133%0.328CS..Hα-helixtrans-58.4-47.6176.3-66.3164.8000110.9V174 M175 Y178 F192 A193 M194 L198 T199 Q200V174-I196 HydrophobicContact CG1-CD1 4.45Å; V174-I196 HydrophobicContact CG1-CG1 3.9Å; M175-I196 HydrophobicContact CB-CG2 4.15Å; M175-I196 HydrophobicContact CG-CG2 4.31Å; Y178-I196 HydrophobicContact CD1-CD1 3.88Å; Y178-I196 HydrophobicContact CD2-CD1 3.8Å; Y178-I196 HydrophobicContact CG-CD1 3.4Å; Y178-I196 VanDerWaalsContact CG-CD1 3.4Å; F192-I196 HydrophobicContact CD1-CD1 3.78Å; F192-I196 HydrophobicContact CD1-CG1 4.43Å; F192-I196 HydrophobicContact CE1-CD1 3.67Å; F192-I196 HydrophobicContact CE1-CG1 4.27Å; F192-I196 HydrophobicContact CZ-CD1 4.48Å; F192-I196 WeakPolarHBondContact O-CG1 3.25Å; F192-I196 PolarHBondContact O-N 3.17Å; A193-I196 PolarHBondContact O-N 2.99Å; M194-I196 VanDerWaalsContact C-N 3.33Å; M194-I196 PolarHBondContact O-N 3.32Å; I196-L198 VanDerWaalsContact C-N 3.28Å; I196-L198 PolarHBondContact O-N 3.43Å; I196-T199 WeakPolarHBondContact CA-OG1 3.38Å; I196-T199 PolarHBondContact O-N 3.48Å; I196-T199 VanDerWaalsContact O-N 3.13Å; I196-T199 PolarHBondContact O-OG1 3.04Å; I196-Q200 WeakPolarHBondContact O-CG 3.13Å; I196-Q200 PolarHBondContact O-N 2.98Å
197T95.4Very high94.6Very high6 Ų661.6 Ų61.64%0.03730%0.3CS..Hα-helixtrans-61.5-37.6178.1-49.90000111.8A193 M194 F195 Q200 I201 F248 F249 Y253A193-T197 PolarHBondContact O-N 3.13Å; A193-T197 VanDerWaalsContact O-N 3.09Å; A193-T197 PolarHBondContact O-OG1 3.24Å; A193-T197 VanDerWaalsContact O-OG1 3.12Å; M194-T197 PolarHBondContact O-N 3.05Å; F195-T197 VanDerWaalsContact C-N 3.35Å; F195-T197 PolarHBondContact O-N 3.11Å; T197-Q200 PolarHBondContact O-N 3.16Å; T197-I201 HydrophobicContact CG2-CD1 4.4Å; T197-I201 WeakPolarHBondContact O-CG1 3.22Å; T197-I201 PolarHBondContact O-N 3.45Å; T197-F248 HydrophobicContact CG2-CD1 3.82Å; T197-F248 HydrophobicContact CG2-CE1 4Å; T197-F249 HydrophobicContact CG2-CB 4.17Å; T197-F249 HydrophobicContact CG2-CD2 3.84Å; T197-Y253 HydrophobicContact CG2-CE2 4.18Å; T197-Y253 PolarHBondContact OG1-OH 3.37Å
198L96.3Very high95Very high74 Ų7453.6 Ų53.639%0.38727%0.269SS..Hα-helixtrans-63.7-43.7173.7-69.8171.9000111.7M194 F195 I196 Q200 I201 T202 F249M194-L198 HydrophobicContact CG-CD1 4.45Å; M194-L198 WeakPolarHBondContact O-CG 3.42Å; M194-L198 PolarHBondContact O-N 3.4Å; F195-L198 WeakPolarHBondContact O-CB 3.41Å; F195-L198 PolarHBondContact O-N 3Å; F195-L198 VanDerWaalsContact O-N 3.13Å; I196-L198 VanDerWaalsContact C-N 3.28Å; I196-L198 PolarHBondContact O-N 3.43Å; L198-Q200 VanDerWaalsContact C-N 3.27Å; L198-Q200 PolarHBondContact O-N 3.34Å; L198-I201 PolarHBondContact O-N 2.92Å; L198-I201 VanDerWaalsContact O-N 3.16Å; L198-T202 PolarHBondContact O-N 3.31Å; L198-T202 PolarHBondContact O-OG1 2.96Å; L198-T202 VanDerWaalsContact O-OG1 3.13Å; L198-F249 HydrophobicContact CD1-CE2 4.43Å; L198-F249 HydrophobicContact CD2-CD2 4.18Å; L198-F249 HydrophobicContact CD2-CE2 3.56Å; L198-F249 HydrophobicContact CD2-CZ 3.8Å; L198-F249 HydrophobicContact CG-CD2 4.49Å; L198-F249 HydrophobicContact CG-CE2 3.74Å; L198-F249 HydrophobicContact CG-CZ 4.27Å
199T97.3Very high95.3Very high33 Ų3355.5 Ų55.520%0.20228%0.281CS..Hα-helixtrans-61.1-36.3176.461.90000112.4F195 I196 T202 Q203F195-T199 HydrophobicContact CD1-CG2 4.29Å; F195-T199 HydrophobicContact CD2-CG2 4.45Å; F195-T199 HydrophobicContact CE1-CG2 3.83Å; F195-T199 HydrophobicContact CE2-CG2 4.01Å; F195-T199 HydrophobicContact CZ-CG2 3.67Å; F195-T199 WeakPolarHBondContact O-CG2 3.33Å; F195-T199 PolarHBondContact O-N 3.08Å; I196-T199 WeakPolarHBondContact CA-OG1 3.38Å; I196-T199 PolarHBondContact O-N 3.48Å; I196-T199 VanDerWaalsContact O-N 3.13Å; I196-T199 PolarHBondContact O-OG1 3.04Å; T199-T202 PolarHBondContact O-N 2.91Å; T199-Q203 WeakPolarHBondContact O-CB 3.4Å; T199-Q203 PolarHBondContact O-N 3.3Å
200Q97.4Very high95.6Very high19 Ų1952.5 Ų52.59%0.08926%0.26CS..Hα-helixtrans-65.6-42.9174.2-72171.3-27.400111.9V171 M175 I196 T197 L198 Q203 M204 F245V171-Q200 HydrophobicContact CG1-CB 4.46Å; V171-Q200 HydrophobicContact CG1-CG 3.45Å; V171-Q200 VanDerWaalsContact CG1-CG 3.45Å; M175-Q200 PolarHBondContact SD-NE2 3.12Å; I196-Q200 WeakPolarHBondContact O-CG 3.13Å; I196-Q200 PolarHBondContact O-N 2.98Å; T197-Q200 PolarHBondContact O-N 3.16Å; L198-Q200 VanDerWaalsContact C-N 3.27Å; L198-Q200 PolarHBondContact O-N 3.34Å; Q200-Q203 WeakPolarHBondContact O-CB 3.24Å; Q200-Q203 PolarHBondContact O-N 3.34Å; Q200-M204 WeakPolarHBondContact O-CG 3.48Å; Q200-M204 PolarHBondContact O-N 3.3Å; Q200-M204 VanDerWaalsContact O-N 3.11Å; Q200-F245 HydrophobicContact CB-CD1 4.11Å; Q200-F245 HydrophobicContact CB-CE1 3.97Å; Q200-F245 HydrophobicContact CB-CZ 4.34Å; Q200-F245 HydrophobicContact CG-CE1 4.33Å
201I97.4Very high96Very high18 Ų1846.1 Ų46.19%0.09224%0.236CC..Hα-helixtrans-62.2-46.1175.5-68.6166.6000110.5T197 L198 Q203 M204 L205 F242 F245 V246 F249T197-I201 HydrophobicContact CG2-CD1 4.4Å; T197-I201 WeakPolarHBondContact O-CG1 3.22Å; T197-I201 PolarHBondContact O-N 3.45Å; L198-I201 PolarHBondContact O-N 2.92Å; L198-I201 VanDerWaalsContact O-N 3.16Å; I201-Q203 VanDerWaalsContact C-N 3.31Å; I201-Q203 PolarHBondContact O-N 2.79Å; I201-M204 PolarHBondContact O-N 3.39Å; I201-M204 VanDerWaalsContact O-N 3.08Å; I201-L205 PolarHBondContact O-N 3.25Å; I201-L205 VanDerWaalsContact O-N 3.09Å; I201-F242 HydrophobicContact CG2-CD2 4.04Å; I201-F242 HydrophobicContact CG2-CE2 3.72Å; I201-F245 HydrophobicContact CG1-CB 3.74Å; I201-V246 HydrophobicContact CD1-CG2 4.31Å; I201-V246 HydrophobicContact CG1-CG2 4.42Å; I201-V246 HydrophobicContact CG2-CG2 4.06Å; I201-F249 HydrophobicContact CD1-CB 3.86Å; I201-F249 HydrophobicContact CD1-CD2 4.21Å; I201-F249 HydrophobicContact CD1-CG 4.13Å
202T97.3Very high96.2Very high79 Ų7945 Ų4549%0.48523%0.228SC..Hα-helixtrans-60.3-40.7176.7-58.70000111.5L198 T199 M204 L205 M206L198-T202 PolarHBondContact O-N 3.31Å; L198-T202 PolarHBondContact O-OG1 2.96Å; L198-T202 VanDerWaalsContact O-OG1 3.13Å; T199-T202 PolarHBondContact O-N 2.91Å; T202-M204 VanDerWaalsContact C-N 3.28Å; T202-M204 PolarHBondContact O-N 2.96Å; T202-L205 PolarHBondContact O-N 2.87Å; T202-M206 HydrophobicContact CG2-CG 4.3Å; T202-M206 WeakPolarHBondContact O-CB 3.36Å; T202-M206 WeakPolarHBondContact O-CG 3.21Å; T202-M206 PolarHBondContact O-N 3.22Å
203Q97.7Very high96.3Very high13 Ų1342.9 Ų42.96%0.06122%0.22CC..Hα-helixtrans-58.1-41.1173.8178.2-165.1-40.700111.6M167 V171 T199 Q200 I201 M206 G207M167-Q203 HydrophobicContact CB-CG 4.14Å; V171-Q203 HydrophobicContact CG2-CB 4.12Å; T199-Q203 WeakPolarHBondContact O-CB 3.4Å; T199-Q203 PolarHBondContact O-N 3.3Å; Q200-Q203 WeakPolarHBondContact O-CB 3.24Å; Q200-Q203 PolarHBondContact O-N 3.34Å; I201-Q203 VanDerWaalsContact C-N 3.31Å; I201-Q203 PolarHBondContact O-N 2.79Å; Q203-M206 PolarHBondContact O-N 3.28Å; Q203-G207 PolarHBondContact O-N 2.92Å
204M97.3Very high96.5Very high4 Ų442.3 Ų42.32%0.0222%0.216CC..Hα-helixtrans-66.2-42.4179.2-59.8-51.6121.700112.2Q200 I201 T202 G207 C208 Y238 Y241 F242 F245Q200-M204 WeakPolarHBondContact O-CG 3.48Å; Q200-M204 PolarHBondContact O-N 3.3Å; Q200-M204 VanDerWaalsContact O-N 3.11Å; I201-M204 PolarHBondContact O-N 3.39Å; I201-M204 VanDerWaalsContact O-N 3.08Å; T202-M204 VanDerWaalsContact C-N 3.28Å; T202-M204 PolarHBondContact O-N 2.96Å; M204-G207 PolarHBondContact O-N 3.39Å; M204-C208 PolarHBondContact O-N 2.94Å; M204-C208 PolarHBondContact O-SG 3.02Å; M204-Y238 HydrophobicContact CE-CE1 4.48Å; M204-Y238 HydrophobicContact SD-CD1 3.7Å; M204-Y238 HydrophobicContact SD-CE1 3.97Å; M204-Y241 HydrophobicContact CE-CD2 4.49Å; M204-Y241 WeakPolarHBondContact SD-CB 3.47Å; M204-Y241 HydrophobicContact SD-CD2 3.61Å; M204-Y241 HydrophobicContact SD-CG 4.03Å; M204-F242 HydrophobicContact CB-CB 3.8Å; M204-F242 HydrophobicContact CB-CD2 4.33Å; M204-F245 HydrophobicContact CG-CD2 4.32Å
205L96.8Very high96.5Very high81 Ų8144.3 Ų44.342%0.42422%0.22SC..Hα-helixtrans-61.1-47.9175-73.8174.8000112I201 T202 G207 C208 V209 F242I201-L205 PolarHBondContact O-N 3.25Å; I201-L205 VanDerWaalsContact O-N 3.09Å; T202-L205 PolarHBondContact O-N 2.87Å; L205-G207 PolarHBondContact O-N 3.43Å; L205-C208 WeakPolarHBondContact O-CB 3.32Å; L205-C208 PolarHBondContact O-N 3.34Å; L205-C208 VanDerWaalsContact O-N 3.15Å; L205-V209 WeakPolarHBondContact O-CG2 3.43Å; L205-V209 PolarHBondContact O-N 3.27Å; L205-F242 HydrophobicContact CD1-CD2 4.48Å; L205-F242 HydrophobicContact CD1-CE2 3.79Å; L205-F242 HydrophobicContact CD2-CD2 3.64Å; L205-F242 HydrophobicContact CD2-CE1 4.3Å; L205-F242 HydrophobicContact CD2-CE2 3.3Å; L205-F242 HydrophobicContact CD2-CG 4.28Å; L205-F242 HydrophobicContact CD2-CZ 3.67Å; L205-F242 HydrophobicContact CG-CD2 3.67Å; L205-F242 HydrophobicContact CG-CE2 3.4Å; L205-F242 VanDerWaalsContact CG-CE2 3.4Å; L205-F242 HydrophobicContact CG-CZ 4.24Å
206M96.9Very high96.5Very high79 Ų7940.5 Ų40.539%0.38921%0.207SC..Hα-helixtrans-61-35.8176.4-70-60.5-64.200111.4M167 T202 Q203 V209 V210M167-M206 HydrophobicContact CE-CB 4.13Å; M167-M206 HydrophobicContact SD-CB 3.5Å; M167-M206 VanDerWaalsContact SD-CB 3.5Å; M167-M206 HydrophobicContact SD-CG 4.27Å; T202-M206 HydrophobicContact CG2-CG 4.3Å; T202-M206 WeakPolarHBondContact O-CB 3.36Å; T202-M206 WeakPolarHBondContact O-CG 3.21Å; T202-M206 PolarHBondContact O-N 3.22Å; Q203-M206 PolarHBondContact O-N 3.28Å; M206-V209 PolarHBondContact O-N 3.07Å; M206-V210 WeakPolarHBondContact O-CG2 3.29Å; M206-V210 PolarHBondContact O-N 2.95Å
207G96.6Very high96.4Very high0 Ų041.9 Ų41.90%021%0.212CC..Hα-helixtrans-61.6-43.9173.500000113.2Q203 M204 L205 V209 V210 N211Q203-G207 PolarHBondContact O-N 2.92Å; M204-G207 PolarHBondContact O-N 3.39Å; L205-G207 PolarHBondContact O-N 3.43Å; G207-V209 VanDerWaalsContact C-N 3.33Å; G207-V209 PolarHBondContact O-N 3.4Å; G207-V210 PolarHBondContact O-N 3Å; G207-N211 PolarHBondContact O-N 3.49Å; G207-N211 PolarHBondContact O-ND2 2.93Å
208C96.9Very high96.2Very high39 Ų3944 Ų4426%0.26422%0.222SC..Hα-helixtrans-60.9-41.2173-66.70000112.2M204 L205 N211 Y212M204-C208 PolarHBondContact O-N 2.94Å; M204-C208 PolarHBondContact O-SG 3.02Å; L205-C208 WeakPolarHBondContact O-CB 3.32Å; L205-C208 PolarHBondContact O-N 3.34Å; L205-C208 VanDerWaalsContact O-N 3.15Å; C208-N211 PolarHBondContact O-N 3.44Å; C208-Y212 PolarHBondContact O-N 2.8Å
209V97.3Very high95.8Very high72 Ų7245.6 Ų45.644%0.43623%0.228SC..Hα-helixtrans-63.1-46.3176.6173.60000111.1L205 M206 G207 N211 Y212 L213L205-V209 WeakPolarHBondContact O-CG2 3.43Å; L205-V209 PolarHBondContact O-N 3.27Å; M206-V209 PolarHBondContact O-N 3.07Å; G207-V209 VanDerWaalsContact C-N 3.33Å; G207-V209 PolarHBondContact O-N 3.4Å; V209-N211 VanDerWaalsContact C-N 3.35Å; V209-N211 PolarHBondContact O-N 2.93Å; V209-Y212 WeakPolarHBondContact O-CB 3.4Å; V209-Y212 PolarHBondContact O-N 3.09Å; V209-L213 HydrophobicContact CG1-CD1 4.05Å; V209-L213 HydrophobicContact CG1-CG 4.34Å; V209-L213 WeakPolarHBondContact O-CG 3.45Å; V209-L213 PolarHBondContact O-N 2.9Å
210V96.9Very high95.5Very high5 Ų549.2 Ų49.23%0.0324%0.242CC..Hα-helixtrans-60.4-44.5177.41730000110.8V96 W163 F164 M167 M206 G207 Y212 L213 V214V96-V210 HydrophobicContact CG1-CG1 4.18Å; W163-V210 HydrophobicContact CB-CG1 4.28Å; W163-V210 HydrophobicContact CB-CG2 3.99Å; W163-V210 HydrophobicContact CG-CG2 4.19Å; F164-V210 HydrophobicContact CE1-CB 3.83Å; F164-V210 HydrophobicContact CE1-CG1 3.8Å; F164-V210 HydrophobicContact CE2-CG1 4.24Å; F164-V210 HydrophobicContact CZ-CB 4.05Å; F164-V210 HydrophobicContact CZ-CG1 3.61Å; M167-V210 HydrophobicContact CE-CG2 4.36Å; M206-V210 WeakPolarHBondContact O-CG2 3.29Å; M206-V210 PolarHBondContact O-N 2.95Å; G207-V210 PolarHBondContact O-N 3Å; V210-Y212 VanDerWaalsContact C-N 3.34Å; V210-Y212 PolarHBondContact O-N 3.29Å; V210-L213 PolarHBondContact O-N 2.84Å; V210-V214 HydrophobicContact CG1-CG2 4.37Å; V210-V214 WeakPolarHBondContact O-CG2 3.5Å; V210-V214 PolarHBondContact O-N 2.87Å
211N96.2Very high94.4Very high4 Ų451.8 Ų51.82%0.02127%0.273CS..Hα-helixtrans-58.8-44.1175.2-80.2-40.4000112.6F164 G207 C208 V209 V214 Y215 S234F164-N211 WeakPolarHBondContact CZ-OD1 3.29Å; G207-N211 PolarHBondContact O-N 3.49Å; G207-N211 PolarHBondContact O-ND2 2.93Å; C208-N211 PolarHBondContact O-N 3.44Å; V209-N211 VanDerWaalsContact C-N 3.35Å; V209-N211 PolarHBondContact O-N 2.93Å; N211-V214 PolarHBondContact O-N 3.38Å; N211-Y215 WeakPolarHBondContact O-CB 3.21Å; N211-Y215 PolarHBondContact O-N 2.69Å; N211-S234 VanDerWaalsContact CG-OG 3.23Å; N211-S234 PolarHBondContact ND2-OG 3.15Å; N211-S234 VanDerWaalsContact OD1-CB 3.25Å; N211-S234 WeakPolarHBondContact OD1-CB 3.25Å; N211-S234 PolarHBondContact OD1-OG 3.04Å
212Y95.9Very high93.4Very high151 Ų15153.9 Ų53.959%0.59228%0.283SS*.Hα-helixtrans-61.8-42.7176.3171.7-98.8000112C208 V209 V210 Y215 S216C208-Y212 PolarHBondContact O-N 2.8Å; V209-Y212 WeakPolarHBondContact O-CB 3.4Å; V209-Y212 PolarHBondContact O-N 3.09Å; V210-Y212 VanDerWaalsContact C-N 3.34Å; V210-Y212 PolarHBondContact O-N 3.29Å; Y212-Y215 PolarHBondContact O-N 3.35Å; Y212-S216 VanDerWaalsContact O-CB 3.3Å; Y212-S216 WeakPolarHBondContact O-CB 3.32Å; Y212-S216 PolarHBondContact O-N 3.03Å
213L95.9Very high92.6Very high34 Ų3458.8 Ų58.818%0.17830%0.3CS..Hα-helixtrans-64.6-46.1178.1-70.7175.3000111.9L92 V96 V209 V210 Y215 S216 W217L92-L213 HydrophobicContact CD2-CD1 4.34Å; V96-L213 HydrophobicContact CG2-CD1 4.46Å; V209-L213 HydrophobicContact CG1-CD1 4.05Å; V209-L213 HydrophobicContact CG1-CG 4.34Å; V209-L213 WeakPolarHBondContact O-CG 3.45Å; V209-L213 PolarHBondContact O-N 2.9Å; V210-L213 PolarHBondContact O-N 2.84Å; L213-Y215 VanDerWaalsContact C-N 3.32Å; L213-Y215 PolarHBondContact O-N 2.97Å; L213-S216 PolarHBondContact O-N 3.33Å; L213-W217 HydrophobicContact CB-CE3 4.04Å; L213-W217 HydrophobicContact CB-CH2 3.95Å; L213-W217 HydrophobicContact CB-CZ3 3.61Å; L213-W217 HydrophobicContact CD1-CH2 4.05Å; L213-W217 HydrophobicContact CD1-CZ3 4.36Å; L213-W217 HydrophobicContact CD2-CH2 3.99Å; L213-W217 HydrophobicContact CD2-CZ2 4.09Å; L213-W217 HydrophobicContact CD2-CZ3 4.49Å; L213-W217 HydrophobicContact CG-CH2 4.22Å; L213-W217 HydrophobicContact CG-CZ3 4.37Å; L213-W217 VanDerWaalsContact O-CE3 3.31Å; L213-W217 PolarHBondContact O-N 2.87Å
214V95.2Very high92.1Very high1 Ų158.5 Ų58.51%0.00630%0.299CS..Hα-helixtrans-57.6-48.1174.7176.20000109.8V96 A159 V210 N211 S216 M218 I231V96-V214 HydrophobicContact CG1-CG2 3.47Å; V96-V214 VanDerWaalsContact CG1-CG2 3.47Å; A159-V214 HydrophobicContact CB-CG1 4.09Å; A159-V214 HydrophobicContact CB-CG2 4.28Å; V210-V214 HydrophobicContact CG1-CG2 4.37Å; V210-V214 WeakPolarHBondContact O-CG2 3.5Å; V210-V214 PolarHBondContact O-N 2.87Å; N211-V214 PolarHBondContact O-N 3.38Å; V214-S216 PolarHBondContact O-N 3.36Å; V214-M218 VanDerWaalsContact O-CB 3.27Å; V214-M218 WeakPolarHBondContact O-CB 3.14Å; V214-M218 PolarHBondContact O-N 2.96Å; V214-I231 HydrophobicContact CB-CD1 4.27Å; V214-I231 HydrophobicContact CG1-CD1 3.59Å; V214-I231 HydrophobicContact CG1-CG1 4.25Å
215Y94.8Very high91.6Very high106 Ų10660.7 Ų60.742%0.41631%0.314SS..Hα-helixtrans-58.6-49.3177.1176.6-100.4000112.2N211 Y212 L213 W217 M218 Q219 M228N211-Y215 WeakPolarHBondContact O-CB 3.21Å; N211-Y215 PolarHBondContact O-N 2.69Å; Y212-Y215 PolarHBondContact O-N 3.35Å; L213-Y215 VanDerWaalsContact C-N 3.32Å; L213-Y215 PolarHBondContact O-N 2.97Å; Y215-W217 PolarHBondContact O-N 3.4Å; Y215-M218 PolarHBondContact O-N 2.53Å; Y215-Q219 HydrophobicContact CD1-CG 4.43Å; Y215-Q219 HydrophobicContact CD2-CG 4.39Å; Y215-Q219 HydrophobicContact CE1-CG 4.02Å; Y215-Q219 HydrophobicContact CE2-CG 3.97Å; Y215-Q219 WeakPolarHBondContact O-CG 3.45Å; Y215-Q219 PolarHBondContact O-N 3.01Å; Y215-M228 HydrophobicContact CD2-CE 3.64Å; Y215-M228 HydrophobicContact CD2-SD 4.11Å; Y215-M228 HydrophobicContact CE2-CE 4.06Å; Y215-M228 HydrophobicContact CE2-SD 3.89Å
216S94.4Very high91.2Very high27 Ų2757.7 Ų57.719%0.18930%0.3CS..Hα-helixtrans-60.8-47-177-171.20000111.9Y212 L213 V214 Q219 Q220Y212-S216 VanDerWaalsContact O-CB 3.3Å; Y212-S216 WeakPolarHBondContact O-CB 3.32Å; Y212-S216 PolarHBondContact O-N 3.03Å; L213-S216 PolarHBondContact O-N 3.33Å; V214-S216 PolarHBondContact O-N 3.36Å; S216-Q219 PolarHBondContact O-N 3.41Å; S216-Q220 VanDerWaalsContact O-CG 3.28Å; S216-Q220 WeakPolarHBondContact O-CG 3.33Å; S216-Q220 PolarHBondContact O-N 2.87Å; S216-Q220 VanDerWaalsContact O-N 3.14Å; S216-Q220 PolarHBondContact O-NE2 3.4Å; S216-Q220 PolarHBondContact OG-NE2 2.95Å; S216-Q220 VanDerWaalsContact OG-NE2 3.08Å
217W93.9Very high90.9Very high35 Ų3558.5 Ų58.513%0.13330%0.302CS..Hα-helixtrans-70.3-34.3179.2-68.3-39.6000112.9L92 K93 V96 L213 Y215 Q219 Q220 Q222 C224L92-W217 HydrophobicContact CG-CH2 4.28Å; K93-W217 VanDerWaalsContact CA-CH2 3.41Å; K93-W217 HydrophobicContact CB-CD2 4.39Å; K93-W217 HydrophobicContact CB-CE3 4.49Å; K93-W217 HydrophobicContact CB-CH2 3.9Å; K93-W217 HydrophobicContact CB-CZ2 3.74Å; K93-W217 HydrophobicContact CB-CZ3 4.28Å; K93-W217 HydrophobicContact CD-CD2 4.44Å; K93-W217 HydrophobicContact CG-CD2 3.85Å; K93-W217 HydrophobicContact CG-CE3 4.07Å; K93-W217 HydrophobicContact CG-CG 4.35Å; K93-W217 HydrophobicContact CG-CH2 4.37Å; K93-W217 HydrophobicContact CG-CZ2 4.13Å; K93-W217 HydrophobicContact CG-CZ3 4.33Å; V96-W217 HydrophobicContact CB-CE3 4.42Å; V96-W217 HydrophobicContact CB-CH2 4.44Å; V96-W217 HydrophobicContact CB-CZ3 3.59Å; V96-W217 HydrophobicContact CG1-CE3 4.23Å; V96-W217 HydrophobicContact CG1-CZ3 3.7Å; V96-W217 HydrophobicContact CG2-CH2 4.4Å; V96-W217 HydrophobicContact CG2-CZ3 3.96Å; L213-W217 HydrophobicContact CB-CE3 4.04Å; L213-W217 HydrophobicContact CB-CH2 3.95Å; L213-W217 HydrophobicContact CB-CZ3 3.61Å; L213-W217 HydrophobicContact CD1-CH2 4.05Å; L213-W217 HydrophobicContact CD1-CZ3 4.36Å; L213-W217 HydrophobicContact CD2-CH2 3.99Å; L213-W217 HydrophobicContact CD2-CZ2 4.09Å; L213-W217 HydrophobicContact CD2-CZ3 4.49Å; L213-W217 HydrophobicContact CG-CH2 4.22Å; L213-W217 HydrophobicContact CG-CZ3 4.37Å; L213-W217 VanDerWaalsContact O-CE3 3.31Å; L213-W217 PolarHBondContact O-N 2.87Å; Y215-W217 PolarHBondContact O-N 3.4Å; W217-Q219 VanDerWaalsContact C-N 3.33Å; W217-Q219 PolarHBondContact O-N 2.88Å; W217-Q220 PolarHBondContact O-N 3.14Å; W217-Q222 HydrophobicContact CB-CB 4.47Å; W217-Q222 WeakPolarHBondContact O-CB 3.41Å; W217-Q222 PolarHBondContact O-N 2.98Å; W217-C224 HydrophobicContact CB-CB 4.32Å
218M92Very high90.6Very high51 Ų5161.8 Ų61.825%0.25132%0.319SS..Hα-helixtrans-63.4-39.5174.5-155.6-164.584.100111.8V214 Y215 G221 M228 I231V214-M218 VanDerWaalsContact O-CB 3.27Å; V214-M218 WeakPolarHBondContact O-CB 3.14Å; V214-M218 PolarHBondContact O-N 2.96Å; Y215-M218 PolarHBondContact O-N 2.53Å; M218-G221 PolarHBondContact O-N 2.71Å; M218-M228 HydrophobicContact CE-CE 3.03Å; M218-M228 HydrophobicContact CE-CG 3.89Å; M218-M228 HydrophobicContact CE-SD 3.5Å; M218-M228 WeakPolarHBondContact CE-SD 3.41Å; M218-M228 HydrophobicContact SD-CE 3.57Å; M218-M228 VanDerWaalsContact SD-CE 3.57Å; M218-I231 HydrophobicContact SD-CD1 4.48Å
219Q88.6Confident90.4Very high107 Ų10766.1 Ų66.150%0.534%0.335SS..Hα-helixtrans-71.6-28177.2-68.6-63.6-17.900113.4Y215 S216 W217 G221Y215-Q219 HydrophobicContact CD1-CG 4.43Å; Y215-Q219 HydrophobicContact CD2-CG 4.39Å; Y215-Q219 HydrophobicContact CE1-CG 4.02Å; Y215-Q219 HydrophobicContact CE2-CG 3.97Å; Y215-Q219 WeakPolarHBondContact O-CG 3.45Å; Y215-Q219 PolarHBondContact O-N 3.01Å; S216-Q219 PolarHBondContact O-N 3.41Å; W217-Q219 VanDerWaalsContact C-N 3.33Å; W217-Q219 PolarHBondContact O-N 2.88Å; Q219-G221 PolarHBondContact O-N 3.17Å; Q219-G221 VanDerWaalsContact O-N 3.15Å
220Q89Confident90.2Very high109 Ų10962.8 Ų62.851%0.50932%0.315SS..THydrogen-bonded Turntrans-75.38.2176-70.1169.532.900113.2S216 W217 Q222S216-Q220 VanDerWaalsContact O-CG 3.28Å; S216-Q220 WeakPolarHBondContact O-CG 3.33Å; S216-Q220 PolarHBondContact O-N 2.87Å; S216-Q220 VanDerWaalsContact O-N 3.14Å; S216-Q220 PolarHBondContact O-NE2 3.4Å; S216-Q220 PolarHBondContact OG-NE2 2.95Å; S216-Q220 VanDerWaalsContact OG-NE2 3.08Å; W217-Q220 PolarHBondContact O-N 3.14Å; Q220-Q222 HydrophobicContact CB-CG 3.97Å; Q220-Q222 PolarHBondContact O-N 3.34Å
221G75.9Confident90.1Very high72 Ų7263 Ų6374%0.74232%0.315SS*.THydrogen-bonded Turntrans67.418.3-176.700000113.3M218 Q219M218-G221 PolarHBondContact O-N 2.71Å; Q219-G221 PolarHBondContact O-N 3.17Å; Q219-G221 VanDerWaalsContact O-N 3.15Å
222Q75.7Confident90Very high63 Ų6366.6 Ų66.629%0.29434%0.338SS..  trans-87.8147178.7-56.7-178.7-200109.8W217 Q220 C224W217-Q222 HydrophobicContact CB-CB 4.47Å; W217-Q222 WeakPolarHBondContact O-CB 3.41Å; W217-Q222 PolarHBondContact O-N 2.98Å; Q220-Q222 HydrophobicContact CB-CG 3.97Å; Q220-Q222 PolarHBondContact O-N 3.34Å; Q222-C224 PolarHBondContact O-N 3.09Å
223E81.4Confident90Very high182 Ų18266.6 Ų66.685%0.8534%0.337SS*.  trans-63.894.2177-65.6-175.3167.800110.8
224C87.1Confident90Very high6 Ų665 Ų654%0.04133%0.328CS..  trans-134.586.7170.8-154.80000108.2C97 W217 Q222 S226C97-C224 HydrophobicContact CB-CB 3.9Å; C97-C224 WeakPolarHBondContact CB-SG 3.26Å; C97-C224 WeakPolarHBondContact SG-CB 3.32Å; C97-C224 CovalentContact SG-SG 2.05Å; C97-C224 PolarHBondContact SG-SG 3.26Å; W217-C224 HydrophobicContact CB-CB 4.32Å; Q222-C224 PolarHBondContact O-N 3.09Å; C224-S226 PolarHBondContact O-N 2.75Å
225P86.1Confident90Very high51 Ų5166.9 Ų66.933%0.33134%0.342SS..  trans-68.7101.7-169.227.8-36.5000111Q99 A159Q99-P225 HydrophobicContact CG-CB 4.29Å; Q99-P225 HydrophobicContact CG-CG 3.36Å; A159-P225 WeakPolarHBondContact CB-O 3.3Å; A159-P225 PolarHBondContact N-O 3.4Å
226S89.3Confident90.1Very high17 Ų1766.4 Ų66.412%0.11935%0.346CS..  trans-155.1174.7177-1660000110.2C224C224-S226 PolarHBondContact O-N 2.75Å
227H90.1Very high90.2Very high97 Ų9765.7 Ų65.745%0.44934%0.34SS..  trans-122.4141.3-180-58.2-56.1000110.8D156 Q229 N230 I231D156-H227 IonicContact OD2-CD2 2.93Å; H227-Q229 VanDerWaalsContact C-N 3.25Å; H227-Q229 PolarHBondContact O-N 3.34Å; H227-N230 HydrophobicContact CB-CB 4.36Å; H227-N230 WeakPolarHBondContact O-CB 3.25Å; H227-N230 PolarHBondContact O-N 3.22Å; H227-I231 PolarHBondContact O-N 3.26Å
228M90.1Very high90.4Very high69 Ų6964.7 Ų64.734%0.3434%0.336SS..Hα-helixtrans-55.5-40.5178.7-66.7-73.775.300112.9Y215 M218 N230 I231 V232Y215-M228 HydrophobicContact CD2-CE 3.64Å; Y215-M228 HydrophobicContact CD2-SD 4.11Å; Y215-M228 HydrophobicContact CE2-CE 4.06Å; Y215-M228 HydrophobicContact CE2-SD 3.89Å; M218-M228 HydrophobicContact CE-CE 3.03Å; M218-M228 HydrophobicContact CE-CG 3.89Å; M218-M228 HydrophobicContact CE-SD 3.5Å; M218-M228 WeakPolarHBondContact CE-SD 3.41Å; M218-M228 HydrophobicContact SD-CE 3.57Å; M218-M228 VanDerWaalsContact SD-CE 3.57Å; M228-N230 VanDerWaalsContact C-N 3.31Å; M228-N230 PolarHBondContact O-N 2.9Å; M228-I231 HydrophobicContact CE-CB 4.48Å; M228-I231 HydrophobicContact CE-CD1 3.58Å; M228-I231 HydrophobicContact CE-CG1 4.39Å; M228-I231 PolarHBondContact O-N 2.96Å; M228-V232 VanDerWaalsContact O-CG2 3.29Å; M228-V232 WeakPolarHBondContact O-CG2 3.31Å; M228-V232 PolarHBondContact O-N 3.41Å
229Q92.4Very high90.6Very high129 Ų12966.7 Ų66.760%0.60335%0.347SS*.Hα-helixtrans-60.4-41.3176-67.7-178.4-16.700111.9H227 V232 W233H227-Q229 VanDerWaalsContact C-N 3.25Å; H227-Q229 PolarHBondContact O-N 3.34Å; Q229-V232 PolarHBondContact O-N 3.01Å; Q229-W233 PolarHBondContact O-N 2.92Å
230N93.1Very high91Very high3 Ų363 Ų632%0.01633%0.333CS..Hα-helixtrans-65-46.5178.7-169.3-75.9000111.1Y149 Y152 S153 V158 H227 M228 V232 W233 S234Y149-N230 PolarHBondContact OH-OD1 2.9Å; Y152-N230 HydrophobicContact CE1-CB 4.31Å; S153-N230 PolarHBondContact OG-ND2 3.13Å; V158-N230 HydrophobicContact CG1-CB 4.19Å; H227-N230 HydrophobicContact CB-CB 4.36Å; H227-N230 WeakPolarHBondContact O-CB 3.25Å; H227-N230 PolarHBondContact O-N 3.22Å; M228-N230 VanDerWaalsContact C-N 3.31Å; M228-N230 PolarHBondContact O-N 2.9Å; N230-V232 VanDerWaalsContact C-N 3.32Å; N230-V232 PolarHBondContact O-N 3.22Å; N230-W233 PolarHBondContact O-N 3.42Å; N230-S234 WeakPolarHBondContact O-CB 3.48Å; N230-S234 PolarHBondContact O-N 3.28Å
231I94.1Very high91.4Very high8 Ų858 Ų584%0.04131%0.309CS..Hα-helixtrans-60.8-41.7178-62.3-176.1000111.1V214 M218 H227 M228 S235V214-I231 HydrophobicContact CB-CD1 4.27Å; V214-I231 HydrophobicContact CG1-CD1 3.59Å; V214-I231 HydrophobicContact CG1-CG1 4.25Å; M218-I231 HydrophobicContact SD-CD1 4.48Å; H227-I231 PolarHBondContact O-N 3.26Å; M228-I231 HydrophobicContact CE-CB 4.48Å; M228-I231 HydrophobicContact CE-CD1 3.58Å; M228-I231 HydrophobicContact CE-CG1 4.39Å; M228-I231 PolarHBondContact O-N 2.96Å; I231-S235 WeakPolarHBondContact O-CB 3.49Å; I231-S235 PolarHBondContact O-N 3.09Å; I231-S235 PolarHBondContact O-OG 3.44Å
232V95.2Very high92.4Very high81 Ų8157.1 Ų57.149%0.49129%0.285SS..Hα-helixtrans-62.1-51.5176.1169.80000110.8M228 Q229 N230 S234 S235 L236M228-V232 VanDerWaalsContact O-CG2 3.29Å; M228-V232 WeakPolarHBondContact O-CG2 3.31Å; M228-V232 PolarHBondContact O-N 3.41Å; Q229-V232 PolarHBondContact O-N 3.01Å; N230-V232 VanDerWaalsContact C-N 3.32Å; N230-V232 PolarHBondContact O-N 3.22Å; V232-S234 PolarHBondContact O-N 3.36Å; V232-S235 PolarHBondContact O-N 3.47Å; V232-L236 HydrophobicContact CG1-CD1 4.01Å; V232-L236 HydrophobicContact CG1-CG 4.48Å; V232-L236 WeakPolarHBondContact O-CB 3.31Å; V232-L236 VanDerWaalsContact O-CG 3.32Å; V232-L236 WeakPolarHBondContact O-CG 3.25Å; V232-L236 PolarHBondContact O-N 3.42Å
233W95.3Very high93.5Very high151 Ų15158 Ų5857%0.57230%0.295SS*.Hα-helixtrans-62.7-41.1179.3-69.7127.5000112.8Q229 N230 L236 M237Q229-W233 PolarHBondContact O-N 2.92Å; N230-W233 PolarHBondContact O-N 3.42Å; W233-L236 HydrophobicContact CE3-CD1 4.01Å; W233-L236 HydrophobicContact CZ3-CD1 4.06Å; W233-M237 WeakPolarHBondContact O-CB 3.43Å; W233-M237 PolarHBondContact O-N 2.92Å
234S96Very high94.2Very high0 Ų050.9 Ų50.90%026%0.262CS..Hα-helixtrans-61.2-48.2174.9-172.50000111.4Y149 N211 N230 V232 L236 M237 Y238Y149-S234 WeakPolarHBondContact OH-CB 3.49Å; Y149-S234 PolarHBondContact OH-OG 2.98Å; N211-S234 VanDerWaalsContact CG-OG 3.23Å; N211-S234 PolarHBondContact ND2-OG 3.15Å; N211-S234 VanDerWaalsContact OD1-CB 3.25Å; N211-S234 WeakPolarHBondContact OD1-CB 3.25Å; N211-S234 PolarHBondContact OD1-OG 3.04Å; N230-S234 WeakPolarHBondContact O-CB 3.48Å; N230-S234 PolarHBondContact O-N 3.28Å; V232-S234 PolarHBondContact O-N 3.36Å; S234-L236 PolarHBondContact O-N 3.46Å; S234-M237 PolarHBondContact O-N 2.65Å; S234-Y238 WeakPolarHBondContact O-CB 3.4Å; S234-Y238 WeakPolarHBondContact O-CD2 3.5Å; S234-Y238 PolarHBondContact O-N 3.02Å
235S95.8Very high94.6Very high41 Ų4151.5 Ų51.529%0.28726%0.264SS..Hα-helixtrans-64.1-43.3-178.9-59.50000111.4I231 V232 L239I231-S235 WeakPolarHBondContact O-CB 3.49Å; I231-S235 PolarHBondContact O-N 3.09Å; I231-S235 PolarHBondContact O-OG 3.44Å; V232-S235 PolarHBondContact O-N 3.47Å; S235-L239 WeakPolarHBondContact O-CB 3.33Å; S235-L239 PolarHBondContact O-N 3.43Å
236L96.6Very high95Very high95 Ų9551 Ų5150%0.49726%0.26SS..Hα-helixtrans-60.8-44.6174.9-73.4175.5000111.8V232 W233 S234 S240V232-L236 HydrophobicContact CG1-CD1 4.01Å; V232-L236 HydrophobicContact CG1-CG 4.48Å; V232-L236 WeakPolarHBondContact O-CB 3.31Å; V232-L236 VanDerWaalsContact O-CG 3.32Å; V232-L236 WeakPolarHBondContact O-CG 3.25Å; V232-L236 PolarHBondContact O-N 3.42Å; W233-L236 HydrophobicContact CE3-CD1 4.01Å; W233-L236 HydrophobicContact CZ3-CD1 4.06Å; S234-L236 PolarHBondContact O-N 3.46Å; L236-S240 VanDerWaalsContact O-CB 3.31Å; L236-S240 WeakPolarHBondContact O-CB 3.43Å; L236-S240 PolarHBondContact O-N 2.95Å; L236-S240 PolarHBondContact O-OG 3.21Å
237M97Very high95.3Very high13 Ų1355 Ų556%0.06428%0.277CS..Hα-helixtrans-64.4-50.2178.5-177.6-168.865.800111.8Y149 W233 S234 L239 S240 Y241Y149-M237 HydrophobicContact CD1-CE 3.34Å; Y149-M237 HydrophobicContact CD1-SD 3.79Å; Y149-M237 HydrophobicContact CE1-CE 3.66Å; Y149-M237 HydrophobicContact CG-CE 3.85Å; Y149-M237 HydrophobicContact CG-SD 3.78Å; W233-M237 WeakPolarHBondContact O-CB 3.43Å; W233-M237 PolarHBondContact O-N 2.92Å; S234-M237 PolarHBondContact O-N 2.65Å; M237-L239 PolarHBondContact O-N 2.95Å; M237-S240 PolarHBondContact O-N 3.49Å; M237-S240 PolarHBondContact O-OG 3.4Å; M237-Y241 HydrophobicContact CE-CE2 4.28Å; M237-Y241 HydrophobicContact CG-CD2 4.07Å; M237-Y241 HydrophobicContact CG-CE1 3.96Å; M237-Y241 HydrophobicContact CG-CE2 3.41Å; M237-Y241 VanDerWaalsContact CG-CE2 3.41Å; M237-Y241 WeakPolarHBondContact CG-OH 3.44Å; M237-Y241 WeakPolarHBondContact O-CB 3.5Å; M237-Y241 WeakPolarHBondContact O-CD1 3.38Å; M237-Y241 PolarHBondContact O-N 3.19Å; M237-Y241 HydrophobicContact SD-CE2 3.75Å; M237-Y241 PolarHBondContact SD-OH 3.23Å
238Y96.9Very high95.5Very high13 Ų1353.5 Ų53.55%0.05127%0.269CS..Hα-helixtrans-65.9-38.7-179-89.5-77.1000112.3F164 M204 S234 F242F164-Y238 HydrophobicContact CD1-CE1 4.5Å; F164-Y238 AromaticContact CD1-CE2 3.57Å; F164-Y238 HydrophobicContact CD1-CE2 3.57Å; F164-Y238 AromaticContact CD1-CZ 3.5Å; F164-Y238 VanDerWaalsContact CD1-CZ 3.5Å; F164-Y238 WeakPolarHBondContact CD1-OH 3.18Å; F164-Y238 HydrophobicContact CE1-CD2 4.3Å; F164-Y238 AromaticContact CE1-CE2 3.63Å; F164-Y238 HydrophobicContact CE1-CE2 3.63Å; F164-Y238 AromaticContact CE1-CZ 3.94Å; F164-Y238 HydrophobicContact CG-CE2 4.2Å; F164-Y238 HydrophobicContact CZ-CE2 4.32Å; M204-Y238 HydrophobicContact CE-CE1 4.48Å; M204-Y238 HydrophobicContact SD-CD1 3.7Å; M204-Y238 HydrophobicContact SD-CE1 3.97Å; S234-Y238 WeakPolarHBondContact O-CB 3.4Å; S234-Y238 WeakPolarHBondContact O-CD2 3.5Å; S234-Y238 PolarHBondContact O-N 3.02Å; Y238-F242 WeakPolarHBondContact O-CB 3.35Å; Y238-F242 PolarHBondContact O-N 2.69Å
239L96.8Very high95.7Very high93 Ų9351.6 Ų51.649%0.48726%0.259SS..Hα-helixtrans-66.5-43.6175.5-177.861.6000111.6S235 M237 Y241 F242 V243S235-L239 WeakPolarHBondContact O-CB 3.33Å; S235-L239 PolarHBondContact O-N 3.43Å; M237-L239 PolarHBondContact O-N 2.95Å; L239-Y241 VanDerWaalsContact C-N 3.34Å; L239-Y241 PolarHBondContact O-N 3.37Å; L239-F242 WeakPolarHBondContact O-CB 3.47Å; L239-F242 PolarHBondContact O-N 3.13Å; L239-V243 WeakPolarHBondContact O-CG2 3.33Å; L239-V243 PolarHBondContact O-N 2.9Å; L239-V243 VanDerWaalsContact O-N 3.09Å
240S97.6Very high95.8Very high29 Ų2950.7 Ų50.720%0.20325%0.253CS..Hα-helixtrans-63.2-42.117874.90000111.3Y141 L236 M237 V243 L244Y141-S240 WeakPolarHBondContact CE1-OG 3.44Å; Y141-S240 PolarHBondContact OH-OG 3.09Å; L236-S240 VanDerWaalsContact O-CB 3.31Å; L236-S240 WeakPolarHBondContact O-CB 3.43Å; L236-S240 PolarHBondContact O-N 2.95Å; L236-S240 PolarHBondContact O-OG 3.21Å; M237-S240 PolarHBondContact O-N 3.49Å; M237-S240 PolarHBondContact O-OG 3.4Å; S240-V243 PolarHBondContact O-N 2.84Å; S240-L244 VanDerWaalsContact O-CG 3.25Å; S240-L244 WeakPolarHBondContact O-CG 3.44Å; S240-L244 PolarHBondContact O-N 3.46Å
241Y97.4Very high95.7Very high4 Ų456.1 Ų56.12%0.01628%0.279CS..Hα-helixtrans-63.5-44174.9-65.9-9.4000112Y141 H142 T145 V146 M204 M237 L239 V243 L244 F245Y141-Y241 HydrophobicContact CD1-CD1 4.29Å; Y141-Y241 AromaticContact CD1-CE1 3.97Å; Y141-Y241 HydrophobicContact CD1-CE1 3.97Å; Y141-Y241 AromaticContact CE1-CD1 3.84Å; Y141-Y241 HydrophobicContact CE1-CD1 3.84Å; Y141-Y241 AromaticContact CE1-CE1 3.62Å; Y141-Y241 HydrophobicContact CE1-CE1 3.62Å; H142-Y241 HydrophobicContact CB-CE1 4.16Å; H142-Y241 AromaticContact CD2-CD2 3.89Å; H142-Y241 AromaticContact CD2-CE2 3.47Å; H142-Y241 VanDerWaalsContact CD2-CE2 3.47Å; H142-Y241 WeakPolarHBondContact CD2-CE2 3.45Å; H142-Y241 AromaticContact CD2-CZ 3.54Å; H142-Y241 PolarHBondContact O-OH 2.95Å; T145-Y241 WeakPolarHBondContact CB-OH 3.29Å; T145-Y241 WeakPolarHBondContact OG1-CE1 3.22Å; T145-Y241 PolarHBondContact OG1-OH 3.28Å; V146-Y241 PolarHBondContact N-OH 3.02Å; V146-Y241 VanDerWaalsContact N-OH 3.16Å; M204-Y241 HydrophobicContact CE-CD2 4.49Å; M204-Y241 WeakPolarHBondContact SD-CB 3.47Å; M204-Y241 HydrophobicContact SD-CD2 3.61Å; M204-Y241 HydrophobicContact SD-CG 4.03Å; M237-Y241 HydrophobicContact CE-CE2 4.28Å; M237-Y241 HydrophobicContact CG-CD2 4.07Å; M237-Y241 HydrophobicContact CG-CE1 3.96Å; M237-Y241 HydrophobicContact CG-CE2 3.41Å; M237-Y241 VanDerWaalsContact CG-CE2 3.41Å; M237-Y241 WeakPolarHBondContact CG-OH 3.44Å; M237-Y241 WeakPolarHBondContact O-CB 3.5Å; M237-Y241 WeakPolarHBondContact O-CD1 3.38Å; M237-Y241 PolarHBondContact O-N 3.19Å; M237-Y241 HydrophobicContact SD-CE2 3.75Å; M237-Y241 PolarHBondContact SD-OH 3.23Å; L239-Y241 VanDerWaalsContact C-N 3.34Å; L239-Y241 PolarHBondContact O-N 3.37Å; Y241-V243 VanDerWaalsContact C-N 3.34Å; Y241-V243 PolarHBondContact O-N 3.47Å; Y241-L244 PolarHBondContact O-N 3.45Å; Y241-F245 WeakPolarHBondContact O-CB 3.45Å; Y241-F245 VanDerWaalsContact O-CD2 3.3Å; Y241-F245 WeakPolarHBondContact O-CD2 3.02Å; Y241-F245 PolarHBondContact O-N 3.44Å
242F97.3Very high95.4Very high55 Ų5557 Ų5724%0.24129%0.287CS..Hα-helixtrans-53.9-51.8176.8174.4-106.7000111.1I201 M204 L205 Y238 L239 L244 F245 V246I201-F242 HydrophobicContact CG2-CD2 4.04Å; I201-F242 HydrophobicContact CG2-CE2 3.72Å; M204-F242 HydrophobicContact CB-CB 3.8Å; M204-F242 HydrophobicContact CB-CD2 4.33Å; L205-F242 HydrophobicContact CD1-CD2 4.48Å; L205-F242 HydrophobicContact CD1-CE2 3.79Å; L205-F242 HydrophobicContact CD2-CD2 3.64Å; L205-F242 HydrophobicContact CD2-CE1 4.3Å; L205-F242 HydrophobicContact CD2-CE2 3.3Å; L205-F242 HydrophobicContact CD2-CG 4.28Å; L205-F242 HydrophobicContact CD2-CZ 3.67Å; L205-F242 HydrophobicContact CG-CD2 3.67Å; L205-F242 HydrophobicContact CG-CE2 3.4Å; L205-F242 VanDerWaalsContact CG-CE2 3.4Å; L205-F242 HydrophobicContact CG-CZ 4.24Å; Y238-F242 WeakPolarHBondContact O-CB 3.35Å; Y238-F242 PolarHBondContact O-N 2.69Å; L239-F242 WeakPolarHBondContact O-CB 3.47Å; L239-F242 PolarHBondContact O-N 3.13Å; F242-L244 PolarHBondContact O-N 3.09Å; F242-F245 PolarHBondContact O-N 3.32Å; F242-V246 HydrophobicContact CD2-CG2 4.11Å; F242-V246 HydrophobicContact CE1-CG2 4.27Å; F242-V246 HydrophobicContact CE2-CG2 3.7Å; F242-V246 HydrophobicContact CZ-CG2 3.8Å; F242-V246 WeakPolarHBondContact O-CB 3.22Å; F242-V246 VanDerWaalsContact O-CG2 3.24Å; F242-V246 WeakPolarHBondContact O-CG2 3.27Å; F242-V246 PolarHBondContact O-N 3.38Å
243V97.2Very high95.2Very high81 Ų8154.4 Ų54.449%0.49127%0.269SS..Hα-helixtrans-59.6-47.3179.1173.70000111.2L239 S240 Y241 V246 Q247L239-V243 WeakPolarHBondContact O-CG2 3.33Å; L239-V243 PolarHBondContact O-N 2.9Å; L239-V243 VanDerWaalsContact O-N 3.09Å; S240-V243 PolarHBondContact O-N 2.84Å; Y241-V243 VanDerWaalsContact C-N 3.34Å; Y241-V243 PolarHBondContact O-N 3.47Å; V243-V246 PolarHBondContact O-N 2.05Å; V243-Q247 WeakPolarHBondContact O-CB 3.32Å; V243-Q247 PolarHBondContact O-N 3.18Å
244L96.3Very high94.9Very high32 Ų3251 Ų5117%0.16826%0.261CS..Hα-helixtrans-67.3-37.9-177.8-68.1168.7000113F137 L138 Y141 S240 Y241 F242 F248F137-L244 HydrophobicContact CD1-CD1 4.45Å; F137-L244 HydrophobicContact CD1-CD2 4.09Å; F137-L244 HydrophobicContact CE1-CD1 4.12Å; F137-L244 HydrophobicContact CE1-CD2 4.16Å; L138-L244 HydrophobicContact CD1-CB 3.61Å; L138-L244 HydrophobicContact CD1-CD1 3.98Å; L138-L244 HydrophobicContact CD1-CG 4.43Å; L138-L244 HydrophobicContact CD2-CB 4.47Å; L138-L244 HydrophobicContact CG-CB 4.42Å; Y141-L244 HydrophobicContact CD1-CD1 3.63Å; Y141-L244 HydrophobicContact CE1-CD1 3.77Å; S240-L244 VanDerWaalsContact O-CG 3.25Å; S240-L244 WeakPolarHBondContact O-CG 3.44Å; S240-L244 PolarHBondContact O-N 3.46Å; Y241-L244 PolarHBondContact O-N 3.45Å; F242-L244 PolarHBondContact O-N 3.09Å; L244-F248 VanDerWaalsContact O-CB 3.3Å; L244-F248 WeakPolarHBondContact O-CB 3.35Å; L244-F248 PolarHBondContact O-N 2.82Å
245F95.1Very high93.7Very high20 Ų2053 Ų539%0.08828%0.282CS..Hα-helixtrans-70.6-38176.4-89.2-74.8000112L138 Q200 I201 M204 Y241 F242 F248 F249L138-F245 HydrophobicContact CD1-CD2 4.18Å; L138-F245 HydrophobicContact CD1-CE2 4.02Å; L138-F245 HydrophobicContact CD1-CZ 4.44Å; L138-F245 HydrophobicContact CD2-CD1 3.99Å; L138-F245 HydrophobicContact CD2-CD2 4.38Å; L138-F245 HydrophobicContact CD2-CE1 4Å; L138-F245 HydrophobicContact CD2-CE2 4.4Å; L138-F245 HydrophobicContact CD2-CG 4.18Å; L138-F245 HydrophobicContact CD2-CZ 4.22Å; Q200-F245 HydrophobicContact CB-CD1 4.11Å; Q200-F245 HydrophobicContact CB-CE1 3.97Å; Q200-F245 HydrophobicContact CB-CZ 4.34Å; Q200-F245 HydrophobicContact CG-CE1 4.33Å; I201-F245 HydrophobicContact CG1-CB 3.74Å; M204-F245 HydrophobicContact CG-CD2 4.32Å; Y241-F245 WeakPolarHBondContact O-CB 3.45Å; Y241-F245 VanDerWaalsContact O-CD2 3.3Å; Y241-F245 WeakPolarHBondContact O-CD2 3.02Å; Y241-F245 PolarHBondContact O-N 3.44Å; F242-F245 PolarHBondContact O-N 3.32Å; F245-F248 PolarHBondContact O-N 2.98Å; F245-F249 WeakPolarHBondContact O-CB 3.34Å; F245-F249 PolarHBondContact O-N 3.47Å
246V95.8Very high91.9Very high40 Ų4057.9 Ų57.924%0.24230%0.297CS..Hα-helixtrans-62.6-48.2173.1169.40000110.1I201 F242 V243 F248 F249 F250I201-V246 HydrophobicContact CD1-CG2 4.31Å; I201-V246 HydrophobicContact CG1-CG2 4.42Å; I201-V246 HydrophobicContact CG2-CG2 4.06Å; F242-V246 HydrophobicContact CD2-CG2 4.11Å; F242-V246 HydrophobicContact CE1-CG2 4.27Å; F242-V246 HydrophobicContact CE2-CG2 3.7Å; F242-V246 HydrophobicContact CZ-CG2 3.8Å; F242-V246 WeakPolarHBondContact O-CB 3.22Å; F242-V246 VanDerWaalsContact O-CG2 3.24Å; F242-V246 WeakPolarHBondContact O-CG2 3.27Å; F242-V246 PolarHBondContact O-N 3.38Å; V243-V246 PolarHBondContact O-N 2.05Å; V246-F248 PolarHBondContact O-N 3.49Å; V246-F249 WeakPolarHBondContact O-CB 3.31Å; V246-F249 PolarHBondContact O-N 3.29Å; V246-F249 VanDerWaalsContact O-N 3.15Å; V246-F250 HydrophobicContact CG1-CD2 3.76Å; V246-F250 HydrophobicContact CG1-CE2 3.56Å; V246-F250 WeakPolarHBondContact O-CD2 3.11Å; V246-F250 PolarHBondContact O-N 2.98Å
247Q95.4Very high89.7Confident100 Ų10057 Ų5747%0.46730%0.299SS..Hα-helixtrans-56.8-48.8174.8-178.8-177.5-11.700111.4V243 F249 F250 E251V243-Q247 WeakPolarHBondContact O-CB 3.32Å; V243-Q247 PolarHBondContact O-N 3.18Å; Q247-F249 VanDerWaalsContact C-N 3.29Å; Q247-F249 PolarHBondContact O-N 3.45Å; Q247-F250 PolarHBondContact O-N 2.91Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.39Å; Q247-E251 PolarHBondContact NE2-OE1 3.38Å; Q247-E251 WeakPolarHBondContact O-CG 3.5Å; Q247-E251 PolarHBondContact O-N 3.03Å
248F94Very high87.2Confident66 Ų6661.8 Ų61.829%0.28933%0.325SS..Hα-helixtrans-57.4-41.8176.5172.1-98.4000112.1I136 L138 T197 L244 F245 V246 E251 A252I136-F248 HydrophobicContact CD1-CD2 4.2Å; I136-F248 HydrophobicContact CD1-CE2 4.19Å; L138-F248 HydrophobicContact CD2-CB 4.05Å; L138-F248 HydrophobicContact CD2-CG 4.36Å; T197-F248 HydrophobicContact CG2-CD1 3.82Å; T197-F248 HydrophobicContact CG2-CE1 4Å; L244-F248 VanDerWaalsContact O-CB 3.3Å; L244-F248 WeakPolarHBondContact O-CB 3.35Å; L244-F248 PolarHBondContact O-N 2.82Å; F245-F248 PolarHBondContact O-N 2.98Å; V246-F248 PolarHBondContact O-N 3.49Å; F248-E251 PolarHBondContact O-N 3.49Å; F248-A252 HydrophobicContact CE1-CB 4.33Å; F248-A252 HydrophobicContact CE2-CB 4.33Å; F248-A252 HydrophobicContact CZ-CB 4.14Å; F248-A252 WeakPolarHBondContact O-CB 3.3Å; F248-A252 PolarHBondContact O-N 3.01Å
249F94.3Very high84.6Confident29 Ų2964.9 Ų64.913%0.12735%0.349CS..Hα-helixtrans-62.1-46.6178.4-177.2-88.8000111.8M194 T197 L198 I201 F245 V246 Q247 A252 Y253 I254M194-F249 HydrophobicContact CG-CE2 3.56Å; M194-F249 HydrophobicContact CG-CZ 3.93Å; M194-F249 HydrophobicContact SD-CZ 4.4Å; T197-F249 HydrophobicContact CG2-CB 4.17Å; T197-F249 HydrophobicContact CG2-CD2 3.84Å; L198-F249 HydrophobicContact CD1-CE2 4.43Å; L198-F249 HydrophobicContact CD2-CD2 4.18Å; L198-F249 HydrophobicContact CD2-CE2 3.56Å; L198-F249 HydrophobicContact CD2-CZ 3.8Å; L198-F249 HydrophobicContact CG-CD2 4.49Å; L198-F249 HydrophobicContact CG-CE2 3.74Å; L198-F249 HydrophobicContact CG-CZ 4.27Å; I201-F249 HydrophobicContact CD1-CB 3.86Å; I201-F249 HydrophobicContact CD1-CD2 4.21Å; I201-F249 HydrophobicContact CD1-CG 4.13Å; F245-F249 WeakPolarHBondContact O-CB 3.34Å; F245-F249 PolarHBondContact O-N 3.47Å; V246-F249 WeakPolarHBondContact O-CB 3.31Å; V246-F249 PolarHBondContact O-N 3.29Å; V246-F249 VanDerWaalsContact O-N 3.15Å; Q247-F249 VanDerWaalsContact C-N 3.29Å; Q247-F249 PolarHBondContact O-N 3.45Å; F249-A252 PolarHBondContact O-N 3.33Å; F249-Y253 AromaticContact CD2-CD2 3.5Å; F249-Y253 HydrophobicContact CD2-CD2 3.5Å; F249-Y253 AromaticContact CD2-CE2 3.93Å; F249-Y253 HydrophobicContact CD2-CE2 3.93Å; F249-Y253 HydrophobicContact CD2-CG 4.48Å; F249-Y253 AromaticContact CE2-CD2 3.76Å; F249-Y253 HydrophobicContact CE2-CD2 3.76Å; F249-Y253 HydrophobicContact CE2-CE2 4.29Å; F249-Y253 HydrophobicContact CE2-CG 4.39Å; F249-Y253 AromaticContact CG-CD2 4Å; F249-Y253 HydrophobicContact CG-CD2 4Å; F249-Y253 HydrophobicContact CZ-CD2 4.45Å; F249-Y253 WeakPolarHBondContact O-CB 3.19Å; F249-Y253 WeakPolarHBondContact O-CD2 3.37Å; F249-Y253 PolarHBondContact O-N 3.38Å; F249-I254 HydrophobicContact CD1-CD1 4.11Å; F249-I254 HydrophobicContact CE1-CD1 3.8Å; F249-I254 HydrophobicContact CE1-CG1 4.32Å
250F93.6Very high81.7Confident110 Ų11064.6 Ų64.648%0.48236%0.355SS..Iπ-helixtrans-60.4-47.5176.1-81.2-72.6000111.5V246 Q247 I254 G255V246-F250 HydrophobicContact CG1-CD2 3.76Å; V246-F250 HydrophobicContact CG1-CE2 3.56Å; V246-F250 WeakPolarHBondContact O-CD2 3.11Å; V246-F250 PolarHBondContact O-N 2.98Å; Q247-F250 PolarHBondContact O-N 2.91Å; F250-I254 HydrophobicContact CD1-CB 4.12Å; F250-I254 HydrophobicContact CD1-CD1 3.4Å; F250-I254 HydrophobicContact CD1-CG1 4.3Å; F250-I254 HydrophobicContact CD1-CG2 4.29Å; F250-I254 HydrophobicContact CE1-CD1 3.45Å; F250-I254 VanDerWaalsContact CE1-CD1 3.45Å; F250-I254 HydrophobicContact CG-CD1 4.34Å; F250-I254 HydrophobicContact CZ-CD1 4.43Å; F250-I254 PolarHBondContact O-N 3.21Å; F250-I254 VanDerWaalsContact O-N 3.11Å; F250-G255 PolarHBondContact O-N 3.37Å
251E91.1Very high79Confident117 Ų11766.1 Ų66.155%0.54737%0.369SS..Iπ-helixtrans-64.9-41.4-180-70.5178.5-165.500113Q247 F248Q247-E251 WeakPolarHBondContact CG-OE1 3.39Å; Q247-E251 PolarHBondContact NE2-OE1 3.38Å; Q247-E251 WeakPolarHBondContact O-CG 3.5Å; Q247-E251 PolarHBondContact O-N 3.03Å; F248-E251 PolarHBondContact O-N 3.49Å
252A89.3Confident76.2Confident26 Ų2673.7 Ų73.722%0.21540%0.402CS..Iπ-helixtrans-80.3-35.1-174.100000113.5R190 F248 F249R190-A252 PolarHBondContact NH2-O 2.83Å; F248-A252 HydrophobicContact CE1-CB 4.33Å; F248-A252 HydrophobicContact CE2-CB 4.33Å; F248-A252 HydrophobicContact CZ-CB 4.14Å; F248-A252 WeakPolarHBondContact O-CB 3.3Å; F248-A252 PolarHBondContact O-N 3.01Å; F249-A252 PolarHBondContact O-N 3.33Å
253Y90.9Very high73.2Confident28 Ų2875.1 Ų75.111%0.1142%0.415CS..Iπ-helixtrans-112.3-41.9-169.6-60.7-69.3000114.1R190 A193 M194 T197 F249R190-Y253 HydrophobicContact CG-CD1 4.49Å; R190-Y253 HydrophobicContact CG-CE1 4.28Å; R190-Y253 PolarHBondContact NH2-O 3.35Å; A193-Y253 PolarHBondContact O-OH 2.92Å; A193-Y253 VanDerWaalsContact O-OH 3.07Å; M194-Y253 HydrophobicContact CB-CD1 4.01Å; M194-Y253 HydrophobicContact CB-CE1 3.79Å; M194-Y253 HydrophobicContact CB-CE2 4.48Å; M194-Y253 HydrophobicContact CB-CG 4.46Å; M194-Y253 HydrophobicContact CE-CD1 3.8Å; M194-Y253 HydrophobicContact CE-CG 3.96Å; M194-Y253 HydrophobicContact CG-CD1 4.23Å; M194-Y253 HydrophobicContact CG-CD2 4.43Å; M194-Y253 HydrophobicContact CG-CE1 4.43Å; M194-Y253 HydrophobicContact CG-CG 4.24Å; M194-Y253 PolarHBondContact N-OH 3.42Å; T197-Y253 HydrophobicContact CG2-CE2 4.18Å; T197-Y253 PolarHBondContact OG1-OH 3.37Å; F249-Y253 AromaticContact CD2-CD2 3.5Å; F249-Y253 HydrophobicContact CD2-CD2 3.5Å; F249-Y253 AromaticContact CD2-CE2 3.93Å; F249-Y253 HydrophobicContact CD2-CE2 3.93Å; F249-Y253 HydrophobicContact CD2-CG 4.48Å; F249-Y253 AromaticContact CE2-CD2 3.76Å; F249-Y253 HydrophobicContact CE2-CD2 3.76Å; F249-Y253 HydrophobicContact CE2-CE2 4.29Å; F249-Y253 HydrophobicContact CE2-CG 4.39Å; F249-Y253 AromaticContact CG-CD2 4Å; F249-Y253 HydrophobicContact CG-CD2 4Å; F249-Y253 HydrophobicContact CZ-CD2 4.45Å; F249-Y253 WeakPolarHBondContact O-CB 3.19Å; F249-Y253 WeakPolarHBondContact O-CD2 3.37Å; F249-Y253 PolarHBondContact O-N 3.38Å
254I89.4Confident70.4Confident80 Ų8077.3 Ų77.341%0.4142%0.424SS..Iπ-helixtrans-94.4-49.4-172.8-63.4171000110.9F249 F250 K256 S257F249-I254 HydrophobicContact CD1-CD1 4.11Å; F249-I254 HydrophobicContact CE1-CD1 3.8Å; F249-I254 HydrophobicContact CE1-CG1 4.32Å; F250-I254 HydrophobicContact CD1-CB 4.12Å; F250-I254 HydrophobicContact CD1-CD1 3.4Å; F250-I254 HydrophobicContact CD1-CG1 4.3Å; F250-I254 HydrophobicContact CD1-CG2 4.29Å; F250-I254 HydrophobicContact CE1-CD1 3.45Å; F250-I254 VanDerWaalsContact CE1-CD1 3.45Å; F250-I254 HydrophobicContact CG-CD1 4.34Å; F250-I254 HydrophobicContact CZ-CD1 4.43Å; F250-I254 PolarHBondContact O-N 3.21Å; F250-I254 VanDerWaalsContact O-N 3.11Å; I254-K256 VanDerWaalsContact C-N 3.28Å; I254-K256 PolarHBondContact O-N 3.11Å; I254-S257 WeakPolarHBondContact O-CB 3.28Å; I254-S257 PolarHBondContact O-N 3.17Å
255G69.9Low67.8Low42 Ų4280.8 Ų80.843%0.43345%0.447SS..THydrogen-bonded Turntrans-61.8-29.8-173.700000114.4F250F250-G255 PolarHBondContact O-N 3.37Å
256K58.5Low65Low142 Ų14288.7 Ų88.762%0.61748%0.481SS*.THydrogen-bonded Turntrans-76.2-18.8175.7-75.6-174.7176.6-179.10114.5I254 N258 S259I254-K256 VanDerWaalsContact C-N 3.28Å; I254-K256 PolarHBondContact O-N 3.11Å; K256-N258 PolarHBondContact O-N 3.48Å; K256-S259 PolarHBondContact O-N 3.28Å
257S50.4Low62.3Low77 Ų7795.6 Ų95.654%0.53851%0.508SS..Hα-helixtrans-66.4-30178.5-163.90000111.9I254 S259I254-S257 WeakPolarHBondContact O-CB 3.28Å; I254-S257 PolarHBondContact O-N 3.17Å; S257-S259 VanDerWaalsContact C-N 3.35Å; S257-S259 PolarHBondContact O-N 3.3Å
258N44.9Very low59.7Low113 Ų11395.8 Ų95.860%0.60452%0.52SS*.Hα-helixtrans-80.6-10.4-178.3-73.5-11.3000114.4K256K256-N258 PolarHBondContact O-N 3.48Å
259S41.4Very low57Low79 Ų79104.9 Ų104.955%0.55256%0.559SS**Hα-helixtrans-88.7-35.1177.6-61.10000112.9K256 S257 K262 T263K256-S259 PolarHBondContact O-N 3.28Å; S257-S259 VanDerWaalsContact C-N 3.35Å; S257-S259 PolarHBondContact O-N 3.3Å; S259-K262 PolarHBondContact O-N 3.48Å; S259-T263 PolarHBondContact O-OG1 3.08Å
260S36.9Very low55.1Low87 Ų87108.7 Ų108.761%0.60858%0.581SS**Hα-helixtrans-71.3-34.5174.7-75.10000112.6K262 T263S260-K262 VanDerWaalsContact C-N 3.27Å; S260-K262 PolarHBondContact O-N 3.15Å; S260-T263 PolarHBondContact O-N 3.14Å
261A40.7Very low53.1Low61 Ų61108.6 Ų108.650%0.50459%0.586SS.*Hα-helixtrans-68.4-22.7175.700000113.8
262K37.3Very low51Low163 Ų163108.1 Ų108.171%0.70959%0.588SS**Hα-helixtrans-85-16.1177.1-78.9-172.7177.8-178.50113.9S259 S260S259-K262 PolarHBondContact O-N 3.48Å; S260-K262 VanDerWaalsContact C-N 3.27Å; S260-K262 PolarHBondContact O-N 3.15Å
263T35.2Very low48.8Very low85 Ų85112.9 Ų112.952%0.52161%0.61SS.*Hα-helixtrans-83.2-32.4178.7-42.70000112S259 S260S259-T263 PolarHBondContact O-OG1 3.08Å; S260-T263 PolarHBondContact O-N 3.14Å
264D37.6Very low46.1Very low126 Ų126118.3 Ų118.367%0.67464%0.642SS**Hα-helixtrans-76.1-30.7178.6-73.4-33.3000113.3K266D264-K266 VanDerWaalsContact C-N 3.32Å; D264-K266 PolarHBondContact O-N 3.45Å
265V42.2Very low43.2Very low106 Ų106120.8 Ų120.864%0.64266%0.657SS**Hα-helixtrans-73.6-23.1176.3178.50000112.6
266K37.2Very low41.3Very low186 Ų186126.4 Ų126.481%0.80967%0.673SS**THydrogen-bonded Turntrans-88.9-6.9179.7-106.3-175177.5-1730114.7D264D264-K266 VanDerWaalsContact C-N 3.32Å; D264-K266 PolarHBondContact O-N 3.45Å
267K37.7Very low40Very low184 Ų184125.2 Ų125.280%0.868%0.677SS**THydrogen-bonded Turntrans-991174-86.1-173.1174.1-176.20114
268S42.2Very low39.1Very low104 Ų104129.3 Ų129.373%0.72769%0.689SS**  trans-115.921.3-179.4-173.40000113.3
269K36.6Very low38.6Very low257 Ų257130.7 Ų130.7100%1.11770%0.697SS**  trans-128.60169.6-79.2-165.9175.5-172.10110.2

Retrieved 269 of 269 residues in 352.7 ms (Link to these results)