A0A077Z590_TRITR Loading...

Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha

AlphaFold DB , UniProt , Accession A0A077Z590, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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
1M36.6Very low82.5Confident244 Ų244111.5 Ų111.5100%1.20256%0.559SS**  0103.40-166.3-177.8-74.300106.3S3M1-S3 PolarHBondContact O-N 3.24Å
2I45.6Very low83.8Confident169 Ų169103.3 Ų103.387%0.86752%0.518SS*.  trans-70.5114.7175.1-62.6167.6000105.2K4I2-K4 PolarHBondContact O-N 3.29Å
3S69Low84.8Confident99 Ų99103.6 Ų103.669%0.69252%0.521SS*.PPolyproline II helixtrans-53.3136.6175.952.20000109.2M1 V5M1-S3 PolarHBondContact O-N 3.24Å; S3-V5 PolarHBondContact O-N 3.43Å
4K83.4Confident85.7Confident206 Ų206101.9 Ų101.990%0.89651%0.513SS*.PPolyproline II helixtrans-53.4131.5173.5-72.2-177.2176.4-1790108.9I2 E6I2-K4 PolarHBondContact O-N 3.29Å; K4-E6 PolarHBondContact O-N 3.09Å
5V90Very high86.5Confident91 Ų9195.4 Ų95.455%0.55248%0.481SS*.PPolyproline II helixtrans-63.8123.5173.4178.80000107.7S3 Y31 F34S3-V5 PolarHBondContact O-N 3.43Å; V5-Y31 HydrophobicContact CG1-CD2 4.31Å; V5-Y31 HydrophobicContact CG1-CE2 3.55Å; V5-F34 HydrophobicContact CG1-CD1 4.28Å; V5-F34 HydrophobicContact CG1-CE1 3.68Å; V5-F34 HydrophobicContact CG1-CZ 4.49Å
6E95.3Very high87.1Confident77 Ų7793.1 Ų93.136%0.3647%0.468SS..PPolyproline II helixtrans-70.6135.5175.3-177.3178.6167.400109.6K4 S8 R10 A11 Y31 L35K4-E6 PolarHBondContact O-N 3.09Å; E6-S8 PolarHBondContact OE1-OG 2.65Å; E6-R10 IonicContact OE1-CZ 3.44Å; E6-R10 IonicContact OE1-NE 3.09Å; E6-R10 PolarHBondContact OE1-NE 3.29Å; E6-R10 VanDerWaalsContact OE1-NE 3.09Å; E6-R10 IonicContact OE1-NH2 2.98Å; E6-R10 PolarHBondContact OE1-NH2 3.46Å; E6-R10 IonicContact OE2-CZ 3.77Å; E6-R10 IonicContact OE2-NH2 2.65Å; E6-R10 PolarHBondContact OE2-NH2 3.29Å; E6-A11 HydrophobicContact CG-CB 4.12Å; E6-Y31 PolarHBondContact O-OH 3.3Å; E6-L35 WeakPolarHBondContact O-CD2 3.37Å
7I97.2Very high87.6Confident77 Ų7793.2 Ų93.240%0.39547%0.47SS..  trans-125.197.7173.1-56.2172.8000106.3F34 L35 E38 L39I7-F34 HydrophobicContact CD1-CE1 4Å; I7-F34 HydrophobicContact CD1-CZ 3.91Å; I7-F34 HydrophobicContact CG1-CE1 3.84Å; I7-F34 HydrophobicContact CG1-CZ 4.28Å; I7-L35 HydrophobicContact CB-CD2 4.46Å; I7-L35 HydrophobicContact CG2-CD2 4.36Å; I7-E38 HydrophobicContact CD1-CB 4.21Å; I7-E38 HydrophobicContact CD1-CG 4.13Å; I7-E38 HydrophobicContact CG2-CB 3.65Å; I7-L39 HydrophobicContact CG2-CD2 3.95Å; I7-L39 HydrophobicContact CG2-CG 4.18Å
8S97.6Very high88.1Confident28 Ų2889.8 Ų89.820%0.19646%0.459CS..SBendtrans-153.6155.1-176.374.90000111E6 R10 A11 L12E6-S8 PolarHBondContact OE1-OG 2.65Å; S8-R10 PolarHBondContact O-N 2.68Å; S8-A11 WeakPolarHBondContact O-CB 3.35Å; S8-A11 PolarHBondContact O-N 2.98Å; S8-A11 VanDerWaalsContact O-N 3.11Å; S8-A11 WeakPolarHBondContact OG-CB 3.37Å; S8-A11 PolarHBondContact OG-N 2.95Å; S8-L12 PolarHBondContact O-N 3.02Å
9E97.7Very high88.5Confident91 Ų9185.1 Ų85.143%0.42544%0.435SS..Hα-helixtrans-58.1-35.2171.6-68.4-71.4-179.800111.3L12 L13 K41E9-L12 PolarHBondContact O-N 3.46Å; E9-L13 WeakPolarHBondContact O-CG 3.43Å; E9-L13 PolarHBondContact O-N 3.42Å; E9-K41 VanDerWaalsContact CD-NZ 3.28Å; E9-K41 IonicContact OE1-NZ 3.46Å; E9-K41 PolarHBondContact OE1-NZ 3.35Å; E9-K41 IonicContact OE2-NZ 3.07Å; E9-K41 PolarHBondContact OE2-NZ 2.98Å
10R97.6Very high88.8Confident142 Ų14286.5 Ų86.554%0.53644%0.435SS..Hα-helixtrans-60.8-45.7174.2-172.9-166.176.894.3-1.3111.7E6 S8 L12 L13 L14E6-R10 IonicContact OE1-CZ 3.44Å; E6-R10 IonicContact OE1-NE 3.09Å; E6-R10 PolarHBondContact OE1-NE 3.29Å; E6-R10 VanDerWaalsContact OE1-NE 3.09Å; E6-R10 IonicContact OE1-NH2 2.98Å; E6-R10 PolarHBondContact OE1-NH2 3.46Å; E6-R10 IonicContact OE2-CZ 3.77Å; E6-R10 IonicContact OE2-NH2 2.65Å; E6-R10 PolarHBondContact OE2-NH2 3.29Å; S8-R10 PolarHBondContact O-N 2.68Å; R10-L12 VanDerWaalsContact C-N 3.3Å; R10-L12 PolarHBondContact O-N 3.31Å; R10-L13 PolarHBondContact O-N 3Å; R10-L14 WeakPolarHBondContact O-CG 3.49Å; R10-L14 PolarHBondContact O-N 2.94Å
11A97.7Very high89Confident3 Ų389.7 Ų89.73%0.02545%0.453CS..Hα-helixtrans-63.1-39.5176.900000111.1E6 S8 L14 T15 L35E6-A11 HydrophobicContact CG-CB 4.12Å; S8-A11 WeakPolarHBondContact O-CB 3.35Å; S8-A11 PolarHBondContact O-N 2.98Å; S8-A11 VanDerWaalsContact O-N 3.11Å; S8-A11 WeakPolarHBondContact OG-CB 3.37Å; S8-A11 PolarHBondContact OG-N 2.95Å; A11-L14 PolarHBondContact O-N 3.11Å; A11-T15 WeakPolarHBondContact O-CG2 3.37Å; A11-T15 PolarHBondContact O-N 3.31Å; A11-L35 HydrophobicContact CB-CD1 3.9Å; A11-L35 HydrophobicContact CB-CD2 4.21Å
12L97.9Very high91.8Very high13 Ų1381.8 Ų81.87%0.06842%0.415CS..Hα-helixtrans-62.8-45.8176.718062.1000111.5S8 E9 R10 L14 T15 E16 R32 L35 L36 L39 K41S8-L12 PolarHBondContact O-N 3.02Å; E9-L12 PolarHBondContact O-N 3.46Å; R10-L12 VanDerWaalsContact C-N 3.3Å; R10-L12 PolarHBondContact O-N 3.31Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.48Å; L12-T15 PolarHBondContact O-N 3.15Å; L12-T15 VanDerWaalsContact O-N 3.12Å; L12-T15 PolarHBondContact O-OG1 3.44Å; L12-E16 PolarHBondContact O-N 3.05Å; L12-R32 HydrophobicContact CD1-CG 3.96Å; L12-R32 PolarHBondContact O-NH1 3.2Å; L12-L35 HydrophobicContact CB-CB 4.46Å; L12-L35 HydrophobicContact CB-CD1 4.31Å; L12-L35 HydrophobicContact CD1-CB 4.13Å; L12-L36 HydrophobicContact CD1-CD2 3.94Å; L12-L36 HydrophobicContact CD1-CG 4Å; L12-L36 HydrophobicContact CD2-CD2 4.12Å; L12-L39 HydrophobicContact CB-CD1 3.99Å; L12-L39 HydrophobicContact CD2-CD1 4.06Å; L12-K41 HydrophobicContact CD2-CD 4.17Å; L12-K41 HydrophobicContact CD2-CG 3.91Å
13L96.9Very high94.1Very high107 Ų10775 Ų7556%0.5638%0.382SS*.Hα-helixtrans-60.2-42.3174.3-69.7170.8000111.9E9 R10 T15 E16 D17E9-L13 WeakPolarHBondContact O-CG 3.43Å; E9-L13 PolarHBondContact O-N 3.42Å; R10-L13 PolarHBondContact O-N 3Å; L13-T15 PolarHBondContact O-N 3.03Å; L13-E16 WeakPolarHBondContact O-CA 3.34Å; L13-E16 WeakPolarHBondContact O-CB 3.43Å; L13-E16 PolarHBondContact O-N 3.12Å; L13-D17 PolarHBondContact O-N 3.46Å
14L97.6Very high95.2Very high79 Ų7973.3 Ų73.341%0.41438%0.375SS..Hα-helixtrans-63.7-29.5175.9-72.7173.1000113.2R10 A11 L12 E16 D17 A18R10-L14 WeakPolarHBondContact O-CG 3.49Å; R10-L14 PolarHBondContact O-N 2.94Å; A11-L14 PolarHBondContact O-N 3.11Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.48Å; L14-E16 PolarHBondContact O-N 3.39Å; L14-D17 PolarHBondContact O-N 2.94Å; L14-A18 WeakPolarHBondContact O-CB 3.13Å; L14-A18 PolarHBondContact O-N 3.38Å
15T97.6Very high95.8Very high5 Ų566 Ų663%0.03135%0.346CS..Hα-helixtrans-65.7-29.3172.869.90000112.1A11 L12 L13 A18 V19 V28 Y31 R32 L35A11-T15 WeakPolarHBondContact O-CG2 3.37Å; A11-T15 PolarHBondContact O-N 3.31Å; L12-T15 PolarHBondContact O-N 3.15Å; L12-T15 VanDerWaalsContact O-N 3.12Å; L12-T15 PolarHBondContact O-OG1 3.44Å; L13-T15 PolarHBondContact O-N 3.03Å; T15-A18 PolarHBondContact O-N 3.17Å; T15-V19 WeakPolarHBondContact O-CG1 3.18Å; T15-V19 WeakPolarHBondContact O-CG2 3.48Å; T15-V19 PolarHBondContact O-N 3.27Å; T15-V28 WeakPolarHBondContact O-CG1 3.39Å; T15-Y31 HydrophobicContact CG2-CD1 3.83Å; T15-Y31 HydrophobicContact CG2-CE1 4.28Å; T15-R32 HydrophobicContact CG2-CB 4.18Å; T15-R32 WeakPolarHBondContact OG1-CG 3.37Å; T15-R32 PolarHBondContact OG1-NH1 2.85Å; T15-L35 HydrophobicContact CG2-CD1 3.72Å
16E95.9Very high96.1Very high59 Ų5969.2 Ų69.228%0.27635%0.349SS..Hα-helixtrans-64.3-52.6174.9-176.1166.3169.500110.7L12 L13 L14 A18 V19 Y20 F49L12-E16 PolarHBondContact O-N 3.05Å; L13-E16 WeakPolarHBondContact O-CA 3.34Å; L13-E16 WeakPolarHBondContact O-CB 3.43Å; L13-E16 PolarHBondContact O-N 3.12Å; L14-E16 PolarHBondContact O-N 3.39Å; E16-A18 PolarHBondContact O-N 3.28Å; E16-V19 WeakPolarHBondContact O-CG2 3.22Å; E16-V19 PolarHBondContact O-N 3.23Å; E16-V19 VanDerWaalsContact O-N 3.17Å; E16-Y20 HydrophobicContact CG-CD2 3.83Å; E16-Y20 HydrophobicContact CG-CE2 3.55Å; E16-Y20 WeakPolarHBondContact O-CD2 3.39Å; E16-Y20 PolarHBondContact O-N 2.58Å; E16-F49 HydrophobicContact CG-CE2 3.62Å; E16-F49 HydrophobicContact CG-CZ 3.98Å
17D95.9Very high96.1Very high94 Ų9468.5 Ų68.550%0.50335%0.352SS..Hα-helixtrans-55.6-43175.1-63.4-31.3000111.4L13 L14 Y20 L21L13-D17 PolarHBondContact O-N 3.46Å; L14-D17 PolarHBondContact O-N 2.94Å; D17-Y20 PolarHBondContact O-N 3.45Å; D17-L21 WeakPolarHBondContact O-CG 3.18Å; D17-L21 PolarHBondContact O-N 3.47Å
18A96.5Very high96.1Very high32 Ų3265.8 Ų65.826%0.26434%0.339SS..Hα-helixtrans-66.2-38.5-179.700000113L14 T15 E16 L21 N22 V28L14-A18 WeakPolarHBondContact O-CB 3.13Å; L14-A18 PolarHBondContact O-N 3.38Å; T15-A18 PolarHBondContact O-N 3.17Å; E16-A18 PolarHBondContact O-N 3.28Å; A18-L21 PolarHBondContact O-N 2.97Å; A18-N22 PolarHBondContact O-N 2.96Å; A18-V28 HydrophobicContact CB-CB 4.49Å; A18-V28 HydrophobicContact CB-CG1 3.71Å; A18-V28 HydrophobicContact CB-CG2 3.9Å
19V95.8Very high96.1Very high0 Ų064.5 Ų64.50%033%0.33CS..Hα-helixtrans-73.6-28.7174.6-62.50000112.4T15 E16 N22 P23 V28 W29 F49 M53T15-V19 WeakPolarHBondContact O-CG1 3.18Å; T15-V19 WeakPolarHBondContact O-CG2 3.48Å; T15-V19 PolarHBondContact O-N 3.27Å; E16-V19 WeakPolarHBondContact O-CG2 3.22Å; E16-V19 PolarHBondContact O-N 3.23Å; E16-V19 VanDerWaalsContact O-N 3.17Å; V19-N22 CarbonylContact O-C 3.51Å; V19-P23 WeakPolarHBondContact O-CA 3.47Å; V19-P23 WeakPolarHBondContact O-CB 2.98Å; V19-P23 WeakPolarHBondContact O-CD 3.43Å; V19-P23 WeakPolarHBondContact O-CG 3.3Å; V19-V28 HydrophobicContact CG1-CB 4.19Å; V19-V28 HydrophobicContact CG1-CG1 3.42Å; V19-V28 VanDerWaalsContact CG1-CG1 3.42Å; V19-W29 HydrophobicContact CB-CH2 3.98Å; V19-W29 HydrophobicContact CB-CZ2 3.73Å; V19-W29 HydrophobicContact CG1-CD2 3.87Å; V19-W29 HydrophobicContact CG1-CE3 4.12Å; V19-W29 HydrophobicContact CG1-CG 4.48Å; V19-W29 HydrophobicContact CG1-CH2 3.85Å; V19-W29 HydrophobicContact CG1-CZ2 3.64Å; V19-W29 HydrophobicContact CG1-CZ3 4.09Å; V19-W29 HydrophobicContact CG2-CH2 4.03Å; V19-W29 HydrophobicContact CG2-CZ2 4.27Å; V19-F49 HydrophobicContact CG2-CE1 4.21Å; V19-F49 HydrophobicContact CG2-CZ 3.71Å; V19-M53 HydrophobicContact CG2-CE 4.17Å
20Y93.6Very high96.1Very high114 Ų11467.6 Ų67.645%0.44734%0.339SS..Hα-helixtrans-65.8-40.6170.7-84.4-68.7000111.7E16 D17 F49 M53E16-Y20 HydrophobicContact CG-CD2 3.83Å; E16-Y20 HydrophobicContact CG-CE2 3.55Å; E16-Y20 WeakPolarHBondContact O-CD2 3.39Å; E16-Y20 PolarHBondContact O-N 2.58Å; D17-Y20 PolarHBondContact O-N 3.45Å; Y20-F49 HydrophobicContact CE2-CE2 4.19Å; Y20-M53 HydrophobicContact CD1-CE 4.1Å; Y20-M53 HydrophobicContact CD1-SD 3.74Å; Y20-M53 HydrophobicContact CE1-CE 4.22Å; Y20-M53 HydrophobicContact CE1-SD 3.25Å; Y20-M53 WeakPolarHBondContact CE1-SD 3.3Å; Y20-M53 HydrophobicContact CE2-SD 4.11Å; Y20-M53 HydrophobicContact CG-SD 4.34Å
21L94.6Very high96.1Very high154 Ų15464 Ų6481%0.80633%0.326SS*.Hα-helixtrans-72-40.9178.7-70172.3000113D17 A18D17-L21 WeakPolarHBondContact O-CG 3.18Å; D17-L21 PolarHBondContact O-N 3.47Å; A18-L21 PolarHBondContact O-N 2.97Å
22N94.6Very high96.1Very high77 Ų7764.3 Ų64.341%0.41233%0.327SS..  trans-141.786.3176.2-175.3-2.5000111.2A18 V19 A24 N25A18-N22 PolarHBondContact O-N 2.96Å; V19-N22 CarbonylContact O-C 3.51Å; N22-A24 PolarHBondContact O-N 3.28Å; N22-A24 VanDerWaalsContact O-N 3.1Å; N22-A24 PolarHBondContact OD1-N 3.1Å; N22-A24 VanDerWaalsContact OD1-N 3.15Å; N22-N25 HydrophobicContact CB-CB 4.2Å; N22-N25 VanDerWaalsContact O-CB 3.3Å; N22-N25 WeakPolarHBondContact O-CB 3.12Å; N22-N25 PolarHBondContact O-N 3.04Å; N22-N25 PolarHBondContact OD1-N 2.94Å
23P93.5Very high96.1Very high27 Ų2765.9 Ų65.918%0.17533%0.332CS..THydrogen-bonded Turntrans-62.3-19.7180-19.727.4000113.6V19 N25 W29 T57 N60V19-P23 WeakPolarHBondContact O-CA 3.47Å; V19-P23 WeakPolarHBondContact O-CB 2.98Å; V19-P23 WeakPolarHBondContact O-CD 3.43Å; V19-P23 WeakPolarHBondContact O-CG 3.3Å; P23-N25 VanDerWaalsContact C-N 3.32Å; P23-W29 PolarHBondContact O-NE1 3.43Å; P23-T57 HydrophobicContact CB-CG2 4.47Å; P23-T57 HydrophobicContact CG-CG2 4.07Å; P23-N60 VanDerWaalsContact C-ND2 3.28Å; P23-N60 WeakPolarHBondContact CB-ND2 3.14Å; P23-N60 PolarHBondContact O-ND2 2.97Å; P23-N60 PolarHBondContact O-OD1 3.27Å
24A93.3Very high96.1Very high64 Ų6463.9 Ų63.953%0.52932%0.318SS..THydrogen-bonded Turntrans-84.5-5.1178.800000113.2N22 Y26N22-A24 PolarHBondContact O-N 3.28Å; N22-A24 VanDerWaalsContact O-N 3.1Å; N22-A24 PolarHBondContact OD1-N 3.1Å; N22-A24 VanDerWaalsContact OD1-N 3.15Å; A24-Y26 PolarHBondContact O-N 3.41Å
25N95.2Very high96.1Very high53 Ų5360.1 Ų60.128%0.28330%0.299SS..  trans-7397.7-177.2-170.1-30000111.9N22 P23 S27 V28 W29N22-N25 HydrophobicContact CB-CB 4.2Å; N22-N25 VanDerWaalsContact O-CB 3.3Å; N22-N25 WeakPolarHBondContact O-CB 3.12Å; N22-N25 PolarHBondContact O-N 3.04Å; N22-N25 PolarHBondContact OD1-N 2.94Å; P23-N25 VanDerWaalsContact C-N 3.32Å; N25-S27 VanDerWaalsContact C-N 3.26Å; N25-S27 PolarHBondContact O-N 2.61Å; N25-S27 WeakPolarHBondContact OD1-CB 3.43Å; N25-S27 PolarHBondContact OD1-N 3.25Å; N25-V28 HydrophobicContact CB-CB 4.32Å; N25-V28 HydrophobicContact CB-CG2 3.97Å; N25-V28 PolarHBondContact O-N 2.74Å; N25-V28 PolarHBondContact OD1-N 3.06Å; N25-W29 PolarHBondContact O-N 2.95Å
26Y95.5Very high96.2Very high157 Ų15760 Ų6062%0.61630%0.298SS*.Hα-helixtrans-62.2-29.4-178.973.9-89.7000113.6A24 W29 Y30A24-Y26 PolarHBondContact O-N 3.41Å; Y26-W29 PolarHBondContact O-N 3.4Å; Y26-Y30 WeakPolarHBondContact O-CB 3.32Å; Y26-Y30 PolarHBondContact O-N 3.26Å
27S96.5Very high96.3Very high62 Ų6264.2 Ų64.243%0.43432%0.315SS..Hα-helixtrans-67.5-38.4178.6-57.50000111.4N25 Y30 Y31N25-S27 VanDerWaalsContact C-N 3.26Å; N25-S27 PolarHBondContact O-N 2.61Å; N25-S27 WeakPolarHBondContact OD1-CB 3.43Å; N25-S27 PolarHBondContact OD1-N 3.25Å; S27-Y30 PolarHBondContact O-N 3.03Å; S27-Y31 WeakPolarHBondContact O-CB 3.24Å; S27-Y31 PolarHBondContact O-N 3.01Å
28V97.1Very high96.3Very high21 Ų2164.4 Ų64.413%0.12731%0.313CS..Hα-helixtrans-65.9-45.6175.5-179.60000110.1T15 A18 V19 N25 Y30 Y31 R32T15-V28 WeakPolarHBondContact O-CG1 3.39Å; A18-V28 HydrophobicContact CB-CB 4.49Å; A18-V28 HydrophobicContact CB-CG1 3.71Å; A18-V28 HydrophobicContact CB-CG2 3.9Å; V19-V28 HydrophobicContact CG1-CB 4.19Å; V19-V28 HydrophobicContact CG1-CG1 3.42Å; V19-V28 VanDerWaalsContact CG1-CG1 3.42Å; N25-V28 HydrophobicContact CB-CB 4.32Å; N25-V28 HydrophobicContact CB-CG2 3.97Å; N25-V28 PolarHBondContact O-N 2.74Å; N25-V28 PolarHBondContact OD1-N 3.06Å; V28-Y30 VanDerWaalsContact C-N 3.34Å; V28-Y30 PolarHBondContact O-N 3.27Å; V28-Y31 PolarHBondContact O-N 3.3Å; V28-R32 WeakPolarHBondContact O-CB 3.48Å; V28-R32 PolarHBondContact O-N 2.82Å
29W97.7Very high96.4Very high0 Ų065.2 Ų65.20%031%0.313CS..Hα-helixtrans-62.6-39.5176.9-72110.8000113.4V19 P23 N25 Y26 R33 F49 Q62 L63 H66V19-W29 HydrophobicContact CB-CH2 3.98Å; V19-W29 HydrophobicContact CB-CZ2 3.73Å; V19-W29 HydrophobicContact CG1-CD2 3.87Å; V19-W29 HydrophobicContact CG1-CE3 4.12Å; V19-W29 HydrophobicContact CG1-CG 4.48Å; V19-W29 HydrophobicContact CG1-CH2 3.85Å; V19-W29 HydrophobicContact CG1-CZ2 3.64Å; V19-W29 HydrophobicContact CG1-CZ3 4.09Å; V19-W29 HydrophobicContact CG2-CH2 4.03Å; V19-W29 HydrophobicContact CG2-CZ2 4.27Å; P23-W29 PolarHBondContact O-NE1 3.43Å; N25-W29 PolarHBondContact O-N 2.95Å; Y26-W29 PolarHBondContact O-N 3.4Å; W29-R33 WeakPolarHBondContact O-CG 3.38Å; W29-R33 PolarHBondContact O-N 3.31Å; W29-R33 PolarHBondContact O-NH1 3.42Å; W29-F49 HydrophobicContact CH2-CE1 4.02Å; W29-F49 HydrophobicContact CZ3-CE1 4.1Å; W29-Q62 HydrophobicContact CG-CB 4.02Å; W29-L63 HydrophobicContact CH2-CD1 3.55Å; W29-L63 HydrophobicContact CZ2-CB 4.15Å; W29-L63 HydrophobicContact CZ2-CD1 4.02Å; W29-L63 HydrophobicContact CZ3-CD1 4.14Å; W29-H66 HydrophobicContact CD2-CB 4.49Å; W29-H66 HydrophobicContact CE3-CB 3.97Å; W29-H66 AromaticContact CE3-CD2 3.39Å; W29-H66 AromaticContact CE3-CG 3.71Å; W29-H66 HydrophobicContact CZ3-CB 4.41Å; W29-H66 AromaticContact CZ3-CD2 3.29Å; W29-H66 WeakPolarHBondContact CZ3-CD2 3.32Å; W29-H66 AromaticContact CZ3-NE2 3.96Å
30Y96.7Very high96.5Very high157 Ų15768.4 Ų68.462%0.61635%0.346SS*.Hα-helixtrans-62.3-48.6174.2176.9-92.7000111.1Y26 S27 V28 R32 R33 F34Y26-Y30 WeakPolarHBondContact O-CB 3.32Å; Y26-Y30 PolarHBondContact O-N 3.26Å; S27-Y30 PolarHBondContact O-N 3.03Å; V28-Y30 VanDerWaalsContact C-N 3.34Å; V28-Y30 PolarHBondContact O-N 3.27Å; Y30-R32 PolarHBondContact O-N 3.05Å; Y30-R33 PolarHBondContact O-N 2.87Å; Y30-F34 PolarHBondContact O-N 2.92Å
31Y97.5Very high96.7Very high67 Ų6766.5 Ų66.526%0.26334%0.34SS..Hα-helixtrans-65.6-39.7-179.8-177-140.9000112V5 E6 T15 S27 V28 R33 F34 L35V5-Y31 HydrophobicContact CG1-CD2 4.31Å; V5-Y31 HydrophobicContact CG1-CE2 3.55Å; E6-Y31 PolarHBondContact O-OH 3.3Å; T15-Y31 HydrophobicContact CG2-CD1 3.83Å; T15-Y31 HydrophobicContact CG2-CE1 4.28Å; S27-Y31 WeakPolarHBondContact O-CB 3.24Å; S27-Y31 PolarHBondContact O-N 3.01Å; V28-Y31 PolarHBondContact O-N 3.3Å; Y31-R33 PolarHBondContact O-N 3.4Å; Y31-F34 AromaticContact CD2-CD1 3.97Å; Y31-F34 HydrophobicContact CD2-CD1 3.97Å; Y31-F34 HydrophobicContact CE2-CD1 4.06Å; Y31-F34 WeakPolarHBondContact O-CB 3.49Å; Y31-F34 PolarHBondContact O-N 2.79Å; Y31-L35 HydrophobicContact CD1-CD1 4.1Å; Y31-L35 HydrophobicContact CD2-CD1 4.18Å; Y31-L35 HydrophobicContact CD2-CG 3.96Å; Y31-L35 HydrophobicContact CE1-CD1 3.81Å; Y31-L35 HydrophobicContact CE1-CG 4.5Å; Y31-L35 HydrophobicContact CE2-CD1 3.87Å; Y31-L35 HydrophobicContact CE2-CD2 3.72Å; Y31-L35 HydrophobicContact CE2-CG 3.64Å; Y31-L35 HydrophobicContact CG-CD1 4.28Å; Y31-L35 HydrophobicContact CG-CG 4.49Å; Y31-L35 WeakPolarHBondContact O-CG 3.41Å; Y31-L35 PolarHBondContact O-N 3.48Å
32R98.2Very high96.8Very high9 Ų963.2 Ų63.23%0.03432%0.323CS..Hα-helixtrans-58-48.2173.1-174.9171.2-178.691.5-1.2111.5L12 T15 V28 Y30 F34 L35 L36 E46L12-R32 HydrophobicContact CD1-CG 3.96Å; L12-R32 PolarHBondContact O-NH1 3.2Å; T15-R32 HydrophobicContact CG2-CB 4.18Å; T15-R32 WeakPolarHBondContact OG1-CG 3.37Å; T15-R32 PolarHBondContact OG1-NH1 2.85Å; V28-R32 WeakPolarHBondContact O-CB 3.48Å; V28-R32 PolarHBondContact O-N 2.82Å; Y30-R32 PolarHBondContact O-N 3.05Å; R32-F34 VanDerWaalsContact C-N 3.32Å; R32-F34 PolarHBondContact O-N 3.41Å; R32-L35 PolarHBondContact O-N 2.87Å; R32-L36 HydrophobicContact CG-CD1 4.08Å; R32-L36 HydrophobicContact CG-CG 4.4Å; R32-L36 WeakPolarHBondContact O-CB 3.33Å; R32-L36 VanDerWaalsContact O-CG 3.24Å; R32-L36 WeakPolarHBondContact O-CG 3.25Å; R32-L36 PolarHBondContact O-N 3.24Å; R32-E46 IonicContact CZ-OE1 3.03Å; R32-E46 IonicContact CZ-OE2 2.62Å; R32-E46 IonicContact NE-OE1 2.76Å; R32-E46 PolarHBondContact NE-OE1 3.5Å; R32-E46 IonicContact NE-OE2 3.03Å; R32-E46 PolarHBondContact NE-OE2 2.91Å; R32-E46 IonicContact NH2-OE1 3.5Å; R32-E46 PolarHBondContact NH2-OE1 3.3Å; R32-E46 IonicContact NH2-OE2 3.28Å; R32-E46 PolarHBondContact NH2-OE2 3.18Å
33R97.8Very high97Very high46 Ų4661.1 Ų61.117%0.17431%0.31CS..Hα-helixtrans-58.9-42.4174.6-78.5-167.7-60.6-83.77.9112.8W29 Y30 Y31 K37 H66W29-R33 WeakPolarHBondContact O-CG 3.38Å; W29-R33 PolarHBondContact O-N 3.31Å; W29-R33 PolarHBondContact O-NH1 3.42Å; Y30-R33 PolarHBondContact O-N 2.87Å; Y31-R33 PolarHBondContact O-N 3.4Å; R33-K37 PolarHBondContact O-N 2.71Å; R33-H66 WeakPolarHBondContact CD-ND1 3.43Å; R33-H66 WeakPolarHBondContact CG-CE1 3.38Å; R33-H66 WeakPolarHBondContact CG-ND1 3.39Å
34F97.5Very high97.2Very high64 Ų6463 Ų6328%0.28131%0.314SS..Hα-helixtrans-60.1-50.3175.3172.1-101000111V5 I7 Y30 Y31 R32 L36 K37 E38V5-F34 HydrophobicContact CG1-CD1 4.28Å; V5-F34 HydrophobicContact CG1-CE1 3.68Å; V5-F34 HydrophobicContact CG1-CZ 4.49Å; I7-F34 HydrophobicContact CD1-CE1 4Å; I7-F34 HydrophobicContact CD1-CZ 3.91Å; I7-F34 HydrophobicContact CG1-CE1 3.84Å; I7-F34 HydrophobicContact CG1-CZ 4.28Å; Y30-F34 PolarHBondContact O-N 2.92Å; Y31-F34 AromaticContact CD2-CD1 3.97Å; Y31-F34 HydrophobicContact CD2-CD1 3.97Å; Y31-F34 HydrophobicContact CE2-CD1 4.06Å; Y31-F34 WeakPolarHBondContact O-CB 3.49Å; Y31-F34 PolarHBondContact O-N 2.79Å; R32-F34 VanDerWaalsContact C-N 3.32Å; R32-F34 PolarHBondContact O-N 3.41Å; F34-L36 PolarHBondContact O-N 2.76Å; F34-K37 PolarHBondContact O-N 3.34Å; F34-E38 HydrophobicContact CD1-CG 4.38Å; F34-E38 HydrophobicContact CD2-CG 4Å; F34-E38 HydrophobicContact CE1-CG 4.02Å; F34-E38 HydrophobicContact CE2-CG 3.58Å; F34-E38 HydrophobicContact CG-CG 4.38Å; F34-E38 HydrophobicContact CZ-CG 3.61Å; F34-E38 WeakPolarHBondContact O-CG 3.22Å; F34-E38 PolarHBondContact O-N 2.98Å
35L98.3Very high97.4Very high0 Ų064.2 Ų64.20%031%0.311CS..Hα-helixtrans-60.5-45.2178.1-70.4172.5000112.8E6 I7 A11 L12 T15 Y31 R32 K37 E38 L39E6-L35 WeakPolarHBondContact O-CD2 3.37Å; I7-L35 HydrophobicContact CB-CD2 4.46Å; I7-L35 HydrophobicContact CG2-CD2 4.36Å; A11-L35 HydrophobicContact CB-CD1 3.9Å; A11-L35 HydrophobicContact CB-CD2 4.21Å; L12-L35 HydrophobicContact CB-CB 4.46Å; L12-L35 HydrophobicContact CB-CD1 4.31Å; L12-L35 HydrophobicContact CD1-CB 4.13Å; T15-L35 HydrophobicContact CG2-CD1 3.72Å; Y31-L35 HydrophobicContact CD1-CD1 4.1Å; Y31-L35 HydrophobicContact CD2-CD1 4.18Å; Y31-L35 HydrophobicContact CD2-CG 3.96Å; Y31-L35 HydrophobicContact CE1-CD1 3.81Å; Y31-L35 HydrophobicContact CE1-CG 4.5Å; Y31-L35 HydrophobicContact CE2-CD1 3.87Å; Y31-L35 HydrophobicContact CE2-CD2 3.72Å; Y31-L35 HydrophobicContact CE2-CG 3.64Å; Y31-L35 HydrophobicContact CG-CD1 4.28Å; Y31-L35 HydrophobicContact CG-CG 4.49Å; Y31-L35 WeakPolarHBondContact O-CG 3.41Å; Y31-L35 PolarHBondContact O-N 3.48Å; R32-L35 PolarHBondContact O-N 2.87Å; L35-K37 PolarHBondContact O-N 3.23Å; L35-E38 PolarHBondContact O-N 2.95Å; L35-L39 HydrophobicContact CB-CD1 4.36Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 VanDerWaalsContact O-CG 3.25Å; L35-L39 WeakPolarHBondContact O-CG 3.48Å; L35-L39 PolarHBondContact O-N 2.86Å
36L98.4Very high97.5Very high4 Ų462.1 Ų62.12%0.02130%0.3CS..Hα-helixtrans-55.7-42.3177.3-72.3165.3000111.5L12 R32 F34 G40 K41 F43 E46 L70L12-L36 HydrophobicContact CD1-CD2 3.94Å; L12-L36 HydrophobicContact CD1-CG 4Å; L12-L36 HydrophobicContact CD2-CD2 4.12Å; R32-L36 HydrophobicContact CG-CD1 4.08Å; R32-L36 HydrophobicContact CG-CG 4.4Å; R32-L36 WeakPolarHBondContact O-CB 3.33Å; R32-L36 VanDerWaalsContact O-CG 3.24Å; R32-L36 WeakPolarHBondContact O-CG 3.25Å; R32-L36 PolarHBondContact O-N 3.24Å; F34-L36 PolarHBondContact O-N 2.76Å; L36-G40 PolarHBondContact O-N 3.46Å; L36-K41 HydrophobicContact CB-CB 4.47Å; L36-K41 HydrophobicContact CD2-CB 3.76Å; L36-K41 HydrophobicContact CD2-CG 3.95Å; L36-K41 PolarHBondContact O-N 3.35Å; L36-F43 HydrophobicContact CB-CD1 4.46Å; L36-F43 HydrophobicContact CB-CE1 3.85Å; L36-E46 HydrophobicContact CD1-CB 4.2Å; L36-E46 HydrophobicContact CD1-CG 3.56Å; L36-E46 HydrophobicContact CD2-CB 4.31Å; L36-E46 HydrophobicContact CD2-CG 4.38Å; L36-L70 HydrophobicContact CD1-CD2 4.48Å
37K97.6Very high97.7Very high146 Ų14655 Ų5564%0.63527%0.272SS*.Hα-helixtrans-68.4-51.7177.5-178.9-179174.5-1760111.9R33 F34 L35 L39 G40R33-K37 PolarHBondContact O-N 2.71Å; F34-K37 PolarHBondContact O-N 3.34Å; L35-K37 PolarHBondContact O-N 3.23Å; K37-L39 VanDerWaalsContact C-N 3.3Å; K37-L39 PolarHBondContact O-N 2.73Å; K37-G40 PolarHBondContact O-N 3.32Å; K37-G40 VanDerWaalsContact O-N 3.09Å
38E97.6Very high97.7Very high98 Ų9858.2 Ų58.246%0.45828%0.279SS..Hα-helixtrans-68.3-29.5-175.4-64.1-57.9124.800112.8I7 F34 L35 G40I7-E38 HydrophobicContact CD1-CB 4.21Å; I7-E38 HydrophobicContact CD1-CG 4.13Å; I7-E38 HydrophobicContact CG2-CB 3.65Å; F34-E38 HydrophobicContact CD1-CG 4.38Å; F34-E38 HydrophobicContact CD2-CG 4Å; F34-E38 HydrophobicContact CE1-CG 4.02Å; F34-E38 HydrophobicContact CE2-CG 3.58Å; F34-E38 HydrophobicContact CG-CG 4.38Å; F34-E38 HydrophobicContact CZ-CG 3.61Å; F34-E38 WeakPolarHBondContact O-CG 3.22Å; F34-E38 PolarHBondContact O-N 2.98Å; L35-E38 PolarHBondContact O-N 2.95Å; E38-G40 VanDerWaalsContact C-N 3.31Å
39L98Very high97.7Very high49 Ų4958 Ų5826%0.25728%0.276SS..THydrogen-bonded Turntrans-85.4-1.5174.6-63.3170.1000113.1I7 L12 L35 K37 K41I7-L39 HydrophobicContact CG2-CD2 3.95Å; I7-L39 HydrophobicContact CG2-CG 4.18Å; L12-L39 HydrophobicContact CB-CD1 3.99Å; L12-L39 HydrophobicContact CD2-CD1 4.06Å; L35-L39 HydrophobicContact CB-CD1 4.36Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 VanDerWaalsContact O-CG 3.25Å; L35-L39 WeakPolarHBondContact O-CG 3.48Å; L35-L39 PolarHBondContact O-N 2.86Å; K37-L39 VanDerWaalsContact C-N 3.3Å; K37-L39 PolarHBondContact O-N 2.73Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 HydrophobicContact CB-CD 3.82Å; L39-K41 HydrophobicContact CB-CG 3.86Å; L39-K41 PolarHBondContact O-N 3.39Å
40G97.6Very high97.7Very high67 Ų6758 Ų5869%0.69128%0.276SS*.THydrogen-bonded Turntrans61.534.9-179.900000113.8L36 K37 E38L36-G40 PolarHBondContact O-N 3.46Å; K37-G40 PolarHBondContact O-N 3.32Å; K37-G40 VanDerWaalsContact O-N 3.09Å; E38-G40 VanDerWaalsContact C-N 3.31Å
41K98Very high97.8Very high74 Ų7451.8 Ų51.832%0.32226%0.256SS..  trans-72.2147.1-178.7-52.1-58.8-68.1-165.10110.7E9 L12 L36 L39 F43E9-K41 VanDerWaalsContact CD-NZ 3.28Å; E9-K41 IonicContact OE1-NZ 3.46Å; E9-K41 PolarHBondContact OE1-NZ 3.35Å; E9-K41 IonicContact OE2-NZ 3.07Å; E9-K41 PolarHBondContact OE2-NZ 2.98Å; L12-K41 HydrophobicContact CD2-CD 4.17Å; L12-K41 HydrophobicContact CD2-CG 3.91Å; L36-K41 HydrophobicContact CB-CB 4.47Å; L36-K41 HydrophobicContact CD2-CB 3.76Å; L36-K41 HydrophobicContact CD2-CG 3.95Å; L36-K41 PolarHBondContact O-N 3.35Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 HydrophobicContact CB-CD 3.82Å; L39-K41 HydrophobicContact CB-CG 3.86Å; L39-K41 PolarHBondContact O-N 3.39Å; K41-F43 WeakPolarHBondContact O-CD1 3.19Å; K41-F43 PolarHBondContact O-N 3.29Å
42D97Very high97.7Very high86 Ų8653.3 Ų53.346%0.4627%0.268SS..  trans-70.8119.7172.7-172.2-6.2000110.2R44 D45 E46D42-R44 PolarHBondContact O-N 2.88Å; D42-R44 VanDerWaalsContact OD1-CB 3.32Å; D42-R44 WeakPolarHBondContact OD1-CB 3.37Å; D42-R44 WeakPolarHBondContact OD1-CG 3.15Å; D42-R44 PolarHBondContact OD1-N 3.18Å; D42-D45 PolarHBondContact O-N 2.99Å; D42-D45 VanDerWaalsContact O-N 3.16Å; D42-E46 PolarHBondContact O-N 3.47Å
43F98.1Very high97.6Very high32 Ų3253 Ų5314%0.1427%0.267CS..Hα-helixtrans-67.7-20.3178.2-69.51.6000112.1L36 K41 D45 E46 L47 L70 T73 L74L36-F43 HydrophobicContact CB-CD1 4.46Å; L36-F43 HydrophobicContact CB-CE1 3.85Å; K41-F43 WeakPolarHBondContact O-CD1 3.19Å; K41-F43 PolarHBondContact O-N 3.29Å; F43-D45 VanDerWaalsContact C-N 3.32Å; F43-E46 PolarHBondContact O-N 3.37Å; F43-L47 VanDerWaalsContact O-CG 3.32Å; F43-L47 WeakPolarHBondContact O-CG 3.25Å; F43-L47 PolarHBondContact O-N 3.49Å; F43-L70 HydrophobicContact CB-CD2 4.05Å; F43-L70 HydrophobicContact CD1-CD2 4.03Å; F43-L70 HydrophobicContact CD2-CD2 3.7Å; F43-L70 HydrophobicContact CE1-CD2 4.42Å; F43-L70 HydrophobicContact CE2-CD2 4.07Å; F43-L70 HydrophobicContact CG-CD2 3.67Å; F43-L70 HydrophobicContact CZ-CD2 4.43Å; F43-T73 HydrophobicContact CD2-CG2 4.06Å; F43-T73 HydrophobicContact CE2-CG2 3.52Å; F43-L74 HydrophobicContact CB-CD1 3.82Å; F43-L74 HydrophobicContact CB-CD2 4.01Å; F43-L74 HydrophobicContact CB-CG 3.87Å; F43-L74 HydrophobicContact CD2-CG 4.44Å
44R97.6Very high97.5Very high67 Ų6750.9 Ų50.925%0.25326%0.259SS..Hα-helixtrans-65.2-35.2172-64.9-61.6-163.51555112.4D42 L47 K48 L74 D76 T78D42-R44 PolarHBondContact O-N 2.88Å; D42-R44 VanDerWaalsContact OD1-CB 3.32Å; D42-R44 WeakPolarHBondContact OD1-CB 3.37Å; D42-R44 WeakPolarHBondContact OD1-CG 3.15Å; D42-R44 PolarHBondContact OD1-N 3.18Å; R44-L47 PolarHBondContact O-N 3.29Å; R44-K48 PolarHBondContact O-N 3.5Å; R44-L74 HydrophobicContact CG-CD1 4.33Å; R44-L74 HydrophobicContact CG-CD2 4.48Å; R44-D76 IonicContact CZ-OD2 3.23Å; R44-D76 IonicContact NH2-OD1 2.95Å; R44-D76 PolarHBondContact NH2-OD1 3.27Å; R44-D76 IonicContact NH2-OD2 2.71Å; R44-D76 PolarHBondContact NH2-OD2 3.46Å; R44-T78 PolarHBondContact NH1-O 3.37Å
45D97.4Very high97.3Very high89 Ų8955 Ų5548%0.47628%0.277SS..Hα-helixtrans-70.5-39.1172.9-73.9-26000111D42 F43 L47 K48 F49D42-D45 PolarHBondContact O-N 2.99Å; D42-D45 VanDerWaalsContact O-N 3.16Å; F43-D45 VanDerWaalsContact C-N 3.32Å; D45-L47 VanDerWaalsContact C-N 3.3Å; D45-L47 PolarHBondContact O-N 2.92Å; D45-K48 WeakPolarHBondContact O-CB 3.29Å; D45-K48 PolarHBondContact O-N 3.3Å; D45-K48 IonicContact OD1-NZ 2.73Å; D45-K48 PolarHBondContact OD1-NZ 3.18Å; D45-F49 PolarHBondContact O-N 3.32Å
46E98Very high97.1Very high9 Ų962.1 Ų62.14%0.04231%0.31CS..Hα-helixtrans-64.5-33.5173.8-174.764.5-16900112.6R32 L36 D42 F43 K48 F49 C50 H66 L70R32-E46 IonicContact CZ-OE1 3.03Å; R32-E46 IonicContact CZ-OE2 2.62Å; R32-E46 IonicContact NE-OE1 2.76Å; R32-E46 PolarHBondContact NE-OE1 3.5Å; R32-E46 IonicContact NE-OE2 3.03Å; R32-E46 PolarHBondContact NE-OE2 2.91Å; R32-E46 IonicContact NH2-OE1 3.5Å; R32-E46 PolarHBondContact NH2-OE1 3.3Å; R32-E46 IonicContact NH2-OE2 3.28Å; R32-E46 PolarHBondContact NH2-OE2 3.18Å; L36-E46 HydrophobicContact CD1-CB 4.2Å; L36-E46 HydrophobicContact CD1-CG 3.56Å; L36-E46 HydrophobicContact CD2-CB 4.31Å; L36-E46 HydrophobicContact CD2-CG 4.38Å; D42-E46 PolarHBondContact O-N 3.47Å; F43-E46 PolarHBondContact O-N 3.37Å; E46-K48 VanDerWaalsContact C-N 3.25Å; E46-K48 PolarHBondContact O-N 3.09Å; E46-F49 WeakPolarHBondContact O-CB 3.22Å; E46-F49 PolarHBondContact O-N 3.16Å; E46-F49 WeakPolarHBondContact OE1-CD1 3.26Å; E46-C50 PolarHBondContact O-N 3.1Å; E46-C50 PolarHBondContact O-SG 2.81Å; E46-H66 IonicContact OE1-CD2 3.35Å; E46-H66 IonicContact OE1-NE2 3.46Å; E46-H66 PolarHBondContact OE1-NE2 3.07Å; E46-L70 HydrophobicContact CB-CD1 3.95Å; E46-L70 HydrophobicContact CG-CD1 3.39Å; E46-L70 HydrophobicContact CG-CD2 4.24Å; E46-L70 HydrophobicContact CG-CG 4.45Å
47L98.4Very high96.8Very high7 Ų763.8 Ų63.84%0.03732%0.32CS..Hα-helixtrans-62.7-32.7172.6-71.8176.2000112F43 R44 D45 C50 S51 R67 L70 V71 L74F43-L47 VanDerWaalsContact O-CG 3.32Å; F43-L47 WeakPolarHBondContact O-CG 3.25Å; F43-L47 PolarHBondContact O-N 3.49Å; R44-L47 PolarHBondContact O-N 3.29Å; D45-L47 VanDerWaalsContact C-N 3.3Å; D45-L47 PolarHBondContact O-N 2.92Å; L47-C50 PolarHBondContact O-N 3.42Å; L47-S51 PolarHBondContact O-N 3.05Å; L47-S51 PolarHBondContact O-OG 2.87Å; L47-R67 HydrophobicContact CD2-CG 3.56Å; L47-R67 PolarHBondContact O-NH1 3.33Å; L47-L70 HydrophobicContact CD2-CB 3.89Å; L47-L70 HydrophobicContact CD2-CD1 4.02Å; L47-L70 HydrophobicContact CG-CB 4.43Å; L47-L70 HydrophobicContact CG-CD1 4.48Å; L47-V71 HydrophobicContact CD1-CG2 4.11Å; L47-V71 HydrophobicContact CD2-CG2 3.83Å; L47-L74 HydrophobicContact CD1-CD1 3.71Å; L47-L74 HydrophobicContact CG-CD1 4.49Å
48K97.8Very high96.6Very high130 Ų13059 Ų5957%0.56530%0.304SS*.Hα-helixtrans-66.8-43.7173.4-60.7168.2-170.4159.50110.6R44 D45 E46 C50 S51 L52R44-K48 PolarHBondContact O-N 3.5Å; D45-K48 WeakPolarHBondContact O-CB 3.29Å; D45-K48 PolarHBondContact O-N 3.3Å; D45-K48 IonicContact OD1-NZ 2.73Å; D45-K48 PolarHBondContact OD1-NZ 3.18Å; E46-K48 VanDerWaalsContact C-N 3.25Å; E46-K48 PolarHBondContact O-N 3.09Å; K48-C50 VanDerWaalsContact C-N 3.34Å; K48-C50 PolarHBondContact O-N 2.99Å; K48-S51 WeakPolarHBondContact O-CB 3.46Å; K48-S51 PolarHBondContact O-N 2.84Å; K48-L52 PolarHBondContact O-N 2.99Å; K48-L52 VanDerWaalsContact O-N 3.1Å
49F96.8Very high96.4Very high16 Ų1661.7 Ų61.77%0.0731%0.314CS..Hα-helixtrans-57.7-47.2172.6172.8-101.8000111.4E16 V19 Y20 W29 D45 E46 S51 L52 M53E16-F49 HydrophobicContact CG-CE2 3.62Å; E16-F49 HydrophobicContact CG-CZ 3.98Å; V19-F49 HydrophobicContact CG2-CE1 4.21Å; V19-F49 HydrophobicContact CG2-CZ 3.71Å; Y20-F49 HydrophobicContact CE2-CE2 4.19Å; W29-F49 HydrophobicContact CH2-CE1 4.02Å; W29-F49 HydrophobicContact CZ3-CE1 4.1Å; D45-F49 PolarHBondContact O-N 3.32Å; E46-F49 WeakPolarHBondContact O-CB 3.22Å; E46-F49 PolarHBondContact O-N 3.16Å; E46-F49 WeakPolarHBondContact OE1-CD1 3.26Å; F49-S51 VanDerWaalsContact C-N 3.29Å; F49-S51 PolarHBondContact O-N 3.47Å; F49-L52 PolarHBondContact O-N 3.33Å; F49-L52 VanDerWaalsContact O-N 3.16Å; F49-M53 HydrophobicContact CD1-CG 4.29Å; F49-M53 HydrophobicContact CD2-CG 4.3Å; F49-M53 HydrophobicContact CE1-CG 3.78Å; F49-M53 HydrophobicContact CE2-CG 3.75Å; F49-M53 HydrophobicContact CE2-SD 4.18Å; F49-M53 HydrophobicContact CZ-CG 3.48Å; F49-M53 VanDerWaalsContact CZ-CG 3.48Å; F49-M53 HydrophobicContact CZ-SD 4Å; F49-M53 PolarHBondContact O-N 3.42Å
50C97.7Very high96.2Very high0 Ų060.1 Ų60.10%031%0.306CS..Hα-helixtrans-57.2-43.3175.4-690000111.8E46 L47 K48 L52 M53 I54 L63 H66 R67E46-C50 PolarHBondContact O-N 3.1Å; E46-C50 PolarHBondContact O-SG 2.81Å; L47-C50 PolarHBondContact O-N 3.42Å; K48-C50 VanDerWaalsContact C-N 3.34Å; K48-C50 PolarHBondContact O-N 2.99Å; C50-L52 VanDerWaalsContact C-N 3.32Å; C50-L52 PolarHBondContact O-N 3.19Å; C50-M53 PolarHBondContact O-N 2.84Å; C50-I54 WeakPolarHBondContact O-CB 3.45Å; C50-I54 VanDerWaalsContact O-CG1 3.25Å; C50-I54 WeakPolarHBondContact O-CG1 3.34Å; C50-I54 PolarHBondContact O-N 3.19Å; C50-L63 HydrophobicContact CB-CD1 4.15Å; C50-H66 VanDerWaalsContact SG-CD2 3.54Å; C50-R67 HydrophobicContact CB-CB 4.34Å; C50-R67 HydrophobicContact CB-CG 4.35Å
51S97.6Very high96.1Very high27 Ų2763.7 Ų63.719%0.18930%0.3CS..Hα-helixtrans-62.1-37.6178.8-62.30000112.7L47 K48 F49 K55 R67L47-S51 PolarHBondContact O-N 3.05Å; L47-S51 PolarHBondContact O-OG 2.87Å; K48-S51 WeakPolarHBondContact O-CB 3.46Å; K48-S51 PolarHBondContact O-N 2.84Å; F49-S51 VanDerWaalsContact C-N 3.29Å; F49-S51 PolarHBondContact O-N 3.47Å; S51-K55 WeakPolarHBondContact O-CG 3.31Å; S51-K55 PolarHBondContact O-N 3.19Å; S51-R67 PolarHBondContact OG-NH1 3.31Å
52L95.9Very high96.1Very high100 Ų10062.8 Ų62.852%0.52430%0.297SS..Hα-helixtrans-66.9-49.2174.4-66.3172.3000110.7K48 F49 C50 I54 K55 E56K48-L52 PolarHBondContact O-N 2.99Å; K48-L52 VanDerWaalsContact O-N 3.1Å; F49-L52 PolarHBondContact O-N 3.33Å; F49-L52 VanDerWaalsContact O-N 3.16Å; C50-L52 VanDerWaalsContact C-N 3.32Å; C50-L52 PolarHBondContact O-N 3.19Å; L52-I54 VanDerWaalsContact C-N 3.3Å; L52-I54 PolarHBondContact O-N 2.95Å; L52-K55 WeakPolarHBondContact O-CB 3.28Å; L52-K55 PolarHBondContact O-N 3.49Å; L52-E56 PolarHBondContact O-N 3.37Å
53M95.6Very high96.1Very high3 Ų358.7 Ų58.72%0.01528%0.275CS..Hα-helixtrans-63.1-33.5-179.8-71.6-64.1-67.100113.2V19 Y20 F49 C50 K55 E56 T57 L63V19-M53 HydrophobicContact CG2-CE 4.17Å; Y20-M53 HydrophobicContact CD1-CE 4.1Å; Y20-M53 HydrophobicContact CD1-SD 3.74Å; Y20-M53 HydrophobicContact CE1-CE 4.22Å; Y20-M53 HydrophobicContact CE1-SD 3.25Å; Y20-M53 WeakPolarHBondContact CE1-SD 3.3Å; Y20-M53 HydrophobicContact CE2-SD 4.11Å; Y20-M53 HydrophobicContact CG-SD 4.34Å; F49-M53 HydrophobicContact CD1-CG 4.29Å; F49-M53 HydrophobicContact CD2-CG 4.3Å; F49-M53 HydrophobicContact CE1-CG 3.78Å; F49-M53 HydrophobicContact CE2-CG 3.75Å; F49-M53 HydrophobicContact CE2-SD 4.18Å; F49-M53 HydrophobicContact CZ-CG 3.48Å; F49-M53 VanDerWaalsContact CZ-CG 3.48Å; F49-M53 HydrophobicContact CZ-SD 4Å; F49-M53 PolarHBondContact O-N 3.42Å; C50-M53 PolarHBondContact O-N 2.84Å; M53-K55 VanDerWaalsContact C-N 3.32Å; M53-E56 PolarHBondContact O-N 3.3Å; M53-T57 PolarHBondContact O-N 3.37Å; M53-T57 PolarHBondContact O-OG1 2.82Å; M53-L63 VanDerWaalsContact C-CD2 3.45Å; M53-L63 HydrophobicContact CB-CD1 3.98Å; M53-L63 HydrophobicContact CB-CD2 3.45Å; M53-L63 VanDerWaalsContact CB-CD2 3.45Å; M53-L63 HydrophobicContact CB-CG 4.37Å
54I97.1Very high96.1Very high1 Ų157.9 Ų57.91%0.00527%0.271CS..Hα-helixtrans-70-31.5179.4-73.7170.3000110.7C50 L52 E56 T57 P58 L63 W64 F83 V87C50-I54 WeakPolarHBondContact O-CB 3.45Å; C50-I54 VanDerWaalsContact O-CG1 3.25Å; C50-I54 WeakPolarHBondContact O-CG1 3.34Å; C50-I54 PolarHBondContact O-N 3.19Å; L52-I54 VanDerWaalsContact C-N 3.3Å; L52-I54 PolarHBondContact O-N 2.95Å; I54-E56 VanDerWaalsContact C-N 3.31Å; I54-E56 PolarHBondContact O-N 3.27Å; I54-T57 CarbonylContact O-C 3.53Å; I54-P58 WeakPolarHBondContact O-CA 3.27Å; I54-P58 VanDerWaalsContact O-CB 3.31Å; I54-P58 WeakPolarHBondContact O-CB 3.25Å; I54-P58 WeakPolarHBondContact O-CD 3.43Å; I54-L63 HydrophobicContact CB-CD2 4.25Å; I54-L63 HydrophobicContact CD1-CG 4.18Å; I54-L63 HydrophobicContact CG1-CD1 4.37Å; I54-L63 HydrophobicContact CG1-CD2 3.42Å; I54-L63 VanDerWaalsContact CG1-CD2 3.42Å; I54-L63 HydrophobicContact CG1-CG 3.55Å; I54-W64 HydrophobicContact CD1-CD2 4.14Å; I54-W64 HydrophobicContact CD1-CE3 4.2Å; I54-W64 HydrophobicContact CD1-CH2 4.44Å; I54-W64 HydrophobicContact CD1-CZ2 4.39Å; I54-W64 HydrophobicContact CD1-CZ3 4.35Å; I54-W64 HydrophobicContact CG2-CH2 4.18Å; I54-W64 HydrophobicContact CG2-CZ2 3.64Å; I54-F83 HydrophobicContact CB-CZ 4.15Å; I54-F83 HydrophobicContact CD1-CE1 4.07Å; I54-F83 HydrophobicContact CD1-CZ 3.53Å; I54-F83 HydrophobicContact CG1-CZ 4.4Å; I54-F83 HydrophobicContact CG2-CZ 3.95Å; I54-V87 HydrophobicContact CG2-CG2 4.12Å
55K93.7Very high96.1Very high150 Ų15058.7 Ų58.765%0.65228%0.277SS*.Hα-helixtrans-62.7-41173.8-70.6176.1178-174.30111.5S51 L52 M53S51-K55 WeakPolarHBondContact O-CG 3.31Å; S51-K55 PolarHBondContact O-N 3.19Å; L52-K55 WeakPolarHBondContact O-CB 3.28Å; L52-K55 PolarHBondContact O-N 3.49Å; M53-K55 VanDerWaalsContact C-N 3.32Å
56E92.7Very high96.1Very high150 Ų15054.4 Ų54.470%0.70126%0.255SS*.Hα-helixtrans-78-36.8179.2-58.6-54.5136.900112.7L52 M53 I54 P58L52-E56 PolarHBondContact O-N 3.37Å; M53-E56 PolarHBondContact O-N 3.3Å; I54-E56 VanDerWaalsContact C-N 3.31Å; I54-E56 PolarHBondContact O-N 3.27Å; E56-P58 VanDerWaalsContact C-CD 3.47Å
57T93Very high96.1Very high38 Ų3854.3 Ų54.323%0.23325%0.254CS..  trans-13060.5-173.661.90000112.8P23 M53 I54 K59 N60P23-T57 HydrophobicContact CB-CG2 4.47Å; P23-T57 HydrophobicContact CG-CG2 4.07Å; M53-T57 PolarHBondContact O-N 3.37Å; M53-T57 PolarHBondContact O-OG1 2.82Å; I54-T57 CarbonylContact O-C 3.53Å; T57-K59 PolarHBondContact O-N 3.06Å; T57-N60 VanDerWaalsContact O-CB 3.27Å; T57-N60 WeakPolarHBondContact O-CB 3.1Å; T57-N60 PolarHBondContact O-N 3.39Å
58P93Very high96.1Very high46 Ų4657 Ų5730%0.29927%0.265SS..THydrogen-bonded Turntrans-66.1-14.4-168.625.5-35.6000114.7I54 E56 W64I54-P58 WeakPolarHBondContact O-CA 3.27Å; I54-P58 VanDerWaalsContact O-CB 3.31Å; I54-P58 WeakPolarHBondContact O-CB 3.25Å; I54-P58 WeakPolarHBondContact O-CD 3.43Å; E56-P58 VanDerWaalsContact C-CD 3.47Å; P58-W64 PolarHBondContact O-NE1 3.03Å
59K93.7Very high96.1Very high154 Ų15452.4 Ų52.467%0.6725%0.248SC*.THydrogen-bonded Turntrans-100.311.4179.2-59.1-176.4-1781790113.6T57 Y61 H96T57-K59 PolarHBondContact O-N 3.06Å; K59-Y61 PolarHBondContact O-N 3.47Å; K59-H96 WeakPolarHBondContact CA-NE2 3.29Å; K59-H96 PolarHBondContact O-CE1 3.48Å; K59-H96 PolarHBondContact O-NE2 2.92Å
60N93.8Very high96.2Very high16 Ų1651.8 Ų51.89%0.08625%0.245CC..  trans-83.9105.5-176.8-179.3-11.2000112.6P23 T57 Q62 L63 W64P23-N60 VanDerWaalsContact C-ND2 3.28Å; P23-N60 WeakPolarHBondContact CB-ND2 3.14Å; P23-N60 PolarHBondContact O-ND2 2.97Å; P23-N60 PolarHBondContact O-OD1 3.27Å; T57-N60 VanDerWaalsContact O-CB 3.27Å; T57-N60 WeakPolarHBondContact O-CB 3.1Å; T57-N60 PolarHBondContact O-N 3.39Å; N60-Q62 VanDerWaalsContact C-N 3.32Å; N60-Q62 PolarHBondContact O-N 3.23Å; N60-Q62 PolarHBondContact OD1-N 3.28Å; N60-L63 HydrophobicContact CB-CB 3.97Å; N60-L63 PolarHBondContact O-N 2.85Å; N60-L63 PolarHBondContact OD1-N 2.98Å; N60-W64 PolarHBondContact O-N 3.31Å
61Y95.9Very high96.2Very high142 Ų14251.8 Ų51.856%0.55725%0.245SC*.Hα-helixtrans-54.9-40.4176.9-70.7-80.3000114.7K59 L63 W64 H65 H96K59-Y61 PolarHBondContact O-N 3.47Å; Y61-L63 VanDerWaalsContact C-N 3.31Å; Y61-L63 PolarHBondContact O-N 3.19Å; Y61-W64 PolarHBondContact O-N 3.35Å; Y61-H65 VanDerWaalsContact O-CB 3.3Å; Y61-H65 WeakPolarHBondContact O-CB 3.32Å; Y61-H65 PolarHBondContact O-N 3.46Å; Y61-H96 AromaticContact CD1-CE1 3.5Å; Y61-H96 AromaticContact CD1-ND1 3.77Å; Y61-H96 AromaticContact CD2-CE1 3.85Å; Y61-H96 AromaticContact CE1-CE1 3.28Å; Y61-H96 WeakPolarHBondContact CE1-CE1 3.45Å; Y61-H96 AromaticContact CE1-ND1 3.74Å; Y61-H96 AromaticContact CE2-CE1 3.65Å; Y61-H96 AromaticContact CG-CE1 3.78Å; Y61-H96 AromaticContact CZ-CE1 3.36Å
62Q97Very high96.3Very high56 Ų5654.2 Ų54.226%0.26225%0.254SS..Hα-helixtrans-69.4-34.9-175.7-60.1-56.8-16.800111.8W29 N60 H66W29-Q62 HydrophobicContact CG-CB 4.02Å; N60-Q62 VanDerWaalsContact C-N 3.32Å; N60-Q62 PolarHBondContact O-N 3.23Å; N60-Q62 PolarHBondContact OD1-N 3.28Å; Q62-H66 WeakPolarHBondContact O-CB 3.44Å; Q62-H66 PolarHBondContact O-N 3.49Å
63L96.9Very high96.3Very high0 Ų053.4 Ų53.40%025%0.253CS..Hα-helixtrans-69.6-45.6176.717955.7000112W29 C50 M53 I54 N60 Y61 H65 H66 R67W29-L63 HydrophobicContact CH2-CD1 3.55Å; W29-L63 HydrophobicContact CZ2-CB 4.15Å; W29-L63 HydrophobicContact CZ2-CD1 4.02Å; W29-L63 HydrophobicContact CZ3-CD1 4.14Å; C50-L63 HydrophobicContact CB-CD1 4.15Å; M53-L63 VanDerWaalsContact C-CD2 3.45Å; M53-L63 HydrophobicContact CB-CD1 3.98Å; M53-L63 HydrophobicContact CB-CD2 3.45Å; M53-L63 VanDerWaalsContact CB-CD2 3.45Å; M53-L63 HydrophobicContact CB-CG 4.37Å; I54-L63 HydrophobicContact CB-CD2 4.25Å; I54-L63 HydrophobicContact CD1-CG 4.18Å; I54-L63 HydrophobicContact CG1-CD1 4.37Å; I54-L63 HydrophobicContact CG1-CD2 3.42Å; I54-L63 VanDerWaalsContact CG1-CD2 3.42Å; I54-L63 HydrophobicContact CG1-CG 3.55Å; N60-L63 HydrophobicContact CB-CB 3.97Å; N60-L63 PolarHBondContact O-N 2.85Å; N60-L63 PolarHBondContact OD1-N 2.98Å; Y61-L63 VanDerWaalsContact C-N 3.31Å; Y61-L63 PolarHBondContact O-N 3.19Å; L63-H65 VanDerWaalsContact C-N 3.34Å; L63-H65 PolarHBondContact O-N 2.97Å; L63-H66 WeakPolarHBondContact O-CB 3.35Å; L63-H66 PolarHBondContact O-N 3.22Å; L63-R67 PolarHBondContact O-N 2.89Å
64W98.1Very high96.4Very high14 Ų1455.8 Ų55.85%0.05327%0.266CS..Hα-helixtrans-61.5-42.6173.7-75.4105.2000112.1I54 P58 N60 Y61 R67 K68 F83 V87 H96 A97 Y100I54-W64 HydrophobicContact CD1-CD2 4.14Å; I54-W64 HydrophobicContact CD1-CE3 4.2Å; I54-W64 HydrophobicContact CD1-CH2 4.44Å; I54-W64 HydrophobicContact CD1-CZ2 4.39Å; I54-W64 HydrophobicContact CD1-CZ3 4.35Å; I54-W64 HydrophobicContact CG2-CH2 4.18Å; I54-W64 HydrophobicContact CG2-CZ2 3.64Å; P58-W64 PolarHBondContact O-NE1 3.03Å; N60-W64 PolarHBondContact O-N 3.31Å; Y61-W64 PolarHBondContact O-N 3.35Å; W64-R67 PolarHBondContact O-N 3.37Å; W64-K68 WeakPolarHBondContact O-CB 3.39Å; W64-K68 PolarHBondContact O-N 3.25Å; W64-F83 HydrophobicContact CH2-CE1 4.11Å; W64-F83 HydrophobicContact CH2-CZ 4.37Å; W64-F83 AromaticContact CZ3-CE1 3.93Å; W64-F83 HydrophobicContact CZ3-CE1 3.93Å; W64-V87 HydrophobicContact CH2-CG1 4.18Å; W64-V87 HydrophobicContact CH2-CG2 4.22Å; W64-V87 HydrophobicContact CZ2-CG1 4.15Å; W64-H96 VanDerWaalsContact CD1-CB 3.48Å; W64-H96 AromaticContact CD1-CG 3.7Å; W64-H96 AromaticContact CD1-ND1 3.73Å; W64-H96 HydrophobicContact CD2-CB 3.82Å; W64-H96 VanDerWaalsContact CE2-CB 3.46Å; W64-H96 HydrophobicContact CG-CB 3.86Å; W64-H96 HydrophobicContact CZ2-CB 4.01Å; W64-H96 VanDerWaalsContact NE1-CB 3.25Å; W64-H96 AromaticContact NE1-CG 3.72Å; W64-A97 HydrophobicContact CH2-CB 3.85Å; W64-A97 HydrophobicContact CZ2-CB 4.28Å; W64-Y100 HydrophobicContact CE3-CD1 4.49Å; W64-Y100 AromaticContact CE3-CD2 3.87Å; W64-Y100 HydrophobicContact CE3-CD2 3.87Å; W64-Y100 AromaticContact CE3-CG 3.79Å; W64-Y100 HydrophobicContact CE3-CG 3.79Å; W64-Y100 HydrophobicContact CZ3-CD1 4.1Å; W64-Y100 HydrophobicContact CZ3-CD2 4.29Å; W64-Y100 AromaticContact CZ3-CG 3.78Å; W64-Y100 HydrophobicContact CZ3-CG 3.78Å
65H97.7Very high96.5Very high84 Ų8463.9 Ų63.939%0.38930%0.301SS..Hα-helixtrans-63.6-42174.4177.862.1000111.7Y61 L63 K68 V69Y61-H65 VanDerWaalsContact O-CB 3.3Å; Y61-H65 WeakPolarHBondContact O-CB 3.32Å; Y61-H65 PolarHBondContact O-N 3.46Å; L63-H65 VanDerWaalsContact C-N 3.34Å; L63-H65 PolarHBondContact O-N 2.97Å; H65-K68 WeakPolarHBondContact O-CB 3.49Å; H65-K68 PolarHBondContact O-N 2.72Å; H65-V69 WeakPolarHBondContact O-CG2 3.41Å; H65-V69 PolarHBondContact O-N 2.97Å
66H97.9Very high96.7Very high0 Ų059.4 Ų59.40%028%0.284CS..Hα-helixtrans-59.3-50.3176.7179.339.2000111.4W29 R33 E46 C50 Q62 L63 K68 V69 L70W29-H66 HydrophobicContact CD2-CB 4.49Å; W29-H66 HydrophobicContact CE3-CB 3.97Å; W29-H66 AromaticContact CE3-CD2 3.39Å; W29-H66 AromaticContact CE3-CG 3.71Å; W29-H66 HydrophobicContact CZ3-CB 4.41Å; W29-H66 AromaticContact CZ3-CD2 3.29Å; W29-H66 WeakPolarHBondContact CZ3-CD2 3.32Å; W29-H66 AromaticContact CZ3-NE2 3.96Å; R33-H66 WeakPolarHBondContact CD-ND1 3.43Å; R33-H66 WeakPolarHBondContact CG-CE1 3.38Å; R33-H66 WeakPolarHBondContact CG-ND1 3.39Å; E46-H66 IonicContact OE1-CD2 3.35Å; E46-H66 IonicContact OE1-NE2 3.46Å; E46-H66 PolarHBondContact OE1-NE2 3.07Å; C50-H66 VanDerWaalsContact SG-CD2 3.54Å; Q62-H66 WeakPolarHBondContact O-CB 3.44Å; Q62-H66 PolarHBondContact O-N 3.49Å; L63-H66 WeakPolarHBondContact O-CB 3.35Å; L63-H66 PolarHBondContact O-N 3.22Å; H66-K68 VanDerWaalsContact C-N 3.3Å; H66-K68 PolarHBondContact O-N 3.05Å; H66-V69 PolarHBondContact O-N 3.38Å; H66-L70 WeakPolarHBondContact O-CG 3.47Å; H66-L70 PolarHBondContact O-N 3.25Å
67R98.3Very high96.9Very high6 Ų653.6 Ų53.62%0.02326%0.259CS..Hα-helixtrans-55.6-45.1175.3-168.9-174.4-176.985.93.8111.6L47 C50 S51 L63 W64 V69 L70 V71 E80 F83 Y100L47-R67 HydrophobicContact CD2-CG 3.56Å; L47-R67 PolarHBondContact O-NH1 3.33Å; C50-R67 HydrophobicContact CB-CB 4.34Å; C50-R67 HydrophobicContact CB-CG 4.35Å; S51-R67 PolarHBondContact OG-NH1 3.31Å; L63-R67 PolarHBondContact O-N 2.89Å; W64-R67 PolarHBondContact O-N 3.37Å; R67-V69 PolarHBondContact O-N 3.45Å; R67-L70 WeakPolarHBondContact O-CB 3.41Å; R67-L70 PolarHBondContact O-N 2.96Å; R67-V71 WeakPolarHBondContact O-CG2 3.46Å; R67-V71 PolarHBondContact O-N 2.75Å; R67-E80 IonicContact CZ-OE1 2.99Å; R67-E80 IonicContact CZ-OE2 2.73Å; R67-E80 VanDerWaalsContact CZ-OE2 3.23Å; R67-E80 IonicContact NE-OE1 3.91Å; R67-E80 IonicContact NE-OE2 2.66Å; R67-E80 PolarHBondContact NE-OE2 3.34Å; R67-E80 IonicContact NH2-OE1 3.81Å; R67-E80 PolarHBondContact NH2-OE1 2.78Å; R67-E80 IonicContact NH2-OE2 3.59Å; R67-E80 PolarHBondContact NH2-OE2 2.9Å; R67-F83 VanDerWaalsContact CZ-CD1 3.47Å; R67-F83 VanDerWaalsContact NE-CE1 3.35Å; R67-Y100 HydrophobicContact CG-CE2 4.41Å
68K98.3Very high97.1Very high63 Ų6356.2 Ų56.227%0.27428%0.276SS..Hα-helixtrans-55.9-50.3176173.6170.8163.91630112W64 H65 H66 L70 V71 E72 Y100 W103W64-K68 WeakPolarHBondContact O-CB 3.39Å; W64-K68 PolarHBondContact O-N 3.25Å; H65-K68 WeakPolarHBondContact O-CB 3.49Å; H65-K68 PolarHBondContact O-N 2.72Å; H66-K68 VanDerWaalsContact C-N 3.3Å; H66-K68 PolarHBondContact O-N 3.05Å; K68-L70 VanDerWaalsContact C-N 3.29Å; K68-L70 PolarHBondContact O-N 3.19Å; K68-V71 PolarHBondContact O-N 2.97Å; K68-E72 WeakPolarHBondContact CE-OE1 3.42Å; K68-E72 HydrophobicContact CG-CG 4.42Å; K68-E72 IonicContact NZ-OE1 2.71Å; K68-E72 WeakPolarHBondContact O-CG 3.41Å; K68-E72 PolarHBondContact O-N 2.95Å; K68-Y100 HydrophobicContact CB-CD2 4.45Å; K68-Y100 HydrophobicContact CB-CE2 3.93Å; K68-W103 HydrophobicContact CB-CH2 4.46Å; K68-W103 HydrophobicContact CB-CZ3 4.43Å; K68-W103 HydrophobicContact CD-CD2 3.77Å; K68-W103 HydrophobicContact CD-CE3 4.32Å; K68-W103 HydrophobicContact CD-CG 4.09Å; K68-W103 HydrophobicContact CD-CZ2 4.21Å; K68-W103 VanDerWaalsContact CE-CE2 3.48Å; K68-W103 HydrophobicContact CG-CD2 3.96Å; K68-W103 HydrophobicContact CG-CE3 4.18Å; K68-W103 HydrophobicContact CG-CH2 3.87Å; K68-W103 HydrophobicContact CG-CZ2 3.63Å; K68-W103 HydrophobicContact CG-CZ3 4.12Å
69V98.1Very high97.4Very high35 Ų3555.9 Ų55.921%0.21228%0.28CS..Hα-helixtrans-60.7-38.4178.9174.50000111.9H65 H66 R67 T73H65-V69 WeakPolarHBondContact O-CG2 3.41Å; H65-V69 PolarHBondContact O-N 2.97Å; H66-V69 PolarHBondContact O-N 3.38Å; R67-V69 PolarHBondContact O-N 3.45Å; V69-T73 WeakPolarHBondContact O-CB 3.03Å; V69-T73 PolarHBondContact O-N 3.16Å; V69-T73 PolarHBondContact O-OG1 2.94Å
70L98.4Very high97.6Very high2 Ų248.8 Ų48.81%0.0125%0.249CC..Hα-helixtrans-63.6-47.2177-64.4171.1000111.2L36 F43 E46 L47 H66 R67 K68 T73 L74L36-L70 HydrophobicContact CD1-CD2 4.48Å; F43-L70 HydrophobicContact CB-CD2 4.05Å; F43-L70 HydrophobicContact CD1-CD2 4.03Å; F43-L70 HydrophobicContact CD2-CD2 3.7Å; F43-L70 HydrophobicContact CE1-CD2 4.42Å; F43-L70 HydrophobicContact CE2-CD2 4.07Å; F43-L70 HydrophobicContact CG-CD2 3.67Å; F43-L70 HydrophobicContact CZ-CD2 4.43Å; E46-L70 HydrophobicContact CB-CD1 3.95Å; E46-L70 HydrophobicContact CG-CD1 3.39Å; E46-L70 HydrophobicContact CG-CD2 4.24Å; E46-L70 HydrophobicContact CG-CG 4.45Å; L47-L70 HydrophobicContact CD2-CB 3.89Å; L47-L70 HydrophobicContact CD2-CD1 4.02Å; L47-L70 HydrophobicContact CG-CB 4.43Å; L47-L70 HydrophobicContact CG-CD1 4.48Å; H66-L70 WeakPolarHBondContact O-CG 3.47Å; H66-L70 PolarHBondContact O-N 3.25Å; R67-L70 WeakPolarHBondContact O-CB 3.41Å; R67-L70 PolarHBondContact O-N 2.96Å; K68-L70 VanDerWaalsContact C-N 3.29Å; K68-L70 PolarHBondContact O-N 3.19Å; L70-T73 PolarHBondContact O-N 2.99Å; L70-L74 WeakPolarHBondContact O-CB 3.36Å; L70-L74 WeakPolarHBondContact O-CG 3.47Å; L70-L74 PolarHBondContact O-N 3.09Å
71V98.5Very high97.8Very high0 Ų050.1 Ų50.10%026%0.257CS..Hα-helixtrans-65.3-40.4178.1175.60000111.6L47 R67 K68 T73 L74 K75 E80 Y100 W103 L104 F108L47-V71 HydrophobicContact CD1-CG2 4.11Å; L47-V71 HydrophobicContact CD2-CG2 3.83Å; R67-V71 WeakPolarHBondContact O-CG2 3.46Å; R67-V71 PolarHBondContact O-N 2.75Å; K68-V71 PolarHBondContact O-N 2.97Å; V71-T73 VanDerWaalsContact C-N 3.29Å; V71-T73 PolarHBondContact O-N 2.96Å; V71-L74 PolarHBondContact O-N 3.26Å; V71-K75 PolarHBondContact O-N 3.32Å; V71-E80 HydrophobicContact CG1-CG 4.29Å; V71-E80 HydrophobicContact CG2-CG 3.95Å; V71-Y100 VanDerWaalsContact CG2-OH 3.31Å; V71-Y100 WeakPolarHBondContact CG2-OH 3.35Å; V71-W103 HydrophobicContact CB-CH2 4.05Å; V71-W103 HydrophobicContact CG1-CH2 3.89Å; V71-W103 HydrophobicContact CG1-CZ3 4.41Å; V71-L104 HydrophobicContact CG1-CD1 4.15Å; V71-F108 HydrophobicContact CG1-CE2 3.66Å; V71-F108 HydrophobicContact CG1-CZ 3.75Å
72E97.7Very high97.9Very high78 Ų7849.1 Ų49.136%0.36426%0.261SS..Hα-helixtrans-60.6-39.1173.5-73.9175.8158.900112K68 K75 W103K68-E72 WeakPolarHBondContact CE-OE1 3.42Å; K68-E72 HydrophobicContact CG-CG 4.42Å; K68-E72 IonicContact NZ-OE1 2.71Å; K68-E72 WeakPolarHBondContact O-CG 3.41Å; K68-E72 PolarHBondContact O-N 2.95Å; E72-K75 WeakPolarHBondContact O-CG 3.32Å; E72-K75 PolarHBondContact O-N 2.71Å; E72-W103 HydrophobicContact CG-CH2 4.11Å; E72-W103 HydrophobicContact CG-CZ2 3.42Å; E72-W103 VanDerWaalsContact CG-CZ2 3.42Å; E72-W103 PolarHBondContact OE1-NE1 2.92Å
73T97.6Very high97.9Very high84 Ų8447.3 Ų47.352%0.51525%0.252SS..Hα-helixtrans-72.2-40.1179.2-52.60000111.6F43 V69 L70 V71 K75F43-T73 HydrophobicContact CD2-CG2 4.06Å; F43-T73 HydrophobicContact CE2-CG2 3.52Å; V69-T73 WeakPolarHBondContact O-CB 3.03Å; V69-T73 PolarHBondContact O-N 3.16Å; V69-T73 PolarHBondContact O-OG1 2.94Å; L70-T73 PolarHBondContact O-N 2.99Å; V71-T73 VanDerWaalsContact C-N 3.29Å; V71-T73 PolarHBondContact O-N 2.96Å; T73-K75 VanDerWaalsContact C-N 3.27Å; T73-K75 PolarHBondContact O-N 2.96Å
74L98Very high98Very high52 Ų5247.3 Ų47.327%0.27225%0.252SS..Hα-helixtrans-67.4-28.2175.4-76.3168.2000112.6F43 R44 L47 L70 V71 D76F43-L74 HydrophobicContact CB-CD1 3.82Å; F43-L74 HydrophobicContact CB-CD2 4.01Å; F43-L74 HydrophobicContact CB-CG 3.87Å; F43-L74 HydrophobicContact CD2-CG 4.44Å; R44-L74 HydrophobicContact CG-CD1 4.33Å; R44-L74 HydrophobicContact CG-CD2 4.48Å; L47-L74 HydrophobicContact CD1-CD1 3.71Å; L47-L74 HydrophobicContact CG-CD1 4.49Å; L70-L74 WeakPolarHBondContact O-CB 3.36Å; L70-L74 WeakPolarHBondContact O-CG 3.47Å; L70-L74 PolarHBondContact O-N 3.09Å; V71-L74 PolarHBondContact O-N 3.26Å; L74-D76 HydrophobicContact CB-CB 4.45Å; L74-D76 PolarHBondContact O-N 2.95Å
75K98Very high98Very high171 Ų17147.4 Ų47.474%0.74326%0.255SS*.THydrogen-bonded Turntrans53.832-172-57.1-178.2179.9-179.10113V71 E72 T73V71-K75 PolarHBondContact O-N 3.32Å; E72-K75 WeakPolarHBondContact O-CG 3.32Å; E72-K75 PolarHBondContact O-N 2.71Å; T73-K75 VanDerWaalsContact C-N 3.27Å; T73-K75 PolarHBondContact O-N 2.96Å
76D98Very high97.9Very high57 Ų5745.3 Ų45.331%0.30525%0.25SC..  trans-140.9108.6-174.8-174.4-18000109.9R44 L74 T78R44-D76 IonicContact CZ-OD2 3.23Å; R44-D76 IonicContact NH2-OD1 2.95Å; R44-D76 PolarHBondContact NH2-OD1 3.27Å; R44-D76 IonicContact NH2-OD2 2.71Å; R44-D76 PolarHBondContact NH2-OD2 3.46Å; L74-D76 HydrophobicContact CB-CB 4.45Å; L74-D76 PolarHBondContact O-N 2.95Å; D76-T78 VanDerWaalsContact C-N 3.25Å; D76-T78 PolarHBondContact O-N 2.69Å; D76-T78 WeakPolarHBondContact OD1-CB 3.48Å; D76-T78 PolarHBondContact OD1-N 2.83Å; D76-T78 PolarHBondContact OD1-OG1 2.9Å
77P97.9Very high97.9Very high28 Ų2846.1 Ų46.118%0.18225%0.254CS..  trans-84.56.4-177.736.8-36.3000113.1G79 E80 L104 F108 I110P77-G79 PolarHBondContact O-N 2.85Å; P77-E80 VanDerWaalsContact O-CB 3.29Å; P77-E80 WeakPolarHBondContact O-CB 3.19Å; P77-E80 WeakPolarHBondContact O-CG 3.44Å; P77-E80 PolarHBondContact O-N 3.39Å; P77-L104 HydrophobicContact CB-CD1 3.89Å; P77-L104 HydrophobicContact CB-CG 4.42Å; P77-F108 HydrophobicContact CB-CB 4.21Å; P77-F108 HydrophobicContact CB-CD1 4.1Å; P77-F108 HydrophobicContact CB-CD2 3.76Å; P77-F108 HydrophobicContact CB-CE1 4.43Å; P77-F108 HydrophobicContact CB-CE2 4.13Å; P77-F108 HydrophobicContact CB-CG 3.74Å; P77-F108 HydrophobicContact CB-CZ 4.44Å; P77-F108 HydrophobicContact CG-CB 3.91Å; P77-F108 HydrophobicContact CG-CD1 3.74Å; P77-F108 HydrophobicContact CG-CD2 4.24Å; P77-F108 HydrophobicContact CG-CE1 4.32Å; P77-F108 HydrophobicContact CG-CG 3.68Å; P77-I110 HydrophobicContact CB-CD1 4.07Å; P77-I110 HydrophobicContact CG-CD1 4.22Å
78T97.3Very high97.9Very high93 Ų9346 Ų4657%0.57125%0.254SS*.THydrogen-bonded Turntrans-56.3125.2-175.9-61.30000111.1R44 D76 E80R44-T78 PolarHBondContact NH1-O 3.37Å; D76-T78 VanDerWaalsContact C-N 3.25Å; D76-T78 PolarHBondContact O-N 2.69Å; D76-T78 WeakPolarHBondContact OD1-CB 3.48Å; D76-T78 PolarHBondContact OD1-N 2.83Å; D76-T78 PolarHBondContact OD1-OG1 2.9Å; T78-E80 VanDerWaalsContact C-N 3.32Å
79G97.3Very high97.8Very high39 Ų3952.2 Ų52.240%0.40228%0.276SS..THydrogen-bonded Turntrans86-10.8-179.500000115P77 D82 F83P77-G79 PolarHBondContact O-N 2.85Å; G79-D82 PolarHBondContact O-N 3.38Å; G79-F83 WeakPolarHBondContact O-CB 3.36Å; G79-F83 PolarHBondContact O-N 3.23Å
80E98.3Very high97.7Very high4 Ų458.9 Ų58.92%0.01931%0.305CS..Hα-helixtrans-70.7-38.7-174.9-65.7-54.611600112.6R67 V71 P77 T78 D82 F83 I84 Y100 L104R67-E80 IonicContact CZ-OE1 2.99Å; R67-E80 IonicContact CZ-OE2 2.73Å; R67-E80 VanDerWaalsContact CZ-OE2 3.23Å; R67-E80 IonicContact NE-OE1 3.91Å; R67-E80 IonicContact NE-OE2 2.66Å; R67-E80 PolarHBondContact NE-OE2 3.34Å; R67-E80 IonicContact NH2-OE1 3.81Å; R67-E80 PolarHBondContact NH2-OE1 2.78Å; R67-E80 IonicContact NH2-OE2 3.59Å; R67-E80 PolarHBondContact NH2-OE2 2.9Å; V71-E80 HydrophobicContact CG1-CG 4.29Å; V71-E80 HydrophobicContact CG2-CG 3.95Å; P77-E80 VanDerWaalsContact O-CB 3.29Å; P77-E80 WeakPolarHBondContact O-CB 3.19Å; P77-E80 WeakPolarHBondContact O-CG 3.44Å; P77-E80 PolarHBondContact O-N 3.39Å; T78-E80 VanDerWaalsContact C-N 3.32Å; E80-D82 VanDerWaalsContact C-N 3.34Å; E80-D82 PolarHBondContact O-N 3.44Å; E80-F83 WeakPolarHBondContact O-CB 3.39Å; E80-F83 PolarHBondContact O-N 3.24Å; E80-I84 VanDerWaalsContact O-CD1 3.32Å; E80-I84 WeakPolarHBondContact O-CD1 3.31Å; E80-I84 WeakPolarHBondContact O-CG1 3.34Å; E80-I84 PolarHBondContact O-N 3.27Å; E80-Y100 PolarHBondContact OE2-OH 2.89Å; E80-L104 HydrophobicContact CB-CD1 3.83Å; E80-L104 HydrophobicContact CB-CD2 3.5Å; E80-L104 HydrophobicContact CB-CG 4.33Å; E80-L104 HydrophobicContact CG-CD1 4.06Å
81L98.2Very high97.6Very high45 Ų4561.7 Ų61.724%0.23632%0.32CS..Hα-helixtrans-63.3-39.9175.4-69.9178.6000112I84 C85 R101 L104 V105 I110L81-I84 HydrophobicContact CD2-CD1 4.45Å; L81-I84 PolarHBondContact O-N 3.46Å; L81-C85 WeakPolarHBondContact O-CB 3.37Å; L81-C85 PolarHBondContact O-N 3.47Å; L81-C85 PolarHBondContact O-SG 3.21Å; L81-R101 HydrophobicContact CD2-CG 4.36Å; L81-L104 HydrophobicContact CD2-CD2 3.72Å; L81-L104 HydrophobicContact CG-CD2 3.99Å; L81-V105 HydrophobicContact CD2-CG1 4.19Å; L81-I110 HydrophobicContact CD1-CD1 4.07Å; L81-I110 HydrophobicContact CG-CD1 4.26Å
82D97.8Very high97.5Very high120 Ų12063.6 Ų63.664%0.64233%0.333SS*.Hα-helixtrans-66.4-41.6176.2-71.8-32.6000111.7G79 E80 C85 S86G79-D82 PolarHBondContact O-N 3.38Å; E80-D82 VanDerWaalsContact C-N 3.34Å; E80-D82 PolarHBondContact O-N 3.44Å; D82-C85 WeakPolarHBondContact O-CB 3.28Å; D82-C85 PolarHBondContact O-N 3.41Å; D82-S86 PolarHBondContact O-N 3.03Å
83F98.1Very high97.5Very high18 Ų1863.9 Ų63.98%0.07933%0.333CS..Hα-helixtrans-58.1-51.7172.9166.4-106.2000111.2I54 W64 R67 G79 E80 C85 S86 V87I54-F83 HydrophobicContact CB-CZ 4.15Å; I54-F83 HydrophobicContact CD1-CE1 4.07Å; I54-F83 HydrophobicContact CD1-CZ 3.53Å; I54-F83 HydrophobicContact CG1-CZ 4.4Å; I54-F83 HydrophobicContact CG2-CZ 3.95Å; W64-F83 HydrophobicContact CH2-CE1 4.11Å; W64-F83 HydrophobicContact CH2-CZ 4.37Å; W64-F83 AromaticContact CZ3-CE1 3.93Å; W64-F83 HydrophobicContact CZ3-CE1 3.93Å; R67-F83 VanDerWaalsContact CZ-CD1 3.47Å; R67-F83 VanDerWaalsContact NE-CE1 3.35Å; G79-F83 WeakPolarHBondContact O-CB 3.36Å; G79-F83 PolarHBondContact O-N 3.23Å; E80-F83 WeakPolarHBondContact O-CB 3.39Å; E80-F83 PolarHBondContact O-N 3.24Å; F83-C85 VanDerWaalsContact C-N 3.29Å; F83-C85 PolarHBondContact O-N 2.95Å; F83-S86 WeakPolarHBondContact O-CA 3.12Å; F83-S86 WeakPolarHBondContact O-CB 3.49Å; F83-S86 PolarHBondContact O-N 3.07Å; F83-S86 PolarHBondContact O-OG 3.22Å; F83-V87 HydrophobicContact CD2-CG2 4.49Å; F83-V87 HydrophobicContact CE1-CG2 4.26Å; F83-V87 HydrophobicContact CE2-CG2 3.88Å; F83-V87 HydrophobicContact CZ-CG2 3.74Å; F83-V87 PolarHBondContact O-N 3.38Å; F83-V87 VanDerWaalsContact O-N 3.13Å
84I98Very high97.5Very high0 Ų060.1 Ų60.10%031%0.31CS..Hα-helixtrans-60.1-42.3178.7-64.1157.8000110.8E80 L81 S86 V87 L88 A97 Y100 R101 L104E80-I84 VanDerWaalsContact O-CD1 3.32Å; E80-I84 WeakPolarHBondContact O-CD1 3.31Å; E80-I84 WeakPolarHBondContact O-CG1 3.34Å; E80-I84 PolarHBondContact O-N 3.27Å; L81-I84 HydrophobicContact CD2-CD1 4.45Å; L81-I84 PolarHBondContact O-N 3.46Å; I84-S86 PolarHBondContact O-N 3Å; I84-V87 PolarHBondContact O-N 3.39Å; I84-V87 VanDerWaalsContact O-N 3.12Å; I84-L88 HydrophobicContact CG2-CD1 3.72Å; I84-L88 HydrophobicContact CG2-CG 4.19Å; I84-L88 WeakPolarHBondContact O-CG 3.36Å; I84-L88 PolarHBondContact O-N 3.03Å; I84-A97 HydrophobicContact CG2-CB 4.43Å; I84-Y100 HydrophobicContact CD1-CD1 3.51Å; I84-Y100 HydrophobicContact CD1-CE1 3.89Å; I84-Y100 HydrophobicContact CG1-CD1 3.64Å; I84-Y100 HydrophobicContact CG1-CE1 4.1Å; I84-R101 HydrophobicContact CD1-CB 4.18Å; I84-R101 HydrophobicContact CD1-CG 4.22Å; I84-R101 HydrophobicContact CG2-CB 4.04Å; I84-R101 HydrophobicContact CG2-CG 4.23Å; I84-L104 HydrophobicContact CD1-CD2 3.78Å
85C97.6Very high97.5Very high16 Ų1664 Ų6411%0.10832%0.322CS..Hα-helixtrans-57.7-38.7174.9-75.80000111.6L81 D82 F83 L88 R89 Y117L81-C85 WeakPolarHBondContact O-CB 3.37Å; L81-C85 PolarHBondContact O-N 3.47Å; L81-C85 PolarHBondContact O-SG 3.21Å; D82-C85 WeakPolarHBondContact O-CB 3.28Å; D82-C85 PolarHBondContact O-N 3.41Å; F83-C85 VanDerWaalsContact C-N 3.29Å; F83-C85 PolarHBondContact O-N 2.95Å; C85-L88 PolarHBondContact O-N 3.49Å; C85-R89 VanDerWaalsContact O-CG 3.25Å; C85-R89 WeakPolarHBondContact O-CG 3.21Å; C85-R89 PolarHBondContact O-N 2.89Å; C85-Y117 VanDerWaalsContact SG-CE2 3.51Å
86S97.1Very high97.5Very high41 Ų4156.5 Ų56.529%0.28729%0.289SS..Hα-helixtrans-64.8-40.4175.478.90000112.3D82 F83 I84 R89D82-S86 PolarHBondContact O-N 3.03Å; F83-S86 WeakPolarHBondContact O-CA 3.12Å; F83-S86 WeakPolarHBondContact O-CB 3.49Å; F83-S86 PolarHBondContact O-N 3.07Å; F83-S86 PolarHBondContact O-OG 3.22Å; I84-S86 PolarHBondContact O-N 3Å; S86-R89 PolarHBondContact O-N 3.12Å
87V97.8Very high97.5Very high16 Ų1653.8 Ų53.810%0.09728%0.275CS..Hα-helixtrans-67-43.1177.1-179.70000111.2I54 W64 F83 I84 R89 E90 D91 N94 A97I54-V87 HydrophobicContact CG2-CG2 4.12Å; W64-V87 HydrophobicContact CH2-CG1 4.18Å; W64-V87 HydrophobicContact CH2-CG2 4.22Å; W64-V87 HydrophobicContact CZ2-CG1 4.15Å; F83-V87 HydrophobicContact CD2-CG2 4.49Å; F83-V87 HydrophobicContact CE1-CG2 4.26Å; F83-V87 HydrophobicContact CE2-CG2 3.88Å; F83-V87 HydrophobicContact CZ-CG2 3.74Å; F83-V87 PolarHBondContact O-N 3.38Å; F83-V87 VanDerWaalsContact O-N 3.13Å; I84-V87 PolarHBondContact O-N 3.39Å; I84-V87 VanDerWaalsContact O-N 3.12Å; V87-R89 VanDerWaalsContact C-N 3.27Å; V87-R89 PolarHBondContact O-N 3.13Å; V87-E90 PolarHBondContact O-N 3.34Å; V87-D91 PolarHBondContact O-N 2.96Å; V87-N94 HydrophobicContact CG1-CB 4.46Å; V87-A97 HydrophobicContact CB-CB 4.24Å; V87-A97 HydrophobicContact CG1-CB 3.77Å
88L97.8Very high97.5Very high3 Ų353 Ų532%0.01627%0.268CS..Hα-helixtrans-73.1-15.3179.7-70.2175.4000113.8I84 C85 D91 S92 N94 A97 W98 Y117 M121I84-L88 HydrophobicContact CG2-CD1 3.72Å; I84-L88 HydrophobicContact CG2-CG 4.19Å; I84-L88 WeakPolarHBondContact O-CG 3.36Å; I84-L88 PolarHBondContact O-N 3.03Å; C85-L88 PolarHBondContact O-N 3.49Å; L88-D91 CarbonylContact O-C 3.07Å; L88-S92 WeakPolarHBondContact O-CA 3.4Å; L88-S92 PolarHBondContact O-N 2.99Å; L88-N94 HydrophobicContact CD2-CB 4.36Å; L88-A97 HydrophobicContact CD2-CB 3.73Å; L88-A97 HydrophobicContact CG-CB 3.93Å; L88-W98 HydrophobicContact CD1-CD2 4.18Å; L88-W98 HydrophobicContact CD1-CE3 4.34Å; L88-W98 HydrophobicContact CD1-CH2 4.29Å; L88-W98 HydrophobicContact CD1-CZ2 4.13Å; L88-W98 HydrophobicContact CD1-CZ3 4.37Å; L88-W98 HydrophobicContact CD2-CD2 4.23Å; L88-W98 HydrophobicContact CD2-CG 4.21Å; L88-W98 HydrophobicContact CD2-CZ2 4.39Å; L88-Y117 HydrophobicContact CD1-CE1 4.26Å; L88-Y117 WeakPolarHBondContact CD1-OH 2.99Å; L88-M121 HydrophobicContact CB-CE 4.33Å
89R96.3Very high97.6Very high195 Ų19552.7 Ų52.774%0.73626%0.26SS*.Hα-helixtrans-73.3-37.2168.8-77.8170.8-164154.95.5111.8C85 S86 V87C85-R89 VanDerWaalsContact O-CG 3.25Å; C85-R89 WeakPolarHBondContact O-CG 3.21Å; C85-R89 PolarHBondContact O-N 2.89Å; S86-R89 PolarHBondContact O-N 3.12Å; V87-R89 VanDerWaalsContact C-N 3.27Å; V87-R89 PolarHBondContact O-N 3.13Å
90E95.8Very high97.6Very high175 Ų17551.3 Ų51.382%0.81824%0.243SC*.Hα-helixtrans-77.8-41.7178-59.9-58.914900111.8V87V87-E90 PolarHBondContact O-N 3.34Å
91D96.8Very high97.6Very high61 Ų6151.3 Ų51.333%0.32624%0.243SC..  trans-137.496174.2176.76.6000110.2V87 L88 K93 N94V87-D91 PolarHBondContact O-N 2.96Å; L88-D91 CarbonylContact O-C 3.07Å; D91-K93 PolarHBondContact O-N 3.01Å; D91-K93 VanDerWaalsContact O-N 3.07Å; D91-K93 PolarHBondContact OD1-N 3.37Å; D91-N94 HydrophobicContact CB-CB 3.99Å; D91-N94 VanDerWaalsContact O-CB 3.28Å; D91-N94 WeakPolarHBondContact O-CB 3.5Å; D91-N94 PolarHBondContact O-N 2.63Å; D91-N94 PolarHBondContact OD1-N 3.33Å
92S97.2Very high97.6Very high40 Ų4051.1 Ų51.128%0.2824%0.244SC..THydrogen-bonded Turntrans-65.5-11-177.267.30000114.4L88 W98 N128L88-S92 WeakPolarHBondContact O-CA 3.4Å; L88-S92 PolarHBondContact O-N 2.99Å; S92-W98 PolarHBondContact O-NE1 3.07Å; S92-N128 PolarHBondContact O-ND2 3.35Å
93K96.7Very high97.7Very high84 Ų8446.6 Ų46.637%0.36522%0.217SC..THydrogen-bonded Turntrans-115.114.5178-58.2-175.5-170.1-173.70111.6D91 Y95 D125 R127D91-K93 PolarHBondContact O-N 3.01Å; D91-K93 VanDerWaalsContact O-N 3.07Å; D91-K93 PolarHBondContact OD1-N 3.37Å; K93-Y95 PolarHBondContact O-N 2.8Å; K93-D125 WeakPolarHBondContact CE-OD2 3.16Å; K93-D125 IonicContact NZ-OD2 2.72Å; K93-D125 PolarHBondContact NZ-OD2 3.16Å; K93-R127 PolarHBondContact NZ-O 3.06Å
94N97.4Very high97.7Very high4 Ų445.7 Ų45.72%0.02121%0.214CC..  trans-60.6106.8177.7-173.4-55.1000110.6V87 L88 D91 H96 A97 W98V87-N94 HydrophobicContact CG1-CB 4.46Å; L88-N94 HydrophobicContact CD2-CB 4.36Å; D91-N94 HydrophobicContact CB-CB 3.99Å; D91-N94 VanDerWaalsContact O-CB 3.28Å; D91-N94 WeakPolarHBondContact O-CB 3.5Å; D91-N94 PolarHBondContact O-N 2.63Å; D91-N94 PolarHBondContact OD1-N 3.33Å; N94-H96 VanDerWaalsContact C-N 3.31Å; N94-H96 PolarHBondContact O-N 2.92Å; N94-H96 WeakPolarHBondContact OD1-CB 3.32Å; N94-H96 PolarHBondContact OD1-N 2.89Å; N94-A97 HydrophobicContact CB-CB 3.97Å; N94-A97 PolarHBondContact O-N 2.96Å; N94-A97 PolarHBondContact OD1-N 3.42Å; N94-W98 PolarHBondContact O-N 2.89Å; N94-W98 VanDerWaalsContact O-N 3.09Å
95Y97.5Very high97.7Very high133 Ų13345.7 Ų45.752%0.52221%0.214SC..Hα-helixtrans-57.7-41.3-177.2176.2-105.4000113.1K93 W98 Q99K93-Y95 PolarHBondContact O-N 2.8Å; Y95-W98 PolarHBondContact O-N 3.46Å; Y95-Q99 HydrophobicContact CD1-CG 4.23Å; Y95-Q99 HydrophobicContact CD2-CG 4.37Å; Y95-Q99 HydrophobicContact CE1-CG 3.9Å; Y95-Q99 VanDerWaalsContact CE1-NE2 3.26Å; Y95-Q99 HydrophobicContact CE2-CG 4.04Å; Y95-Q99 HydrophobicContact CG-CG 4.49Å; Y95-Q99 WeakPolarHBondContact O-CB 3.49Å; Y95-Q99 WeakPolarHBondContact O-CG 3.49Å; Y95-Q99 PolarHBondContact O-N 3.01Å; Y95-Q99 PolarHBondContact OH-NE2 3.13Å
96H97.8Very high97.8Very high14 Ų1447.9 Ų47.97%0.06523%0.227CC..Hα-helixtrans-67.8-40-178.2-58.4-95000111.7K59 Y61 W64 N94 Q99 Y100K59-H96 WeakPolarHBondContact CA-NE2 3.29Å; K59-H96 PolarHBondContact O-CE1 3.48Å; K59-H96 PolarHBondContact O-NE2 2.92Å; Y61-H96 AromaticContact CD1-CE1 3.5Å; Y61-H96 AromaticContact CD1-ND1 3.77Å; Y61-H96 AromaticContact CD2-CE1 3.85Å; Y61-H96 AromaticContact CE1-CE1 3.28Å; Y61-H96 WeakPolarHBondContact CE1-CE1 3.45Å; Y61-H96 AromaticContact CE1-ND1 3.74Å; Y61-H96 AromaticContact CE2-CE1 3.65Å; Y61-H96 AromaticContact CG-CE1 3.78Å; Y61-H96 AromaticContact CZ-CE1 3.36Å; W64-H96 VanDerWaalsContact CD1-CB 3.48Å; W64-H96 AromaticContact CD1-CG 3.7Å; W64-H96 AromaticContact CD1-ND1 3.73Å; W64-H96 HydrophobicContact CD2-CB 3.82Å; W64-H96 VanDerWaalsContact CE2-CB 3.46Å; W64-H96 HydrophobicContact CG-CB 3.86Å; W64-H96 HydrophobicContact CZ2-CB 4.01Å; W64-H96 VanDerWaalsContact NE1-CB 3.25Å; W64-H96 AromaticContact NE1-CG 3.72Å; N94-H96 VanDerWaalsContact C-N 3.31Å; N94-H96 PolarHBondContact O-N 2.92Å; N94-H96 WeakPolarHBondContact OD1-CB 3.32Å; N94-H96 PolarHBondContact OD1-N 2.89Å; H96-Q99 PolarHBondContact O-N 2.62Å; H96-Y100 WeakPolarHBondContact O-CB 3.4Å; H96-Y100 PolarHBondContact O-N 3.37Å
97A98.3Very high97.8Very high0 Ų051.2 Ų51.20%024%0.238CC..Hα-helixtrans-64.4-42.5176.300000111.3W64 I84 V87 L88 N94 Y100 R101W64-A97 HydrophobicContact CH2-CB 3.85Å; W64-A97 HydrophobicContact CZ2-CB 4.28Å; I84-A97 HydrophobicContact CG2-CB 4.43Å; V87-A97 HydrophobicContact CB-CB 4.24Å; V87-A97 HydrophobicContact CG1-CB 3.77Å; L88-A97 HydrophobicContact CD2-CB 3.73Å; L88-A97 HydrophobicContact CG-CB 3.93Å; N94-A97 HydrophobicContact CB-CB 3.97Å; N94-A97 PolarHBondContact O-N 2.96Å; N94-A97 PolarHBondContact OD1-N 3.42Å; A97-Y100 PolarHBondContact O-N 3.38Å; A97-R101 WeakPolarHBondContact O-CB 3.46Å; A97-R101 PolarHBondContact O-N 3.2Å
98W98.6Very high97.9Very high12 Ų1252.8 Ų52.85%0.04524%0.243CC..Hα-helixtrans-63.9-47.1174.6-77.5113.3000112.4L88 S92 N94 Y95 Y100 R101 T102 Y117 M121 A131 Y134L88-W98 HydrophobicContact CD1-CD2 4.18Å; L88-W98 HydrophobicContact CD1-CE3 4.34Å; L88-W98 HydrophobicContact CD1-CH2 4.29Å; L88-W98 HydrophobicContact CD1-CZ2 4.13Å; L88-W98 HydrophobicContact CD1-CZ3 4.37Å; L88-W98 HydrophobicContact CD2-CD2 4.23Å; L88-W98 HydrophobicContact CD2-CG 4.21Å; L88-W98 HydrophobicContact CD2-CZ2 4.39Å; S92-W98 PolarHBondContact O-NE1 3.07Å; N94-W98 PolarHBondContact O-N 2.89Å; N94-W98 VanDerWaalsContact O-N 3.09Å; Y95-W98 PolarHBondContact O-N 3.46Å; W98-Y100 VanDerWaalsContact C-N 3.29Å; W98-Y100 PolarHBondContact O-N 2.89Å; W98-R101 WeakPolarHBondContact O-CB 3.25Å; W98-R101 PolarHBondContact O-N 2.85Å; W98-T102 PolarHBondContact O-N 3.4Å; W98-T102 PolarHBondContact O-OG1 2.91Å; W98-Y117 AromaticContact CH2-CE1 3.88Å; W98-Y117 HydrophobicContact CH2-CE1 3.88Å; W98-Y117 HydrophobicContact CZ3-CE1 4.09Å; W98-M121 HydrophobicContact CH2-CB 4.42Å; W98-M121 HydrophobicContact CH2-CG 4.1Å; W98-M121 HydrophobicContact CZ2-CE 4.02Å; W98-M121 HydrophobicContact CZ2-CG 4.38Å; W98-A131 HydrophobicContact CH2-CB 4.25Å; W98-A131 HydrophobicContact CZ2-CB 4.18Å; W98-Y134 HydrophobicContact CE3-CD1 4.17Å; W98-Y134 AromaticContact CE3-CD2 3.97Å; W98-Y134 HydrophobicContact CE3-CD2 3.97Å; W98-Y134 AromaticContact CE3-CG 3.72Å; W98-Y134 HydrophobicContact CE3-CG 3.72Å; W98-Y134 HydrophobicContact CH2-CD1 4.28Å; W98-Y134 HydrophobicContact CH2-CG 4.43Å; W98-Y134 AromaticContact CZ3-CD1 3.41Å; W98-Y134 HydrophobicContact CZ3-CD1 3.41Å; W98-Y134 VanDerWaalsContact CZ3-CD1 3.41Å; W98-Y134 HydrophobicContact CZ3-CD2 4.06Å; W98-Y134 HydrophobicContact CZ3-CE1 4.04Å; W98-Y134 AromaticContact CZ3-CG 3.4Å; W98-Y134 HydrophobicContact CZ3-CG 3.4Å; W98-Y134 VanDerWaalsContact CZ3-CG 3.4Å
99Q98.4Very high97.9Very high86 Ų8658.4 Ų58.440%0.40227%0.273SS..Hα-helixtrans-58.5-42.6174.8-76.3-166.3-42.200112.4Y95 H96 W103Y95-Q99 HydrophobicContact CD1-CG 4.23Å; Y95-Q99 HydrophobicContact CD2-CG 4.37Å; Y95-Q99 HydrophobicContact CE1-CG 3.9Å; Y95-Q99 VanDerWaalsContact CE1-NE2 3.26Å; Y95-Q99 HydrophobicContact CE2-CG 4.04Å; Y95-Q99 HydrophobicContact CG-CG 4.49Å; Y95-Q99 WeakPolarHBondContact O-CB 3.49Å; Y95-Q99 WeakPolarHBondContact O-CG 3.49Å; Y95-Q99 PolarHBondContact O-N 3.01Å; Y95-Q99 PolarHBondContact OH-NE2 3.13Å; H96-Q99 PolarHBondContact O-N 2.62Å; Q99-W103 WeakPolarHBondContact O-CB 3.4Å; Q99-W103 PolarHBondContact O-N 3.49Å
100Y98.6Very high97.9Very high10 Ų1051.5 Ų51.54%0.03925%0.251CS..Hα-helixtrans-66.1-40.6178.3-171-92.6000111W64 R67 K68 V71 E80 I84 H96 A97 W98 W103 L104W64-Y100 HydrophobicContact CE3-CD1 4.49Å; W64-Y100 AromaticContact CE3-CD2 3.87Å; W64-Y100 HydrophobicContact CE3-CD2 3.87Å; W64-Y100 AromaticContact CE3-CG 3.79Å; W64-Y100 HydrophobicContact CE3-CG 3.79Å; W64-Y100 HydrophobicContact CZ3-CD1 4.1Å; W64-Y100 HydrophobicContact CZ3-CD2 4.29Å; W64-Y100 AromaticContact CZ3-CG 3.78Å; W64-Y100 HydrophobicContact CZ3-CG 3.78Å; R67-Y100 HydrophobicContact CG-CE2 4.41Å; K68-Y100 HydrophobicContact CB-CD2 4.45Å; K68-Y100 HydrophobicContact CB-CE2 3.93Å; V71-Y100 VanDerWaalsContact CG2-OH 3.31Å; V71-Y100 WeakPolarHBondContact CG2-OH 3.35Å; E80-Y100 PolarHBondContact OE2-OH 2.89Å; I84-Y100 HydrophobicContact CD1-CD1 3.51Å; I84-Y100 HydrophobicContact CD1-CE1 3.89Å; I84-Y100 HydrophobicContact CG1-CD1 3.64Å; I84-Y100 HydrophobicContact CG1-CE1 4.1Å; H96-Y100 WeakPolarHBondContact O-CB 3.4Å; H96-Y100 PolarHBondContact O-N 3.37Å; A97-Y100 PolarHBondContact O-N 3.38Å; W98-Y100 VanDerWaalsContact C-N 3.29Å; W98-Y100 PolarHBondContact O-N 2.89Å; Y100-W103 AromaticContact CD2-CE3 3.92Å; Y100-W103 HydrophobicContact CD2-CE3 3.92Å; Y100-W103 HydrophobicContact CD2-CZ3 4.2Å; Y100-W103 HydrophobicContact CE1-CE3 4.49Å; Y100-W103 HydrophobicContact CE1-CZ3 4.22Å; Y100-W103 AromaticContact CE2-CE3 3.77Å; Y100-W103 HydrophobicContact CE2-CE3 3.77Å; Y100-W103 AromaticContact CE2-CZ3 3.55Å; Y100-W103 HydrophobicContact CE2-CZ3 3.55Å; Y100-W103 HydrophobicContact CG-CE3 4.35Å; Y100-W103 AromaticContact CZ-CZ3 3.56Å; Y100-W103 PolarHBondContact O-N 2.95Å; Y100-L104 VanDerWaalsContact O-CB 3.26Å; Y100-L104 WeakPolarHBondContact O-CB 3.49Å; Y100-L104 PolarHBondContact O-N 2.87Å
101R98.6Very high98.1Very high5 Ų545.2 Ų45.22%0.01922%0.219CC..Hα-helixtrans-59.9-52.7173.7-158.4-179.3-178.1892.5111.9L81 I84 A97 W98 W103 L104 V105 E114 Y134L81-R101 HydrophobicContact CD2-CG 4.36Å; I84-R101 HydrophobicContact CD1-CB 4.18Å; I84-R101 HydrophobicContact CD1-CG 4.22Å; I84-R101 HydrophobicContact CG2-CB 4.04Å; I84-R101 HydrophobicContact CG2-CG 4.23Å; A97-R101 WeakPolarHBondContact O-CB 3.46Å; A97-R101 PolarHBondContact O-N 3.2Å; W98-R101 WeakPolarHBondContact O-CB 3.25Å; W98-R101 PolarHBondContact O-N 2.85Å; R101-W103 VanDerWaalsContact C-N 3.3Å; R101-W103 PolarHBondContact O-N 2.84Å; R101-L104 PolarHBondContact O-N 3.4Å; R101-L104 VanDerWaalsContact O-N 3.14Å; R101-V105 HydrophobicContact CG-CG1 4.46Å; R101-V105 WeakPolarHBondContact O-CG1 3.48Å; R101-V105 WeakPolarHBondContact O-CG2 3.43Å; R101-V105 PolarHBondContact O-N 3.3Å; R101-E114 IonicContact CZ-OE1 3.58Å; R101-E114 IonicContact CZ-OE2 3.83Å; R101-E114 VanDerWaalsContact CZ-OE2 3.28Å; R101-E114 IonicContact NE-OE1 3.81Å; R101-E114 IonicContact NE-OE2 3.89Å; R101-E114 PolarHBondContact NE-OE2 3.05Å; R101-E114 VanDerWaalsContact NH2-CD 3.26Å; R101-E114 IonicContact NH2-OE1 2.69Å; R101-E114 PolarHBondContact NH2-OE1 3.14Å; R101-E114 IonicContact NH2-OE2 2.68Å; R101-E114 PolarHBondContact NH2-OE2 2.89Å; R101-Y134 HydrophobicContact CG-CE2 4.35Å
102T98.6Very high98.1Very high41 Ų4149.9 Ų49.925%0.25224%0.244SC..Hα-helixtrans-52.2-49.1175.5-66.10000111.1W98 V105 T106 F137W98-T102 PolarHBondContact O-N 3.4Å; W98-T102 PolarHBondContact O-OG1 2.91Å; T102-V105 WeakPolarHBondContact O-CG2 3.26Å; T102-T106 WeakPolarHBondContact O-CB 3.41Å; T102-T106 PolarHBondContact O-N 2.94Å; T102-T106 PolarHBondContact O-OG1 2.92Å; T102-T106 VanDerWaalsContact O-OG1 3.06Å; T102-F137 HydrophobicContact CG2-CD1 4.02Å; T102-F137 HydrophobicContact CG2-CD2 4.04Å; T102-F137 HydrophobicContact CG2-CE1 3.54Å; T102-F137 HydrophobicContact CG2-CE2 3.56Å; T102-F137 HydrophobicContact CG2-CG 4.24Å; T102-F137 HydrophobicContact CG2-CZ 3.29Å
103W98.6Very high98.1Very high24 Ų2449.6 Ų49.69%0.09125%0.248CC..Hα-helixtrans-60.6-50.2176.516574.7000111.8K68 V71 E72 Q99 Y100 R101 V105 T106 Q107 F108K68-W103 HydrophobicContact CB-CH2 4.46Å; K68-W103 HydrophobicContact CB-CZ3 4.43Å; K68-W103 HydrophobicContact CD-CD2 3.77Å; K68-W103 HydrophobicContact CD-CE3 4.32Å; K68-W103 HydrophobicContact CD-CG 4.09Å; K68-W103 HydrophobicContact CD-CZ2 4.21Å; K68-W103 VanDerWaalsContact CE-CE2 3.48Å; K68-W103 HydrophobicContact CG-CD2 3.96Å; K68-W103 HydrophobicContact CG-CE3 4.18Å; K68-W103 HydrophobicContact CG-CH2 3.87Å; K68-W103 HydrophobicContact CG-CZ2 3.63Å; K68-W103 HydrophobicContact CG-CZ3 4.12Å; V71-W103 HydrophobicContact CB-CH2 4.05Å; V71-W103 HydrophobicContact CG1-CH2 3.89Å; V71-W103 HydrophobicContact CG1-CZ3 4.41Å; E72-W103 HydrophobicContact CG-CH2 4.11Å; E72-W103 HydrophobicContact CG-CZ2 3.42Å; E72-W103 VanDerWaalsContact CG-CZ2 3.42Å; E72-W103 PolarHBondContact OE1-NE1 2.92Å; Q99-W103 WeakPolarHBondContact O-CB 3.4Å; Q99-W103 PolarHBondContact O-N 3.49Å; Y100-W103 AromaticContact CD2-CE3 3.92Å; Y100-W103 HydrophobicContact CD2-CE3 3.92Å; Y100-W103 HydrophobicContact CD2-CZ3 4.2Å; Y100-W103 HydrophobicContact CE1-CE3 4.49Å; Y100-W103 HydrophobicContact CE1-CZ3 4.22Å; Y100-W103 AromaticContact CE2-CE3 3.77Å; Y100-W103 HydrophobicContact CE2-CE3 3.77Å; Y100-W103 AromaticContact CE2-CZ3 3.55Å; Y100-W103 HydrophobicContact CE2-CZ3 3.55Å; Y100-W103 HydrophobicContact CG-CE3 4.35Å; Y100-W103 AromaticContact CZ-CZ3 3.56Å; Y100-W103 PolarHBondContact O-N 2.95Å; R101-W103 VanDerWaalsContact C-N 3.3Å; R101-W103 PolarHBondContact O-N 2.84Å; W103-V105 PolarHBondContact O-N 3.26Å; W103-T106 PolarHBondContact O-N 3.14Å; W103-Q107 VanDerWaalsContact CD1-CG 3.42Å; W103-Q107 HydrophobicContact CD2-CG 4.16Å; W103-Q107 HydrophobicContact CG-CG 4.14Å; W103-Q107 HydrophobicContact CZ2-CB 4.31Å; W103-Q107 HydrophobicContact CZ2-CG 3.8Å; W103-Q107 WeakPolarHBondContact O-CG 3.45Å; W103-Q107 PolarHBondContact O-N 3.38Å; W103-F108 HydrophobicContact CH2-CE2 4.04Å; W103-F108 HydrophobicContact CZ2-CE2 4.37Å
104L98.7Very high98.1Very high0 Ų045.9 Ų45.90%023%0.232CC..Hα-helixtrans-59.6-50-175.4-174.782.1000111.4V71 P77 E80 L81 I84 Y100 R101 T106 Q107 F108 I110V71-L104 HydrophobicContact CG1-CD1 4.15Å; P77-L104 HydrophobicContact CB-CD1 3.89Å; P77-L104 HydrophobicContact CB-CG 4.42Å; E80-L104 HydrophobicContact CB-CD1 3.83Å; E80-L104 HydrophobicContact CB-CD2 3.5Å; E80-L104 HydrophobicContact CB-CG 4.33Å; E80-L104 HydrophobicContact CG-CD1 4.06Å; L81-L104 HydrophobicContact CD2-CD2 3.72Å; L81-L104 HydrophobicContact CG-CD2 3.99Å; I84-L104 HydrophobicContact CD1-CD2 3.78Å; Y100-L104 VanDerWaalsContact O-CB 3.26Å; Y100-L104 WeakPolarHBondContact O-CB 3.49Å; Y100-L104 PolarHBondContact O-N 2.87Å; R101-L104 PolarHBondContact O-N 3.4Å; R101-L104 VanDerWaalsContact O-N 3.14Å; L104-T106 VanDerWaalsContact C-N 3.28Å; L104-T106 PolarHBondContact O-N 2.85Å; L104-Q107 PolarHBondContact O-N 3.28Å; L104-F108 HydrophobicContact CD1-CD2 3.8Å; L104-F108 HydrophobicContact CD1-CE2 3.91Å; L104-F108 HydrophobicContact CG-CD2 4.32Å; L104-F108 WeakPolarHBondContact O-CD2 3.4Å; L104-F108 PolarHBondContact O-N 3.06Å; L104-I110 HydrophobicContact CD2-CD1 4.15Å; L104-I110 HydrophobicContact CG-CD1 4.18Å
105V98.6Very high98.2Very high0 Ų048 Ų480%024%0.243CC..Hα-helixtrans-64.4-35-178-58.50000112L81 R101 T102 W103 N109 I110 W111 E114 Y134 F137L81-V105 HydrophobicContact CD2-CG1 4.19Å; R101-V105 HydrophobicContact CG-CG1 4.46Å; R101-V105 WeakPolarHBondContact O-CG1 3.48Å; R101-V105 WeakPolarHBondContact O-CG2 3.43Å; R101-V105 PolarHBondContact O-N 3.3Å; T102-V105 WeakPolarHBondContact O-CG2 3.26Å; W103-V105 PolarHBondContact O-N 3.26Å; V105-N109 CarbonylContact O-C 3.41Å; V105-N109 WeakPolarHBondContact O-CA 3.41Å; V105-N109 PolarHBondContact O-N 3.36Å; V105-I110 HydrophobicContact CB-CG1 4.35Å; V105-I110 HydrophobicContact CG1-CG1 4.27Å; V105-I110 WeakPolarHBondContact CG1-O 3.26Å; V105-I110 PolarHBondContact O-N 3.48Å; V105-W111 HydrophobicContact CB-CE3 4.23Å; V105-W111 HydrophobicContact CB-CZ3 4.28Å; V105-W111 HydrophobicContact CG2-CE3 3.95Å; V105-W111 HydrophobicContact CG2-CH2 3.96Å; V105-W111 HydrophobicContact CG2-CZ3 3.54Å; V105-E114 HydrophobicContact CG1-CG 4.02Å; V105-Y134 WeakPolarHBondContact CG1-OH 3.31Å; V105-F137 HydrophobicContact CG2-CE1 4.05Å
106T98.4Very high98.2Very high62 Ų6246.5 Ų46.538%0.3824%0.244SC..Hα-helixtrans-71.6-47.8174.5-60.90000112.6T102 W103 L104 F108 N109 W111 F137T102-T106 WeakPolarHBondContact O-CB 3.41Å; T102-T106 PolarHBondContact O-N 2.94Å; T102-T106 PolarHBondContact O-OG1 2.92Å; T102-T106 VanDerWaalsContact O-OG1 3.06Å; W103-T106 PolarHBondContact O-N 3.14Å; L104-T106 VanDerWaalsContact C-N 3.28Å; L104-T106 PolarHBondContact O-N 2.85Å; T106-F108 VanDerWaalsContact C-N 3.3Å; T106-F108 PolarHBondContact O-N 3.06Å; T106-N109 PolarHBondContact O-N 3.36Å; T106-W111 WeakPolarHBondContact OG1-CH2 3.48Å; T106-F137 WeakPolarHBondContact OG1-CZ 3.15Å
107Q98.2Very high98.2Very high111 Ų11146.6 Ų46.652%0.51924%0.244SC..Hα-helixtrans-64.9-37.1-176.1-70.9-39.1-66.300112.9W103 L104W103-Q107 VanDerWaalsContact CD1-CG 3.42Å; W103-Q107 HydrophobicContact CD2-CG 4.16Å; W103-Q107 HydrophobicContact CG-CG 4.14Å; W103-Q107 HydrophobicContact CZ2-CB 4.31Å; W103-Q107 HydrophobicContact CZ2-CG 3.8Å; W103-Q107 WeakPolarHBondContact O-CG 3.45Å; W103-Q107 PolarHBondContact O-N 3.38Å; L104-Q107 PolarHBondContact O-N 3.28Å
108F98.3Very high98.2Very high49 Ų4946.6 Ų46.622%0.21524%0.244CC..Hα-helixtrans-101.51.8-176.7-66.7-80.2000113.3V71 P77 W103 L104 T106 I110V71-F108 HydrophobicContact CG1-CE2 3.66Å; V71-F108 HydrophobicContact CG1-CZ 3.75Å; P77-F108 HydrophobicContact CB-CB 4.21Å; P77-F108 HydrophobicContact CB-CD1 4.1Å; P77-F108 HydrophobicContact CB-CD2 3.76Å; P77-F108 HydrophobicContact CB-CE1 4.43Å; P77-F108 HydrophobicContact CB-CE2 4.13Å; P77-F108 HydrophobicContact CB-CG 3.74Å; P77-F108 HydrophobicContact CB-CZ 4.44Å; P77-F108 HydrophobicContact CG-CB 3.91Å; P77-F108 HydrophobicContact CG-CD1 3.74Å; P77-F108 HydrophobicContact CG-CD2 4.24Å; P77-F108 HydrophobicContact CG-CE1 4.32Å; P77-F108 HydrophobicContact CG-CG 3.68Å; W103-F108 HydrophobicContact CH2-CE2 4.04Å; W103-F108 HydrophobicContact CZ2-CE2 4.37Å; L104-F108 HydrophobicContact CD1-CD2 3.8Å; L104-F108 HydrophobicContact CD1-CE2 3.91Å; L104-F108 HydrophobicContact CG-CD2 4.32Å; L104-F108 WeakPolarHBondContact O-CD2 3.4Å; L104-F108 PolarHBondContact O-N 3.06Å; T106-F108 VanDerWaalsContact C-N 3.3Å; T106-F108 PolarHBondContact O-N 3.06Å; F108-I110 VanDerWaalsContact C-N 3.25Å; F108-I110 HydrophobicContact CB-CD1 4.22Å; F108-I110 HydrophobicContact CB-CG1 4.1Å; F108-I110 HydrophobicContact CB-CG2 4.23Å; F108-I110 PolarHBondContact O-N 3.39Å
109N97.9Very high98.2Very high121 Ų12149.5 Ų49.565%0.64726%0.258SS*.THydrogen-bonded Turntrans52.342.3-178.7-165.251.7000112.9V105 T106 W111V105-N109 CarbonylContact O-C 3.41Å; V105-N109 WeakPolarHBondContact O-CA 3.41Å; V105-N109 PolarHBondContact O-N 3.36Å; T106-N109 PolarHBondContact O-N 3.36Å; N109-W111 VanDerWaalsContact OD1-CD1 3.24Å; N109-W111 PolarHBondContact OD1-NE1 3.34Å
110I97.9Very high98.2Very high50 Ų5052.5 Ų52.526%0.25627%0.265SS..  trans-105.877.4-176.853.3176.2000110.8P77 L81 L104 V105 F108P77-I110 HydrophobicContact CB-CD1 4.07Å; P77-I110 HydrophobicContact CG-CD1 4.22Å; L81-I110 HydrophobicContact CD1-CD1 4.07Å; L81-I110 HydrophobicContact CG-CD1 4.26Å; L104-I110 HydrophobicContact CD2-CD1 4.15Å; L104-I110 HydrophobicContact CG-CD1 4.18Å; V105-I110 HydrophobicContact CB-CG1 4.35Å; V105-I110 HydrophobicContact CG1-CG1 4.27Å; V105-I110 WeakPolarHBondContact CG1-O 3.26Å; V105-I110 PolarHBondContact O-N 3.48Å; F108-I110 VanDerWaalsContact C-N 3.25Å; F108-I110 HydrophobicContact CB-CD1 4.22Å; F108-I110 HydrophobicContact CB-CG1 4.1Å; F108-I110 HydrophobicContact CB-CG2 4.23Å; F108-I110 PolarHBondContact O-N 3.39Å
111W98.1Very high98.2Very high43 Ų4353 Ų5316%0.16327%0.268CS..  trans-93.8-13.7-175-56.5102.3000114.3V105 T106 N109 G113 E114 F137 I138 T142V105-W111 HydrophobicContact CB-CE3 4.23Å; V105-W111 HydrophobicContact CB-CZ3 4.28Å; V105-W111 HydrophobicContact CG2-CE3 3.95Å; V105-W111 HydrophobicContact CG2-CH2 3.96Å; V105-W111 HydrophobicContact CG2-CZ3 3.54Å; T106-W111 WeakPolarHBondContact OG1-CH2 3.48Å; N109-W111 VanDerWaalsContact OD1-CD1 3.24Å; N109-W111 PolarHBondContact OD1-NE1 3.34Å; W111-G113 PolarHBondContact O-N 3.44Å; W111-E114 WeakPolarHBondContact O-CB 3.46Å; W111-E114 WeakPolarHBondContact O-CG 3.45Å; W111-E114 PolarHBondContact O-N 3.5Å; W111-E114 VanDerWaalsContact O-N 3.13Å; W111-F137 AromaticContact CH2-CE1 3.9Å; W111-F137 HydrophobicContact CH2-CE1 3.9Å; W111-F137 AromaticContact CH2-CZ 3.85Å; W111-F137 HydrophobicContact CH2-CZ 3.85Å; W111-F137 AromaticContact CZ3-CE1 3.74Å; W111-F137 HydrophobicContact CZ3-CE1 3.74Å; W111-F137 HydrophobicContact CZ3-CZ 4.18Å; W111-I138 HydrophobicContact CE3-CG2 4.43Å; W111-T142 HydrophobicContact CB-CG2 4.02Å; W111-T142 HydrophobicContact CD2-CG2 3.45Å; W111-T142 VanDerWaalsContact CD2-CG2 3.45Å; W111-T142 HydrophobicContact CE3-CG2 3.65Å; W111-T142 HydrophobicContact CG-CG2 3.62Å; W111-T142 HydrophobicContact CZ3-CG2 4.27Å
112D96.9Very high98.2Very high158 Ų15852.7 Ų52.785%0.84527%0.267SS*.THydrogen-bonded Turntrans-59.2126.3-175.8-67.4-24.1000111.4E114D112-E114 VanDerWaalsContact C-N 3.26Å; D112-E114 PolarHBondContact O-N 2.9Å
113G97.4Very high98.1Very high35 Ų3553.7 Ų53.736%0.36128%0.275SS..THydrogen-bonded Turntrans76.90.4179.500000115.5W111 D116 Y117W111-G113 PolarHBondContact O-N 3.44Å; G113-D116 PolarHBondContact O-N 3.35Å; G113-Y117 WeakPolarHBondContact O-CB 3.42Å; G113-Y117 PolarHBondContact O-N 2.61Å
114E98.4Very high98Very high6 Ų659 Ų593%0.02831%0.305CS..Hα-helixtrans-71.5-34.6-177.6-68-57.3113.100113.2R101 V105 W111 D112 Y117 S118 Y134 I138R101-E114 IonicContact CZ-OE1 3.58Å; R101-E114 IonicContact CZ-OE2 3.83Å; R101-E114 VanDerWaalsContact CZ-OE2 3.28Å; R101-E114 IonicContact NE-OE1 3.81Å; R101-E114 IonicContact NE-OE2 3.89Å; R101-E114 PolarHBondContact NE-OE2 3.05Å; R101-E114 VanDerWaalsContact NH2-CD 3.26Å; R101-E114 IonicContact NH2-OE1 2.69Å; R101-E114 PolarHBondContact NH2-OE1 3.14Å; R101-E114 IonicContact NH2-OE2 2.68Å; R101-E114 PolarHBondContact NH2-OE2 2.89Å; V105-E114 HydrophobicContact CG1-CG 4.02Å; W111-E114 WeakPolarHBondContact O-CB 3.46Å; W111-E114 WeakPolarHBondContact O-CG 3.45Å; W111-E114 PolarHBondContact O-N 3.5Å; W111-E114 VanDerWaalsContact O-N 3.13Å; D112-E114 VanDerWaalsContact C-N 3.26Å; D112-E114 PolarHBondContact O-N 2.9Å; E114-Y117 PolarHBondContact O-N 3.38Å; E114-S118 PolarHBondContact O-N 3.18Å; E114-Y134 HydrophobicContact CB-CE1 4.46Å; E114-Y134 VanDerWaalsContact OE2-CE1 3.32Å; E114-Y134 WeakPolarHBondContact OE2-CE1 3.34Å; E114-Y134 VanDerWaalsContact OE2-CZ 3.31Å; E114-Y134 PolarHBondContact OE2-OH 3.23Å; E114-I138 HydrophobicContact CB-CD1 3.75Å; E114-I138 HydrophobicContact CB-CG1 4.16Å; E114-I138 WeakPolarHBondContact O-CD1 3.25Å
115L98Very high97.9Very high49 Ų4961.1 Ų61.126%0.25732%0.317SS..Hα-helixtrans-63.7-46.2171.6-75.4176.6000111.2Y117 S118 E119 R135 I138 I139L115-Y117 VanDerWaalsContact C-N 3.28Å; L115-Y117 PolarHBondContact O-N 3.1Å; L115-S118 PolarHBondContact O-N 3.32Å; L115-S118 PolarHBondContact O-OG 3.28Å; L115-E119 WeakPolarHBondContact O-CB 3.35Å; L115-E119 PolarHBondContact O-N 3.38Å; L115-R135 HydrophobicContact CD2-CG 4.12Å; L115-R135 PolarHBondContact O-NH1 3.14Å; L115-I138 HydrophobicContact CD2-CB 4.05Å; L115-I138 HydrophobicContact CD2-CD1 4.27Å; L115-I138 HydrophobicContact CD2-CG2 3.73Å; L115-I138 HydrophobicContact CG-CG2 3.82Å; L115-I139 HydrophobicContact CD1-CD1 3.95Å; L115-I139 HydrophobicContact CD2-CD1 3.75Å; L115-I139 HydrophobicContact CD2-CG1 4.07Å; L115-I139 HydrophobicContact CG-CD1 4.48Å
116D98.1Very high97.8Very high101 Ų10161.9 Ų61.954%0.5432%0.321SS..Hα-helixtrans-63-37176.6-61.3-23.4000111.3G113 E119 R120G113-D116 PolarHBondContact O-N 3.35Å; D116-E119 PolarHBondContact O-N 3.22Å; D116-R120 WeakPolarHBondContact O-CG 3.37Å; D116-R120 PolarHBondContact O-N 3.25Å
117Y98.4Very high97.7Very high16 Ų1665.3 Ų65.36%0.06333%0.327CS..Hα-helixtrans-63-48.4173.1-177.9-100.3000111.7C85 L88 W98 G113 E114 L115 E119 R120 M121 Y134C85-Y117 VanDerWaalsContact SG-CE2 3.51Å; L88-Y117 HydrophobicContact CD1-CE1 4.26Å; L88-Y117 WeakPolarHBondContact CD1-OH 2.99Å; W98-Y117 AromaticContact CH2-CE1 3.88Å; W98-Y117 HydrophobicContact CH2-CE1 3.88Å; W98-Y117 HydrophobicContact CZ3-CE1 4.09Å; G113-Y117 WeakPolarHBondContact O-CB 3.42Å; G113-Y117 PolarHBondContact O-N 2.61Å; E114-Y117 PolarHBondContact O-N 3.38Å; L115-Y117 VanDerWaalsContact C-N 3.28Å; L115-Y117 PolarHBondContact O-N 3.1Å; Y117-E119 VanDerWaalsContact C-N 3.27Å; Y117-E119 PolarHBondContact O-N 3.11Å; Y117-R120 PolarHBondContact O-N 3.1Å; Y117-M121 HydrophobicContact CD1-CG 4.26Å; Y117-M121 HydrophobicContact CE1-CG 3.82Å; Y117-M121 HydrophobicContact CE2-CG 4.32Å; Y117-M121 HydrophobicContact CE2-SD 4.37Å; Y117-M121 WeakPolarHBondContact O-CG 3.1Å; Y117-M121 PolarHBondContact O-N 2.91Å; Y117-Y134 HydrophobicContact CD1-CE1 4.46Å
118S98.3Very high97.7Very high0 Ų060 Ų600%030%0.303CS..Hα-helixtrans-58.8-40.517777.40000111.8E114 L115 M121 I122 R135E114-S118 PolarHBondContact O-N 3.18Å; L115-S118 PolarHBondContact O-N 3.32Å; L115-S118 PolarHBondContact O-OG 3.28Å; S118-M121 PolarHBondContact O-N 3.35Å; S118-I122 VanDerWaalsContact O-CG1 3.32Å; S118-I122 WeakPolarHBondContact O-CG1 3.44Å; S118-I122 PolarHBondContact O-N 2.52Å; S118-R135 WeakPolarHBondContact OG-CG 3.42Å; S118-R135 PolarHBondContact OG-NH1 3.12Å
119E98.1Very high97.7Very high73 Ų7361.2 Ų61.234%0.34131%0.311SS..Hα-helixtrans-63.9-47.6177.3-179.9163.5174.400111.5L115 D116 Y117 M121 I122 C123 R135 F156L115-E119 WeakPolarHBondContact O-CB 3.35Å; L115-E119 PolarHBondContact O-N 3.38Å; D116-E119 PolarHBondContact O-N 3.22Å; Y117-E119 VanDerWaalsContact C-N 3.27Å; Y117-E119 PolarHBondContact O-N 3.11Å; E119-M121 VanDerWaalsContact C-N 3.26Å; E119-M121 PolarHBondContact O-N 2.76Å; E119-I122 PolarHBondContact O-N 3.03Å; E119-I122 VanDerWaalsContact O-N 3.13Å; E119-C123 WeakPolarHBondContact O-CB 3.09Å; E119-C123 PolarHBondContact O-N 2.73Å; E119-C123 PolarHBondContact O-SG 2.75Å; E119-R135 IonicContact OE2-NH1 3.92Å; E119-F156 HydrophobicContact CB-CE2 4.49Å; E119-F156 HydrophobicContact CB-CZ 4.47Å; E119-F156 HydrophobicContact CG-CE2 3.78Å; E119-F156 HydrophobicContact CG-CZ 4.1Å
120R98.1Very high97.7Very high148 Ų14856.4 Ų56.456%0.55829%0.287SS*.Hα-helixtrans-57.2-40.3174.4-73-176.6-62-150.2-2.8112.4D116 Y117 C123 N124D116-R120 WeakPolarHBondContact O-CG 3.37Å; D116-R120 PolarHBondContact O-N 3.25Å; Y117-R120 PolarHBondContact O-N 3.1Å; R120-C123 PolarHBondContact O-N 2.66Å; R120-N124 WeakPolarHBondContact O-CB 3.24Å; R120-N124 PolarHBondContact O-N 2.88Å; R120-N124 PolarHBondContact O-ND2 3.07Å
121M98.2Very high97.7Very high20 Ų2054 Ų5410%0.09928%0.275CS..Hα-helixtrans-67.1-39178.1-66.5-60.2-71.400112L88 W98 Y117 S118 E119 N124 D125 A131L88-M121 HydrophobicContact CB-CE 4.33Å; W98-M121 HydrophobicContact CH2-CB 4.42Å; W98-M121 HydrophobicContact CH2-CG 4.1Å; W98-M121 HydrophobicContact CZ2-CE 4.02Å; W98-M121 HydrophobicContact CZ2-CG 4.38Å; Y117-M121 HydrophobicContact CD1-CG 4.26Å; Y117-M121 HydrophobicContact CE1-CG 3.82Å; Y117-M121 HydrophobicContact CE2-CG 4.32Å; Y117-M121 HydrophobicContact CE2-SD 4.37Å; Y117-M121 WeakPolarHBondContact O-CG 3.1Å; Y117-M121 PolarHBondContact O-N 2.91Å; S118-M121 PolarHBondContact O-N 3.35Å; E119-M121 VanDerWaalsContact C-N 3.26Å; E119-M121 PolarHBondContact O-N 2.76Å; M121-N124 PolarHBondContact O-N 3.37Å; M121-D125 PolarHBondContact O-N 3.34Å; M121-A131 HydrophobicContact CB-CB 3.66Å
122I98.1Very high97.7Very high0 Ų052.1 Ų52.10%027%0.268CS..Hα-helixtrans-67.5-41.5173.8-68.3165.7000111S118 E119 N124 D125 V126 A131 W132 R135 F156 W160S118-I122 VanDerWaalsContact O-CG1 3.32Å; S118-I122 WeakPolarHBondContact O-CG1 3.44Å; S118-I122 PolarHBondContact O-N 2.52Å; E119-I122 PolarHBondContact O-N 3.03Å; E119-I122 VanDerWaalsContact O-N 3.13Å; I122-N124 VanDerWaalsContact C-N 3.29Å; I122-N124 PolarHBondContact O-N 3.48Å; I122-D125 CarbonylContact O-C 3.57Å; I122-D125 PolarHBondContact O-N 3.4Å; I122-V126 HydrophobicContact CG2-CG2 4.38Å; I122-V126 WeakPolarHBondContact O-CA 3.48Å; I122-V126 PolarHBondContact O-N 3.04Å; I122-A131 HydrophobicContact CG1-CB 3.8Å; I122-W132 HydrophobicContact CD1-CD2 3.78Å; I122-W132 HydrophobicContact CD1-CE3 3.82Å; I122-W132 HydrophobicContact CD1-CG 4.24Å; I122-W132 HydrophobicContact CD1-CH2 4.48Å; I122-W132 HydrophobicContact CD1-CZ2 4.41Å; I122-W132 HydrophobicContact CD1-CZ3 4.19Å; I122-W132 HydrophobicContact CG1-CD2 4.13Å; I122-W132 HydrophobicContact CG1-CG 4.32Å; I122-W132 HydrophobicContact CG2-CH2 4.04Å; I122-W132 HydrophobicContact CG2-CZ2 3.45Å; I122-W132 VanDerWaalsContact CG2-CZ2 3.45Å; I122-R135 HydrophobicContact CD1-CB 4.44Å; I122-F156 HydrophobicContact CD1-CE1 3.97Å; I122-F156 HydrophobicContact CD1-CZ 4.18Å; I122-F156 HydrophobicContact CG2-CZ 4.3Å; I122-W160 HydrophobicContact CG2-CD2 4.26Å; I122-W160 HydrophobicContact CG2-CG 4.41Å; I122-W160 HydrophobicContact CG2-CZ2 4.39Å
123C97Very high97.8Very high62 Ų6249.5 Ų49.542%0.41925%0.254SS..Hα-helixtrans-60.1-40.6175.9-69.50000112E119 R120 W160E119-C123 WeakPolarHBondContact O-CB 3.09Å; E119-C123 PolarHBondContact O-N 2.73Å; E119-C123 PolarHBondContact O-SG 2.75Å; R120-C123 PolarHBondContact O-N 2.66Å; C123-W160 HydrophobicContact CB-CH2 4.15Å; C123-W160 HydrophobicContact CB-CZ2 4.31Å; C123-W160 WeakPolarHBondContact SG-CZ2 3.21Å
124N96.6Very high97.8Very high135 Ų13548.1 Ų48.172%0.72224%0.238SC*.Hα-helixtrans-72.2-40.3-179.9-70.4-17.7000112.7R120 M121 I122R120-N124 WeakPolarHBondContact O-CB 3.24Å; R120-N124 PolarHBondContact O-N 2.88Å; R120-N124 PolarHBondContact O-ND2 3.07Å; M121-N124 PolarHBondContact O-N 3.37Å; I122-N124 VanDerWaalsContact C-N 3.29Å; I122-N124 PolarHBondContact O-N 3.48Å
125D96.9Very high97.8Very high45 Ų4548 Ų4824%0.24124%0.237CC..  trans-141.799.4171.2174.817000109.8K93 M121 I122 R127 N128K93-D125 WeakPolarHBondContact CE-OD2 3.16Å; K93-D125 IonicContact NZ-OD2 2.72Å; K93-D125 PolarHBondContact NZ-OD2 3.16Å; M121-D125 PolarHBondContact O-N 3.34Å; I122-D125 CarbonylContact O-C 3.57Å; I122-D125 PolarHBondContact O-N 3.4Å; D125-R127 PolarHBondContact O-N 3.41Å; D125-R127 VanDerWaalsContact O-N 3.1Å; D125-R127 WeakPolarHBondContact OD1-CA 3.32Å; D125-R127 WeakPolarHBondContact OD1-CB 3.36Å; D125-R127 PolarHBondContact OD1-N 3.44Å; D125-N128 HydrophobicContact CB-CB 4.02Å; D125-N128 WeakPolarHBondContact O-CB 3.45Å; D125-N128 PolarHBondContact O-N 2.9Å; D125-N128 PolarHBondContact OD2-N 3.2Å
126V96.8Very high97.8Very high16 Ų1648.9 Ų48.910%0.09724%0.237CC..THydrogen-bonded Turntrans-62.8-21.2179.974.40000112.1I122 N128 W132 W160 V164 N167I122-V126 HydrophobicContact CG2-CG2 4.38Å; I122-V126 WeakPolarHBondContact O-CA 3.48Å; I122-V126 PolarHBondContact O-N 3.04Å; V126-N128 VanDerWaalsContact C-N 3.29Å; V126-W132 HydrophobicContact CG2-CZ2 4.13Å; V126-W132 PolarHBondContact O-NE1 3.23Å; V126-W160 HydrophobicContact CB-CE3 4.05Å; V126-W160 HydrophobicContact CB-CZ3 4.45Å; V126-W160 HydrophobicContact CG2-CB 3.78Å; V126-W160 HydrophobicContact CG2-CD2 3.7Å; V126-W160 HydrophobicContact CG2-CE3 3.4Å; V126-W160 VanDerWaalsContact CG2-CE3 3.4Å; V126-W160 HydrophobicContact CG2-CG 3.88Å; V126-W160 HydrophobicContact CG2-CZ3 4.25Å; V126-V164 HydrophobicContact CG1-CB 4.31Å; V126-V164 HydrophobicContact CG1-CG2 3.86Å; V126-N167 PolarHBondContact O-ND2 3.27Å
127R96.9Very high97.8Very high133 Ų13346.3 Ų46.350%0.50222%0.222SC..THydrogen-bonded Turntrans-90.111.6175.3-63.1-178173.281.9-4.1112.6K93 D125 N129 V164K93-R127 PolarHBondContact NZ-O 3.06Å; D125-R127 PolarHBondContact O-N 3.41Å; D125-R127 VanDerWaalsContact O-N 3.1Å; D125-R127 WeakPolarHBondContact OD1-CA 3.32Å; D125-R127 WeakPolarHBondContact OD1-CB 3.36Å; D125-R127 PolarHBondContact OD1-N 3.44Å; R127-N129 PolarHBondContact O-N 3.37Å; R127-V164 VanDerWaalsContact NH2-CG1 3.25Å
128N97.4Very high97.8Very high1 Ų145.7 Ų45.71%0.00522%0.219CC..  trans-77.688.2176.1-171-21.4000111S92 D125 V126 S130 A131 W132S92-N128 PolarHBondContact O-ND2 3.35Å; D125-N128 HydrophobicContact CB-CB 4.02Å; D125-N128 WeakPolarHBondContact O-CB 3.45Å; D125-N128 PolarHBondContact O-N 2.9Å; D125-N128 PolarHBondContact OD2-N 3.2Å; V126-N128 VanDerWaalsContact C-N 3.29Å; N128-S130 PolarHBondContact O-N 3.27Å; N128-S130 VanDerWaalsContact O-N 3.13Å; N128-S130 WeakPolarHBondContact OD1-CB 3.47Å; N128-S130 PolarHBondContact OD1-N 2.91Å; N128-A131 HydrophobicContact CB-CB 4.09Å; N128-A131 PolarHBondContact O-N 3.12Å; N128-A131 VanDerWaalsContact O-N 3.1Å; N128-A131 PolarHBondContact OD1-N 2.99Å; N128-A131 VanDerWaalsContact OD1-N 3.16Å; N128-W132 PolarHBondContact O-N 2.92Å
129N97.5Very high97.8Very high74 Ų7445.8 Ų45.840%0.39622%0.22SC..Hα-helixtrans-54.6-32.717883.474.1000113R127 A131 W132 N133 S169R127-N129 PolarHBondContact O-N 3.37Å; N129-A131 VanDerWaalsContact C-N 3.34Å; N129-W132 PolarHBondContact O-N 3.31Å; N129-N133 WeakPolarHBondContact O-CB 3.32Å; N129-N133 PolarHBondContact O-N 3.08Å; N129-N133 PolarHBondContact O-ND2 2.85Å; N129-N133 PolarHBondContact OD1-ND2 3.22Å; N129-S169 WeakPolarHBondContact CA-OG 3.43Å; N129-S169 WeakPolarHBondContact CB-OG 3.39Å; N129-S169 PolarHBondContact N-OG 3.06Å
130S98.4Very high97.7Very high20 Ų2046.7 Ų46.714%0.1423%0.227CC..Hα-helixtrans-67.4-39-178.3-52.10000110.9N128 Y134N128-S130 PolarHBondContact O-N 3.27Å; N128-S130 VanDerWaalsContact O-N 3.13Å; N128-S130 WeakPolarHBondContact OD1-CB 3.47Å; N128-S130 PolarHBondContact OD1-N 2.91Å; S130-Y134 VanDerWaalsContact O-CB 3.25Å; S130-Y134 WeakPolarHBondContact O-CB 3.38Å; S130-Y134 PolarHBondContact O-N 3.28Å
131A98.5Very high97.7Very high0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-66.9-41.6175.400000112.3W98 M121 I122 N128 N129 Y134 R135W98-A131 HydrophobicContact CH2-CB 4.25Å; W98-A131 HydrophobicContact CZ2-CB 4.18Å; M121-A131 HydrophobicContact CB-CB 3.66Å; I122-A131 HydrophobicContact CG1-CB 3.8Å; N128-A131 HydrophobicContact CB-CB 4.09Å; N128-A131 PolarHBondContact O-N 3.12Å; N128-A131 VanDerWaalsContact O-N 3.1Å; N128-A131 PolarHBondContact OD1-N 2.99Å; N128-A131 VanDerWaalsContact OD1-N 3.16Å; N129-A131 VanDerWaalsContact C-N 3.34Å; A131-Y134 PolarHBondContact O-N 3.49Å; A131-R135 PolarHBondContact O-N 3.44Å
132W98.3Very high97.6Very high3 Ų343.9 Ų43.91%0.01123%0.229CC..Hα-helixtrans-62.1-47.9174.1-72.9103.1000112.3I122 V126 N128 N129 Y134 R135 Y136 F156 C157 W160 S169 A170 Y173I122-W132 HydrophobicContact CD1-CD2 3.78Å; I122-W132 HydrophobicContact CD1-CE3 3.82Å; I122-W132 HydrophobicContact CD1-CG 4.24Å; I122-W132 HydrophobicContact CD1-CH2 4.48Å; I122-W132 HydrophobicContact CD1-CZ2 4.41Å; I122-W132 HydrophobicContact CD1-CZ3 4.19Å; I122-W132 HydrophobicContact CG1-CD2 4.13Å; I122-W132 HydrophobicContact CG1-CG 4.32Å; I122-W132 HydrophobicContact CG2-CH2 4.04Å; I122-W132 HydrophobicContact CG2-CZ2 3.45Å; I122-W132 VanDerWaalsContact CG2-CZ2 3.45Å; V126-W132 HydrophobicContact CG2-CZ2 4.13Å; V126-W132 PolarHBondContact O-NE1 3.23Å; N128-W132 PolarHBondContact O-N 2.92Å; N129-W132 PolarHBondContact O-N 3.31Å; W132-Y134 VanDerWaalsContact C-N 3.29Å; W132-Y134 PolarHBondContact O-N 3.31Å; W132-R135 PolarHBondContact O-N 2.75Å; W132-Y136 PolarHBondContact O-N 2.99Å; W132-F156 HydrophobicContact CH2-CD1 4.34Å; W132-F156 AromaticContact CH2-CE1 3.89Å; W132-F156 HydrophobicContact CH2-CE1 3.89Å; W132-F156 HydrophobicContact CZ3-CD1 4.07Å; W132-F156 AromaticContact CZ3-CE1 3.75Å; W132-F156 HydrophobicContact CZ3-CE1 3.75Å; W132-C157 HydrophobicContact CZ3-CB 4.43Å; W132-W160 HydrophobicContact CH2-CB 4.05Å; W132-W160 AromaticContact CH2-CD1 3.62Å; W132-W160 HydrophobicContact CH2-CG 4.01Å; W132-W160 HydrophobicContact CZ2-CB 4.06Å; W132-W160 HydrophobicContact CZ2-CG 4.06Å; W132-S169 VanDerWaalsContact CD1-CB 3.41Å; W132-A170 HydrophobicContact CH2-CB 4.06Å; W132-A170 HydrophobicContact CZ2-CB 3.8Å; W132-Y173 HydrophobicContact CB-CD2 4.37Å; W132-Y173 HydrophobicContact CD2-CG 4.44Å; W132-Y173 AromaticContact CE3-CD1 3.65Å; W132-Y173 HydrophobicContact CE3-CD1 3.65Å; W132-Y173 AromaticContact CE3-CD2 3.79Å; W132-Y173 HydrophobicContact CE3-CD2 3.79Å; W132-Y173 HydrophobicContact CE3-CE1 4.15Å; W132-Y173 HydrophobicContact CE3-CE2 4.28Å; W132-Y173 AromaticContact CE3-CG 3.44Å; W132-Y173 HydrophobicContact CE3-CG 3.44Å; W132-Y173 VanDerWaalsContact CE3-CG 3.44Å; W132-Y173 AromaticContact CZ3-CD1 3.62Å; W132-Y173 HydrophobicContact CZ3-CD1 3.62Å; W132-Y173 AromaticContact CZ3-CE1 4Å; W132-Y173 HydrophobicContact CZ3-CE1 4Å; W132-Y173 AromaticContact CZ3-CG 3.92Å; W132-Y173 HydrophobicContact CZ3-CG 3.92Å; W132-Y173 WeakPolarHBondContact O-CD2 3.5Å
133N98Very high97.4Very high103 Ų10347.1 Ų47.155%0.55125%0.249SC*.Hα-helixtrans-60.6-40.4175.9-78.9-50.3000111.4N129 Y136 F137N129-N133 WeakPolarHBondContact O-CB 3.32Å; N129-N133 PolarHBondContact O-N 3.08Å; N129-N133 PolarHBondContact O-ND2 2.85Å; N129-N133 PolarHBondContact OD1-ND2 3.22Å; N133-Y136 PolarHBondContact O-N 3.43Å; N133-F137 WeakPolarHBondContact O-CB 3.22Å; N133-F137 PolarHBondContact O-N 3.11Å
134Y98.6Very high97.3Very high5 Ų545.1 Ų45.12%0.0224%0.239CC..Hα-helixtrans-64.9-42.9177.1-172.3-114.6000112.3W98 R101 V105 E114 Y117 S130 A131 W132 Y136 F137 I138W98-Y134 HydrophobicContact CE3-CD1 4.17Å; W98-Y134 AromaticContact CE3-CD2 3.97Å; W98-Y134 HydrophobicContact CE3-CD2 3.97Å; W98-Y134 AromaticContact CE3-CG 3.72Å; W98-Y134 HydrophobicContact CE3-CG 3.72Å; W98-Y134 HydrophobicContact CH2-CD1 4.28Å; W98-Y134 HydrophobicContact CH2-CG 4.43Å; W98-Y134 AromaticContact CZ3-CD1 3.41Å; W98-Y134 HydrophobicContact CZ3-CD1 3.41Å; W98-Y134 VanDerWaalsContact CZ3-CD1 3.41Å; W98-Y134 HydrophobicContact CZ3-CD2 4.06Å; W98-Y134 HydrophobicContact CZ3-CE1 4.04Å; W98-Y134 AromaticContact CZ3-CG 3.4Å; W98-Y134 HydrophobicContact CZ3-CG 3.4Å; W98-Y134 VanDerWaalsContact CZ3-CG 3.4Å; R101-Y134 HydrophobicContact CG-CE2 4.35Å; V105-Y134 WeakPolarHBondContact CG1-OH 3.31Å; E114-Y134 HydrophobicContact CB-CE1 4.46Å; E114-Y134 VanDerWaalsContact OE2-CE1 3.32Å; E114-Y134 WeakPolarHBondContact OE2-CE1 3.34Å; E114-Y134 VanDerWaalsContact OE2-CZ 3.31Å; E114-Y134 PolarHBondContact OE2-OH 3.23Å; Y117-Y134 HydrophobicContact CD1-CE1 4.46Å; S130-Y134 VanDerWaalsContact O-CB 3.25Å; S130-Y134 WeakPolarHBondContact O-CB 3.38Å; S130-Y134 PolarHBondContact O-N 3.28Å; A131-Y134 PolarHBondContact O-N 3.49Å; W132-Y134 VanDerWaalsContact C-N 3.29Å; W132-Y134 PolarHBondContact O-N 3.31Å; Y134-Y136 VanDerWaalsContact C-N 3.33Å; Y134-Y136 PolarHBondContact O-N 3.06Å; Y134-F137 AromaticContact CD2-CD1 3.97Å; Y134-F137 HydrophobicContact CD2-CD1 3.97Å; Y134-F137 AromaticContact CE2-CD1 3.89Å; Y134-F137 HydrophobicContact CE2-CD1 3.89Å; Y134-F137 HydrophobicContact CE2-CE1 4.19Å; Y134-F137 WeakPolarHBondContact O-CB 3.38Å; Y134-F137 PolarHBondContact O-N 3.45Å; Y134-I138 HydrophobicContact CD1-CD1 3.58Å; Y134-I138 HydrophobicContact CD1-CG1 4.27Å; Y134-I138 HydrophobicContact CE1-CD1 3.44Å; Y134-I138 VanDerWaalsContact CE1-CD1 3.44Å; Y134-I138 HydrophobicContact CE1-CG1 4.01Å; Y134-I138 HydrophobicContact CE2-CG1 4.49Å; Y134-I138 HydrophobicContact CG-CD1 4.35Å; Y134-I138 VanDerWaalsContact O-CG1 3.32Å; Y134-I138 WeakPolarHBondContact O-CG1 3.31Å; Y134-I138 PolarHBondContact O-N 2.83Å
135R98.3Very high97.1Very high5 Ų540.4 Ų40.42%0.01921%0.212CC..Hα-helixtrans-57.8-46.1174.2-170.5175.817992.40.3111.7L115 S118 E119 I122 A131 W132 F137 I138 I139 E153 Y173L115-R135 HydrophobicContact CD2-CG 4.12Å; L115-R135 PolarHBondContact O-NH1 3.14Å; S118-R135 WeakPolarHBondContact OG-CG 3.42Å; S118-R135 PolarHBondContact OG-NH1 3.12Å; E119-R135 IonicContact OE2-NH1 3.92Å; I122-R135 HydrophobicContact CD1-CB 4.44Å; A131-R135 PolarHBondContact O-N 3.44Å; W132-R135 PolarHBondContact O-N 2.75Å; R135-F137 VanDerWaalsContact C-N 3.33Å; R135-F137 PolarHBondContact O-N 3.03Å; R135-I138 PolarHBondContact O-N 3.44Å; R135-I139 PolarHBondContact O-N 3.3Å; R135-I139 VanDerWaalsContact O-N 3.16Å; R135-E153 IonicContact CZ-OE1 3.72Å; R135-E153 IonicContact CZ-OE2 3.21Å; R135-E153 IonicContact NE-OE1 3.84Å; R135-E153 IonicContact NE-OE2 2.8Å; R135-E153 PolarHBondContact NE-OE2 2.94Å; R135-E153 VanDerWaalsContact NH2-CD 3.27Å; R135-E153 IonicContact NH2-OE1 2.82Å; R135-E153 PolarHBondContact NH2-OE1 2.91Å; R135-E153 IonicContact NH2-OE2 2.9Å; R135-E153 PolarHBondContact NH2-OE2 2.86Å; R135-Y173 HydrophobicContact CB-CE2 4.12Å; R135-Y173 HydrophobicContact CG-CE2 4.25Å
136Y97.9Very high96.9Very high67 Ų6742.6 Ų42.626%0.26322%0.223SC..Hα-helixtrans-60.9-45176.6-174.2-88.3000111.1W132 N133 Y134 I138 I139 N140 F145 Y173 Y177W132-Y136 PolarHBondContact O-N 2.99Å; N133-Y136 PolarHBondContact O-N 3.43Å; Y134-Y136 VanDerWaalsContact C-N 3.33Å; Y134-Y136 PolarHBondContact O-N 3.06Å; Y136-I138 PolarHBondContact O-N 2.79Å; Y136-I139 PolarHBondContact O-N 3.4Å; Y136-N140 WeakPolarHBondContact O-CB 3.24Å; Y136-N140 PolarHBondContact O-N 3.47Å; Y136-F145 HydrophobicContact CD2-CE1 4.21Å; Y136-F145 HydrophobicContact CD2-CZ 4.41Å; Y136-F145 AromaticContact CE1-CZ 3.82Å; Y136-F145 HydrophobicContact CE1-CZ 3.82Å; Y136-F145 AromaticContact CE2-CE1 3.61Å; Y136-F145 HydrophobicContact CE2-CE1 3.61Å; Y136-F145 AromaticContact CE2-CZ 3.68Å; Y136-F145 HydrophobicContact CE2-CZ 3.68Å; Y136-F145 AromaticContact CZ-CE1 3.81Å; Y136-F145 AromaticContact CZ-CZ 3.34Å; Y136-F145 VanDerWaalsContact OH-CZ 3.31Å; Y136-F145 WeakPolarHBondContact OH-CZ 3.35Å; Y136-Y173 HydrophobicContact CD2-CD2 4.47Å; Y136-Y173 HydrophobicContact CD2-CE2 4.35Å; Y136-Y177 HydrophobicContact CD2-CD2 4.38Å; Y136-Y177 AromaticContact CD2-CE2 3.71Å; Y136-Y177 HydrophobicContact CD2-CE2 3.71Å; Y136-Y177 HydrophobicContact CE2-CD2 4.47Å; Y136-Y177 HydrophobicContact CE2-CE2 4.13Å
137F98.1Very high96.6Very high47 Ų4747.2 Ų47.221%0.20624%0.244CC..Hα-helixtrans-58-43.5176.3164.1-98.5000112.8T102 V105 T106 W111 N133 Y134 R135 N140 S141T102-F137 HydrophobicContact CG2-CD1 4.02Å; T102-F137 HydrophobicContact CG2-CD2 4.04Å; T102-F137 HydrophobicContact CG2-CE1 3.54Å; T102-F137 HydrophobicContact CG2-CE2 3.56Å; T102-F137 HydrophobicContact CG2-CG 4.24Å; T102-F137 HydrophobicContact CG2-CZ 3.29Å; V105-F137 HydrophobicContact CG2-CE1 4.05Å; T106-F137 WeakPolarHBondContact OG1-CZ 3.15Å; W111-F137 AromaticContact CH2-CE1 3.9Å; W111-F137 HydrophobicContact CH2-CE1 3.9Å; W111-F137 AromaticContact CH2-CZ 3.85Å; W111-F137 HydrophobicContact CH2-CZ 3.85Å; W111-F137 AromaticContact CZ3-CE1 3.74Å; W111-F137 HydrophobicContact CZ3-CE1 3.74Å; W111-F137 HydrophobicContact CZ3-CZ 4.18Å; N133-F137 WeakPolarHBondContact O-CB 3.22Å; N133-F137 PolarHBondContact O-N 3.11Å; Y134-F137 AromaticContact CD2-CD1 3.97Å; Y134-F137 HydrophobicContact CD2-CD1 3.97Å; Y134-F137 AromaticContact CE2-CD1 3.89Å; Y134-F137 HydrophobicContact CE2-CD1 3.89Å; Y134-F137 HydrophobicContact CE2-CE1 4.19Å; Y134-F137 WeakPolarHBondContact O-CB 3.38Å; Y134-F137 PolarHBondContact O-N 3.45Å; R135-F137 VanDerWaalsContact C-N 3.33Å; R135-F137 PolarHBondContact O-N 3.03Å; F137-N140 PolarHBondContact O-N 3.01Å; F137-S141 VanDerWaalsContact CE2-OG 3.26Å; F137-S141 WeakPolarHBondContact CE2-OG 3.45Å; F137-S141 VanDerWaalsContact O-CB 3.31Å; F137-S141 WeakPolarHBondContact O-CB 3.15Å; F137-S141 PolarHBondContact O-N 3.2Å; F137-S141 PolarHBondContact O-OG 3.28Å
138I98.5Very high96.5Very high2 Ų244.7 Ų44.71%0.0125%0.246CC..Hα-helixtrans-60.3-51177.2-65.4155.8000110W111 E114 L115 Y134 R135 Y136 N140 S141 T142W111-I138 HydrophobicContact CE3-CG2 4.43Å; E114-I138 HydrophobicContact CB-CD1 3.75Å; E114-I138 HydrophobicContact CB-CG1 4.16Å; E114-I138 WeakPolarHBondContact O-CD1 3.25Å; L115-I138 HydrophobicContact CD2-CB 4.05Å; L115-I138 HydrophobicContact CD2-CD1 4.27Å; L115-I138 HydrophobicContact CD2-CG2 3.73Å; L115-I138 HydrophobicContact CG-CG2 3.82Å; Y134-I138 HydrophobicContact CD1-CD1 3.58Å; Y134-I138 HydrophobicContact CD1-CG1 4.27Å; Y134-I138 HydrophobicContact CE1-CD1 3.44Å; Y134-I138 VanDerWaalsContact CE1-CD1 3.44Å; Y134-I138 HydrophobicContact CE1-CG1 4.01Å; Y134-I138 HydrophobicContact CE2-CG1 4.49Å; Y134-I138 HydrophobicContact CG-CD1 4.35Å; Y134-I138 VanDerWaalsContact O-CG1 3.32Å; Y134-I138 WeakPolarHBondContact O-CG1 3.31Å; Y134-I138 PolarHBondContact O-N 2.83Å; R135-I138 PolarHBondContact O-N 3.44Å; Y136-I138 PolarHBondContact O-N 2.79Å; I138-N140 PolarHBondContact O-N 2.96Å; I138-S141 PolarHBondContact O-N 3.29Å; I138-S141 VanDerWaalsContact O-N 3.11Å; I138-T142 HydrophobicContact CG2-CG2 4.32Å; I138-T142 WeakPolarHBondContact O-CB 3.32Å; I138-T142 WeakPolarHBondContact O-CG2 3.43Å; I138-T142 PolarHBondContact O-N 3.27Å; I138-T142 PolarHBondContact O-OG1 3.36Å
139I97.7Very high96.4Very high3 Ų345.7 Ų45.72%0.01525%0.252CS..Hα-helixtrans-59.1-47.8-179.8-66-61.5000110.7L115 R135 Y136 S141 T142 T143 G144 F145 V149 E153 Y177L115-I139 HydrophobicContact CD1-CD1 3.95Å; L115-I139 HydrophobicContact CD2-CD1 3.75Å; L115-I139 HydrophobicContact CD2-CG1 4.07Å; L115-I139 HydrophobicContact CG-CD1 4.48Å; R135-I139 PolarHBondContact O-N 3.3Å; R135-I139 VanDerWaalsContact O-N 3.16Å; Y136-I139 PolarHBondContact O-N 3.4Å; I139-S141 PolarHBondContact O-N 3.04Å; I139-T142 PolarHBondContact O-N 2.98Å; I139-T143 PolarHBondContact O-N 3.41Å; I139-G144 WeakPolarHBondContact CG2-O 3.37Å; I139-G144 WeakPolarHBondContact O-CA 3.47Å; I139-G144 PolarHBondContact O-N 3.13Å; I139-F145 HydrophobicContact CG2-CD1 3.95Å; I139-F145 HydrophobicContact CG2-CE1 3.9Å; I139-V149 HydrophobicContact CD1-CG1 4.01Å; I139-V149 HydrophobicContact CG2-CG1 3.77Å; I139-E153 HydrophobicContact CG1-CG 4.42Å; I139-Y177 HydrophobicContact CG2-CE1 4.49Å
140N96.2Very high96.2Very high92 Ų9242.1 Ų42.149%0.49223%0.233SC..Hα-helixtrans-59.9-31.2177.8-175.464.9000113.3Y136 F137 I138 F145Y136-N140 WeakPolarHBondContact O-CB 3.24Å; Y136-N140 PolarHBondContact O-N 3.47Å; F137-N140 PolarHBondContact O-N 3.01Å; I138-N140 PolarHBondContact O-N 2.96Å; N140-F145 HydrophobicContact CB-CE2 4.07Å; N140-F145 HydrophobicContact CB-CZ 3.81Å; N140-F145 VanDerWaalsContact OD1-CE2 3.24Å; N140-F145 WeakPolarHBondContact OD1-CE2 3.5Å
141S97.2Very high95.9Very high48 Ų4844.5 Ų44.534%0.33624%0.244SC..Hα-helixtrans-94.2-9.4-176.1-51.30000114F137 I138 I139F137-S141 VanDerWaalsContact CE2-OG 3.26Å; F137-S141 WeakPolarHBondContact CE2-OG 3.45Å; F137-S141 VanDerWaalsContact O-CB 3.31Å; F137-S141 WeakPolarHBondContact O-CB 3.15Å; F137-S141 PolarHBondContact O-N 3.2Å; F137-S141 PolarHBondContact O-OG 3.28Å; I138-S141 PolarHBondContact O-N 3.29Å; I138-S141 VanDerWaalsContact O-N 3.11Å; I139-S141 PolarHBondContact O-N 3.04Å
142T97Very high95.8Very high60 Ų6050.9 Ų50.937%0.36827%0.272SS..THydrogen-bonded Turntrans-123.4-85.8-173.857.80000112.1W111 I138 I139 G144W111-T142 HydrophobicContact CB-CG2 4.02Å; W111-T142 HydrophobicContact CD2-CG2 3.45Å; W111-T142 VanDerWaalsContact CD2-CG2 3.45Å; W111-T142 HydrophobicContact CE3-CG2 3.65Å; W111-T142 HydrophobicContact CG-CG2 3.62Å; W111-T142 HydrophobicContact CZ3-CG2 4.27Å; I138-T142 HydrophobicContact CG2-CG2 4.32Å; I138-T142 WeakPolarHBondContact O-CB 3.32Å; I138-T142 WeakPolarHBondContact O-CG2 3.43Å; I138-T142 PolarHBondContact O-N 3.27Å; I138-T142 PolarHBondContact O-OG1 3.36Å; I139-T142 PolarHBondContact O-N 2.98Å; T142-G144 VanDerWaalsContact C-N 3.29Å; T142-G144 PolarHBondContact O-N 3.18Å
143T94.8Very high95.7Very high69 Ų6950.9 Ų50.942%0.42327%0.272SS..THydrogen-bonded Turntrans-74.8-21.2-176.257.90000112.9I139I139-T143 PolarHBondContact O-N 3.41Å
144G93.4Very high95.5Very high20 Ų2047.8 Ų47.821%0.20626%0.255CS..  trans63.2-166.7-164.700000111.6I139 T142I139-G144 WeakPolarHBondContact CG2-O 3.37Å; I139-G144 WeakPolarHBondContact O-CA 3.47Å; I139-G144 PolarHBondContact O-N 3.13Å; T142-G144 VanDerWaalsContact C-N 3.29Å; T142-G144 PolarHBondContact O-N 3.18Å
145F93.7Very high95.4Very high36 Ų3653.5 Ų53.516%0.15828%0.282CS..SBendtrans-104.456.5-174.2-54.6-76.1000112.2Y136 I139 N140 V150 Y177 V180 F185Y136-F145 HydrophobicContact CD2-CE1 4.21Å; Y136-F145 HydrophobicContact CD2-CZ 4.41Å; Y136-F145 AromaticContact CE1-CZ 3.82Å; Y136-F145 HydrophobicContact CE1-CZ 3.82Å; Y136-F145 AromaticContact CE2-CE1 3.61Å; Y136-F145 HydrophobicContact CE2-CE1 3.61Å; Y136-F145 AromaticContact CE2-CZ 3.68Å; Y136-F145 HydrophobicContact CE2-CZ 3.68Å; Y136-F145 AromaticContact CZ-CE1 3.81Å; Y136-F145 AromaticContact CZ-CZ 3.34Å; Y136-F145 VanDerWaalsContact OH-CZ 3.31Å; Y136-F145 WeakPolarHBondContact OH-CZ 3.35Å; I139-F145 HydrophobicContact CG2-CD1 3.95Å; I139-F145 HydrophobicContact CG2-CE1 3.9Å; N140-F145 HydrophobicContact CB-CE2 4.07Å; N140-F145 HydrophobicContact CB-CZ 3.81Å; N140-F145 VanDerWaalsContact OD1-CE2 3.24Å; N140-F145 WeakPolarHBondContact OD1-CE2 3.5Å; F145-V150 HydrophobicContact CB-CG2 3.94Å; F145-Y177 HydrophobicContact CD1-CD1 4.16Å; F145-Y177 AromaticContact CD1-CE1 3.73Å; F145-Y177 HydrophobicContact CD1-CE1 3.73Å; F145-Y177 HydrophobicContact CE1-CD1 4.5Å; F145-Y177 AromaticContact CE1-CE1 3.92Å; F145-Y177 HydrophobicContact CE1-CE1 3.92Å; F145-V180 HydrophobicContact CB-CB 4.47Å; F145-V180 HydrophobicContact CB-CG1 3.37Å; F145-V180 HydrophobicContact CD1-CG1 4.4Å; F145-V180 HydrophobicContact CD1-CG2 4.44Å; F145-V180 HydrophobicContact CD2-CG1 4.07Å; F145-V180 HydrophobicContact CD2-CG2 4.12Å; F145-V180 HydrophobicContact CE2-CG2 4.32Å; F145-V180 HydrophobicContact CG-CB 4.43Å; F145-V180 HydrophobicContact CG-CG1 3.72Å; F145-V180 HydrophobicContact CG-CG2 4.19Å; F145-F185 WeakPolarHBondContact O-CE2 3.26Å; F145-F185 VanDerWaalsContact O-CZ 3.27Å; F145-F185 WeakPolarHBondContact O-CZ 3.41Å
146I92.5Very high95.3Very high91 Ų9154 Ų5447%0.46728%0.284SS..  trans-69151.5169.562.5173.2000110.2S148 V149 V150I146-S148 VanDerWaalsContact C-N 3.31Å; I146-S148 PolarHBondContact O-N 2.73Å; I146-V149 HydrophobicContact CD1-CG2 3.91Å; I146-V149 HydrophobicContact CG1-CB 3.86Å; I146-V149 HydrophobicContact CG1-CG2 3.49Å; I146-V149 VanDerWaalsContact CG1-CG2 3.49Å; I146-V149 WeakPolarHBondContact O-CA 3.42Å; I146-V149 WeakPolarHBondContact O-CB 3.36Å; I146-V149 PolarHBondContact O-N 2.92Å; I146-V150 WeakPolarHBondContact O-CG2 3.41Å; I146-V150 PolarHBondContact O-N 2.89Å
147E90.7Very high95.2Very high113 Ų11350.9 Ų50.953%0.52827%0.272SS..Hα-helixtrans-48.1-49.4-174.4-173.8179.2-171.800113V149 V150 D151 F185E147-V149 VanDerWaalsContact C-N 3.28Å; E147-V149 PolarHBondContact O-N 2.68Å; E147-V150 PolarHBondContact O-N 3.42Å; E147-V150 VanDerWaalsContact O-N 3.14Å; E147-D151 PolarHBondContact O-N 3.38Å; E147-F185 HydrophobicContact CB-CE1 4.18Å; E147-F185 HydrophobicContact CB-CZ 4.24Å
148S93.5Very high95.2Very high80 Ų8052.3 Ų52.356%0.55928%0.278SS*.Hα-helixtrans-63.1-30.5-18060.60000114.3I146 K152I146-S148 VanDerWaalsContact C-N 3.31Å; I146-S148 PolarHBondContact O-N 2.73Å; S148-K152 WeakPolarHBondContact O-CB 3.48Å; S148-K152 PolarHBondContact O-N 2.87Å
149V94.9Very high95Very high21 Ų2157.7 Ų57.713%0.12730%0.303CS..Hα-helixtrans-76.1-45.3174.6171.30000109.6I139 I146 E147 D151 K152 E153I139-V149 HydrophobicContact CD1-CG1 4.01Å; I139-V149 HydrophobicContact CG2-CG1 3.77Å; I146-V149 HydrophobicContact CD1-CG2 3.91Å; I146-V149 HydrophobicContact CG1-CB 3.86Å; I146-V149 HydrophobicContact CG1-CG2 3.49Å; I146-V149 VanDerWaalsContact CG1-CG2 3.49Å; I146-V149 WeakPolarHBondContact O-CA 3.42Å; I146-V149 WeakPolarHBondContact O-CB 3.36Å; I146-V149 PolarHBondContact O-N 2.92Å; E147-V149 VanDerWaalsContact C-N 3.28Å; E147-V149 PolarHBondContact O-N 2.68Å; V149-D151 VanDerWaalsContact C-N 3.32Å; V149-D151 PolarHBondContact O-N 3.42Å; V149-K152 PolarHBondContact O-N 3.19Å; V149-E153 HydrophobicContact CG1-CG 4.11Å; V149-E153 WeakPolarHBondContact O-CB 3.48Å; V149-E153 VanDerWaalsContact O-CG 3.29Å; V149-E153 WeakPolarHBondContact O-CG 3.43Å; V149-E153 PolarHBondContact O-N 3.34Å
150V93.7Very high95Very high0 Ų059.7 Ų59.70%031%0.311CS..Hα-helixtrans-56.2-48.7176.9174.20000110.5F145 I146 E147 K152 E153 M154 Y177 F181 F185F145-V150 HydrophobicContact CB-CG2 3.94Å; I146-V150 WeakPolarHBondContact O-CG2 3.41Å; I146-V150 PolarHBondContact O-N 2.89Å; E147-V150 PolarHBondContact O-N 3.42Å; E147-V150 VanDerWaalsContact O-N 3.14Å; V150-K152 PolarHBondContact O-N 3.39Å; V150-E153 PolarHBondContact O-N 3.39Å; V150-M154 HydrophobicContact CG1-CG 4.3Å; V150-M154 HydrophobicContact CG1-SD 3.8Å; V150-M154 WeakPolarHBondContact O-CB 3.34Å; V150-M154 VanDerWaalsContact O-CG 3.27Å; V150-M154 WeakPolarHBondContact O-CG 3.35Å; V150-M154 PolarHBondContact O-N 2.92Å; V150-Y177 HydrophobicContact CB-CD1 4.29Å; V150-Y177 HydrophobicContact CG1-CD1 4.13Å; V150-Y177 HydrophobicContact CG2-CD1 4.1Å; V150-F181 HydrophobicContact CG1-CB 4.49Å; V150-F181 HydrophobicContact CG1-CD2 4.28Å; V150-F185 HydrophobicContact CG2-CE2 4.44Å
151D92.8Very high95Very high70 Ų7055.9 Ų55.937%0.37429%0.29SS..Hα-helixtrans-58.6-46.8177.9-77.8-17.4000112.3E147 V149 E153 M154 Q155E147-D151 PolarHBondContact O-N 3.38Å; V149-D151 VanDerWaalsContact C-N 3.32Å; V149-D151 PolarHBondContact O-N 3.42Å; D151-E153 PolarHBondContact O-N 3.12Å; D151-M154 PolarHBondContact O-N 2.68Å; D151-Q155 WeakPolarHBondContact O-CB 3.38Å; D151-Q155 VanDerWaalsContact O-CG 3.26Å; D151-Q155 WeakPolarHBondContact O-CG 3.45Å; D151-Q155 PolarHBondContact O-N 3.16Å
152K95.6Very high95Very high134 Ų13463.4 Ų63.458%0.58331%0.311SS*.Hα-helixtrans-62-44.3178.6-175.3-175.7176.1-173.10111.6S148 V149 V150 Q155 F156S148-K152 WeakPolarHBondContact O-CB 3.48Å; S148-K152 PolarHBondContact O-N 2.87Å; V149-K152 PolarHBondContact O-N 3.19Å; V150-K152 PolarHBondContact O-N 3.39Å; K152-Q155 PolarHBondContact O-N 3.13Å; K152-F156 WeakPolarHBondContact O-CB 3.41Å; K152-F156 PolarHBondContact O-N 3.3Å
153E96.6Very high94.9Very high2 Ų266.7 Ų66.71%0.00933%0.326CS..Hα-helixtrans-71.9-34.8-178.7-66.6-51134.200112.3R135 I139 V149 V150 D151 F156 C157 Y173 Y177R135-E153 IonicContact CZ-OE1 3.72Å; R135-E153 IonicContact CZ-OE2 3.21Å; R135-E153 IonicContact NE-OE1 3.84Å; R135-E153 IonicContact NE-OE2 2.8Å; R135-E153 PolarHBondContact NE-OE2 2.94Å; R135-E153 VanDerWaalsContact NH2-CD 3.27Å; R135-E153 IonicContact NH2-OE1 2.82Å; R135-E153 PolarHBondContact NH2-OE1 2.91Å; R135-E153 IonicContact NH2-OE2 2.9Å; R135-E153 PolarHBondContact NH2-OE2 2.86Å; I139-E153 HydrophobicContact CG1-CG 4.42Å; V149-E153 HydrophobicContact CG1-CG 4.11Å; V149-E153 WeakPolarHBondContact O-CB 3.48Å; V149-E153 VanDerWaalsContact O-CG 3.29Å; V149-E153 WeakPolarHBondContact O-CG 3.43Å; V149-E153 PolarHBondContact O-N 3.34Å; V150-E153 PolarHBondContact O-N 3.39Å; D151-E153 PolarHBondContact O-N 3.12Å; E153-F156 PolarHBondContact O-N 3.48Å; E153-C157 WeakPolarHBondContact O-CB 3.32Å; E153-C157 PolarHBondContact O-N 2.95Å; E153-Y173 HydrophobicContact CB-CE1 4.42Å; E153-Y173 PolarHBondContact OE2-OH 2.87Å; E153-Y177 HydrophobicContact CB-CD1 4.13Å; E153-Y177 HydrophobicContact CB-CE1 3.57Å; E153-Y177 HydrophobicContact CB-CE2 4.17Å; E153-Y177 HydrophobicContact CG-CE1 3.9Å
154M94.9Very high94.9Very high39 Ų3964.8 Ų64.819%0.19231%0.314CS..Hα-helixtrans-63.1-46170.5-73.3179.268.600111V150 D151 F156 C157 F158 L174V150-M154 HydrophobicContact CG1-CG 4.3Å; V150-M154 HydrophobicContact CG1-SD 3.8Å; V150-M154 WeakPolarHBondContact O-CB 3.34Å; V150-M154 VanDerWaalsContact O-CG 3.27Å; V150-M154 WeakPolarHBondContact O-CG 3.35Å; V150-M154 PolarHBondContact O-N 2.92Å; D151-M154 PolarHBondContact O-N 2.68Å; M154-F156 PolarHBondContact O-N 3.38Å; M154-C157 PolarHBondContact O-N 3.06Å; M154-F158 HydrophobicContact CB-CD2 4.43Å; M154-F158 HydrophobicContact CB-CE2 4.08Å; M154-F158 HydrophobicContact CE-CE2 4.12Å; M154-F158 HydrophobicContact CE-CZ 4.22Å; M154-F158 WeakPolarHBondContact O-CD2 3.43Å; M154-F158 WeakPolarHBondContact O-CG 3.43Å; M154-F158 PolarHBondContact O-N 3.43Å; M154-L174 HydrophobicContact CB-CD1 4.38Å; M154-L174 HydrophobicContact CE-CD1 4.26Å; M154-L174 HydrophobicContact CG-CD1 3.95Å
155Q95.6Very high95Very high125 Ų12567.3 Ų67.358%0.58433%0.327SS*.Hα-helixtrans-60.4-45.7175.8-72.7175.119.600112D151 K152 C157 F158 Q159D151-Q155 WeakPolarHBondContact O-CB 3.38Å; D151-Q155 VanDerWaalsContact O-CG 3.26Å; D151-Q155 WeakPolarHBondContact O-CG 3.45Å; D151-Q155 PolarHBondContact O-N 3.16Å; K152-Q155 PolarHBondContact O-N 3.13Å; Q155-C157 VanDerWaalsContact C-N 3.32Å; Q155-C157 PolarHBondContact O-N 3.45Å; Q155-F158 PolarHBondContact O-N 2.66Å; Q155-Q159 WeakPolarHBondContact O-CG 3.41Å; Q155-Q159 PolarHBondContact O-N 2.83Å
156F96.2Very high95.1Very high16 Ų1672.7 Ų72.77%0.0736%0.357CS..Hα-helixtrans-55.2-48.9173.7175.7-96.4000111E119 I122 W132 K152 E153 M154 F158 Q159 W160E119-F156 HydrophobicContact CB-CE2 4.49Å; E119-F156 HydrophobicContact CB-CZ 4.47Å; E119-F156 HydrophobicContact CG-CE2 3.78Å; E119-F156 HydrophobicContact CG-CZ 4.1Å; I122-F156 HydrophobicContact CD1-CE1 3.97Å; I122-F156 HydrophobicContact CD1-CZ 4.18Å; I122-F156 HydrophobicContact CG2-CZ 4.3Å; W132-F156 HydrophobicContact CH2-CD1 4.34Å; W132-F156 AromaticContact CH2-CE1 3.89Å; W132-F156 HydrophobicContact CH2-CE1 3.89Å; W132-F156 HydrophobicContact CZ3-CD1 4.07Å; W132-F156 AromaticContact CZ3-CE1 3.75Å; W132-F156 HydrophobicContact CZ3-CE1 3.75Å; K152-F156 WeakPolarHBondContact O-CB 3.41Å; K152-F156 PolarHBondContact O-N 3.3Å; E153-F156 PolarHBondContact O-N 3.48Å; M154-F156 PolarHBondContact O-N 3.38Å; F156-F158 PolarHBondContact O-N 3.3Å; F156-Q159 PolarHBondContact O-N 3.4Å; F156-W160 AromaticContact CE1-CD1 3.9Å; F156-W160 AromaticContact CE1-NE1 3.8Å; F156-W160 AromaticContact CE2-NE1 3.56Å; F156-W160 AromaticContact CZ-CD1 3.92Å; F156-W160 AromaticContact CZ-NE1 3.33Å; F156-W160 VanDerWaalsContact CZ-NE1 3.33Å; F156-W160 VanDerWaalsContact O-CD1 3.25Å
157C96.6Very high95.3Very high0 Ų068.5 Ų68.50%034%0.336CS..Hα-helixtrans-63.9-40.8179.8-167.50000112.9W132 E153 M154 Q155 Q159 W160 I161 A170 Y173W132-C157 HydrophobicContact CZ3-CB 4.43Å; E153-C157 WeakPolarHBondContact O-CB 3.32Å; E153-C157 PolarHBondContact O-N 2.95Å; M154-C157 PolarHBondContact O-N 3.06Å; Q155-C157 VanDerWaalsContact C-N 3.32Å; Q155-C157 PolarHBondContact O-N 3.45Å; C157-Q159 VanDerWaalsContact C-N 3.29Å; C157-Q159 PolarHBondContact O-N 3.5Å; C157-W160 PolarHBondContact O-N 3.25Å; C157-I161 WeakPolarHBondContact O-CG1 3.5Å; C157-I161 PolarHBondContact O-N 3.43Å; C157-A170 PolarHBondContact SG-O 3.49Å; C157-Y173 HydrophobicContact CB-CD1 4.06Å; C157-Y173 HydrophobicContact CB-CE1 4.37Å
158F96.4Very high95.5Very high78 Ų7870.2 Ų70.234%0.34234%0.344SS..Hα-helixtrans-63.1-34179.5-75.1-49.9000113.1M154 Q155 F156 W160 I161 R162 L174M154-F158 HydrophobicContact CB-CD2 4.43Å; M154-F158 HydrophobicContact CB-CE2 4.08Å; M154-F158 HydrophobicContact CE-CE2 4.12Å; M154-F158 HydrophobicContact CE-CZ 4.22Å; M154-F158 WeakPolarHBondContact O-CD2 3.43Å; M154-F158 WeakPolarHBondContact O-CG 3.43Å; M154-F158 PolarHBondContact O-N 3.43Å; Q155-F158 PolarHBondContact O-N 2.66Å; F156-F158 PolarHBondContact O-N 3.3Å; F158-W160 VanDerWaalsContact C-N 3.3Å; F158-W160 PolarHBondContact O-N 2.99Å; F158-I161 PolarHBondContact O-N 3.13Å; F158-R162 WeakPolarHBondContact O-CB 3.45Å; F158-R162 VanDerWaalsContact O-CG 3.26Å; F158-R162 WeakPolarHBondContact O-CG 3.2Å; F158-R162 PolarHBondContact O-N 3.3Å; F158-L174 HydrophobicContact CD1-CD2 4.32Å; F158-L174 HydrophobicContact CE1-CD1 4.36Å; F158-L174 HydrophobicContact CE1-CD2 3.65Å; F158-L174 HydrophobicContact CZ-CD1 4.16Å; F158-L174 HydrophobicContact CZ-CD2 4.17Å
159Q96Very high95.7Very high115 Ų11567.1 Ų67.154%0.53732%0.323SS..Hα-helixtrans-59-44.2175.8-68170.28.900111Q155 F156 C157 L163Q155-Q159 WeakPolarHBondContact O-CG 3.41Å; Q155-Q159 PolarHBondContact O-N 2.83Å; F156-Q159 PolarHBondContact O-N 3.4Å; C157-Q159 VanDerWaalsContact C-N 3.29Å; C157-Q159 PolarHBondContact O-N 3.5Å; Q159-L163 WeakPolarHBondContact O-CG 3.38Å; Q159-L163 PolarHBondContact O-N 3.45Å
160W96.4Very high95.8Very high44 Ų4466.1 Ų66.117%0.16732%0.317CS..Hα-helixtrans-72.5-40.5178.6-67.4110.3000113.6I122 C123 V126 W132 F156 C157 F158 R162 L163 V164I122-W160 HydrophobicContact CG2-CD2 4.26Å; I122-W160 HydrophobicContact CG2-CG 4.41Å; I122-W160 HydrophobicContact CG2-CZ2 4.39Å; C123-W160 HydrophobicContact CB-CH2 4.15Å; C123-W160 HydrophobicContact CB-CZ2 4.31Å; C123-W160 WeakPolarHBondContact SG-CZ2 3.21Å; V126-W160 HydrophobicContact CB-CE3 4.05Å; V126-W160 HydrophobicContact CB-CZ3 4.45Å; V126-W160 HydrophobicContact CG2-CB 3.78Å; V126-W160 HydrophobicContact CG2-CD2 3.7Å; V126-W160 HydrophobicContact CG2-CE3 3.4Å; V126-W160 VanDerWaalsContact CG2-CE3 3.4Å; V126-W160 HydrophobicContact CG2-CG 3.88Å; V126-W160 HydrophobicContact CG2-CZ3 4.25Å; W132-W160 HydrophobicContact CH2-CB 4.05Å; W132-W160 AromaticContact CH2-CD1 3.62Å; W132-W160 HydrophobicContact CH2-CG 4.01Å; W132-W160 HydrophobicContact CZ2-CB 4.06Å; W132-W160 HydrophobicContact CZ2-CG 4.06Å; F156-W160 AromaticContact CE1-CD1 3.9Å; F156-W160 AromaticContact CE1-NE1 3.8Å; F156-W160 AromaticContact CE2-NE1 3.56Å; F156-W160 AromaticContact CZ-CD1 3.92Å; F156-W160 AromaticContact CZ-NE1 3.33Å; F156-W160 VanDerWaalsContact CZ-NE1 3.33Å; F156-W160 VanDerWaalsContact O-CD1 3.25Å; C157-W160 PolarHBondContact O-N 3.25Å; F158-W160 VanDerWaalsContact C-N 3.3Å; F158-W160 PolarHBondContact O-N 2.99Å; W160-R162 VanDerWaalsContact C-N 3.3Å; W160-R162 PolarHBondContact O-N 2.84Å; W160-L163 HydrophobicContact CE3-CD1 4.22Å; W160-L163 HydrophobicContact CZ3-CD1 4.31Å; W160-L163 PolarHBondContact O-N 3.07Å; W160-V164 PolarHBondContact O-N 3.06Å
161I96.7Very high96Very high13 Ų1371.5 Ų71.57%0.06734%0.337CS..Hα-helixtrans-61.1-40.1176.8-72.5170.9000110.9C157 F158 L163 V164 P165 A170 W171 L174C157-I161 WeakPolarHBondContact O-CG1 3.5Å; C157-I161 PolarHBondContact O-N 3.43Å; F158-I161 PolarHBondContact O-N 3.13Å; I161-L163 VanDerWaalsContact C-N 3.26Å; I161-L163 PolarHBondContact O-N 3.07Å; I161-V164 CarbonylContact O-C 3.21Å; I161-V164 PolarHBondContact O-N 3.34Å; I161-P165 WeakPolarHBondContact O-CA 3.36Å; I161-P165 WeakPolarHBondContact O-CD 3.26Å; I161-P165 WeakPolarHBondContact O-CG 3.5Å; I161-A170 HydrophobicContact CD1-CB 4.34Å; I161-A170 HydrophobicContact CG1-CB 3.72Å; I161-W171 HydrophobicContact CD1-CD2 3.89Å; I161-W171 HydrophobicContact CD1-CE3 3.91Å; I161-W171 HydrophobicContact CD1-CG 4.47Å; I161-W171 HydrophobicContact CD1-CH2 4.32Å; I161-W171 HydrophobicContact CD1-CZ2 4.31Å; I161-W171 HydrophobicContact CD1-CZ3 4.12Å; I161-W171 HydrophobicContact CG1-CD2 4.45Å; I161-W171 HydrophobicContact CG2-CH2 3.86Å; I161-W171 HydrophobicContact CG2-CZ2 3.34Å; I161-L174 HydrophobicContact CD1-CB 4.38Å; I161-L174 HydrophobicContact CD1-CD2 3.77Å
162R96.3Very high96.1Very high205 Ų20573.5 Ų73.577%0.77435%0.348SS*.Hα-helixtrans-61.2-36.3176.9-74.7171.7-178.31792.3112.5F158 W160F158-R162 WeakPolarHBondContact O-CB 3.45Å; F158-R162 VanDerWaalsContact O-CG 3.26Å; F158-R162 WeakPolarHBondContact O-CG 3.2Å; F158-R162 PolarHBondContact O-N 3.3Å; W160-R162 VanDerWaalsContact C-N 3.3Å; W160-R162 PolarHBondContact O-N 2.84Å
163L94.9Very high96.2Very high129 Ų12967.6 Ų67.668%0.67532%0.322SS*.Hα-helixtrans-77.8-39178.3-66175.4000112.2Q159 W160 I161Q159-L163 WeakPolarHBondContact O-CG 3.38Å; Q159-L163 PolarHBondContact O-N 3.45Å; W160-L163 HydrophobicContact CE3-CD1 4.22Å; W160-L163 HydrophobicContact CZ3-CD1 4.31Å; W160-L163 PolarHBondContact O-N 3.07Å; I161-L163 VanDerWaalsContact C-N 3.26Å; I161-L163 PolarHBondContact O-N 3.07Å
164V96.1Very high96.2Very high30 Ų3067.6 Ų67.618%0.18232%0.322CS..  trans-133.779.4-178.6-1690000110.4V126 R127 W160 I161 N166 N167V126-V164 HydrophobicContact CG1-CB 4.31Å; V126-V164 HydrophobicContact CG1-CG2 3.86Å; R127-V164 VanDerWaalsContact NH2-CG1 3.25Å; W160-V164 PolarHBondContact O-N 3.06Å; I161-V164 CarbonylContact O-C 3.21Å; I161-V164 PolarHBondContact O-N 3.34Å; V164-N166 VanDerWaalsContact C-N 3.25Å; V164-N166 PolarHBondContact O-N 3.39Å; V164-N167 HydrophobicContact CB-CB 4.19Å; V164-N167 HydrophobicContact CG1-CB 3.87Å; V164-N167 VanDerWaalsContact O-CB 3.24Å; V164-N167 WeakPolarHBondContact O-CB 3.34Å; V164-N167 PolarHBondContact O-N 3.17Å; V164-N167 VanDerWaalsContact O-N 3.12Å
165P96Very high96.1Very high73 Ų7369 Ų6947%0.47434%0.335SS..THydrogen-bonded Turntrans-63.1-26.6-173.9-25.734.6000114.6I161 N167 W171I161-P165 WeakPolarHBondContact O-CA 3.36Å; I161-P165 WeakPolarHBondContact O-CD 3.26Å; I161-P165 WeakPolarHBondContact O-CG 3.5Å; P165-N167 VanDerWaalsContact C-N 3.26Å; P165-N167 PolarHBondContact O-N 2.95Å; P165-W171 PolarHBondContact O-NE1 3.32Å
166N95.3Very high96Very high148 Ų14863.9 Ų63.979%0.79132%0.316SS*.THydrogen-bonded Turntrans-89.718.9179.6-62.8-19.4000113V164 E168V164-N166 VanDerWaalsContact C-N 3.25Å; V164-N166 PolarHBondContact O-N 3.39Å; N166-E168 PolarHBondContact O-N 3.41Å
167N95.3Very high95.7Very high4 Ų463.1 Ų63.12%0.02131%0.313CS..  trans-86.699.317918015.7000111.7V126 V164 P165 S169 A170 W171V126-N167 PolarHBondContact O-ND2 3.27Å; V164-N167 HydrophobicContact CB-CB 4.19Å; V164-N167 HydrophobicContact CG1-CB 3.87Å; V164-N167 VanDerWaalsContact O-CB 3.24Å; V164-N167 WeakPolarHBondContact O-CB 3.34Å; V164-N167 PolarHBondContact O-N 3.17Å; V164-N167 VanDerWaalsContact O-N 3.12Å; P165-N167 VanDerWaalsContact C-N 3.26Å; P165-N167 PolarHBondContact O-N 2.95Å; N167-S169 PolarHBondContact O-N 3.35Å; N167-S169 WeakPolarHBondContact OD1-CB 3.32Å; N167-S169 PolarHBondContact OD1-N 3.17Å; N167-S169 VanDerWaalsContact OD1-N 3.11Å; N167-A170 HydrophobicContact CB-CB 4.45Å; N167-A170 PolarHBondContact O-N 3.36Å; N167-W171 PolarHBondContact O-N 2.88Å
168E96.3Very high95.3Very high148 Ų14866.2 Ų66.269%0.69233%0.329SS*.Hα-helixtrans-55.6-32.7177.3-65.2178.9-177.300113.6N166 A170 W171 N172N166-E168 PolarHBondContact O-N 3.41Å; E168-A170 PolarHBondContact O-N 3.45Å; E168-W171 PolarHBondContact O-N 3.02Å; E168-N172 WeakPolarHBondContact O-CB 3.01Å; E168-N172 PolarHBondContact O-N 3.44Å; E168-N172 PolarHBondContact O-ND2 3.22Å
169S97Very high94.9Very high16 Ų1668.1 Ų68.111%0.11234%0.342CS..Hα-helixtrans-65.2-43-177.5-59.10000112N129 W132 N167 Y173N129-S169 WeakPolarHBondContact CA-OG 3.43Å; N129-S169 WeakPolarHBondContact CB-OG 3.39Å; N129-S169 PolarHBondContact N-OG 3.06Å; W132-S169 VanDerWaalsContact CD1-CB 3.41Å; N167-S169 PolarHBondContact O-N 3.35Å; N167-S169 WeakPolarHBondContact OD1-CB 3.32Å; N167-S169 PolarHBondContact OD1-N 3.17Å; N167-S169 VanDerWaalsContact OD1-N 3.11Å; S169-Y173 WeakPolarHBondContact O-CB 3.27Å; S169-Y173 PolarHBondContact O-N 3.36Å; S169-Y173 VanDerWaalsContact O-N 3.07Å
170A97.2Very high94.3Very high0 Ų063.4 Ų63.40%032%0.321CS..Hα-helixtrans-68.9-40.2177.700000111.2W132 C157 I161 N167 E168 Y173 L174W132-A170 HydrophobicContact CH2-CB 4.06Å; W132-A170 HydrophobicContact CZ2-CB 3.8Å; C157-A170 PolarHBondContact SG-O 3.49Å; I161-A170 HydrophobicContact CD1-CB 4.34Å; I161-A170 HydrophobicContact CG1-CB 3.72Å; N167-A170 HydrophobicContact CB-CB 4.45Å; N167-A170 PolarHBondContact O-N 3.36Å; E168-A170 PolarHBondContact O-N 3.45Å; A170-Y173 WeakPolarHBondContact O-CB 3.41Å; A170-Y173 PolarHBondContact O-N 3.36Å; A170-L174 WeakPolarHBondContact O-CB 3.44Å; A170-L174 PolarHBondContact O-N 3.41Å
171W97.2Very high93.6Very high112 Ų11264.6 Ų64.642%0.42433%0.327SS..Hα-helixtrans-63.9-44.3175.6-73.6111.6000112.7I161 P165 N167 E168 Y173 L174 S175I161-W171 HydrophobicContact CD1-CD2 3.89Å; I161-W171 HydrophobicContact CD1-CE3 3.91Å; I161-W171 HydrophobicContact CD1-CG 4.47Å; I161-W171 HydrophobicContact CD1-CH2 4.32Å; I161-W171 HydrophobicContact CD1-CZ2 4.31Å; I161-W171 HydrophobicContact CD1-CZ3 4.12Å; I161-W171 HydrophobicContact CG1-CD2 4.45Å; I161-W171 HydrophobicContact CG2-CH2 3.86Å; I161-W171 HydrophobicContact CG2-CZ2 3.34Å; P165-W171 PolarHBondContact O-NE1 3.32Å; N167-W171 PolarHBondContact O-N 2.88Å; E168-W171 PolarHBondContact O-N 3.02Å; W171-Y173 VanDerWaalsContact C-N 3.29Å; W171-Y173 PolarHBondContact O-N 3.31Å; W171-L174 HydrophobicContact CE3-CD2 3.93Å; W171-L174 HydrophobicContact CZ3-CD2 3.82Å; W171-L174 PolarHBondContact O-N 3.45Å; W171-S175 PolarHBondContact O-N 3.01Å; W171-S175 PolarHBondContact O-OG 3.45Å; W171-S175 VanDerWaalsContact O-OG 3.08Å
172N96.2Very high92.9Very high113 Ų11371.4 Ų71.460%0.60436%0.357SS*.Hα-helixtrans-60.2-41.2176.1-72.6-21.5000111.6E168 S175 G176E168-N172 WeakPolarHBondContact O-CB 3.01Å; E168-N172 PolarHBondContact O-N 3.44Å; E168-N172 PolarHBondContact O-ND2 3.22Å; N172-S175 PolarHBondContact O-N 3.21Å; N172-G176 PolarHBondContact O-N 2.9Å
173Y96.9Very high92.3Very high9 Ų966.5 Ų66.54%0.03535%0.35CS..Hα-helixtrans-60.2-51.7173.8-176.1-97.9000111.3W132 R135 Y136 E153 C157 S169 A170 W171 S175 G176 Y177W132-Y173 HydrophobicContact CB-CD2 4.37Å; W132-Y173 HydrophobicContact CD2-CG 4.44Å; W132-Y173 AromaticContact CE3-CD1 3.65Å; W132-Y173 HydrophobicContact CE3-CD1 3.65Å; W132-Y173 AromaticContact CE3-CD2 3.79Å; W132-Y173 HydrophobicContact CE3-CD2 3.79Å; W132-Y173 HydrophobicContact CE3-CE1 4.15Å; W132-Y173 HydrophobicContact CE3-CE2 4.28Å; W132-Y173 AromaticContact CE3-CG 3.44Å; W132-Y173 HydrophobicContact CE3-CG 3.44Å; W132-Y173 VanDerWaalsContact CE3-CG 3.44Å; W132-Y173 AromaticContact CZ3-CD1 3.62Å; W132-Y173 HydrophobicContact CZ3-CD1 3.62Å; W132-Y173 AromaticContact CZ3-CE1 4Å; W132-Y173 HydrophobicContact CZ3-CE1 4Å; W132-Y173 AromaticContact CZ3-CG 3.92Å; W132-Y173 HydrophobicContact CZ3-CG 3.92Å; W132-Y173 WeakPolarHBondContact O-CD2 3.5Å; R135-Y173 HydrophobicContact CB-CE2 4.12Å; R135-Y173 HydrophobicContact CG-CE2 4.25Å; Y136-Y173 HydrophobicContact CD2-CD2 4.47Å; Y136-Y173 HydrophobicContact CD2-CE2 4.35Å; E153-Y173 HydrophobicContact CB-CE1 4.42Å; E153-Y173 PolarHBondContact OE2-OH 2.87Å; C157-Y173 HydrophobicContact CB-CD1 4.06Å; C157-Y173 HydrophobicContact CB-CE1 4.37Å; S169-Y173 WeakPolarHBondContact O-CB 3.27Å; S169-Y173 PolarHBondContact O-N 3.36Å; S169-Y173 VanDerWaalsContact O-N 3.07Å; A170-Y173 WeakPolarHBondContact O-CB 3.41Å; A170-Y173 PolarHBondContact O-N 3.36Å; W171-Y173 VanDerWaalsContact C-N 3.29Å; W171-Y173 PolarHBondContact O-N 3.31Å; Y173-S175 VanDerWaalsContact C-N 3.34Å; Y173-S175 PolarHBondContact O-N 2.9Å; Y173-G176 PolarHBondContact O-N 2.82Å; Y173-G176 VanDerWaalsContact O-N 3.12Å; Y173-Y177 HydrophobicContact CD1-CD2 4.13Å; Y173-Y177 AromaticContact CD1-CE2 3.93Å; Y173-Y177 HydrophobicContact CD1-CE2 3.93Å; Y173-Y177 HydrophobicContact CD2-CE2 4.2Å; Y173-Y177 AromaticContact CE1-CD2 3.92Å; Y173-Y177 HydrophobicContact CE1-CD2 3.92Å; Y173-Y177 AromaticContact CE1-CE2 3.39Å; Y173-Y177 HydrophobicContact CE1-CE2 3.39Å; Y173-Y177 AromaticContact CE2-CE2 3.68Å; Y173-Y177 HydrophobicContact CE2-CE2 3.68Å; Y173-Y177 HydrophobicContact CG-CE2 4.32Å; Y173-Y177 AromaticContact CZ-CE2 3.24Å; Y173-Y177 AromaticContact CZ-CZ 3.8Å; Y173-Y177 WeakPolarHBondContact O-CD2 3.29Å; Y173-Y177 PolarHBondContact O-N 3.46Å; Y173-Y177 WeakPolarHBondContact OH-CE2 3.44Å; Y173-Y177 PolarHBondContact OH-OH 3.31Å
174L96.1Very high91.7Very high3 Ų363.4 Ų63.42%0.01634%0.339CS..Hα-helixtrans-57.9-43.6177.9-179.161.2000112.4M154 F158 I161 A170 W171 G176 Y177 I178M154-L174 HydrophobicContact CB-CD1 4.38Å; M154-L174 HydrophobicContact CE-CD1 4.26Å; M154-L174 HydrophobicContact CG-CD1 3.95Å; F158-L174 HydrophobicContact CD1-CD2 4.32Å; F158-L174 HydrophobicContact CE1-CD1 4.36Å; F158-L174 HydrophobicContact CE1-CD2 3.65Å; F158-L174 HydrophobicContact CZ-CD1 4.16Å; F158-L174 HydrophobicContact CZ-CD2 4.17Å; I161-L174 HydrophobicContact CD1-CB 4.38Å; I161-L174 HydrophobicContact CD1-CD2 3.77Å; A170-L174 WeakPolarHBondContact O-CB 3.44Å; A170-L174 PolarHBondContact O-N 3.41Å; W171-L174 HydrophobicContact CE3-CD2 3.93Å; W171-L174 HydrophobicContact CZ3-CD2 3.82Å; W171-L174 PolarHBondContact O-N 3.45Å; L174-G176 PolarHBondContact O-N 3.46Å; L174-Y177 PolarHBondContact O-N 3.23Å; L174-I178 HydrophobicContact CD1-CD1 4.31Å; L174-I178 HydrophobicContact CD1-CG1 4.31Å; L174-I178 HydrophobicContact CD2-CD1 4.3Å; L174-I178 HydrophobicContact CG-CD1 3.83Å; L174-I178 HydrophobicContact CG-CG1 4.28Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3.45Å
175S94.2Very high90.7Very high67 Ų6764.7 Ų64.747%0.46934%0.342SS..Hα-helixtrans-57.5-36.6177.6-66.20000112.3W171 N172 Y173 I178 L179W171-S175 PolarHBondContact O-N 3.01Å; W171-S175 PolarHBondContact O-OG 3.45Å; W171-S175 VanDerWaalsContact O-OG 3.08Å; N172-S175 PolarHBondContact O-N 3.21Å; Y173-S175 VanDerWaalsContact C-N 3.34Å; Y173-S175 PolarHBondContact O-N 2.9Å; S175-I178 PolarHBondContact O-N 3.5Å; S175-L179 PolarHBondContact O-N 2.91Å
176G92Very high89Confident18 Ų1870.5 Ų70.519%0.18638%0.38CS..Hα-helixtrans-59.9-43.317400000112.8N172 Y173 L174 V180N172-G176 PolarHBondContact O-N 2.9Å; Y173-G176 PolarHBondContact O-N 2.82Å; Y173-G176 VanDerWaalsContact O-N 3.12Å; L174-G176 PolarHBondContact O-N 3.46Å; G176-V180 WeakPolarHBondContact O-CG2 3.5Å; G176-V180 PolarHBondContact O-N 2.86Å
177Y90.6Very high88.7Confident1 Ų166.7 Ų66.70%0.00436%0.36CS..Hα-helixtrans-72.5-38.5177.7-75.4-89.1000112.9Y136 I139 F145 V150 E153 Y173 L174 L179 V180 F181Y136-Y177 HydrophobicContact CD2-CD2 4.38Å; Y136-Y177 AromaticContact CD2-CE2 3.71Å; Y136-Y177 HydrophobicContact CD2-CE2 3.71Å; Y136-Y177 HydrophobicContact CE2-CD2 4.47Å; Y136-Y177 HydrophobicContact CE2-CE2 4.13Å; I139-Y177 HydrophobicContact CG2-CE1 4.49Å; F145-Y177 HydrophobicContact CD1-CD1 4.16Å; F145-Y177 AromaticContact CD1-CE1 3.73Å; F145-Y177 HydrophobicContact CD1-CE1 3.73Å; F145-Y177 HydrophobicContact CE1-CD1 4.5Å; F145-Y177 AromaticContact CE1-CE1 3.92Å; F145-Y177 HydrophobicContact CE1-CE1 3.92Å; V150-Y177 HydrophobicContact CB-CD1 4.29Å; V150-Y177 HydrophobicContact CG1-CD1 4.13Å; V150-Y177 HydrophobicContact CG2-CD1 4.1Å; E153-Y177 HydrophobicContact CB-CD1 4.13Å; E153-Y177 HydrophobicContact CB-CE1 3.57Å; E153-Y177 HydrophobicContact CB-CE2 4.17Å; E153-Y177 HydrophobicContact CG-CE1 3.9Å; Y173-Y177 HydrophobicContact CD1-CD2 4.13Å; Y173-Y177 AromaticContact CD1-CE2 3.93Å; Y173-Y177 HydrophobicContact CD1-CE2 3.93Å; Y173-Y177 HydrophobicContact CD2-CE2 4.2Å; Y173-Y177 AromaticContact CE1-CD2 3.92Å; Y173-Y177 HydrophobicContact CE1-CD2 3.92Å; Y173-Y177 AromaticContact CE1-CE2 3.39Å; Y173-Y177 HydrophobicContact CE1-CE2 3.39Å; Y173-Y177 AromaticContact CE2-CE2 3.68Å; Y173-Y177 HydrophobicContact CE2-CE2 3.68Å; Y173-Y177 HydrophobicContact CG-CE2 4.32Å; Y173-Y177 AromaticContact CZ-CE2 3.24Å; Y173-Y177 AromaticContact CZ-CZ 3.8Å; Y173-Y177 WeakPolarHBondContact O-CD2 3.29Å; Y173-Y177 PolarHBondContact O-N 3.46Å; Y173-Y177 WeakPolarHBondContact OH-CE2 3.44Å; Y173-Y177 PolarHBondContact OH-OH 3.31Å; L174-Y177 PolarHBondContact O-N 3.23Å; Y177-L179 VanDerWaalsContact C-N 3.3Å; Y177-L179 PolarHBondContact O-N 3.43Å; Y177-V180 PolarHBondContact O-N 3.24Å; Y177-F181 WeakPolarHBondContact O-CB 3.46Å; Y177-F181 PolarHBondContact O-N 3.28Å
178I88Confident88.4Confident65 Ų6569.9 Ų69.933%0.33338%0.377SS..Hα-helixtrans-59.6-44.6175.8-69.5172.9000110.4L174 S175 V180 F181 F182L174-I178 HydrophobicContact CD1-CD1 4.31Å; L174-I178 HydrophobicContact CD1-CG1 4.31Å; L174-I178 HydrophobicContact CD2-CD1 4.3Å; L174-I178 HydrophobicContact CG-CD1 3.83Å; L174-I178 HydrophobicContact CG-CG1 4.28Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3.45Å; S175-I178 PolarHBondContact O-N 3.5Å; I178-V180 PolarHBondContact O-N 3.41Å; I178-F181 PolarHBondContact O-N 2.89Å; I178-F182 HydrophobicContact CG2-CD2 3.66Å; I178-F182 HydrophobicContact CG2-CE2 3.48Å; I178-F182 VanDerWaalsContact CG2-CE2 3.48Å; I178-F182 WeakPolarHBondContact O-CD2 3.27Å; I178-F182 PolarHBondContact O-N 3.5Å; I178-F182 VanDerWaalsContact O-N 3.13Å
179L87.5Confident87.9Confident117 Ų11765.6 Ų65.661%0.61336%0.36SS*.Hα-helixtrans-59.8-48.4177-179.263.6000111S175 Y177 F181 F182 T183S175-L179 PolarHBondContact O-N 2.91Å; Y177-L179 VanDerWaalsContact C-N 3.3Å; Y177-L179 PolarHBondContact O-N 3.43Å; L179-F181 VanDerWaalsContact C-N 3.3Å; L179-F181 PolarHBondContact O-N 2.94Å; L179-F182 PolarHBondContact O-N 2.93Å; L179-T183 HydrophobicContact CD1-CG2 4.25Å; L179-T183 WeakPolarHBondContact O-CG2 3.44Å; L179-T183 PolarHBondContact O-N 3.37Å; L179-T183 PolarHBondContact O-OG1 3.27Å; L179-T183 VanDerWaalsContact O-OG1 3.07Å
180V84.6Confident87.4Confident17 Ų1768.5 Ų68.510%0.10337%0.374CS..Hα-helixtrans-61.3-40.4178.7174.30000111.7F145 G176 Y177 I178 T183 S184F145-V180 HydrophobicContact CB-CB 4.47Å; F145-V180 HydrophobicContact CB-CG1 3.37Å; F145-V180 HydrophobicContact CD1-CG1 4.4Å; F145-V180 HydrophobicContact CD1-CG2 4.44Å; F145-V180 HydrophobicContact CD2-CG1 4.07Å; F145-V180 HydrophobicContact CD2-CG2 4.12Å; F145-V180 HydrophobicContact CE2-CG2 4.32Å; F145-V180 HydrophobicContact CG-CB 4.43Å; F145-V180 HydrophobicContact CG-CG1 3.72Å; F145-V180 HydrophobicContact CG-CG2 4.19Å; G176-V180 WeakPolarHBondContact O-CG2 3.5Å; G176-V180 PolarHBondContact O-N 2.86Å; Y177-V180 PolarHBondContact O-N 3.24Å; I178-V180 PolarHBondContact O-N 3.41Å; V180-T183 WeakPolarHBondContact CA-OG1 3.39Å; V180-T183 PolarHBondContact O-N 3.38Å; V180-T183 PolarHBondContact O-OG1 2.88Å; V180-T183 VanDerWaalsContact O-OG1 3.07Å; V180-S184 WeakPolarHBondContact O-CB 3.48Å; V180-S184 PolarHBondContact O-N 3.14Å; V180-S184 PolarHBondContact O-OG 3.26Å
181F81.7Confident86.8Confident69 Ų6972.8 Ų72.830%0.30340%0.398SS..Hα-helixtrans-58-53.1178.8-174.8-91.3000111.1V150 Y177 I178 L179 T183 S184 F185V150-F181 HydrophobicContact CG1-CB 4.49Å; V150-F181 HydrophobicContact CG1-CD2 4.28Å; Y177-F181 WeakPolarHBondContact O-CB 3.46Å; Y177-F181 PolarHBondContact O-N 3.28Å; I178-F181 PolarHBondContact O-N 2.89Å; L179-F181 VanDerWaalsContact C-N 3.3Å; L179-F181 PolarHBondContact O-N 2.94Å; F181-T183 VanDerWaalsContact C-N 3.31Å; F181-T183 PolarHBondContact O-N 2.97Å; F181-S184 PolarHBondContact O-N 2.93Å; F181-F185 HydrophobicContact CD2-CD2 4.1Å; F181-F185 HydrophobicContact CE2-CB 4.44Å; F181-F185 PolarHBondContact O-N 3.19Å
182F81.8Confident86.1Confident155 Ų15570.2 Ų70.268%0.6840%0.396SS*.Hα-helixtrans-67.1-27.3-179.8-74.3-60.5000114.2I178 L179I178-F182 HydrophobicContact CG2-CD2 3.66Å; I178-F182 HydrophobicContact CG2-CE2 3.48Å; I178-F182 VanDerWaalsContact CG2-CE2 3.48Å; I178-F182 WeakPolarHBondContact O-CD2 3.27Å; I178-F182 PolarHBondContact O-N 3.5Å; I178-F182 VanDerWaalsContact O-N 3.13Å; L179-F182 PolarHBondContact O-N 2.93Å
183T84.3Confident85.4Confident102 Ų10267.1 Ų67.163%0.62638%0.381SS*.Hα-helixtrans-84.3-26.6178.655.40000113.7L179 V180 F181L179-T183 HydrophobicContact CD1-CG2 4.25Å; L179-T183 WeakPolarHBondContact O-CG2 3.44Å; L179-T183 PolarHBondContact O-N 3.37Å; L179-T183 PolarHBondContact O-OG1 3.27Å; L179-T183 VanDerWaalsContact O-OG1 3.07Å; V180-T183 WeakPolarHBondContact CA-OG1 3.39Å; V180-T183 PolarHBondContact O-N 3.38Å; V180-T183 PolarHBondContact O-OG1 2.88Å; V180-T183 VanDerWaalsContact O-OG1 3.07Å; F181-T183 VanDerWaalsContact C-N 3.31Å; F181-T183 PolarHBondContact O-N 2.97Å
184S81.3Confident84.5Confident65 Ų6571.6 Ų71.646%0.45541%0.408SS..Hα-helixtrans-111.4-21.9-169.1-58.20000113.9V180 F181V180-S184 WeakPolarHBondContact O-CB 3.48Å; V180-S184 PolarHBondContact O-N 3.14Å; V180-S184 PolarHBondContact O-OG 3.26Å; F181-S184 PolarHBondContact O-N 2.93Å
185F74.7Confident83.5Confident57 Ų5777.3 Ų77.325%0.2544%0.44CS..  trans-131.190.3-176.1-51.3-72.8000109.8F145 E147 V150 F181F145-F185 WeakPolarHBondContact O-CE2 3.26Å; F145-F185 VanDerWaalsContact O-CZ 3.27Å; F145-F185 WeakPolarHBondContact O-CZ 3.41Å; E147-F185 HydrophobicContact CB-CE1 4.18Å; E147-F185 HydrophobicContact CB-CZ 4.24Å; V150-F185 HydrophobicContact CG2-CE2 4.44Å; F181-F185 HydrophobicContact CD2-CD2 4.1Å; F181-F185 HydrophobicContact CE2-CB 4.44Å; F181-F185 PolarHBondContact O-N 3.19Å
186P61.6Low82.5Confident195 Ų19578.3 Ų78.3100%1.26644%0.438SS*.  trans-72.80-178.230.2-34.9000114.1

Retrieved 186 of 186 residues in 69.8 ms (Link to these results)

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