A0A096MIU0_RAT Loading...

Glutathione S-transferase

AlphaFold DB (Q4FZZ3), UniProt , Accession A0A096MIU0, Species RAT (Rattus norvegicus, Rat), Gene Gsta5, Length 222 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
1M44.9Very low89.6Confident243 Ų24358.4 Ų58.4100%1.19733%0.331SS*.  0119.40-69.8-168.3-86.700106.9
2S69.7Low90Very high78 Ų7853.5 Ų53.555%0.54530%0.303SS..PPolyproline II helixtrans-67.9134.5171.849.20000108.5D61S2-D61 VanDerWaalsContact CB-OD1 3.25Å; S2-D61 WeakPolarHBondContact CB-OD1 3.44Å; S2-D61 PolarHBondContact OG-OD1 3.2Å
3G89.8Confident90.5Very high64 Ų6451.5 Ų51.566%0.6629%0.288SS*.PPolyproline II helixtrans-64.4172.4178.200000111.9
4K97.1Very high90.8Very high102 Ų10248.9 Ų48.944%0.44328%0.278SS..PPolyproline II helixtrans-57142.3173.3-62.8-174-171.7-169.90109.8V6 E29 E31K4-V6 PolarHBondContact O-N 3.13Å; K4-E29 HydrophobicContact CD-CB 4.09Å; K4-E29 WeakPolarHBondContact CE-OE2 3.45Å; K4-E29 IonicContact NZ-OE2 2.9Å; K4-E29 PolarHBondContact NZ-OE2 2.88Å; K4-E31 HydrophobicContact CB-CG 4.44Å; K4-E31 HydrophobicContact CD-CG 4.35Å
5P98.5Very high91.2Very high5 Ų552.3 Ų52.33%0.03229%0.285CS..PPolyproline II helixtrans-55.7139.7169.7-23.234000110.7L7 L23 V28 E29 F30 E31 V58 E59 I60P5-L7 HydrophobicContact CB-CD1 4.24Å; P5-L23 HydrophobicContact CB-CD1 4.37Å; P5-L23 HydrophobicContact CG-CD2 4.18Å; P5-V28 HydrophobicContact CG-CG1 4Å; P5-E29 WeakPolarHBondContact CD-O 3.34Å; P5-F30 HydrophobicContact CB-CB 4.24Å; P5-F30 WeakPolarHBondContact O-CA 3.43Å; P5-F30 WeakPolarHBondContact O-CB 3.44Å; P5-E31 PolarHBondContact O-N 2.97Å; P5-V58 HydrophobicContact CB-CG1 4.22Å; P5-E59 CarbonylContact C-O 3.56Å; P5-E59 VanDerWaalsContact CA-O 3.24Å; P5-E59 WeakPolarHBondContact CA-O 3.34Å; P5-I60 HydrophobicContact CB-CB 4.41Å; P5-I60 HydrophobicContact CB-CD1 4.25Å; P5-I60 HydrophobicContact CB-CG1 4.38Å; P5-I60 HydrophobicContact CG-CD1 3.82Å; P5-I60 HydrophobicContact CG-CG1 4.11Å
6V98.6Very high91.6Very high16 Ų1649.1 Ų49.110%0.09727%0.267CS..EExtended strand (participates in β ladder)trans-115.1115.4177.3-172.50000109.2K4 E31 K33 V58 E59K4-V6 PolarHBondContact O-N 3.13Å; V6-E31 WeakPolarHBondContact CA-O 3.48Å; V6-E31 HydrophobicContact CG2-CB 4.42Å; V6-K33 HydrophobicContact CG1-CB 4.34Å; V6-K33 HydrophobicContact CG1-CD 3.74Å; V6-K33 HydrophobicContact CG1-CG 3.77Å; V6-V58 CarbonylContact O-C 3.54Å; V6-V58 WeakPolarHBondContact O-CA 3.23Å; V6-E59 HydrophobicContact CB-CB 4.04Å; V6-E59 HydrophobicContact CB-CG 4.28Å; V6-E59 HydrophobicContact CG2-CB 4.48Å; V6-E59 PolarHBondContact N-O 3.45Å; V6-E59 PolarHBondContact O-N 3.29Å
7L98.8Very high92Very high0 Ų046.2 Ų46.20%025%0.252CS..EExtended strand (participates in β ladder)trans-93.3123-177.9-80.458.2000109.8P5 M16 I19 R20 L23 F30 E31 E32 K33 V58P5-L7 HydrophobicContact CB-CD1 4.24Å; L7-M16 HydrophobicContact CB-CE 3.97Å; L7-M16 HydrophobicContact CB-CG 4.49Å; L7-M16 HydrophobicContact CB-SD 4.08Å; L7-M16 HydrophobicContact CD2-CG 3.93Å; L7-M16 HydrophobicContact CD2-SD 3.7Å; L7-M16 HydrophobicContact CG-CE 4.18Å; L7-M16 HydrophobicContact CG-CG 4.43Å; L7-M16 HydrophobicContact CG-SD 3.72Å; L7-I19 HydrophobicContact CD2-CG2 4.2Å; L7-I19 HydrophobicContact CG-CG2 4.46Å; L7-R20 HydrophobicContact CD2-CG 3.73Å; L7-L23 HydrophobicContact CD1-CD1 3.78Å; L7-L23 HydrophobicContact CD2-CD1 4.38Å; L7-F30 HydrophobicContact CD1-CB 4.06Å; L7-F30 HydrophobicContact CD1-CD2 4.17Å; L7-F30 HydrophobicContact CD1-CG 4.3Å; L7-F30 HydrophobicContact CD2-CD2 3.93Å; L7-F30 HydrophobicContact CD2-CE2 4.08Å; L7-E31 PolarHBondContact N-O 2.85Å; L7-E32 HydrophobicContact CB-CG 4.23Å; L7-E32 WeakPolarHBondContact O-CA 3.36Å; L7-K33 PolarHBondContact O-N 3.33Å; L7-V58 HydrophobicContact CD1-CG1 4.08Å; L7-V58 HydrophobicContact CD1-CG2 4.12Å; L7-V58 HydrophobicContact CG-CG2 3.9Å
8H98.7Very high92.4Very high10 Ų1044.2 Ų44.25%0.04624%0.242CC..EExtended strand (participates in β ladder)trans-102.4109.8175-67.3-108.6000109.8M16 K33 L44 M57 E59H8-M16 VanDerWaalsContact O-CE 3.29Å; H8-M16 WeakPolarHBondContact O-CE 3.25Å; H8-K33 VanDerWaalsContact CE1-CD 3.48Å; H8-K33 WeakPolarHBondContact CE1-CD 3.38Å; H8-L44 HydrophobicContact CB-CD1 4.41Å; H8-M57 HydrophobicContact CB-CB 4.31Å; H8-M57 HydrophobicContact CB-CE 3.95Å; H8-M57 WeakPolarHBondContact CD2-CE 3.4Å; H8-M57 VanDerWaalsContact CG-CE 3.44Å; H8-M57 PolarHBondContact N-O 2.83Å; H8-M57 PolarHBondContact O-N 3.35Å; H8-E59 IonicContact CD2-OE1 3.98Å; H8-E59 IonicContact CE1-OE1 3.13Å; H8-E59 PolarHBondContact CE1-OE1 3.27Å; H8-E59 IonicContact NE2-OE1 3.9Å; H8-E59 PolarHBondContact NE2-OE1 3.4Å
9Y98.2Very high92.7Very high17 Ų1741.9 Ų41.97%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-162171179.6-150.9-117.2000110.4R15 M16 L34 I35 V55 P56Y9-R15 PolarHBondContact OH-N 2.92Å; Y9-M16 HydrophobicContact CD1-CB 3.49Å; Y9-M16 VanDerWaalsContact CD1-CB 3.49Å; Y9-M16 HydrophobicContact CD1-CG 4.38Å; Y9-M16 HydrophobicContact CD2-CB 3.97Å; Y9-M16 HydrophobicContact CD2-CE 4.26Å; Y9-M16 HydrophobicContact CE1-CB 3.92Å; Y9-M16 HydrophobicContact CE2-CB 4.36Å; Y9-M16 HydrophobicContact CG-CB 3.52Å; Y9-M16 HydrophobicContact CG-CE 4.28Å; Y9-M16 HydrophobicContact CG-CG 4.12Å; Y9-L34 CarbonylContact O-C 3.57Å; Y9-L34 VanDerWaalsContact O-CA 3.27Å; Y9-L34 WeakPolarHBondContact O-CA 3.4Å; Y9-I35 PolarHBondContact O-N 3Å; Y9-V55 HydrophobicContact CD2-CB 3.99Å; Y9-V55 HydrophobicContact CD2-CG2 3.71Å; Y9-V55 HydrophobicContact CE2-CB 4.4Å; Y9-V55 HydrophobicContact CE2-CG2 3.89Å; Y9-P56 HydrophobicContact CD2-CB 4.45Å; Y9-P56 HydrophobicContact CD2-CG 4.05Å; Y9-P56 HydrophobicContact CE2-CG 3.77Å
10F95.7Very high93Very high23 Ų2339.8 Ų39.810%0.10122%0.218CC..  trans-80168169.469.9-75.7000111.5A12 I35 M208 A216 F220F10-A12 HydrophobicContact CD2-CB 3.61Å; F10-A12 HydrophobicContact CE2-CB 3.2Å; F10-A12 HydrophobicContact CZ-CB 3.84Å; F10-A12 PolarHBondContact O-N 3.34Å; F10-I35 WeakPolarHBondContact CB-O 3.34Å; F10-M208 HydrophobicContact CE2-SD 3.9Å; F10-M208 HydrophobicContact CZ-SD 4.28Å; F10-A216 HydrophobicContact CD2-CB 4.05Å; F10-A216 HydrophobicContact CE2-CB 3.56Å; F10-A216 HydrophobicContact CZ-CB 4.06Å; F10-F220 HydrophobicContact CB-CE2 3.85Å; F10-F220 HydrophobicContact CB-CZ 4.19Å; F10-F220 HydrophobicContact CD1-CD2 4.24Å; F10-F220 AromaticContact CD1-CE2 3.26Å; F10-F220 HydrophobicContact CD1-CE2 3.26Å; F10-F220 AromaticContact CD1-CZ 3.65Å; F10-F220 HydrophobicContact CD1-CZ 3.65Å; F10-F220 HydrophobicContact CD2-CE2 4.42Å; F10-F220 HydrophobicContact CE1-CD2 4.37Å; F10-F220 AromaticContact CE1-CE2 3.78Å; F10-F220 HydrophobicContact CE1-CE2 3.78Å; F10-F220 HydrophobicContact CE1-CZ 4.35Å; F10-F220 AromaticContact CG-CE2 3.63Å; F10-F220 HydrophobicContact CG-CE2 3.63Å; F10-F220 HydrophobicContact CG-CZ 4.22Å
11N95.3Very high93.3Very high84 Ų8438.1 Ų38.145%0.44921%0.208SC..SBendtrans-77.565.4-175.1-167.519.1000113.5L34 K205 Q212N11-L34 HydrophobicContact CB-CD1 4.08Å; N11-L34 HydrophobicContact CB-CD2 4.26Å; N11-K205 VanDerWaalsContact OD1-CE 3.28Å; N11-K205 WeakPolarHBondContact OD1-CE 3.32Å; N11-Q212 PolarHBondContact O-NE2 2.55Å; N11-Q212 VanDerWaalsContact O-NE2 3.09Å
12A95Very high95.9Very high0 Ų026.6 Ų26.60%015%0.151CC..SBendtrans-153.5173.5176.500000111.5F10 R20 M208F10-A12 HydrophobicContact CD2-CB 3.61Å; F10-A12 HydrophobicContact CE2-CB 3.2Å; F10-A12 HydrophobicContact CZ-CB 3.84Å; F10-A12 PolarHBondContact O-N 3.34Å; A12-R20 PolarHBondContact O-NH1 3.27Å; A12-R20 PolarHBondContact O-NH2 3.46Å; A12-M208 HydrophobicContact CB-CG 3.72Å; A12-M208 HydrophobicContact CB-SD 3.48Å; A12-M208 WeakPolarHBondContact CB-SD 3.33Å
13R96.1Very high97.3Very high27 Ų2722.9 Ų22.910%0.10213%0.125CC..SBendtrans-57.8-76.1170.2-67.4179.1176.7172.30.6111M16 E17 R20 Y166 E169 K205 P206R13-M16 PolarHBondContact O-N 3.04Å; R13-E17 HydrophobicContact CB-CB 3.83Å; R13-E17 HydrophobicContact CB-CG 3.92Å; R13-E17 HydrophobicContact CG-CB 4.31Å; R13-E17 HydrophobicContact CG-CG 3.83Å; R13-E17 PolarHBondContact O-N 3.47Å; R13-E17 VanDerWaalsContact O-N 3.12Å; R13-R20 PolarHBondContact O-NH1 2.89Å; R13-Y166 VanDerWaalsContact NH1-CE1 3.26Å; R13-E169 IonicContact CZ-OE1 3.64Å; R13-E169 IonicContact CZ-OE2 2.7Å; R13-E169 VanDerWaalsContact CZ-OE2 3.31Å; R13-E169 IonicContact NH1-OE1 3.27Å; R13-E169 IonicContact NH1-OE2 2.91Å; R13-E169 PolarHBondContact NH1-OE2 3.41Å; R13-E169 IonicContact NH2-OE1 2.69Å; R13-E169 PolarHBondContact NH2-OE1 3.06Å; R13-E169 IonicContact NH2-OE2 3.91Å; R13-E169 PolarHBondContact NH2-OE2 3.23Å; R13-K205 HydrophobicContact CB-CB 4.44Å; R13-K205 HydrophobicContact CG-CB 3.7Å; R13-K205 WeakPolarHBondContact CG-O 3.31Å; R13-K205 PolarHBondContact NE-O 3.41Å; R13-P206 WeakPolarHBondContact CG-O 3.45Å; R13-P206 VanDerWaalsContact NE-C 3.33Å; R13-P206 PolarHBondContact NE-O 2.67Å
14G94.3Very high97.7Very high15 Ų1520.5 Ų20.516%0.15510%0.099CC..G310 helixtrans47.1-143.7-177.700000113.3M16G14-M16 VanDerWaalsContact C-N 3.27Å; G14-M16 PolarHBondContact O-N 2.79Å
15R97Very high97.8Very high101 Ų10116 Ų1638%0.3818%0.082SC..G310 helixtrans-80.8-3.5179.9-61.3-175.5-178.2-71.9-8.2114Y9 P56 T68 E104Y9-R15 PolarHBondContact OH-N 2.92Å; R15-P56 HydrophobicContact CB-CG 3.73Å; R15-T68 WeakPolarHBondContact O-CG2 3.4Å; R15-E104 IonicContact CZ-OE1 3.16Å; R15-E104 IonicContact CZ-OE2 2.72Å; R15-E104 IonicContact NH1-OE2 3.35Å; R15-E104 PolarHBondContact NH1-OE2 3.24Å; R15-E104 IonicContact NH2-OE1 2.76Å; R15-E104 PolarHBondContact NH2-OE1 3.31Å; R15-E104 IonicContact NH2-OE2 2.71Å; R15-E104 PolarHBondContact NH2-OE2 2.7Å
16M98.4Very high97.8Very high0 Ų017.3 Ų17.30%09%0.092CC..G310 helixtrans-92.4-19.4179.5-171.562.586.500112.4L7 H8 Y9 R13 G14 C18 I19 R20 P56 V58L7-M16 HydrophobicContact CB-CE 3.97Å; L7-M16 HydrophobicContact CB-CG 4.49Å; L7-M16 HydrophobicContact CB-SD 4.08Å; L7-M16 HydrophobicContact CD2-CG 3.93Å; L7-M16 HydrophobicContact CD2-SD 3.7Å; L7-M16 HydrophobicContact CG-CE 4.18Å; L7-M16 HydrophobicContact CG-CG 4.43Å; L7-M16 HydrophobicContact CG-SD 3.72Å; H8-M16 VanDerWaalsContact O-CE 3.29Å; H8-M16 WeakPolarHBondContact O-CE 3.25Å; Y9-M16 HydrophobicContact CD1-CB 3.49Å; Y9-M16 VanDerWaalsContact CD1-CB 3.49Å; Y9-M16 HydrophobicContact CD1-CG 4.38Å; Y9-M16 HydrophobicContact CD2-CB 3.97Å; Y9-M16 HydrophobicContact CD2-CE 4.26Å; Y9-M16 HydrophobicContact CE1-CB 3.92Å; Y9-M16 HydrophobicContact CE2-CB 4.36Å; Y9-M16 HydrophobicContact CG-CB 3.52Å; Y9-M16 HydrophobicContact CG-CE 4.28Å; Y9-M16 HydrophobicContact CG-CG 4.12Å; R13-M16 PolarHBondContact O-N 3.04Å; G14-M16 VanDerWaalsContact C-N 3.27Å; G14-M16 PolarHBondContact O-N 2.79Å; M16-C18 PolarHBondContact O-N 2.95Å; M16-I19 WeakPolarHBondContact O-CB 3.33Å; M16-I19 PolarHBondContact O-N 3.06Å; M16-I19 HydrophobicContact SD-CB 3.92Å; M16-I19 HydrophobicContact SD-CD1 3.59Å; M16-I19 VanDerWaalsContact SD-CD1 3.59Å; M16-I19 HydrophobicContact SD-CG1 4.35Å; M16-I19 HydrophobicContact SD-CG2 4.07Å; M16-R20 HydrophobicContact CG-CG 4.44Å; M16-R20 PolarHBondContact O-N 2.73Å; M16-R20 VanDerWaalsContact O-N 3.09Å; M16-P56 HydrophobicContact CB-CG 4.42Å; M16-P56 HydrophobicContact CE-CB 3.51Å; M16-P56 HydrophobicContact CE-CG 4.33Å; M16-P56 HydrophobicContact SD-CB 4.05Å; M16-V58 HydrophobicContact CE-CG2 4.16Å; M16-V58 HydrophobicContact SD-CG2 4.22Å
17E98.4Very high97.7Very high0 Ų018.7 Ų18.70%011%0.11CC..Hα-helixtrans-61.7-43.7-172.9-160.261-172.300113.1R13 I19 R20 W21 Y166 R204 K205R13-E17 HydrophobicContact CB-CB 3.83Å; R13-E17 HydrophobicContact CB-CG 3.92Å; R13-E17 HydrophobicContact CG-CB 4.31Å; R13-E17 HydrophobicContact CG-CG 3.83Å; R13-E17 PolarHBondContact O-N 3.47Å; R13-E17 VanDerWaalsContact O-N 3.12Å; E17-I19 PolarHBondContact O-N 3.14Å; E17-R20 WeakPolarHBondContact O-CB 3.4Å; E17-R20 PolarHBondContact O-N 3.34Å; E17-R20 WeakPolarHBondContact OE2-CD 3.46Å; E17-R20 IonicContact OE2-CZ 3.85Å; E17-R20 IonicContact OE2-NE 3.36Å; E17-R20 IonicContact OE2-NH1 2.68Å; E17-R20 PolarHBondContact OE2-NH1 3.27Å; E17-W21 VanDerWaalsContact O-CD1 3.3Å; E17-W21 PolarHBondContact O-N 2.89Å; E17-Y166 WeakPolarHBondContact CB-OH 3.39Å; E17-Y166 WeakPolarHBondContact CG-OH 3.25Å; E17-R204 WeakPolarHBondContact OE1-CG 3.28Å; E17-K205 PolarHBondContact OE1-N 3.36Å; E17-K205 WeakPolarHBondContact OE2-CB 3.4Å; E17-K205 WeakPolarHBondContact OE2-CG 3.33Å
18C98.6Very high97.7Very high11 Ų1119.8 Ų19.87%0.07412%0.117CC..Hα-helixtrans-58.5-31.7174.759.10000113.5M16 L22 L72 E162M16-C18 PolarHBondContact O-N 2.95Å; C18-L22 WeakPolarHBondContact O-CB 3.17Å; C18-L22 PolarHBondContact O-N 3.48Å; C18-L72 HydrophobicContact CB-CD2 4.48Å; C18-E162 WeakPolarHBondContact CA-OE2 3.39Å; C18-E162 VanDerWaalsContact CB-OE2 3.24Å; C18-E162 WeakPolarHBondContact CB-OE2 3.46Å; C18-E162 PolarHBondContact N-OE1 3.47Å
19I98.9Very high97.7Very high0 Ų024.8 Ų24.80%014%0.14CC..Hα-helixtrans-71.3-42.6175.5-63.9161.4000110.2L7 M16 E17 L22 L23 P56 V58 T68 I71 L72 I75L7-I19 HydrophobicContact CD2-CG2 4.2Å; L7-I19 HydrophobicContact CG-CG2 4.46Å; M16-I19 WeakPolarHBondContact O-CB 3.33Å; M16-I19 PolarHBondContact O-N 3.06Å; M16-I19 HydrophobicContact SD-CB 3.92Å; M16-I19 HydrophobicContact SD-CD1 3.59Å; M16-I19 VanDerWaalsContact SD-CD1 3.59Å; M16-I19 HydrophobicContact SD-CG1 4.35Å; M16-I19 HydrophobicContact SD-CG2 4.07Å; E17-I19 PolarHBondContact O-N 3.14Å; I19-L22 PolarHBondContact O-N 2.85Å; I19-L23 HydrophobicContact CG2-CD1 4.07Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 2.95Å; I19-P56 HydrophobicContact CD1-CB 4.03Å; I19-P56 HydrophobicContact CD1-CG 4.46Å; I19-V58 HydrophobicContact CG2-CG2 4.23Å; I19-T68 HydrophobicContact CD1-CG2 4.22Å; I19-T68 HydrophobicContact CG1-CG2 4.5Å; I19-I71 HydrophobicContact CD1-CB 4.05Å; I19-I71 HydrophobicContact CD1-CD1 3.94Å; I19-I71 HydrophobicContact CD1-CG2 3.72Å; I19-I71 HydrophobicContact CG1-CB 4.5Å; I19-I71 HydrophobicContact CG1-CG2 3.94Å; I19-I71 HydrophobicContact CG2-CG2 3.93Å; I19-L72 HydrophobicContact CB-CD2 4.4Å; I19-L72 HydrophobicContact CG1-CD2 3.74Å; I19-L72 HydrophobicContact CG1-CG 4.03Å; I19-I75 HydrophobicContact CG2-CD1 3.78Å
20R98.9Very high97.7Very high0 Ų024.5 Ų24.50%014%0.139CC..Hα-helixtrans-59.7-46.4174-61.3-175.4-174100.31.4111L7 A12 R13 M16 E17 L22 L23 A24 F30 E32 F197L7-R20 HydrophobicContact CD2-CG 3.73Å; A12-R20 PolarHBondContact O-NH1 3.27Å; A12-R20 PolarHBondContact O-NH2 3.46Å; R13-R20 PolarHBondContact O-NH1 2.89Å; M16-R20 HydrophobicContact CG-CG 4.44Å; M16-R20 PolarHBondContact O-N 2.73Å; M16-R20 VanDerWaalsContact O-N 3.09Å; E17-R20 WeakPolarHBondContact O-CB 3.4Å; E17-R20 PolarHBondContact O-N 3.34Å; E17-R20 WeakPolarHBondContact OE2-CD 3.46Å; E17-R20 IonicContact OE2-CZ 3.85Å; E17-R20 IonicContact OE2-NE 3.36Å; E17-R20 IonicContact OE2-NH1 2.68Å; E17-R20 PolarHBondContact OE2-NH1 3.27Å; R20-L22 PolarHBondContact O-N 2.88Å; R20-L23 PolarHBondContact O-N 3.1Å; R20-A24 VanDerWaalsContact O-CB 3.22Å; R20-A24 WeakPolarHBondContact O-CB 3.27Å; R20-A24 PolarHBondContact O-N 3.41Å; R20-F30 HydrophobicContact CB-CE2 4.41Å; R20-F30 HydrophobicContact CB-CZ 3.85Å; R20-F30 HydrophobicContact CG-CE2 4.03Å; R20-F30 HydrophobicContact CG-CZ 3.98Å; R20-E32 IonicContact CZ-OE2 2.65Å; R20-E32 IonicContact NE-OE1 3.43Å; R20-E32 IonicContact NE-OE2 3.97Å; R20-E32 PolarHBondContact NE-OE2 2.69Å; R20-E32 IonicContact NH2-OE2 2.69Å; R20-E32 PolarHBondContact NH2-OE2 2.98Å; R20-F197 HydrophobicContact CB-CZ 3.85Å
21W98.9Very high97.9Very high5 Ų528.4 Ų28.42%0.01916%0.158CC..Hα-helixtrans-57.5-46.9176.8-89.298000112.4E17 A24 A25 I158 L161 E162 L165 V194 F197 L198E17-W21 VanDerWaalsContact O-CD1 3.3Å; E17-W21 PolarHBondContact O-N 2.89Å; W21-A24 PolarHBondContact O-N 2.86Å; W21-A25 VanDerWaalsContact O-CB 3.29Å; W21-A25 WeakPolarHBondContact O-CB 3.35Å; W21-A25 PolarHBondContact O-N 3.38Å; W21-I158 HydrophobicContact CB-CG2 3.99Å; W21-I158 HydrophobicContact CE3-CG2 4.24Å; W21-L161 HydrophobicContact CH2-CD2 4.22Å; W21-L161 HydrophobicContact CH2-CG 4.35Å; W21-L161 HydrophobicContact CZ3-CD2 3.75Å; W21-L161 HydrophobicContact CZ3-CG 4.17Å; W21-E162 VanDerWaalsContact CD1-CD 3.47Å; W21-E162 HydrophobicContact CD2-CB 4.21Å; W21-E162 HydrophobicContact CD2-CG 4.49Å; W21-E162 HydrophobicContact CG-CB 4.26Å; W21-E162 HydrophobicContact CG-CG 4.27Å; W21-L165 HydrophobicContact CH2-CD1 3.4Å; W21-L165 VanDerWaalsContact CH2-CD1 3.4Å; W21-L165 HydrophobicContact CZ2-CD1 3.61Å; W21-V194 HydrophobicContact CZ3-CG1 3.91Å; W21-F197 HydrophobicContact CB-CE1 4.49Å; W21-F197 AromaticContact CD1-CE1 3.98Å; W21-F197 AromaticContact CD2-CD1 3.92Å; W21-F197 HydrophobicContact CD2-CD1 3.92Å; W21-F197 AromaticContact CD2-CE1 3.79Å; W21-F197 HydrophobicContact CD2-CE1 3.79Å; W21-F197 AromaticContact CE2-CE1 3.91Å; W21-F197 HydrophobicContact CE3-CD1 4.04Å; W21-F197 HydrophobicContact CE3-CE1 4.37Å; W21-F197 HydrophobicContact CG-CD1 4.37Å; W21-F197 AromaticContact CG-CE1 3.84Å; W21-F197 HydrophobicContact CG-CE1 3.84Å; W21-F197 HydrophobicContact CZ3-CD1 4.41Å; W21-F197 AromaticContact NE1-CE1 3.98Å; W21-L198 HydrophobicContact CH2-CD2 3.64Å; W21-L198 HydrophobicContact CH2-CG 4.12Å; W21-L198 HydrophobicContact CZ2-CD2 4.18Å
22L98.9Very high98Very high0 Ų026.4 Ų26.40%015%0.146CC..Hα-helixtrans-68.2-43.2-177.2-169.963.8000112.3C18 I19 R20 A26 L72 I75 A76 L81 R155C18-L22 WeakPolarHBondContact O-CB 3.17Å; C18-L22 PolarHBondContact O-N 3.48Å; I19-L22 PolarHBondContact O-N 2.85Å; R20-L22 PolarHBondContact O-N 2.88Å; L22-A26 WeakPolarHBondContact O-CB 3.25Å; L22-A26 PolarHBondContact O-N 3.09Å; L22-L72 HydrophobicContact CB-CD2 4.23Å; L22-L72 HydrophobicContact CD2-CB 4.45Å; L22-L72 HydrophobicContact CD2-CD2 3.75Å; L22-I75 HydrophobicContact CB-CG2 4.41Å; L22-I75 HydrophobicContact CD2-CB 3.99Å; L22-I75 HydrophobicContact CD2-CG2 3.65Å; L22-I75 HydrophobicContact CG-CG2 3.76Å; L22-A76 HydrophobicContact CD2-CB 4.16Å; L22-L81 HydrophobicContact CD1-CD1 3.72Å; L22-L81 HydrophobicContact CG-CD1 4.48Å; L22-R155 HydrophobicContact CD1-CB 3.7Å; L22-R155 HydrophobicContact CD2-CB 4.4Å
23L98.9Very high98.2Very high0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-62.2-46.2174.5-73.1168.8000111.5P5 L7 I19 R20 A26 G27 V28 F30 I75 Y79P5-L23 HydrophobicContact CB-CD1 4.37Å; P5-L23 HydrophobicContact CG-CD2 4.18Å; L7-L23 HydrophobicContact CD1-CD1 3.78Å; L7-L23 HydrophobicContact CD2-CD1 4.38Å; I19-L23 HydrophobicContact CG2-CD1 4.07Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 2.95Å; R20-L23 PolarHBondContact O-N 3.1Å; L23-A26 CarbonylContact O-C 3.57Å; L23-A26 PolarHBondContact O-N 3.28Å; L23-G27 PolarHBondContact O-N 3.4Å; L23-V28 HydrophobicContact CB-CB 4.39Å; L23-V28 HydrophobicContact CD2-CB 4.06Å; L23-V28 HydrophobicContact CD2-CG1 3.92Å; L23-V28 PolarHBondContact O-N 3.22Å; L23-F30 HydrophobicContact CB-CD1 3.71Å; L23-F30 HydrophobicContact CB-CE1 4.02Å; L23-F30 HydrophobicContact CD1-CB 4.08Å; L23-F30 HydrophobicContact CD1-CD1 3.92Å; L23-F30 HydrophobicContact CD1-CG 4.05Å; L23-F30 HydrophobicContact CG-CD1 4.45Å; L23-I75 HydrophobicContact CD1-CD1 4.3Å; L23-I75 HydrophobicContact CD2-CD1 3.95Å; L23-I75 HydrophobicContact CD2-CG1 4.17Å; L23-I75 HydrophobicContact CD2-CG2 3.92Å; L23-I75 HydrophobicContact CG-CD1 3.97Å; L23-I75 HydrophobicContact CG-CG2 4.35Å; L23-Y79 HydrophobicContact CD2-CE2 4.2Å
24A98.7Very high98.2Very high14 Ų1433.2 Ų33.212%0.11618%0.179CC..Hα-helixtrans-62.4-46.2179.800000111.5R20 W21 A26 G27 N193 F197R20-A24 VanDerWaalsContact O-CB 3.22Å; R20-A24 WeakPolarHBondContact O-CB 3.27Å; R20-A24 PolarHBondContact O-N 3.41Å; W21-A24 PolarHBondContact O-N 2.86Å; A24-A26 VanDerWaalsContact C-N 3.28Å; A24-A26 PolarHBondContact O-N 2.94Å; A24-G27 PolarHBondContact O-N 2.88Å; A24-N193 WeakPolarHBondContact O-CB 3.39Å; A24-F197 HydrophobicContact CB-CB 3.82Å; A24-F197 HydrophobicContact CB-CD1 3.98Å; A24-F197 HydrophobicContact CB-CD2 3.35Å; A24-F197 HydrophobicContact CB-CE1 4.39Å; A24-F197 HydrophobicContact CB-CE2 3.83Å; A24-F197 HydrophobicContact CB-CG 3.43Å; A24-F197 VanDerWaalsContact CB-CG 3.43Å; A24-F197 HydrophobicContact CB-CZ 4.33Å
25A98.6Very high98.4Very high9 Ų932.9 Ų32.97%0.07417%0.173CC..Hα-helixtrans-59.7-38.6176.300000112.4W21 G27 I158 N193 V194W21-A25 VanDerWaalsContact O-CB 3.29Å; W21-A25 WeakPolarHBondContact O-CB 3.35Å; W21-A25 PolarHBondContact O-N 3.38Å; A25-G27 PolarHBondContact O-N 3.11Å; A25-I158 HydrophobicContact CB-CD1 3.49Å; A25-I158 VanDerWaalsContact CB-CD1 3.49Å; A25-I158 HydrophobicContact CB-CG1 3.73Å; A25-I158 HydrophobicContact CB-CG2 4.07Å; A25-N193 WeakPolarHBondContact O-CB 3.48Å; A25-N193 PolarHBondContact O-ND2 3.12Å; A25-N193 VanDerWaalsContact O-ND2 3.08Å; A25-V194 HydrophobicContact CB-CG2 4.07Å
26A98.5Very high98.3Very high31 Ų3135.5 Ų35.526%0.25619%0.19SC..THydrogen-bonded Turntrans-70-4.817400000114L22 L23 A24 V28 Y79 L81L22-A26 WeakPolarHBondContact O-CB 3.25Å; L22-A26 PolarHBondContact O-N 3.09Å; L23-A26 CarbonylContact O-C 3.57Å; L23-A26 PolarHBondContact O-N 3.28Å; A24-A26 VanDerWaalsContact C-N 3.28Å; A24-A26 PolarHBondContact O-N 2.94Å; A26-V28 VanDerWaalsContact C-N 3.32Å; A26-V28 HydrophobicContact CB-CG2 3.89Å; A26-Y79 HydrophobicContact CB-CD2 4.04Å; A26-Y79 HydrophobicContact CB-CG 3.95Å; A26-L81 HydrophobicContact CB-CD1 4.08Å
27G98.1Very high98.1Very high46 Ų4637 Ų3747%0.47420%0.2SC..THydrogen-bonded Turntrans75.122.2-178.600000113.6L23 A24 A25 N193L23-G27 PolarHBondContact O-N 3.4Å; A24-G27 PolarHBondContact O-N 2.88Å; A25-G27 PolarHBondContact O-N 3.11Å; G27-N193 VanDerWaalsContact CA-ND2 3.29Å; G27-N193 WeakPolarHBondContact CA-ND2 3.27Å; G27-N193 PolarHBondContact N-ND2 2.98Å
28V98.4Very high98Very high23 Ų2339.1 Ų39.114%0.13921%0.214CC..  trans-96.9120.8-176.1-177.90000109.3P5 L23 A26 Y79P5-V28 HydrophobicContact CG-CG1 4Å; L23-V28 HydrophobicContact CB-CB 4.39Å; L23-V28 HydrophobicContact CD2-CB 4.06Å; L23-V28 HydrophobicContact CD2-CG1 3.92Å; L23-V28 PolarHBondContact O-N 3.22Å; A26-V28 VanDerWaalsContact C-N 3.32Å; A26-V28 HydrophobicContact CB-CG2 3.89Å; V28-Y79 HydrophobicContact CG2-CD1 4.05Å; V28-Y79 HydrophobicContact CG2-CD2 4.16Å; V28-Y79 HydrophobicContact CG2-CE1 3.55Å; V28-Y79 HydrophobicContact CG2-CE2 3.69Å; V28-Y79 HydrophobicContact CG2-CG 4.34Å
29E98.2Very high98Very high115 Ų11544.7 Ų44.754%0.53724%0.239SC..  trans-73.9140.3169.8-61.3-170.2165.600110.7K4 P5K4-E29 HydrophobicContact CD-CB 4.09Å; K4-E29 WeakPolarHBondContact CE-OE2 3.45Å; K4-E29 IonicContact NZ-OE2 2.9Å; K4-E29 PolarHBondContact NZ-OE2 2.88Å; P5-E29 WeakPolarHBondContact CD-O 3.34Å
30F98.7Very high97.9Very high11 Ų1147.5 Ų47.55%0.04825%0.254CS..  trans-139.9155.6-179.159.2-94.3000111.6P5 L7 R20 L23 E32 F197 Q203P5-F30 HydrophobicContact CB-CB 4.24Å; P5-F30 WeakPolarHBondContact O-CA 3.43Å; P5-F30 WeakPolarHBondContact O-CB 3.44Å; L7-F30 HydrophobicContact CD1-CB 4.06Å; L7-F30 HydrophobicContact CD1-CD2 4.17Å; L7-F30 HydrophobicContact CD1-CG 4.3Å; L7-F30 HydrophobicContact CD2-CD2 3.93Å; L7-F30 HydrophobicContact CD2-CE2 4.08Å; R20-F30 HydrophobicContact CB-CE2 4.41Å; R20-F30 HydrophobicContact CB-CZ 3.85Å; R20-F30 HydrophobicContact CG-CE2 4.03Å; R20-F30 HydrophobicContact CG-CZ 3.98Å; L23-F30 HydrophobicContact CB-CD1 3.71Å; L23-F30 HydrophobicContact CB-CE1 4.02Å; L23-F30 HydrophobicContact CD1-CB 4.08Å; L23-F30 HydrophobicContact CD1-CD1 3.92Å; L23-F30 HydrophobicContact CD1-CG 4.05Å; L23-F30 HydrophobicContact CG-CD1 4.45Å; F30-E32 HydrophobicContact CD2-CG 4.14Å; F30-E32 HydrophobicContact CE2-CG 4.1Å; F30-F197 HydrophobicContact CZ-CE2 4.4Å; F30-Q203 HydrophobicContact CE2-CB 3.89Å; F30-Q203 VanDerWaalsContact CE2-CD 3.48Å; F30-Q203 HydrophobicContact CE2-CG 4.28Å; F30-Q203 VanDerWaalsContact CE2-NE2 3.27Å; F30-Q203 HydrophobicContact CZ-CB 3.81Å; F30-Q203 HydrophobicContact CZ-CG 4.49Å; F30-Q203 PolarHBondContact O-NE2 2.89Å; F30-Q203 VanDerWaalsContact O-NE2 3.09Å; F30-Q203 PolarHBondContact O-OE1 3.31Å
31E98.4Very high97.8Very high104 Ų10448 Ų4849%0.48626%0.256SS..EExtended strand (participates in β ladder)trans-103.3156.5174.4-65.7179.1-172.900110.3K4 P5 V6 L7K4-E31 HydrophobicContact CB-CG 4.44Å; K4-E31 HydrophobicContact CD-CG 4.35Å; P5-E31 PolarHBondContact O-N 2.97Å; V6-E31 WeakPolarHBondContact CA-O 3.48Å; V6-E31 HydrophobicContact CG2-CB 4.42Å; L7-E31 PolarHBondContact N-O 2.85Å
32E98.5Very high97.7Very high43 Ų4351.4 Ų51.420%0.20127%0.273CS..EExtended strand (participates in β ladder)trans-124.9127.2175.3-63.9-172-10500110L7 R20 F30 L34 Q203 K205L7-E32 HydrophobicContact CB-CG 4.23Å; L7-E32 WeakPolarHBondContact O-CA 3.36Å; R20-E32 IonicContact CZ-OE2 2.65Å; R20-E32 IonicContact NE-OE1 3.43Å; R20-E32 IonicContact NE-OE2 3.97Å; R20-E32 PolarHBondContact NE-OE2 2.69Å; R20-E32 IonicContact NH2-OE2 2.69Å; R20-E32 PolarHBondContact NH2-OE2 2.98Å; F30-E32 HydrophobicContact CD2-CG 4.14Å; F30-E32 HydrophobicContact CE2-CG 4.1Å; E32-L34 HydrophobicContact CB-CD2 4.18Å; E32-Q203 PolarHBondContact OE1-NE2 3.42Å; E32-K205 IonicContact OE1-NZ 3.57Å; E32-K205 PolarHBondContact OE1-NZ 3.35Å; E32-K205 IonicContact OE2-NZ 2.75Å; E32-K205 PolarHBondContact OE2-NZ 3.45Å
33K98.1Very high97.7Very high107 Ų10757.6 Ų57.647%0.46530%0.3SS..EExtended strand (participates in β ladder)trans-103104.3167.6-75.6178.4-176.1164.80107.8V6 L7 H8 E59V6-K33 HydrophobicContact CG1-CB 4.34Å; V6-K33 HydrophobicContact CG1-CD 3.74Å; V6-K33 HydrophobicContact CG1-CG 3.77Å; L7-K33 PolarHBondContact O-N 3.33Å; H8-K33 VanDerWaalsContact CE1-CD 3.48Å; H8-K33 WeakPolarHBondContact CE1-CD 3.38Å; K33-E59 IonicContact NZ-OE1 3.79Å; K33-E59 PolarHBondContact NZ-OE1 3.31Å
34L97.4Very high97.6Very high63 Ų6358.5 Ų58.533%0.3331%0.305SS..EExtended strand (participates in β ladder)trans-78.9130-172.9-59178000111Y9 N11 E32 Q36Y9-L34 CarbonylContact O-C 3.57Å; Y9-L34 VanDerWaalsContact O-CA 3.27Å; Y9-L34 WeakPolarHBondContact O-CA 3.4Å; N11-L34 HydrophobicContact CB-CD1 4.08Å; N11-L34 HydrophobicContact CB-CD2 4.26Å; E32-L34 HydrophobicContact CB-CD2 4.18Å; L34-Q36 HydrophobicContact CB-CG 4.33Å
35I97.3Very high97.6Very high8 Ų860.5 Ų60.54%0.04131%0.311CS..  trans-83.1112.6169.4-62.9166000107.1Y9 F10 D40 L41 L44 V55 V219 F220Y9-I35 PolarHBondContact O-N 3Å; F10-I35 WeakPolarHBondContact CB-O 3.34Å; I35-D40 HydrophobicContact CG2-CB 4.06Å; I35-L41 HydrophobicContact CD1-CD1 4.35Å; I35-L41 HydrophobicContact CG2-CB 4.07Å; I35-L44 HydrophobicContact CD1-CD1 3.72Å; I35-L44 HydrophobicContact CG1-CD1 3.93Å; I35-V55 HydrophobicContact CD1-CB 4.5Å; I35-V55 HydrophobicContact CD1-CG1 3.79Å; I35-V55 HydrophobicContact CD1-CG2 4.14Å; I35-V219 HydrophobicContact CG2-CG1 3.71Å; I35-F220 HydrophobicContact CG2-CZ 4.48Å
36Q94.7Very high97.5Very high156 Ų15668.1 Ų68.173%0.72934%0.342SS*.  trans-107.6-23.7-174.6-61-174.9-44.400112.4L34 D40L34-Q36 HydrophobicContact CB-CG 4.33Å; Q36-D40 PolarHBondContact N-OD2 2.89Å
37S95.8Very high97.5Very high30 Ų3071.2 Ų71.221%0.2135%0.354CS..SBendtrans-137.4165.6179.287.40000113.4E39 D40 L41S37-E39 WeakPolarHBondContact CB-OE2 3.45Å; S37-E39 PolarHBondContact O-N 2.92Å; S37-E39 PolarHBondContact OG-N 3.39Å; S37-E39 PolarHBondContact OG-OE2 3.01Å; S37-D40 PolarHBondContact N-OD2 3.44Å; S37-D40 VanDerWaalsContact N-OD2 3.11Å; S37-D40 WeakPolarHBondContact O-CB 3.4Å; S37-D40 PolarHBondContact O-N 3Å; S37-D40 PolarHBondContact OG-N 2.79Å; S37-L41 PolarHBondContact O-N 2.77Å
38P96.2Very high97.4Very high45 Ų4572 Ų7229%0.29236%0.363SS..Hα-helixtrans-55.1-35.2170.2-24.334000112.9L41 E42P38-L41 PolarHBondContact O-N 3.05Å; P38-E42 WeakPolarHBondContact O-CG 3.48Å; P38-E42 PolarHBondContact O-N 2.86Å
39E97.2Very high97.3Very high128 Ų12872 Ų7260%0.59836%0.362SS*.Hα-helixtrans-65.7-37.4179.7-60.569.1-148.200112.2S37 L41 E42 K43S37-E39 WeakPolarHBondContact CB-OE2 3.45Å; S37-E39 PolarHBondContact O-N 2.92Å; S37-E39 PolarHBondContact OG-N 3.39Å; S37-E39 PolarHBondContact OG-OE2 3.01Å; E39-L41 VanDerWaalsContact C-N 3.34Å; E39-E42 PolarHBondContact O-N 3.44Å; E39-K43 WeakPolarHBondContact O-CB 3.4Å; E39-K43 PolarHBondContact O-N 3.48Å
40D97.3Very high97.3Very high59 Ų5967 Ų6732%0.31634%0.338SS..Hα-helixtrans-60.5-45.4173.8-67.9-29.7000111.3I35 Q36 S37 K43 L44I35-D40 HydrophobicContact CG2-CB 4.06Å; Q36-D40 PolarHBondContact N-OD2 2.89Å; S37-D40 PolarHBondContact N-OD2 3.44Å; S37-D40 VanDerWaalsContact N-OD2 3.11Å; S37-D40 WeakPolarHBondContact O-CB 3.4Å; S37-D40 PolarHBondContact O-N 3Å; S37-D40 PolarHBondContact OG-N 2.79Å; D40-K43 PolarHBondContact O-N 3.05Å; D40-L44 PolarHBondContact O-N 3.45Å; D40-L44 VanDerWaalsContact O-N 3.11Å
41L97.4Very high97.3Very high10 Ų1073.6 Ų73.65%0.05237%0.371CS..Hα-helixtrans-65.4-45178.2179.660.7000111.1I35 S37 P38 E39 K43 L44 K45 L50 V219 F220I35-L41 HydrophobicContact CD1-CD1 4.35Å; I35-L41 HydrophobicContact CG2-CB 4.07Å; S37-L41 PolarHBondContact O-N 2.77Å; P38-L41 PolarHBondContact O-N 3.05Å; E39-L41 VanDerWaalsContact C-N 3.34Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 3.37Å; L41-L44 PolarHBondContact O-N 3.48Å; L41-K45 WeakPolarHBondContact O-CG 3.42Å; L41-K45 PolarHBondContact O-N 3.32Å; L41-K45 VanDerWaalsContact O-N 3.1Å; L41-L50 HydrophobicContact CD1-CD1 3.89Å; L41-V219 HydrophobicContact CB-CG1 4.38Å; L41-V219 HydrophobicContact CD2-CG1 4.27Å; L41-F220 HydrophobicContact CD1-CE1 4.34Å; L41-F220 HydrophobicContact CD2-CD1 3.8Å; L41-F220 HydrophobicContact CD2-CE1 3.84Å
42E97.4Very high97.2Very high78 Ų7873.6 Ų73.636%0.36437%0.37SS..Hα-helixtrans-63.3-34.9177.3-72.7-58.4124.100112.3P38 E39 K45 K46P38-E42 WeakPolarHBondContact O-CG 3.48Å; P38-E42 PolarHBondContact O-N 2.86Å; E39-E42 PolarHBondContact O-N 3.44Å; E42-K45 PolarHBondContact O-N 2.98Å; E42-K45 IonicContact OE1-NZ 2.73Å; E42-K45 PolarHBondContact OE1-NZ 3.41Å; E42-K46 WeakPolarHBondContact O-CB 3.28Å; E42-K46 VanDerWaalsContact O-CG 3.31Å; E42-K46 WeakPolarHBondContact O-CG 2.93Å; E42-K46 PolarHBondContact O-N 2.92Å
43K97.9Very high97.2Very high130 Ų13076 Ų7657%0.56538%0.384SS*.Hα-helixtrans-62.2-47.9172.5-177.4178.8178.1-178.60111.4E39 D40 L41 K45 K46 D47E39-K43 WeakPolarHBondContact O-CB 3.4Å; E39-K43 PolarHBondContact O-N 3.48Å; D40-K43 PolarHBondContact O-N 3.05Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 3.37Å; K43-K45 VanDerWaalsContact C-N 3.27Å; K43-K45 PolarHBondContact O-N 3.33Å; K43-K46 PolarHBondContact O-N 3.04Å; K43-D47 WeakPolarHBondContact O-CB 3.4Å; K43-D47 VanDerWaalsContact O-CG 3.27Å; K43-D47 PolarHBondContact O-N 3.41Å
44L97.6Very high97.1Very high19 Ų1976.5 Ų76.510%0.09939%0.388CS..Hα-helixtrans-58.7-38.2177.6-71.8174.7000112.6H8 I35 D40 L41 N49 L50H8-L44 HydrophobicContact CB-CD1 4.41Å; I35-L44 HydrophobicContact CD1-CD1 3.72Å; I35-L44 HydrophobicContact CG1-CD1 3.93Å; D40-L44 PolarHBondContact O-N 3.45Å; D40-L44 VanDerWaalsContact O-N 3.11Å; L41-L44 PolarHBondContact O-N 3.48Å; L44-N49 HydrophobicContact CD2-CB 4.31Å; L44-N49 WeakPolarHBondContact O-CB 3.28Å; L44-N49 PolarHBondContact O-N 3.43Å; L44-L50 HydrophobicContact CB-CD1 3.81Å; L44-L50 HydrophobicContact CB-CD2 4.41Å; L44-L50 HydrophobicContact CB-CG 3.95Å
45K97.5Very high97.2Very high56 Ų5674.6 Ų74.624%0.24338%0.379CS..Hα-helixtrans-65.4-52.1174.3-65.2177.9-171.9167.50111.8L41 E42 K43 D47 G48 L50 D53L41-K45 WeakPolarHBondContact O-CG 3.42Å; L41-K45 PolarHBondContact O-N 3.32Å; L41-K45 VanDerWaalsContact O-N 3.1Å; E42-K45 PolarHBondContact O-N 2.98Å; E42-K45 IonicContact OE1-NZ 2.73Å; E42-K45 PolarHBondContact OE1-NZ 3.41Å; K43-K45 VanDerWaalsContact C-N 3.27Å; K43-K45 PolarHBondContact O-N 3.33Å; K45-D47 VanDerWaalsContact C-N 3.3Å; K45-D47 PolarHBondContact O-N 3.41Å; K45-G48 PolarHBondContact O-N 3.07Å; K45-L50 HydrophobicContact CG-CD1 3.99Å; K45-D53 HydrophobicContact CD-CB 3.94Å; K45-D53 VanDerWaalsContact CE-O 3.28Å; K45-D53 WeakPolarHBondContact CE-O 3.41Å; K45-D53 HydrophobicContact CG-CB 4.08Å
46K97.5Very high97.3Very high168 Ų16874.4 Ų74.473%0.7338%0.379SS*.Hα-helixtrans-62.1-34.9-177.9-73.5176.8-177.41780113.3E42 K43 G48E42-K46 WeakPolarHBondContact O-CB 3.28Å; E42-K46 VanDerWaalsContact O-CG 3.31Å; E42-K46 WeakPolarHBondContact O-CG 2.93Å; E42-K46 PolarHBondContact O-N 2.92Å; K43-K46 PolarHBondContact O-N 3.04Å; K46-G48 PolarHBondContact O-N 2.68Å
47D97.6Very high97.4Very high97 Ų9767 Ų6752%0.51934%0.344SS..THydrogen-bonded Turntrans-73.4-1.3176.2-69.6-8.4000112.7K43 K45 N49K43-D47 WeakPolarHBondContact O-CB 3.4Å; K43-D47 VanDerWaalsContact O-CG 3.27Å; K43-D47 PolarHBondContact O-N 3.41Å; K45-D47 VanDerWaalsContact C-N 3.3Å; K45-D47 PolarHBondContact O-N 3.41Å; D47-N49 VanDerWaalsContact C-N 3.28Å; D47-N49 VanDerWaalsContact CB-ND2 3.34Å; D47-N49 WeakPolarHBondContact CB-ND2 3.32Å; D47-N49 PolarHBondContact O-N 2.89Å
48G96.4Very high97.6Very high63 Ų6365.6 Ų65.665%0.64933%0.334SS*.THydrogen-bonded Turntrans71.121.3-179.600000113.7K45 K46K45-G48 PolarHBondContact O-N 3.07Å; K46-G48 PolarHBondContact O-N 2.68Å
49N96.8Very high97.7Very high23 Ų2366.1 Ų66.112%0.12333%0.333CS..  trans-80.2-21.1-176.4-63.2-40000113.2L44 D47 M57 K64L44-N49 HydrophobicContact CD2-CB 4.31Å; L44-N49 WeakPolarHBondContact O-CB 3.28Å; L44-N49 PolarHBondContact O-N 3.43Å; D47-N49 VanDerWaalsContact C-N 3.28Å; D47-N49 VanDerWaalsContact CB-ND2 3.34Å; D47-N49 WeakPolarHBondContact CB-ND2 3.32Å; D47-N49 PolarHBondContact O-N 2.89Å; N49-M57 HydrophobicContact CB-CE 4.11Å; N49-K64 HydrophobicContact CB-CD 4.31Å; N49-K64 WeakPolarHBondContact OD1-CE 3.5Å; N49-K64 PolarHBondContact OD1-NZ 2.94Å
50L97.9Very high97.8Very high8 Ų860.3 Ų60.34%0.04231%0.306CS..  trans-113.7103.3-172.7-54.4-176.2000110.2L41 L44 K45 F52 D53 V55 M57L41-L50 HydrophobicContact CD1-CD1 3.89Å; L44-L50 HydrophobicContact CB-CD1 3.81Å; L44-L50 HydrophobicContact CB-CD2 4.41Å; L44-L50 HydrophobicContact CB-CG 3.95Å; K45-L50 HydrophobicContact CG-CD1 3.99Å; L50-F52 PolarHBondContact O-N 3.31Å; L50-D53 PolarHBondContact O-N 3.36Å; L50-D53 VanDerWaalsContact O-N 3.14Å; L50-V55 HydrophobicContact CD1-CG1 4.14Å; L50-V55 HydrophobicContact CD2-CG1 3.88Å; L50-M57 HydrophobicContact CD2-CB 3.63Å; L50-M57 HydrophobicContact CD2-CE 4.26Å; L50-M57 HydrophobicContact CD2-CG 3.96Å
51M97.8Very high97.7Very high151 Ų15159.8 Ų59.874%0.74430%0.303SS*.THydrogen-bonded Turntrans-54.2-32-176.8-176.1175.9-17500114.1
52F98Very high97.7Very high103 Ų10363.6 Ų63.645%0.45235%0.345SS..THydrogen-bonded Turntrans-125.426.8-179.4-53.3-67.1000112.1L50 Q54 Q67L50-F52 PolarHBondContact O-N 3.31Å; F52-Q54 VanDerWaalsContact O-CG 3.32Å; F52-Q54 WeakPolarHBondContact O-CG 3.44Å; F52-Q54 PolarHBondContact O-N 2.82Å; F52-Q67 HydrophobicContact CD2-CG 4.05Å; F52-Q67 HydrophobicContact CE2-CG 3.99Å
53D97.1Very high97.7Very high94 Ų9463.3 Ų63.350%0.50334%0.344SS..SBendtrans55.721.6-177.9-64.4-38.3000115.1K45 L50K45-D53 HydrophobicContact CD-CB 3.94Å; K45-D53 VanDerWaalsContact CE-O 3.28Å; K45-D53 WeakPolarHBondContact CE-O 3.41Å; K45-D53 HydrophobicContact CG-CB 4.08Å; L50-D53 PolarHBondContact O-N 3.36Å; L50-D53 VanDerWaalsContact O-N 3.14Å
54Q97.4Very high97.7Very high117 Ų11762.2 Ų62.255%0.54734%0.339SS..  trans-129.4151.3-173.1-74174.1-1700111.4F52F52-Q54 VanDerWaalsContact O-CG 3.32Å; F52-Q54 WeakPolarHBondContact O-CG 3.44Å; F52-Q54 PolarHBondContact O-N 2.82Å
55V98.3Very high97.8Very high23 Ų2363.1 Ų63.114%0.13934%0.344CS..SBendtrans-109.9158.3164.5-65.50000109.2Y9 I35 L50 M57 F220Y9-V55 HydrophobicContact CD2-CB 3.99Å; Y9-V55 HydrophobicContact CD2-CG2 3.71Å; Y9-V55 HydrophobicContact CE2-CB 4.4Å; Y9-V55 HydrophobicContact CE2-CG2 3.89Å; I35-V55 HydrophobicContact CD1-CB 4.5Å; I35-V55 HydrophobicContact CD1-CG1 3.79Å; I35-V55 HydrophobicContact CD1-CG2 4.14Å; L50-V55 HydrophobicContact CD1-CG1 4.14Å; L50-V55 HydrophobicContact CD2-CG1 3.88Å; V55-M57 HydrophobicContact CG1-CB 4.39Å; V55-F220 HydrophobicContact CG2-CE1 3.69Å; V55-F220 HydrophobicContact CG2-CZ 4.02Å
56P98.6Very high97.8Very high5 Ų561.1 Ų61.13%0.03234%0.338CS..  cis-60.1140.39.4-3141.2000116Y9 R15 M16 I19 A66 T68 I71Y9-P56 HydrophobicContact CD2-CB 4.45Å; Y9-P56 HydrophobicContact CD2-CG 4.05Å; Y9-P56 HydrophobicContact CE2-CG 3.77Å; R15-P56 HydrophobicContact CB-CG 3.73Å; M16-P56 HydrophobicContact CB-CG 4.42Å; M16-P56 HydrophobicContact CE-CB 3.51Å; M16-P56 HydrophobicContact CE-CG 4.33Å; M16-P56 HydrophobicContact SD-CB 4.05Å; I19-P56 HydrophobicContact CD1-CB 4.03Å; I19-P56 HydrophobicContact CD1-CG 4.46Å; P56-A66 WeakPolarHBondContact O-CA 3.46Å; P56-T68 WeakPolarHBondContact CG-OG1 3.27Å; P56-I71 HydrophobicContact CB-CD1 4Å
57M98.7Very high97.9Very high1 Ų157.6 Ų57.61%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-129.9139.6163.6-176.2-84.2-74.900109.8H8 N49 L50 V55 E59 K64 L65H8-M57 HydrophobicContact CB-CB 4.31Å; H8-M57 HydrophobicContact CB-CE 3.95Å; H8-M57 WeakPolarHBondContact CD2-CE 3.4Å; H8-M57 VanDerWaalsContact CG-CE 3.44Å; H8-M57 PolarHBondContact N-O 2.83Å; H8-M57 PolarHBondContact O-N 3.35Å; N49-M57 HydrophobicContact CB-CE 4.11Å; L50-M57 HydrophobicContact CD2-CB 3.63Å; L50-M57 HydrophobicContact CD2-CE 4.26Å; L50-M57 HydrophobicContact CD2-CG 3.96Å; V55-M57 HydrophobicContact CG1-CB 4.39Å; M57-E59 HydrophobicContact CE-CG 4.39Å; M57-E59 HydrophobicContact SD-CG 3.97Å; M57-K64 HydrophobicContact SD-CB 4.15Å; M57-K64 HydrophobicContact SD-CG 4.43Å; M57-L65 CarbonylContact C-O 3.52Å; M57-L65 VanDerWaalsContact CA-O 3.27Å; M57-L65 WeakPolarHBondContact CA-O 3.14Å
58V98.8Very high97.9Very high0 Ų053.8 Ų53.80%030%0.304CS..EExtended strand (participates in β ladder)trans-128.2124.9177.8177.60000110.2P5 V6 L7 M16 I19 I60 L65 I71P5-V58 HydrophobicContact CB-CG1 4.22Å; V6-V58 CarbonylContact O-C 3.54Å; V6-V58 WeakPolarHBondContact O-CA 3.23Å; L7-V58 HydrophobicContact CD1-CG1 4.08Å; L7-V58 HydrophobicContact CD1-CG2 4.12Å; L7-V58 HydrophobicContact CG-CG2 3.9Å; M16-V58 HydrophobicContact CE-CG2 4.16Å; M16-V58 HydrophobicContact SD-CG2 4.22Å; I19-V58 HydrophobicContact CG2-CG2 4.23Å; V58-I60 HydrophobicContact CG1-CB 4.08Å; V58-I60 HydrophobicContact CG1-CG2 4.13Å; V58-L65 PolarHBondContact N-O 3.5Å; V58-L65 PolarHBondContact O-N 3.22Å; V58-I71 HydrophobicContact CB-CG2 4.11Å; V58-I71 HydrophobicContact CG2-CD1 4.15Å; V58-I71 HydrophobicContact CG2-CG2 3.76Å
59E98.5Very high98Very high56 Ų5656 Ų5626%0.26229%0.293SS..EExtended strand (participates in β ladder)trans-80.8117.1165.7-50.6-175.4-121.100108.3P5 V6 H8 K33 M57 M63 K64P5-E59 CarbonylContact C-O 3.56Å; P5-E59 VanDerWaalsContact CA-O 3.24Å; P5-E59 WeakPolarHBondContact CA-O 3.34Å; V6-E59 HydrophobicContact CB-CB 4.04Å; V6-E59 HydrophobicContact CB-CG 4.28Å; V6-E59 HydrophobicContact CG2-CB 4.48Å; V6-E59 PolarHBondContact N-O 3.45Å; V6-E59 PolarHBondContact O-N 3.29Å; H8-E59 IonicContact CD2-OE1 3.98Å; H8-E59 IonicContact CE1-OE1 3.13Å; H8-E59 PolarHBondContact CE1-OE1 3.27Å; H8-E59 IonicContact NE2-OE1 3.9Å; H8-E59 PolarHBondContact NE2-OE1 3.4Å; K33-E59 IonicContact NZ-OE1 3.79Å; K33-E59 PolarHBondContact NZ-OE1 3.31Å; M57-E59 HydrophobicContact CE-CG 4.39Å; M57-E59 HydrophobicContact SD-CG 3.97Å; E59-M63 CarbonylContact C-O 3.57Å; E59-M63 VanDerWaalsContact CA-O 3.28Å; E59-M63 WeakPolarHBondContact CA-O 3.29Å; E59-K64 HydrophobicContact CG-CG 4.38Å
60I98.5Very high98.1Very high6 Ų657.1 Ų57.13%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-153.3134.8179.2-172169000110.8P5 V58 G62 M63 L65 Y74 I75 K78P5-I60 HydrophobicContact CB-CB 4.41Å; P5-I60 HydrophobicContact CB-CD1 4.25Å; P5-I60 HydrophobicContact CB-CG1 4.38Å; P5-I60 HydrophobicContact CG-CD1 3.82Å; P5-I60 HydrophobicContact CG-CG1 4.11Å; V58-I60 HydrophobicContact CG1-CB 4.08Å; V58-I60 HydrophobicContact CG1-CG2 4.13Å; I60-G62 PolarHBondContact O-N 2.61Å; I60-G62 VanDerWaalsContact O-N 3.13Å; I60-M63 PolarHBondContact N-O 3.37Å; I60-M63 WeakPolarHBondContact O-CB 3.36Å; I60-M63 PolarHBondContact O-N 3.24Å; I60-L65 HydrophobicContact CG2-CD1 3.89Å; I60-L65 HydrophobicContact CG2-CG 4.41Å; I60-Y74 HydrophobicContact CD1-CD1 4.2Å; I60-Y74 HydrophobicContact CD1-CE1 3.95Å; I60-Y74 HydrophobicContact CG1-CE1 4.1Å; I60-Y74 HydrophobicContact CG2-CD1 4.03Å; I60-Y74 HydrophobicContact CG2-CE1 3.98Å; I60-I75 HydrophobicContact CD1-CG1 4.38Å; I60-K78 HydrophobicContact CD1-CD 4.45Å
61D97.2Very high98.2Very high48 Ų4856.7 Ų56.726%0.25730%0.303SS..THydrogen-bonded Turntrans49.338.7178.7-60-44.2000114.3S2 M63 Y74 K78S2-D61 VanDerWaalsContact CB-OD1 3.25Å; S2-D61 WeakPolarHBondContact CB-OD1 3.44Å; S2-D61 PolarHBondContact OG-OD1 3.2Å; D61-M63 VanDerWaalsContact C-N 3.27Å; D61-M63 HydrophobicContact CB-CE 4.41Å; D61-M63 PolarHBondContact O-N 3.05Å; D61-Y74 WeakPolarHBondContact CB-OH 3.19Å; D61-Y74 WeakPolarHBondContact OD2-CE1 3.47Å; D61-Y74 PolarHBondContact OD2-OH 3.22Å; D61-K78 IonicContact OD1-NZ 3.04Å; D61-K78 PolarHBondContact OD1-NZ 3.1Å; D61-K78 WeakPolarHBondContact OD2-CD 3.48Å; D61-K78 VanDerWaalsContact OD2-CE 3.25Å; D61-K78 WeakPolarHBondContact OD2-CE 3.47Å; D61-K78 IonicContact OD2-NZ 2.7Å; D61-K78 PolarHBondContact OD2-NZ 2.72Å
62G96.4Very high98.2Very high90 Ų9049.5 Ų49.593%0.92827%0.268SS*.THydrogen-bonded Turntrans79.71.2-179.500000115I60I60-G62 PolarHBondContact O-N 2.61Å; I60-G62 VanDerWaalsContact O-N 3.13Å
63M97.7Very high98.2Very high71 Ų7147.4 Ų47.435%0.3526%0.261SS..EExtended strand (participates in β ladder)trans-102.4153.9176.6-58.1179.4-73.200111.6E59 I60 D61 L65 Y74E59-M63 CarbonylContact C-O 3.57Å; E59-M63 VanDerWaalsContact CA-O 3.28Å; E59-M63 WeakPolarHBondContact CA-O 3.29Å; I60-M63 PolarHBondContact N-O 3.37Å; I60-M63 WeakPolarHBondContact O-CB 3.36Å; I60-M63 PolarHBondContact O-N 3.24Å; D61-M63 VanDerWaalsContact C-N 3.27Å; D61-M63 HydrophobicContact CB-CE 4.41Å; D61-M63 PolarHBondContact O-N 3.05Å; M63-L65 HydrophobicContact CB-CD2 4.18Å; M63-L65 HydrophobicContact CB-CG 4.12Å; M63-L65 HydrophobicContact CE-CD1 4.22Å; M63-L65 HydrophobicContact SD-CD2 4.19Å; M63-Y74 HydrophobicContact CE-CD1 4.36Å; M63-Y74 HydrophobicContact CE-CD2 4Å; M63-Y74 HydrophobicContact CE-CE1 3.83Å; M63-Y74 HydrophobicContact CE-CE2 3.44Å; M63-Y74 VanDerWaalsContact CE-CE2 3.44Å; M63-Y74 HydrophobicContact CE-CG 4.43Å
64K98Very high98.3Very high108 Ų10846.2 Ų46.247%0.4725%0.25SS..EExtended strand (participates in β ladder)trans-110.192.5166.3-65.5178.1-177.1165.80108.3N49 M57 E59N49-K64 HydrophobicContact CB-CD 4.31Å; N49-K64 WeakPolarHBondContact OD1-CE 3.5Å; N49-K64 PolarHBondContact OD1-NZ 2.94Å; M57-K64 HydrophobicContact SD-CB 4.15Å; M57-K64 HydrophobicContact SD-CG 4.43Å; E59-K64 HydrophobicContact CG-CG 4.38Å
65L98.7Very high98.4Very high38 Ų3840.7 Ų40.720%0.19923%0.225CC..EExtended strand (participates in β ladder)trans-88.9121.8-176.2-65.1-179.4000110.2M57 V58 I60 M63 I71 Y74M57-L65 CarbonylContact C-O 3.52Å; M57-L65 VanDerWaalsContact CA-O 3.27Å; M57-L65 WeakPolarHBondContact CA-O 3.14Å; V58-L65 PolarHBondContact N-O 3.5Å; V58-L65 PolarHBondContact O-N 3.22Å; I60-L65 HydrophobicContact CG2-CD1 3.89Å; I60-L65 HydrophobicContact CG2-CG 4.41Å; M63-L65 HydrophobicContact CB-CD2 4.18Å; M63-L65 HydrophobicContact CB-CG 4.12Å; M63-L65 HydrophobicContact CE-CD1 4.22Å; M63-L65 HydrophobicContact SD-CD2 4.19Å; L65-I71 HydrophobicContact CB-CG1 3.78Å; L65-I71 WeakPolarHBondContact O-CD1 3.36Å; L65-Y74 HydrophobicContact CD1-CD1 4Å; L65-Y74 HydrophobicContact CD1-CG 3.87Å
66A98.2Very high98.4Very high14 Ų1439.6 Ų39.612%0.11622%0.218CC..EExtended strand (participates in β ladder)trans-99.4175.6165.300000110.3P56P56-A66 WeakPolarHBondContact O-CA 3.46Å
67Q98.5Very high98.4Very high93 Ų9343 Ų4344%0.43524%0.238SC..SBendtrans68.5111.9-177-62.6-68.9-9.700113.9F52 R69 A70 I71F52-Q67 HydrophobicContact CD2-CG 4.05Å; F52-Q67 HydrophobicContact CE2-CG 3.99Å; Q67-R69 VanDerWaalsContact C-N 3.27Å; Q67-R69 PolarHBondContact O-N 3.04Å; Q67-R69 VanDerWaalsContact O-N 3.1Å; Q67-A70 HydrophobicContact CB-CB 4.24Å; Q67-A70 PolarHBondContact O-N 3.11Å; Q67-I71 WeakPolarHBondContact O-CG1 3.42Å; Q67-I71 PolarHBondContact O-N 3.08Å; Q67-I71 VanDerWaalsContact O-N 3.07Å
68T98.7Very high98.4Very high17 Ų1746.8 Ų46.810%0.10426%0.255CS..Hα-helixtrans-47.8-46.1-175.8-55.70000113.2R15 I19 P56 I71 L72R15-T68 WeakPolarHBondContact O-CG2 3.4Å; I19-T68 HydrophobicContact CD1-CG2 4.22Å; I19-T68 HydrophobicContact CG1-CG2 4.5Å; P56-T68 WeakPolarHBondContact CG-OG1 3.27Å; T68-I71 PolarHBondContact O-N 3.28Å; T68-L72 HydrophobicContact CG2-CD1 3.92Å; T68-L72 HydrophobicContact CG2-CG 4.41Å; T68-L72 VanDerWaalsContact O-CG 3.27Å; T68-L72 WeakPolarHBondContact O-CG 3.43Å; T68-L72 PolarHBondContact O-N 3.22Å
69R98.6Very high98.4Very high109 Ų10950 Ų5041%0.41127%0.268SS..Hα-helixtrans-64.3-44-178.9-70.4176.9170.783.8-3.3112.4Q67 L72 N73 E97 L100Q67-R69 VanDerWaalsContact C-N 3.27Å; Q67-R69 PolarHBondContact O-N 3.04Å; Q67-R69 VanDerWaalsContact O-N 3.1Å; R69-L72 PolarHBondContact O-N 2.89Å; R69-N73 WeakPolarHBondContact O-CB 3.25Å; R69-N73 PolarHBondContact O-N 2.88Å; R69-N73 PolarHBondContact O-OD1 2.86Å; R69-E97 WeakPolarHBondContact CD-OE1 3.29Å; R69-E97 IonicContact CZ-OE1 3.09Å; R69-E97 IonicContact CZ-OE2 3.71Å; R69-E97 VanDerWaalsContact CZ-OE2 3.27Å; R69-E97 VanDerWaalsContact NE-CD 3.33Å; R69-E97 IonicContact NE-OE1 2.94Å; R69-E97 PolarHBondContact NE-OE1 2.69Å; R69-E97 IonicContact NE-OE2 3.37Å; R69-E97 PolarHBondContact NE-OE2 2.94Å; R69-E97 IonicContact NH2-OE1 3.52Å; R69-E97 IonicContact NH2-OE2 2.96Å; R69-E97 PolarHBondContact NH2-OE2 3.25Å; R69-L100 HydrophobicContact CG-CD1 4.13Å
70A98.8Very high98.3Very high47 Ų4751.6 Ų51.639%0.38828%0.278SS..Hα-helixtrans-63.5-43.7178.400000111.4Q67 N73 Y74Q67-A70 HydrophobicContact CB-CB 4.24Å; Q67-A70 PolarHBondContact O-N 3.11Å; A70-N73 PolarHBondContact O-N 3.3Å; A70-Y74 PolarHBondContact O-N 2.91Å
71I98.9Very high98.4Very high0 Ų051.9 Ų51.90%028%0.279CS..Hα-helixtrans-59.6-49.5176.8-62.2159000110.7I19 P56 V58 L65 Q67 T68 N73 Y74 I75I19-I71 HydrophobicContact CD1-CB 4.05Å; I19-I71 HydrophobicContact CD1-CD1 3.94Å; I19-I71 HydrophobicContact CD1-CG2 3.72Å; I19-I71 HydrophobicContact CG1-CB 4.5Å; I19-I71 HydrophobicContact CG1-CG2 3.94Å; I19-I71 HydrophobicContact CG2-CG2 3.93Å; P56-I71 HydrophobicContact CB-CD1 4Å; V58-I71 HydrophobicContact CB-CG2 4.11Å; V58-I71 HydrophobicContact CG2-CD1 4.15Å; V58-I71 HydrophobicContact CG2-CG2 3.76Å; L65-I71 HydrophobicContact CB-CG1 3.78Å; L65-I71 WeakPolarHBondContact O-CD1 3.36Å; Q67-I71 WeakPolarHBondContact O-CG1 3.42Å; Q67-I71 PolarHBondContact O-N 3.08Å; Q67-I71 VanDerWaalsContact O-N 3.07Å; T68-I71 PolarHBondContact O-N 3.28Å; I71-N73 VanDerWaalsContact C-N 3.35Å; I71-N73 PolarHBondContact O-N 2.86Å; I71-Y74 PolarHBondContact O-N 3.5Å; I71-I75 HydrophobicContact CG2-CD1 3.7Å; I71-I75 WeakPolarHBondContact O-CG1 3.39Å; I71-I75 PolarHBondContact O-N 3.33Å
72L98.9Very high98.4Very high0 Ų050.4 Ų50.40%027%0.27CS..Hα-helixtrans-62.7-40.2178.5-69.1170000112.3C18 I19 L22 T68 R69 Y74 I75 A76 R155C18-L72 HydrophobicContact CB-CD2 4.48Å; I19-L72 HydrophobicContact CB-CD2 4.4Å; I19-L72 HydrophobicContact CG1-CD2 3.74Å; I19-L72 HydrophobicContact CG1-CG 4.03Å; L22-L72 HydrophobicContact CB-CD2 4.23Å; L22-L72 HydrophobicContact CD2-CB 4.45Å; L22-L72 HydrophobicContact CD2-CD2 3.75Å; T68-L72 HydrophobicContact CG2-CD1 3.92Å; T68-L72 HydrophobicContact CG2-CG 4.41Å; T68-L72 VanDerWaalsContact O-CG 3.27Å; T68-L72 WeakPolarHBondContact O-CG 3.43Å; T68-L72 PolarHBondContact O-N 3.22Å; R69-L72 PolarHBondContact O-N 2.89Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; L72-Y74 PolarHBondContact O-N 2.93Å; L72-I75 PolarHBondContact O-N 3.44Å; L72-A76 VanDerWaalsContact O-CB 3.23Å; L72-A76 WeakPolarHBondContact O-CB 3.48Å; L72-A76 PolarHBondContact O-N 3.09Å; L72-R155 VanDerWaalsContact CB-NH2 3.35Å; L72-R155 PolarHBondContact O-NH1 3.48Å
73N98.7Very high98.5Very high58 Ų5846.2 Ų46.231%0.3123%0.227SC..Hα-helixtrans-61.9-43178.4-71.68.8000111.3R69 A70 I71 T77 Y82 R155R69-N73 WeakPolarHBondContact O-CB 3.25Å; R69-N73 PolarHBondContact O-N 2.88Å; R69-N73 PolarHBondContact O-OD1 2.86Å; A70-N73 PolarHBondContact O-N 3.3Å; I71-N73 VanDerWaalsContact C-N 3.35Å; I71-N73 PolarHBondContact O-N 2.86Å; N73-T77 WeakPolarHBondContact O-CB 3.21Å; N73-T77 PolarHBondContact O-N 2.81Å; N73-T77 PolarHBondContact O-OG1 3.31Å; N73-Y82 HydrophobicContact CB-CE1 3.88Å; N73-Y82 PolarHBondContact OD1-OH 3.21Å; N73-R155 PolarHBondContact OD1-NH1 3.01Å
74Y98.8Very high98.5Very high70 Ų7049.4 Ų49.428%0.27524%0.239SC..Hα-helixtrans-63.1-51.4176.9-176.4-100.5000111.6I60 D61 M63 L65 A70 I71 L72 A76 T77 K78I60-Y74 HydrophobicContact CD1-CD1 4.2Å; I60-Y74 HydrophobicContact CD1-CE1 3.95Å; I60-Y74 HydrophobicContact CG1-CE1 4.1Å; I60-Y74 HydrophobicContact CG2-CD1 4.03Å; I60-Y74 HydrophobicContact CG2-CE1 3.98Å; D61-Y74 WeakPolarHBondContact CB-OH 3.19Å; D61-Y74 WeakPolarHBondContact OD2-CE1 3.47Å; D61-Y74 PolarHBondContact OD2-OH 3.22Å; M63-Y74 HydrophobicContact CE-CD1 4.36Å; M63-Y74 HydrophobicContact CE-CD2 4Å; M63-Y74 HydrophobicContact CE-CE1 3.83Å; M63-Y74 HydrophobicContact CE-CE2 3.44Å; M63-Y74 VanDerWaalsContact CE-CE2 3.44Å; M63-Y74 HydrophobicContact CE-CG 4.43Å; L65-Y74 HydrophobicContact CD1-CD1 4Å; L65-Y74 HydrophobicContact CD1-CG 3.87Å; A70-Y74 PolarHBondContact O-N 2.91Å; I71-Y74 PolarHBondContact O-N 3.5Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; L72-Y74 PolarHBondContact O-N 2.93Å; Y74-A76 PolarHBondContact O-N 2.93Å; Y74-T77 PolarHBondContact O-N 3.22Å; Y74-K78 HydrophobicContact CE1-CD 4Å; Y74-K78 WeakPolarHBondContact O-CB 3.5Å; Y74-K78 PolarHBondContact O-N 3.42Å
75I98.8Very high98.5Very high1 Ų147.1 Ų47.11%0.00523%0.232CC..Hα-helixtrans-60.1-47.8-179.9-67.2166.5000110.6I19 L22 L23 I60 I71 L72 T77 K78 Y79I19-I75 HydrophobicContact CG2-CD1 3.78Å; L22-I75 HydrophobicContact CB-CG2 4.41Å; L22-I75 HydrophobicContact CD2-CB 3.99Å; L22-I75 HydrophobicContact CD2-CG2 3.65Å; L22-I75 HydrophobicContact CG-CG2 3.76Å; L23-I75 HydrophobicContact CD1-CD1 4.3Å; L23-I75 HydrophobicContact CD2-CD1 3.95Å; L23-I75 HydrophobicContact CD2-CG1 4.17Å; L23-I75 HydrophobicContact CD2-CG2 3.92Å; L23-I75 HydrophobicContact CG-CD1 3.97Å; L23-I75 HydrophobicContact CG-CG2 4.35Å; I60-I75 HydrophobicContact CD1-CG1 4.38Å; I71-I75 HydrophobicContact CG2-CD1 3.7Å; I71-I75 WeakPolarHBondContact O-CG1 3.39Å; I71-I75 PolarHBondContact O-N 3.33Å; L72-I75 PolarHBondContact O-N 3.44Å; I75-T77 VanDerWaalsContact C-N 3.31Å; I75-T77 PolarHBondContact O-N 3.2Å; I75-K78 PolarHBondContact O-N 2.68Å; I75-Y79 HydrophobicContact CG2-CD2 3.75Å; I75-Y79 HydrophobicContact CG2-CE2 3.99Å; I75-Y79 WeakPolarHBondContact O-CD2 3.48Å; I75-Y79 PolarHBondContact O-N 2.82Å; I75-Y79 VanDerWaalsContact O-N 3.09Å
76A98.8Very high98.5Very high0 Ų053.2 Ų53.20%026%0.262CS..Hα-helixtrans-62.8-37.8-179.600000112.4L22 L72 Y74 D80 L81 Y82 R155L22-A76 HydrophobicContact CD2-CB 4.16Å; L72-A76 VanDerWaalsContact O-CB 3.23Å; L72-A76 WeakPolarHBondContact O-CB 3.48Å; L72-A76 PolarHBondContact O-N 3.09Å; Y74-A76 PolarHBondContact O-N 2.93Å; A76-D80 PolarHBondContact O-N 3.41Å; A76-L81 HydrophobicContact CB-CB 4.32Å; A76-L81 PolarHBondContact O-N 3.33Å; A76-Y82 HydrophobicContact CB-CD1 3.76Å; A76-Y82 HydrophobicContact CB-CG 4.06Å; A76-Y82 PolarHBondContact O-N 3.12Å; A76-R155 HydrophobicContact CB-CB 4.04Å; A76-R155 HydrophobicContact CB-CG 4.22Å
77T98.6Very high98.5Very high75 Ų7560.8 Ų60.846%0.4629%0.292SS..Hα-helixtrans-67.8-48175.8-55.80000110.8N73 Y74 I75 Y79 D80 Y82N73-T77 WeakPolarHBondContact O-CB 3.21Å; N73-T77 PolarHBondContact O-N 2.81Å; N73-T77 PolarHBondContact O-OG1 3.31Å; Y74-T77 PolarHBondContact O-N 3.22Å; I75-T77 VanDerWaalsContact C-N 3.31Å; I75-T77 PolarHBondContact O-N 3.2Å; T77-Y79 VanDerWaalsContact C-N 3.25Å; T77-Y79 PolarHBondContact O-N 3.4Å; T77-D80 PolarHBondContact O-N 2.51Å; T77-Y82 WeakPolarHBondContact OG1-CD1 3.47Å
78K98.2Very high98.5Very high82 Ų8257.2 Ų57.236%0.35728%0.275SS..Hα-helixtrans-58.8-36.3-176.9-177.9-179.6174.283.40112.6I60 D61 Y74 I75I60-K78 HydrophobicContact CD1-CD 4.45Å; D61-K78 IonicContact OD1-NZ 3.04Å; D61-K78 PolarHBondContact OD1-NZ 3.1Å; D61-K78 WeakPolarHBondContact OD2-CD 3.48Å; D61-K78 VanDerWaalsContact OD2-CE 3.25Å; D61-K78 WeakPolarHBondContact OD2-CE 3.47Å; D61-K78 IonicContact OD2-NZ 2.7Å; D61-K78 PolarHBondContact OD2-NZ 2.72Å; Y74-K78 HydrophobicContact CE1-CD 4Å; Y74-K78 WeakPolarHBondContact O-CB 3.5Å; Y74-K78 PolarHBondContact O-N 3.42Å; I75-K78 PolarHBondContact O-N 2.68Å
79Y98.3Very high98.5Very high68 Ų6861.3 Ų61.327%0.26729%0.289SS..THydrogen-bonded Turntrans-10821.6-175-56.2-64.2000113.9L23 A26 V28 I75 T77 L81L23-Y79 HydrophobicContact CD2-CE2 4.2Å; A26-Y79 HydrophobicContact CB-CD2 4.04Å; A26-Y79 HydrophobicContact CB-CG 3.95Å; V28-Y79 HydrophobicContact CG2-CD1 4.05Å; V28-Y79 HydrophobicContact CG2-CD2 4.16Å; V28-Y79 HydrophobicContact CG2-CE1 3.55Å; V28-Y79 HydrophobicContact CG2-CE2 3.69Å; V28-Y79 HydrophobicContact CG2-CG 4.34Å; I75-Y79 HydrophobicContact CG2-CD2 3.75Å; I75-Y79 HydrophobicContact CG2-CE2 3.99Å; I75-Y79 WeakPolarHBondContact O-CD2 3.48Å; I75-Y79 PolarHBondContact O-N 2.82Å; I75-Y79 VanDerWaalsContact O-N 3.09Å; T77-Y79 VanDerWaalsContact C-N 3.25Å; T77-Y79 PolarHBondContact O-N 3.4Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 2.91Å
80D98.2Very high98.6Very high88 Ų8858.9 Ų58.947%0.47129%0.291SS..THydrogen-bonded Turntrans55.142175.1-165.228.6000114.3A76 T77 R152A76-D80 PolarHBondContact O-N 3.41Å; T77-D80 PolarHBondContact O-N 2.51Å; D80-R152 PolarHBondContact O-NH2 3.12Å; D80-R152 IonicContact OD1-CZ 3.47Å; D80-R152 IonicContact OD1-NH1 3.48Å; D80-R152 IonicContact OD1-NH2 2.69Å; D80-R152 PolarHBondContact OD1-NH2 3.06Å; D80-R152 IonicContact OD2-CZ 3.86Å; D80-R152 IonicContact OD2-NH1 2.79Å; D80-R152 PolarHBondContact OD2-NH1 2.93Å; D80-R152 IonicContact OD2-NH2 3.36Å; D80-R152 PolarHBondContact OD2-NH2 3.09Å
81L98.8Very high98.6Very high12 Ų1260 Ų606%0.06329%0.291CS..  trans-110.915.4177.4-66.6172.6000112.3L22 A26 A76 Y79 L153 T154 R155L22-L81 HydrophobicContact CD1-CD1 3.72Å; L22-L81 HydrophobicContact CG-CD1 4.48Å; A26-L81 HydrophobicContact CB-CD1 4.08Å; A76-L81 HydrophobicContact CB-CB 4.32Å; A76-L81 PolarHBondContact O-N 3.33Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 2.91Å; L81-L153 HydrophobicContact CD2-CD2 4.1Å; L81-L153 HydrophobicContact CD2-CG 4.03Å; L81-T154 CarbonylContact O-C 3.6Å; L81-T154 WeakPolarHBondContact O-CA 3.41Å; L81-T154 WeakPolarHBondContact O-CB 3.27Å; L81-R155 PolarHBondContact O-N 3.19Å
82Y98.7Very high98.6Very high18 Ų1860 Ų607%0.07129%0.291CS..SBendtrans-121.129-173.2-144.9156.2000113.6N73 A76 T77 R89 I92 D93N73-Y82 HydrophobicContact CB-CE1 3.88Å; N73-Y82 PolarHBondContact OD1-OH 3.21Å; A76-Y82 HydrophobicContact CB-CD1 3.76Å; A76-Y82 HydrophobicContact CB-CG 4.06Å; A76-Y82 PolarHBondContact O-N 3.12Å; T77-Y82 WeakPolarHBondContact OG1-CD1 3.47Å; Y82-R89 HydrophobicContact CD2-CB 4.47Å; Y82-R89 HydrophobicContact CD2-CG 3.86Å; Y82-R89 HydrophobicContact CE2-CB 4.44Å; Y82-R89 HydrophobicContact CE2-CG 4.26Å; Y82-R89 WeakPolarHBondContact O-CG 3.4Å; Y82-R89 PolarHBondContact O-NE 2.9Å; Y82-I92 VanDerWaalsContact C-CD1 3.48Å; Y82-I92 HydrophobicContact CD2-CB 4.36Å; Y82-I92 HydrophobicContact CD2-CD1 4.34Å; Y82-I92 HydrophobicContact CD2-CG2 3.78Å; Y82-I92 HydrophobicContact CE2-CB 4.38Å; Y82-I92 HydrophobicContact CE2-CG2 3.8Å; Y82-D93 WeakPolarHBondContact CE2-OD1 3.41Å; Y82-D93 VanDerWaalsContact CZ-OD1 3.23Å; Y82-D93 PolarHBondContact OH-OD1 3.34Å
83G98.1Very high98.6Very high2 Ų263 Ų632%0.02131%0.307CS..  trans68.8161177.900000113.9E88G83-E88 WeakPolarHBondContact CA-OE2 3.46Å
84K97.6Very high98.6Very high137 Ų13765.9 Ų65.960%0.59632%0.32SS*.SBendtrans-84.6-22.7-170.478.1-160.9-179.5-1410114.4E88K84-E88 WeakPolarHBondContact CD-OE1 3.36Å; K84-E88 WeakPolarHBondContact CE-OE1 3.5Å; K84-E88 WeakPolarHBondContact CG-OE2 3.44Å; K84-E88 PolarHBondContact N-OE2 2.81Å; K84-E88 IonicContact NZ-OE1 2.8Å; K84-E88 PolarHBondContact NZ-OE1 2.9Å
85D98.3Very high98.6Very high61 Ų6164.1 Ų64.133%0.32631%0.313SS..SBendtrans-148.1176.1-173.263.845.8000111.9K87 E88 R89D85-K87 PolarHBondContact O-N 3.12Å; D85-K87 WeakPolarHBondContact OD1-CA 3.22Å; D85-K87 WeakPolarHBondContact OD1-CB 3.48Å; D85-K87 PolarHBondContact OD1-N 3.38Å; D85-E88 PolarHBondContact O-N 3.38Å; D85-E88 PolarHBondContact OD1-N 3.03Å; D85-R89 WeakPolarHBondContact O-CB 3.33Å; D85-R89 VanDerWaalsContact O-CG 3.28Å; D85-R89 WeakPolarHBondContact O-CG 3.44Å; D85-R89 PolarHBondContact O-N 3.04Å
86M98.4Very high98.6Very high166 Ų16664.1 Ų64.182%0.81831%0.313SS*.Hα-helixtrans-61-30.1-179.4-73.6173.145.800113.7A90M86-A90 WeakPolarHBondContact O-CB 3.29Å; M86-A90 PolarHBondContact O-N 3.2Å
87K98.7Very high98.5Very high173 Ų17367.5 Ų67.575%0.75233%0.329SS*.Hα-helixtrans-75.6-45.3-178.5-68.4-177176.9179.70110.6D85 R89 A90 L91D85-K87 PolarHBondContact O-N 3.12Å; D85-K87 WeakPolarHBondContact OD1-CA 3.22Å; D85-K87 WeakPolarHBondContact OD1-CB 3.48Å; D85-K87 PolarHBondContact OD1-N 3.38Å; K87-R89 VanDerWaalsContact C-N 3.31Å; K87-R89 PolarHBondContact O-N 3.46Å; K87-A90 PolarHBondContact O-N 3.09Å; K87-L91 PolarHBondContact O-N 3.44Å
88E98.7Very high98.6Very high17 Ų1764.7 Ų64.78%0.07932%0.315CS..Hα-helixtrans-61.7-42.4173.3-72.8-173.2-179.800110.9G83 K84 D85 A90 L91 I92 V149G83-E88 WeakPolarHBondContact CA-OE2 3.46Å; K84-E88 WeakPolarHBondContact CD-OE1 3.36Å; K84-E88 WeakPolarHBondContact CE-OE1 3.5Å; K84-E88 WeakPolarHBondContact CG-OE2 3.44Å; K84-E88 PolarHBondContact N-OE2 2.81Å; K84-E88 IonicContact NZ-OE1 2.8Å; K84-E88 PolarHBondContact NZ-OE1 2.9Å; D85-E88 PolarHBondContact O-N 3.38Å; D85-E88 PolarHBondContact OD1-N 3.03Å; E88-A90 PolarHBondContact O-N 3.34Å; E88-L91 PolarHBondContact O-N 3.07Å; E88-I92 VanDerWaalsContact O-CG1 3.25Å; E88-I92 WeakPolarHBondContact O-CG1 3.4Å; E88-I92 PolarHBondContact O-N 3.35Å; E88-V149 HydrophobicContact CB-CG1 3.79Å; E88-V149 HydrophobicContact CG-CG1 3.82Å
89R98.7Very high98.6Very high104 Ų10461 Ų6139%0.39230%0.298SS..Hα-helixtrans-57.8-44.3175.1-76.6173.6-169.9-166.46.6112.8Y82 D85 K87 L91 I92 D93Y82-R89 HydrophobicContact CD2-CB 4.47Å; Y82-R89 HydrophobicContact CD2-CG 3.86Å; Y82-R89 HydrophobicContact CE2-CB 4.44Å; Y82-R89 HydrophobicContact CE2-CG 4.26Å; Y82-R89 WeakPolarHBondContact O-CG 3.4Å; Y82-R89 PolarHBondContact O-NE 2.9Å; D85-R89 WeakPolarHBondContact O-CB 3.33Å; D85-R89 VanDerWaalsContact O-CG 3.28Å; D85-R89 WeakPolarHBondContact O-CG 3.44Å; D85-R89 PolarHBondContact O-N 3.04Å; K87-R89 VanDerWaalsContact C-N 3.31Å; K87-R89 PolarHBondContact O-N 3.46Å; R89-L91 VanDerWaalsContact C-N 3.33Å; R89-L91 PolarHBondContact O-N 2.92Å; R89-I92 WeakPolarHBondContact O-CB 3.39Å; R89-I92 PolarHBondContact O-N 3.47Å; R89-D93 WeakPolarHBondContact O-CB 3.28Å; R89-D93 VanDerWaalsContact O-CG 3.28Å; R89-D93 PolarHBondContact O-N 3.36Å
90A98.8Very high98.6Very high57 Ų5759 Ų5947%0.47129%0.292SS..Hα-helixtrans-61.8-39.4178.100000112.7M86 K87 E88 M94M86-A90 WeakPolarHBondContact O-CB 3.29Å; M86-A90 PolarHBondContact O-N 3.2Å; K87-A90 PolarHBondContact O-N 3.09Å; E88-A90 PolarHBondContact O-N 3.34Å; A90-M94 WeakPolarHBondContact O-CB 3.41Å; A90-M94 PolarHBondContact O-N 3.04Å
91L98.8Very high98.6Very high72 Ų7258.6 Ų58.638%0.37729%0.29SS..Hα-helixtrans-66.3-44.9173.8-65.8177.9000111.4K87 E88 R89 D93 M94 Y95 V149K87-L91 PolarHBondContact O-N 3.44Å; E88-L91 PolarHBondContact O-N 3.07Å; R89-L91 VanDerWaalsContact C-N 3.33Å; R89-L91 PolarHBondContact O-N 2.92Å; L91-D93 VanDerWaalsContact C-N 3.31Å; L91-D93 PolarHBondContact O-N 3.35Å; L91-M94 HydrophobicContact CD2-CE 3.99Å; L91-M94 PolarHBondContact O-N 2.71Å; L91-Y95 HydrophobicContact CB-CE2 4.22Å; L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 WeakPolarHBondContact O-CD1 3.49Å; L91-Y95 WeakPolarHBondContact O-CD2 3.43Å; L91-Y95 PolarHBondContact O-N 2.76Å; L91-V149 HydrophobicContact CB-CG2 4.14Å
92I98.9Very high98.5Very high0 Ų058 Ų580%029%0.287CS..Hα-helixtrans-58.6-44.1176.6-68.9168.1000110.6Y82 E88 R89 Y95 S96 V149 T154 R155 V156Y82-I92 VanDerWaalsContact C-CD1 3.48Å; Y82-I92 HydrophobicContact CD2-CB 4.36Å; Y82-I92 HydrophobicContact CD2-CD1 4.34Å; Y82-I92 HydrophobicContact CD2-CG2 3.78Å; Y82-I92 HydrophobicContact CE2-CB 4.38Å; Y82-I92 HydrophobicContact CE2-CG2 3.8Å; E88-I92 VanDerWaalsContact O-CG1 3.25Å; E88-I92 WeakPolarHBondContact O-CG1 3.4Å; E88-I92 PolarHBondContact O-N 3.35Å; R89-I92 WeakPolarHBondContact O-CB 3.39Å; R89-I92 PolarHBondContact O-N 3.47Å; I92-Y95 PolarHBondContact O-N 2.89Å; I92-S96 WeakPolarHBondContact O-CB 3.44Å; I92-S96 PolarHBondContact O-N 3.08Å; I92-V149 HydrophobicContact CD1-CG1 4.33Å; I92-V149 HydrophobicContact CG1-CB 4.11Å; I92-V149 HydrophobicContact CG1-CG1 4.1Å; I92-V149 HydrophobicContact CG1-CG2 3.89Å; I92-T154 HydrophobicContact CD1-CG2 3.91Å; I92-R155 HydrophobicContact CG2-CG 3.59Å; I92-V156 HydrophobicContact CB-CG1 4.34Å; I92-V156 HydrophobicContact CG1-CG2 4.16Å; I92-V156 HydrophobicContact CG2-CG1 3.78Å; I92-V156 HydrophobicContact CG2-CG2 4.44Å; I92-V156 WeakPolarHBondContact O-CG1 3.39Å
93D98.9Very high98.5Very high62 Ų6257.9 Ų57.933%0.33229%0.288SS..Hα-helixtrans-63.9-49.6179.1-72.4-24.1000111.4Y82 R89 L91 Y95 S96 E97Y82-D93 WeakPolarHBondContact CE2-OD1 3.41Å; Y82-D93 VanDerWaalsContact CZ-OD1 3.23Å; Y82-D93 PolarHBondContact OH-OD1 3.34Å; R89-D93 WeakPolarHBondContact O-CB 3.28Å; R89-D93 VanDerWaalsContact O-CG 3.28Å; R89-D93 PolarHBondContact O-N 3.36Å; L91-D93 VanDerWaalsContact C-N 3.31Å; L91-D93 PolarHBondContact O-N 3.35Å; D93-Y95 VanDerWaalsContact C-N 3.3Å; D93-Y95 PolarHBondContact O-N 2.7Å; D93-S96 PolarHBondContact O-N 3.4Å; D93-E97 WeakPolarHBondContact O-CG 3.38Å; D93-E97 PolarHBondContact O-N 3.31Å
94M98.8Very high98.4Very high118 Ų11860 Ų6058%0.58130%0.298SS*.Hα-helixtrans-57.5-43.5178-177.8172.964.600112A90 L91 G98A90-M94 WeakPolarHBondContact O-CB 3.41Å; A90-M94 PolarHBondContact O-N 3.04Å; L91-M94 HydrophobicContact CD2-CE 3.99Å; L91-M94 PolarHBondContact O-N 2.71Å; M94-G98 PolarHBondContact O-N 3.43Å
95Y98.9Very high98.3Very high34 Ų3456 Ų5613%0.13328%0.282CS..Hα-helixtrans-69.2-43.9178.1-63.5-10.5000111.6L91 I92 D93 E97 G98 I99 F136 V139 L148 V149 V156L91-Y95 HydrophobicContact CB-CE2 4.22Å; L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 WeakPolarHBondContact O-CD1 3.49Å; L91-Y95 WeakPolarHBondContact O-CD2 3.43Å; L91-Y95 PolarHBondContact O-N 2.76Å; I92-Y95 PolarHBondContact O-N 2.89Å; D93-Y95 VanDerWaalsContact C-N 3.3Å; D93-Y95 PolarHBondContact O-N 2.7Å; Y95-E97 VanDerWaalsContact C-N 3.34Å; Y95-E97 PolarHBondContact O-N 3.42Å; Y95-G98 PolarHBondContact O-N 3.36Å; Y95-I99 WeakPolarHBondContact O-CD1 3.21Å; Y95-I99 VanDerWaalsContact O-CG1 3.29Å; Y95-I99 WeakPolarHBondContact O-CG1 3.13Å; Y95-I99 PolarHBondContact O-N 2.82Å; Y95-F136 HydrophobicContact CD1-CE1 4.3Å; Y95-F136 HydrophobicContact CG-CE1 4.06Å; Y95-V139 HydrophobicContact CE1-CG2 4.09Å; Y95-V139 HydrophobicContact CE2-CG1 4.07Å; Y95-L148 HydrophobicContact CD2-CB 4.37Å; Y95-L148 HydrophobicContact CE2-CB 4.46Å; Y95-V149 HydrophobicContact CD2-CG2 3.88Å; Y95-V149 HydrophobicContact CE2-CG2 3.64Å; Y95-V156 HydrophobicContact CD2-CG2 4.49Å
96S98.6Very high98.1Very high1 Ų154 Ų541%0.00727%0.271CS..Hα-helixtrans-62.8-40.4179.3-170.40000111.5I92 D93 I99 L100 R155I92-S96 WeakPolarHBondContact O-CB 3.44Å; I92-S96 PolarHBondContact O-N 3.08Å; D93-S96 PolarHBondContact O-N 3.4Å; S96-I99 PolarHBondContact O-N 2.96Å; S96-L100 WeakPolarHBondContact O-CB 3.43Å; S96-L100 VanDerWaalsContact O-CG 3.28Å; S96-L100 WeakPolarHBondContact O-CG 3.48Å; S96-L100 PolarHBondContact O-N 3.14Å; S96-R155 PolarHBondContact OG-NH2 3.33Å
97E98.7Very high97.9Very high71 Ų7147.7 Ų47.733%0.33224%0.24SC..Hα-helixtrans-66.6-42.4177.5-70.3-56.1126.900111.6R69 D93 Y95 I99 L100 D101R69-E97 WeakPolarHBondContact CD-OE1 3.29Å; R69-E97 IonicContact CZ-OE1 3.09Å; R69-E97 IonicContact CZ-OE2 3.71Å; R69-E97 VanDerWaalsContact CZ-OE2 3.27Å; R69-E97 VanDerWaalsContact NE-CD 3.33Å; R69-E97 IonicContact NE-OE1 2.94Å; R69-E97 PolarHBondContact NE-OE1 2.69Å; R69-E97 IonicContact NE-OE2 3.37Å; R69-E97 PolarHBondContact NE-OE2 2.94Å; R69-E97 IonicContact NH2-OE1 3.52Å; R69-E97 IonicContact NH2-OE2 2.96Å; R69-E97 PolarHBondContact NH2-OE2 3.25Å; D93-E97 WeakPolarHBondContact O-CG 3.38Å; D93-E97 PolarHBondContact O-N 3.31Å; Y95-E97 VanDerWaalsContact C-N 3.34Å; Y95-E97 PolarHBondContact O-N 3.42Å; E97-I99 VanDerWaalsContact C-N 3.32Å; E97-I99 PolarHBondContact O-N 3.06Å; E97-L100 PolarHBondContact O-N 2.85Å; E97-D101 PolarHBondContact O-N 2.88Å
98G98.6Very high97.6Very high16 Ų1641.9 Ų41.917%0.16522%0.216CC..Hα-helixtrans-62.7-36.8174.400000113.6M94 Y95 L102 Y132M94-G98 PolarHBondContact O-N 3.43Å; Y95-G98 PolarHBondContact O-N 3.36Å; G98-L102 PolarHBondContact O-N 2.82Å; G98-Y132 WeakPolarHBondContact O-CE1 3.28Å
99I98.8Very high97.3Very high3 Ų341.9 Ų41.92%0.01522%0.216CC..Hα-helixtrans-64.1-46.9172.9-69.8160.1000110.2Y95 S96 E97 D101 L102 T103 F136 V156 H159 L160 L163Y95-I99 WeakPolarHBondContact O-CD1 3.21Å; Y95-I99 VanDerWaalsContact O-CG1 3.29Å; Y95-I99 WeakPolarHBondContact O-CG1 3.13Å; Y95-I99 PolarHBondContact O-N 2.82Å; S96-I99 PolarHBondContact O-N 2.96Å; E97-I99 VanDerWaalsContact C-N 3.32Å; E97-I99 PolarHBondContact O-N 3.06Å; I99-D101 VanDerWaalsContact C-N 3.33Å; I99-D101 PolarHBondContact O-N 3.46Å; I99-L102 PolarHBondContact O-N 3.33Å; I99-T103 WeakPolarHBondContact O-CB 3.07Å; I99-T103 PolarHBondContact O-N 3.43Å; I99-T103 PolarHBondContact O-OG1 2.92Å; I99-T103 VanDerWaalsContact O-OG1 3.07Å; I99-F136 HydrophobicContact CD1-CE1 4.34Å; I99-F136 HydrophobicContact CD1-CZ 4.03Å; I99-F136 HydrophobicContact CG1-CE1 4.33Å; I99-F136 HydrophobicContact CG1-CE2 3.87Å; I99-F136 HydrophobicContact CG1-CZ 3.54Å; I99-V156 HydrophobicContact CD1-CB 4.5Å; I99-H159 HydrophobicContact CD1-CB 4.23Å; I99-H159 HydrophobicContact CG2-CB 4.04Å; I99-L160 HydrophobicContact CD1-CB 3.93Å; I99-L160 HydrophobicContact CG1-CD1 4.45Å; I99-L163 HydrophobicContact CB-CD2 4.35Å; I99-L163 HydrophobicContact CG1-CD2 4.25Å; I99-L163 HydrophobicContact CG2-CB 4.08Å; I99-L163 HydrophobicContact CG2-CD2 3.94Å
100L98Very high96.8Very high26 Ų2639.1 Ų39.114%0.13621%0.211CC..Hα-helixtrans-63.8-36.7-179.3-73.8173.6000112.4R69 S96 E97 L102 T103 E104R69-L100 HydrophobicContact CG-CD1 4.13Å; S96-L100 WeakPolarHBondContact O-CB 3.43Å; S96-L100 VanDerWaalsContact O-CG 3.28Å; S96-L100 WeakPolarHBondContact O-CG 3.48Å; S96-L100 PolarHBondContact O-N 3.14Å; E97-L100 PolarHBondContact O-N 2.85Å; L100-L102 PolarHBondContact O-N 3.46Å; L100-T103 PolarHBondContact O-N 2.96Å; L100-E104 WeakPolarHBondContact O-CB 3.42Å; L100-E104 PolarHBondContact O-N 3.38Å
101D98.5Very high96.2Very high81 Ų8138 Ų3843%0.43320%0.197SC..Hα-helixtrans-60.8-43.8175.3-78.8-10.5000112E97 I99 M105E97-D101 PolarHBondContact O-N 2.88Å; I99-D101 VanDerWaalsContact C-N 3.33Å; I99-D101 PolarHBondContact O-N 3.46Å; D101-M105 WeakPolarHBondContact O-CG 3.18Å; D101-M105 PolarHBondContact O-N 3.22Å
102L98Very high95.8Very high0 Ų034.8 Ų34.80%018%0.18CC..Hα-helixtrans-71.2-43176.9-177.856000111.9G98 I99 L100 E104 M105 I106 T128 Y132 L163G98-L102 PolarHBondContact O-N 2.82Å; I99-L102 PolarHBondContact O-N 3.33Å; L100-L102 PolarHBondContact O-N 3.46Å; L102-E104 PolarHBondContact O-N 3.39Å; L102-M105 HydrophobicContact CD1-SD 4.4Å; L102-M105 WeakPolarHBondContact O-CB 3.49Å; L102-M105 PolarHBondContact O-N 2.65Å; L102-M105 VanDerWaalsContact O-N 3.09Å; L102-I106 HydrophobicContact CG-CD1 4.37Å; L102-I106 PolarHBondContact O-N 3.43Å; L102-I106 VanDerWaalsContact O-N 3.09Å; L102-T128 WeakPolarHBondContact CD1-OG1 3.21Å; L102-T128 HydrophobicContact CD2-CG2 4.27Å; L102-Y132 HydrophobicContact CB-CD2 3.7Å; L102-Y132 HydrophobicContact CB-CE2 3.8Å; L102-Y132 HydrophobicContact CB-CG 4.12Å; L102-Y132 HydrophobicContact CD1-CD2 3.83Å; L102-Y132 HydrophobicContact CD1-CE2 4.03Å; L102-Y132 HydrophobicContact CD2-CD2 3.78Å; L102-Y132 HydrophobicContact CD2-CG 4.08Å; L102-Y132 HydrophobicContact CG-CD2 3.96Å; L102-Y132 HydrophobicContact CG-CE2 4.34Å; L102-L163 HydrophobicContact CB-CD1 4.31Å; L102-L163 HydrophobicContact CB-CD2 4.38Å; L102-L163 HydrophobicContact CD2-CD1 3.85Å; L102-L163 HydrophobicContact CD2-CD2 3.92Å; L102-L163 HydrophobicContact CD2-CG 4.32Å; L102-L163 HydrophobicContact CG-CD1 3.88Å; L102-L163 HydrophobicContact CG-CD2 4.47Å
103T96.8Very high95.3Very high14 Ų1437.4 Ų37.49%0.08620%0.197CC..Hα-helixtrans-58.5-39.2176.1-62.80000111I99 L100 I106 I107 Y166I99-T103 WeakPolarHBondContact O-CB 3.07Å; I99-T103 PolarHBondContact O-N 3.43Å; I99-T103 PolarHBondContact O-OG1 2.92Å; I99-T103 VanDerWaalsContact O-OG1 3.07Å; L100-T103 PolarHBondContact O-N 2.96Å; T103-I106 PolarHBondContact O-N 2.91Å; T103-I107 HydrophobicContact CG2-CD1 3.92Å; T103-I107 HydrophobicContact CG2-CG1 4.37Å; T103-I107 WeakPolarHBondContact O-CG1 3.49Å; T103-I107 PolarHBondContact O-N 2.77Å; T103-Y166 HydrophobicContact CG2-CD2 4.37Å; T103-Y166 HydrophobicContact CG2-CE2 4.15Å
104E96.7Very high94.8Very high47 Ų4739.4 Ų39.422%0.2221%0.213CC..Hα-helixtrans-61.1-44.6174.4-175.461.9-155.800111.5R15 L100 L102 I106 I107 Q108R15-E104 IonicContact CZ-OE1 3.16Å; R15-E104 IonicContact CZ-OE2 2.72Å; R15-E104 IonicContact NH1-OE2 3.35Å; R15-E104 PolarHBondContact NH1-OE2 3.24Å; R15-E104 IonicContact NH2-OE1 2.76Å; R15-E104 PolarHBondContact NH2-OE1 3.31Å; R15-E104 IonicContact NH2-OE2 2.71Å; R15-E104 PolarHBondContact NH2-OE2 2.7Å; L100-E104 WeakPolarHBondContact O-CB 3.42Å; L100-E104 PolarHBondContact O-N 3.38Å; L102-E104 PolarHBondContact O-N 3.39Å; E104-I106 VanDerWaalsContact C-N 3.26Å; E104-I106 PolarHBondContact O-N 2.95Å; E104-I107 PolarHBondContact O-N 3.13Å; E104-Q108 HydrophobicContact CG-CG 4.35Å; E104-Q108 WeakPolarHBondContact O-CB 3.48Å; E104-Q108 WeakPolarHBondContact O-CG 3.24Å; E104-Q108 PolarHBondContact O-N 2.9Å; E104-Q108 PolarHBondContact OE1-NE2 2.8Å
105M96.6Very high94.6Very high52 Ų5240 Ų4026%0.25622%0.219SC..Hα-helixtrans-57.1-42175.6-66.5179.7-166.900111.6D101 L102 Q108 L109 A124 R127 Y132D101-M105 WeakPolarHBondContact O-CG 3.18Å; D101-M105 PolarHBondContact O-N 3.22Å; L102-M105 HydrophobicContact CD1-SD 4.4Å; L102-M105 WeakPolarHBondContact O-CB 3.49Å; L102-M105 PolarHBondContact O-N 2.65Å; L102-M105 VanDerWaalsContact O-N 3.09Å; M105-Q108 PolarHBondContact O-N 2.85Å; M105-L109 WeakPolarHBondContact O-CG 3.31Å; M105-L109 PolarHBondContact O-N 3.44Å; M105-A124 HydrophobicContact CB-CB 4.41Å; M105-R127 HydrophobicContact CE-CG 4.29Å; M105-R127 HydrophobicContact SD-CB 4.05Å; M105-R127 HydrophobicContact SD-CG 3.97Å; M105-Y132 HydrophobicContact CE-CE2 4.41Å
106I94.4Very high94.4Very high20 Ų2042.3 Ų42.310%0.10323%0.231CC..Hα-helixtrans-67.6-45.6178.5-64171.4000111.1L102 T103 E104 Q108 L109 L163 V167L102-I106 HydrophobicContact CG-CD1 4.37Å; L102-I106 PolarHBondContact O-N 3.43Å; L102-I106 VanDerWaalsContact O-N 3.09Å; T103-I106 PolarHBondContact O-N 2.91Å; E104-I106 VanDerWaalsContact C-N 3.26Å; E104-I106 PolarHBondContact O-N 2.95Å; I106-Q108 PolarHBondContact O-N 2.77Å; I106-L109 WeakPolarHBondContact O-CB 3.21Å; I106-L109 PolarHBondContact O-N 2.93Å; I106-L109 VanDerWaalsContact O-N 3.08Å; I106-L163 HydrophobicContact CD1-CD1 3.84Å; I106-V167 HydrophobicContact CD1-CG2 4.29Å
107I92.4Very high94.1Very high34 Ų3447.5 Ų47.517%0.17425%0.25CS..Hα-helixtrans-57-42.2175.9-71.8170.1000110.4T103 E104 L109 V110T103-I107 HydrophobicContact CG2-CD1 3.92Å; T103-I107 HydrophobicContact CG2-CG1 4.37Å; T103-I107 WeakPolarHBondContact O-CG1 3.49Å; T103-I107 PolarHBondContact O-N 2.77Å; E104-I107 PolarHBondContact O-N 3.13Å; I107-L109 PolarHBondContact O-N 3.45Å; I107-V110 WeakPolarHBondContact O-CB 3.18Å; I107-V110 PolarHBondContact O-N 3.43Å; I107-V110 VanDerWaalsContact O-N 3.08Å
108Q92.5Very high94Very high51 Ų5152 Ų5224%0.23827%0.271CS..Hα-helixtrans-63.7-25.2179.6-70.7-67.3-32.200113.3E104 M105 I106 V110 I111 C112E104-Q108 HydrophobicContact CG-CG 4.35Å; E104-Q108 WeakPolarHBondContact O-CB 3.48Å; E104-Q108 WeakPolarHBondContact O-CG 3.24Å; E104-Q108 PolarHBondContact O-N 2.9Å; E104-Q108 PolarHBondContact OE1-NE2 2.8Å; M105-Q108 PolarHBondContact O-N 2.85Å; I106-Q108 PolarHBondContact O-N 2.77Å; Q108-V110 PolarHBondContact O-N 2.84Å; Q108-I111 PolarHBondContact O-N 3.49Å; Q108-C112 WeakPolarHBondContact O-CB 3.46Å; Q108-C112 PolarHBondContact O-N 2.99Å; Q108-C112 PolarHBondContact O-SG 3.3Å
109L92.3Very high93.9Very high17 Ų1754.7 Ų54.79%0.08929%0.292CS..Hα-helixtrans-64.9-30.4174.7-56-175.6000112.5M105 I106 I107 R117 K120 A124 F170M105-L109 WeakPolarHBondContact O-CG 3.31Å; M105-L109 PolarHBondContact O-N 3.44Å; I106-L109 WeakPolarHBondContact O-CB 3.21Å; I106-L109 PolarHBondContact O-N 2.93Å; I106-L109 VanDerWaalsContact O-N 3.08Å; I107-L109 PolarHBondContact O-N 3.45Å; L109-R117 PolarHBondContact O-NE 3.3Å; L109-K120 VanDerWaalsContact CD2-C 3.41Å; L109-K120 HydrophobicContact CD2-CB 3.47Å; L109-K120 VanDerWaalsContact CD2-CB 3.47Å; L109-A124 HydrophobicContact CD1-CB 4.1Å; L109-A124 HydrophobicContact CD2-CB 4.49Å; L109-F170 HydrophobicContact CD1-CD2 4.1Å; L109-F170 HydrophobicContact CD1-CE2 3.38Å; L109-F170 HydrophobicContact CD1-CZ 3.63Å
110V88.3Confident93.8Very high45 Ų4557.6 Ų57.627%0.27330%0.304SS..Hα-helixtrans-76.5-39-178-169.10000110.6I107 Q108 M208 I213I107-V110 WeakPolarHBondContact O-CB 3.18Å; I107-V110 PolarHBondContact O-N 3.43Å; I107-V110 VanDerWaalsContact O-N 3.08Å; Q108-V110 PolarHBondContact O-N 2.84Å; V110-M208 HydrophobicContact CB-CE 4.09Å; V110-M208 HydrophobicContact CG1-CB 4.26Å; V110-M208 HydrophobicContact CG1-CE 3.35Å; V110-I213 HydrophobicContact CG1-CD1 3.49Å; V110-I213 VanDerWaalsContact CG1-CD1 3.49Å; V110-I213 HydrophobicContact CG1-CG1 3.8Å
111I87.5Confident93.7Very high35 Ų3558.1 Ų58.118%0.17931%0.308CS..Hα-helixtrans-100.7-14.8-17263.4171000114.6Q108 M208 R217 F222Q108-I111 PolarHBondContact O-N 3.49Å; I111-M208 HydrophobicContact CG2-CE 4.35Å; I111-R217 PolarHBondContact O-NH2 3.09Å; I111-F222 HydrophobicContact CB-CD2 4Å; I111-F222 HydrophobicContact CB-CE2 3.53Å; I111-F222 HydrophobicContact CB-CZ 4.44Å; I111-F222 HydrophobicContact CD1-CD2 4.48Å; I111-F222 HydrophobicContact CG2-CD2 4.3Å; I111-F222 HydrophobicContact CG2-CE2 3.41Å; I111-F222 VanDerWaalsContact CG2-CE2 3.41Å; I111-F222 HydrophobicContact CG2-CZ 3.85Å
112C90Very high93.7Very high4 Ų457.1 Ų57.13%0.02731%0.311CS..SBendtrans-64.6157.1-177.670.50000113.1Q108 K120Q108-C112 WeakPolarHBondContact O-CB 3.46Å; Q108-C112 PolarHBondContact O-N 2.99Å; Q108-C112 PolarHBondContact O-SG 3.3Å; C112-K120 HydrophobicContact CB-CD 3.75Å
113P88.1Confident93.6Very high55 Ų5561 Ų6136%0.35733%0.332SS..  trans-54.1146.2167.8-28.238.1000112.6D115 Q116 R117P113-D115 VanDerWaalsContact C-N 3.29Å; P113-D115 WeakPolarHBondContact CB-OD1 3.22Å; P113-D115 PolarHBondContact O-N 3.01Å; P113-Q116 HydrophobicContact CB-CG 4.38Å; P113-Q116 PolarHBondContact O-N 2.85Å; P113-Q116 VanDerWaalsContact O-N 3.1Å; P113-R117 PolarHBondContact O-N 2.96Å
114P88.9Confident93.7Very high103 Ų10360.4 Ų60.467%0.66933%0.328SS*.Hα-helixtrans-57.1-38.1-177.4-26.935.3000114.4Q116 R117P114-Q116 PolarHBondContact O-N 3.47Å; P114-R117 WeakPolarHBondContact O-CB 3.42Å; P114-R117 PolarHBondContact O-N 3.37Å
115D93.4Very high93.7Very high132 Ų13261.5 Ų61.571%0.70633%0.333SS*.Hα-helixtrans-65.9-20.2179.262.1-50.7000113.4P113P113-D115 VanDerWaalsContact C-N 3.29Å; P113-D115 WeakPolarHBondContact CB-OD1 3.22Å; P113-D115 PolarHBondContact O-N 3.01Å
116Q94.7Very high93.8Very high81 Ų8162 Ų6238%0.37934%0.336SS..Hα-helixtrans-96.1-12177-60.7-177.615.800113.5P113 P114 E118 A119 K120P113-Q116 HydrophobicContact CB-CG 4.38Å; P113-Q116 PolarHBondContact O-N 2.85Å; P113-Q116 VanDerWaalsContact O-N 3.1Å; P114-Q116 PolarHBondContact O-N 3.47Å; Q116-E118 PolarHBondContact O-N 3.29Å; Q116-A119 PolarHBondContact O-N 2.63Å; Q116-K120 HydrophobicContact CB-CD 4.45Å; Q116-K120 WeakPolarHBondContact O-CG 3.4Å; Q116-K120 PolarHBondContact O-N 3.41Å
117R93.2Very high94Very high110 Ų11064.4 Ų64.442%0.41534%0.344SS..Hα-helixtrans-63.7-40.9-168-175.4172.8-76.3164.5-1.2112.4L109 P113 P114 T121L109-R117 PolarHBondContact O-NE 3.3Å; P113-R117 PolarHBondContact O-N 2.96Å; P114-R117 WeakPolarHBondContact O-CB 3.42Å; P114-R117 PolarHBondContact O-N 3.37Å; R117-T121 WeakPolarHBondContact O-CB 3.44Å; R117-T121 PolarHBondContact O-N 3.44Å; R117-T121 PolarHBondContact O-OG1 2.95Å
118E95.5Very high94.2Very high167 Ų16762.8 Ų62.878%0.7834%0.336SS*.Hα-helixtrans-63.4-52.5-179.9-174.3178.1179.900111.6Q116 K120 T121 A122Q116-E118 PolarHBondContact O-N 3.29Å; E118-K120 PolarHBondContact O-N 3.26Å; E118-T121 WeakPolarHBondContact O-CB 3.13Å; E118-T121 PolarHBondContact O-N 3.32Å; E118-T121 VanDerWaalsContact O-N 3.17Å; E118-A122 PolarHBondContact O-N 3.18Å
119A96.9Very high94.5Very high72 Ų7265.5 Ų65.560%0.59535%0.346SS*.Hα-helixtrans-60.8-43.7179.800000112.1Q116 T121 A122 L123Q116-A119 PolarHBondContact O-N 2.63Å; A119-T121 VanDerWaalsContact C-N 3.35Å; A119-A122 PolarHBondContact O-N 2.94Å; A119-L123 WeakPolarHBondContact O-CB 3.49Å; A119-L123 PolarHBondContact O-N 3.05Å
120K96.9Very high94.7Very high64 Ų6469.6 Ų69.628%0.27837%0.369SS..Hα-helixtrans-66.3-37.5176.5-71.1-174.8175-129.70112.1L109 C112 Q116 E118 L123 A124L109-K120 VanDerWaalsContact CD2-C 3.41Å; L109-K120 HydrophobicContact CD2-CB 3.47Å; L109-K120 VanDerWaalsContact CD2-CB 3.47Å; C112-K120 HydrophobicContact CB-CD 3.75Å; Q116-K120 HydrophobicContact CB-CD 4.45Å; Q116-K120 WeakPolarHBondContact O-CG 3.4Å; Q116-K120 PolarHBondContact O-N 3.41Å; E118-K120 PolarHBondContact O-N 3.26Å; K120-L123 PolarHBondContact O-N 2.82Å; K120-A124 WeakPolarHBondContact O-CB 3.38Å; K120-A124 PolarHBondContact O-N 3.21Å
121T96.6Very high95.2Very high36 Ų3673.2 Ų73.222%0.22138%0.377CS..Hα-helixtrans-62.3-48.2175.9-64.50000110.6R117 E118 A119 L123 A124 K125 F170R117-T121 WeakPolarHBondContact O-CB 3.44Å; R117-T121 PolarHBondContact O-N 3.44Å; R117-T121 PolarHBondContact O-OG1 2.95Å; E118-T121 WeakPolarHBondContact O-CB 3.13Å; E118-T121 PolarHBondContact O-N 3.32Å; E118-T121 VanDerWaalsContact O-N 3.17Å; A119-T121 VanDerWaalsContact C-N 3.35Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.09Å; T121-A124 PolarHBondContact O-N 2.77Å; T121-K125 WeakPolarHBondContact O-CG 3.41Å; T121-K125 PolarHBondContact O-N 3.23Å; T121-F170 HydrophobicContact CG2-CE2 3.89Å; T121-F170 HydrophobicContact CG2-CZ 3.81Å
122A97.1Very high95.7Very high60 Ų6072.6 Ų72.650%0.49637%0.373SS..Hα-helixtrans-59.4-44.8177.400000111.6E118 A119 K125 D126E118-A122 PolarHBondContact O-N 3.18Å; A119-A122 PolarHBondContact O-N 2.94Å; A122-K125 PolarHBondContact O-N 3.21Å; A122-D126 PolarHBondContact O-N 3.38Å
123L97.6Very high96.1Very high83 Ų8372.4 Ų72.444%0.43537%0.371SS..Hα-helixtrans-62.4-45.2176.2-179.263.2000112.2A119 K120 T121 K125 D126 R127A119-L123 WeakPolarHBondContact O-CB 3.49Å; A119-L123 PolarHBondContact O-N 3.05Å; K120-L123 PolarHBondContact O-N 2.82Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.09Å; L123-K125 VanDerWaalsContact C-N 3.33Å; L123-K125 PolarHBondContact O-N 2.92Å; L123-D126 PolarHBondContact O-N 2.69Å; L123-R127 HydrophobicContact CD1-CG 3.95Å; L123-R127 HydrophobicContact CG-CG 4.29Å; L123-R127 WeakPolarHBondContact O-CB 3.42Å; L123-R127 VanDerWaalsContact O-CG 3.24Å; L123-R127 WeakPolarHBondContact O-CG 3.45Å; L123-R127 PolarHBondContact O-N 2.6Å
124A97.5Very high96.7Very high1 Ų172 Ų721%0.00837%0.369CS..Hα-helixtrans-61.6-41.5178.300000111.4M105 L109 K120 T121 T128 F170M105-A124 HydrophobicContact CB-CB 4.41Å; L109-A124 HydrophobicContact CD1-CB 4.1Å; L109-A124 HydrophobicContact CD2-CB 4.49Å; K120-A124 WeakPolarHBondContact O-CB 3.38Å; K120-A124 PolarHBondContact O-N 3.21Å; T121-A124 PolarHBondContact O-N 2.77Å; A124-T128 VanDerWaalsContact O-CB 3.31Å; A124-T128 WeakPolarHBondContact O-CB 3.32Å; A124-T128 PolarHBondContact O-N 3.32Å; A124-T128 PolarHBondContact O-OG1 3.42Å; A124-F170 HydrophobicContact CB-CE1 4.26Å; A124-F170 HydrophobicContact CB-CZ 4.21Å
125K97.6Very high97.1Very high70 Ų7069.4 Ų69.430%0.30436%0.357SS..Hα-helixtrans-63.8-46.9175.3-70.8-167.2179-161.20112.3T121 A122 L123 T128 K129 F170 D171 L174T121-K125 WeakPolarHBondContact O-CG 3.41Å; T121-K125 PolarHBondContact O-N 3.23Å; A122-K125 PolarHBondContact O-N 3.21Å; L123-K125 VanDerWaalsContact C-N 3.33Å; L123-K125 PolarHBondContact O-N 2.92Å; K125-T128 PolarHBondContact O-N 3.33Å; K125-K129 WeakPolarHBondContact O-CB 3.46Å; K125-K129 PolarHBondContact O-N 3.34Å; K125-F170 HydrophobicContact CB-CE1 4.46Å; K125-F170 HydrophobicContact CD-CE1 4.38Å; K125-F170 HydrophobicContact CD-CZ 4.34Å; K125-F170 HydrophobicContact CG-CD1 4.45Å; K125-F170 HydrophobicContact CG-CE1 3.39Å; K125-F170 HydrophobicContact CG-CZ 3.57Å; K125-D171 WeakPolarHBondContact CE-OD2 3.42Å; K125-D171 IonicContact NZ-OD2 2.71Å; K125-D171 PolarHBondContact NZ-OD2 3.32Å; K125-L174 HydrophobicContact CG-CD1 4.3Å
126D97.9Very high97.4Very high61 Ų6163.7 Ų63.733%0.32633%0.325SS..Hα-helixtrans-56.6-52.8175.5172.369.6000111.2A122 L123 T128 K129 N130A122-D126 PolarHBondContact O-N 3.38Å; L123-D126 PolarHBondContact O-N 2.69Å; D126-T128 VanDerWaalsContact C-N 3.33Å; D126-T128 PolarHBondContact O-N 2.88Å; D126-K129 PolarHBondContact O-N 3.06Å; D126-N130 VanDerWaalsContact O-CB 3.31Å; D126-N130 WeakPolarHBondContact O-CB 3.38Å; D126-N130 PolarHBondContact O-N 3.23Å; D126-N130 PolarHBondContact OD1-ND2 2.97Å
127R98.1Very high97.6Very high72 Ų7261 Ų6127%0.27231%0.313SS..Hα-helixtrans-63.7-39.3-177.9-66.8-65.3-175.6-127.26.3112.2M105 L123 R131 Y132M105-R127 HydrophobicContact CE-CG 4.29Å; M105-R127 HydrophobicContact SD-CB 4.05Å; M105-R127 HydrophobicContact SD-CG 3.97Å; L123-R127 HydrophobicContact CD1-CG 3.95Å; L123-R127 HydrophobicContact CG-CG 4.29Å; L123-R127 WeakPolarHBondContact O-CB 3.42Å; L123-R127 VanDerWaalsContact O-CG 3.24Å; L123-R127 WeakPolarHBondContact O-CG 3.45Å; L123-R127 PolarHBondContact O-N 2.6Å; R127-R131 WeakPolarHBondContact O-CA 3.43Å; R127-R131 WeakPolarHBondContact O-CB 3.46Å; R127-R131 PolarHBondContact O-N 3.38Å; R127-R131 VanDerWaalsContact O-N 3.1Å; R127-Y132 HydrophobicContact CB-CD2 4.04Å; R127-Y132 HydrophobicContact CB-CE2 3.83Å; R127-Y132 VanDerWaalsContact O-CD2 3.31Å; R127-Y132 WeakPolarHBondContact O-CD2 3.48Å; R127-Y132 PolarHBondContact O-N 3.27Å
128T98.2Very high97.8Very high0 Ų063.3 Ų63.30%033%0.326CS..Iπ-helixtrans-58.6-54.7173.9-57.50000110.5L102 A124 K125 D126 L133 V167 L174L102-T128 WeakPolarHBondContact CD1-OG1 3.21Å; L102-T128 HydrophobicContact CD2-CG2 4.27Å; A124-T128 VanDerWaalsContact O-CB 3.31Å; A124-T128 WeakPolarHBondContact O-CB 3.32Å; A124-T128 PolarHBondContact O-N 3.32Å; A124-T128 PolarHBondContact O-OG1 3.42Å; K125-T128 PolarHBondContact O-N 3.33Å; D126-T128 VanDerWaalsContact C-N 3.33Å; D126-T128 PolarHBondContact O-N 2.88Å; T128-L133 HydrophobicContact CG2-CD1 3.6Å; T128-L133 HydrophobicContact CG2-CD2 4.39Å; T128-L133 HydrophobicContact CG2-CG 3.75Å; T128-L133 WeakPolarHBondContact O-CB 3.23Å; T128-L133 VanDerWaalsContact O-CG 3.32Å; T128-L133 WeakPolarHBondContact O-CG 3.44Å; T128-L133 PolarHBondContact O-N 3.49Å; T128-L133 VanDerWaalsContact O-N 3.12Å; T128-V167 HydrophobicContact CG2-CG1 3.81Å; T128-V167 HydrophobicContact CG2-CG2 3.78Å; T128-L174 HydrophobicContact CG2-CB 4.32Å; T128-L174 HydrophobicContact CG2-CD1 3.94Å
129K97.2Very high98Very high107 Ų10756.3 Ų56.347%0.46529%0.294SS..Iπ-helixtrans-71.5-41.4-173.1-171.4177.8178.1178.90113.7K125 D126 P134 L174K125-K129 WeakPolarHBondContact O-CB 3.46Å; K125-K129 PolarHBondContact O-N 3.34Å; D126-K129 PolarHBondContact O-N 3.06Å; K129-P134 VanDerWaalsContact O-CD 3.27Å; K129-P134 WeakPolarHBondContact O-CD 3.43Å; K129-P134 WeakPolarHBondContact O-CG 3Å; K129-L174 HydrophobicContact CB-CD2 4.11Å
130N97.9Very high98.1Very high104 Ų10453.3 Ų53.356%0.55627%0.268SS*.Iπ-helixtrans-106.9-9.5-165.3-61.6-35.4000113.5D126D126-N130 VanDerWaalsContact O-CB 3.31Å; D126-N130 WeakPolarHBondContact O-CB 3.38Å; D126-N130 PolarHBondContact O-N 3.23Å; D126-N130 PolarHBondContact OD1-ND2 2.97Å
131R98.3Very high98.2Very high121 Ų12158 Ų5846%0.45729%0.289SS..Iπ-helixtrans-123.8-62.8-179.9-179.3-178.2-66.7-169.7-6.3112.9R127R127-R131 WeakPolarHBondContact O-CA 3.43Å; R127-R131 WeakPolarHBondContact O-CB 3.46Å; R127-R131 PolarHBondContact O-N 3.38Å; R127-R131 VanDerWaalsContact O-N 3.1Å
132Y98.7Very high98.2Very high21 Ų2160.9 Ų60.98%0.08231%0.31CS..Iπ-helixtrans-81.9-51.5-165-64-67.6000113.3G98 L102 M105 R127 A135 F136G98-Y132 WeakPolarHBondContact O-CE1 3.28Å; L102-Y132 HydrophobicContact CB-CD2 3.7Å; L102-Y132 HydrophobicContact CB-CE2 3.8Å; L102-Y132 HydrophobicContact CB-CG 4.12Å; L102-Y132 HydrophobicContact CD1-CD2 3.83Å; L102-Y132 HydrophobicContact CD1-CE2 4.03Å; L102-Y132 HydrophobicContact CD2-CD2 3.78Å; L102-Y132 HydrophobicContact CD2-CG 4.08Å; L102-Y132 HydrophobicContact CG-CD2 3.96Å; L102-Y132 HydrophobicContact CG-CE2 4.34Å; M105-Y132 HydrophobicContact CE-CE2 4.41Å; R127-Y132 HydrophobicContact CB-CD2 4.04Å; R127-Y132 HydrophobicContact CB-CE2 3.83Å; R127-Y132 VanDerWaalsContact O-CD2 3.31Å; R127-Y132 WeakPolarHBondContact O-CD2 3.48Å; R127-Y132 PolarHBondContact O-N 3.27Å; Y132-A135 WeakPolarHBondContact O-CB 3.46Å; Y132-A135 PolarHBondContact O-N 2.92Å; Y132-A135 VanDerWaalsContact O-N 3.14Å; Y132-F136 VanDerWaalsContact O-CD2 3.26Å; Y132-F136 WeakPolarHBondContact O-CD2 3.29Å; Y132-F136 PolarHBondContact O-N 3.18Å
133L98.7Very high98.3Very high0 Ų060.9 Ų60.90%030%0.3CS..Hα-helixtrans-62.6-42.7-179.6-59.5-173.3000113T128 A135 F136 E137 L164 V167 L175 F178 L181T128-L133 HydrophobicContact CG2-CD1 3.6Å; T128-L133 HydrophobicContact CG2-CD2 4.39Å; T128-L133 HydrophobicContact CG2-CG 3.75Å; T128-L133 WeakPolarHBondContact O-CB 3.23Å; T128-L133 VanDerWaalsContact O-CG 3.32Å; T128-L133 WeakPolarHBondContact O-CG 3.44Å; T128-L133 PolarHBondContact O-N 3.49Å; T128-L133 VanDerWaalsContact O-N 3.12Å; L133-A135 PolarHBondContact O-N 3.43Å; L133-F136 PolarHBondContact O-N 3.24Å; L133-E137 WeakPolarHBondContact O-CB 3.47Å; L133-E137 PolarHBondContact O-N 3.41Å; L133-L164 HydrophobicContact CD2-CD2 3.77Å; L133-V167 HydrophobicContact CD1-CG1 4.41Å; L133-L175 HydrophobicContact CD1-CD2 3.88Å; L133-F178 HydrophobicContact CB-CD1 4.28Å; L133-F178 HydrophobicContact CB-CD2 3.81Å; L133-F178 HydrophobicContact CB-CE1 4.06Å; L133-F178 HydrophobicContact CB-CE2 3.55Å; L133-F178 HydrophobicContact CB-CG 4.17Å; L133-F178 HydrophobicContact CB-CZ 3.69Å; L133-F178 HydrophobicContact CD1-CD2 3.7Å; L133-F178 HydrophobicContact CD1-CE2 3.65Å; L133-F178 HydrophobicContact CG-CD2 4.44Å; L133-F178 HydrophobicContact CG-CE2 4.27Å; L133-L181 HydrophobicContact CB-CD1 3.85Å; L133-L181 HydrophobicContact CD2-CD1 3.91Å; L133-L181 HydrophobicContact CG-CD1 4.35Å; L133-L181 WeakPolarHBondContact O-CD1 3.29Å
134P98.8Very high98.3Very high46 Ų4660.1 Ų60.130%0.29931%0.312SS..Hα-helixtrans-58.5-34174-24.333.3000113.7K129 K138 F178K129-P134 VanDerWaalsContact O-CD 3.27Å; K129-P134 WeakPolarHBondContact O-CD 3.43Å; K129-P134 WeakPolarHBondContact O-CG 3Å; P134-K138 VanDerWaalsContact O-CB 3.29Å; P134-K138 WeakPolarHBondContact O-CB 3.18Å; P134-K138 PolarHBondContact O-N 2.85Å; P134-F178 HydrophobicContact CB-CE1 4.2Å; P134-F178 HydrophobicContact CG-CE1 3.76Å; P134-F178 HydrophobicContact CG-CZ 3.8Å
135A98.8Very high98.3Very high50 Ų5063.6 Ų63.641%0.41333%0.328SS..Hα-helixtrans-66.1-48.3178.900000111.4Y132 L133 K138 V139Y132-A135 WeakPolarHBondContact O-CB 3.46Å; Y132-A135 PolarHBondContact O-N 2.92Å; Y132-A135 VanDerWaalsContact O-N 3.14Å; L133-A135 PolarHBondContact O-N 3.43Å; A135-K138 WeakPolarHBondContact O-CB 3.44Å; A135-K138 PolarHBondContact O-N 3.4Å; A135-V139 WeakPolarHBondContact O-CG2 3.21Å; A135-V139 PolarHBondContact O-N 3.16Å
136F98.8Very high98.3Very high11 Ų1163.3 Ų63.35%0.04833%0.33CS..Hα-helixtrans-70.3-37178.5-67.4-65000112.9Y95 I99 Y132 L133 K138 V139 L140 L148 L160 L181Y95-F136 HydrophobicContact CD1-CE1 4.3Å; Y95-F136 HydrophobicContact CG-CE1 4.06Å; I99-F136 HydrophobicContact CD1-CE1 4.34Å; I99-F136 HydrophobicContact CD1-CZ 4.03Å; I99-F136 HydrophobicContact CG1-CE1 4.33Å; I99-F136 HydrophobicContact CG1-CE2 3.87Å; I99-F136 HydrophobicContact CG1-CZ 3.54Å; Y132-F136 VanDerWaalsContact O-CD2 3.26Å; Y132-F136 WeakPolarHBondContact O-CD2 3.29Å; Y132-F136 PolarHBondContact O-N 3.18Å; L133-F136 PolarHBondContact O-N 3.24Å; F136-K138 VanDerWaalsContact C-N 3.27Å; F136-K138 PolarHBondContact O-N 2.83Å; F136-V139 PolarHBondContact O-N 3.04Å; F136-L140 PolarHBondContact O-N 3.1Å; F136-L148 HydrophobicContact CD1-CD2 4.27Å; F136-L160 HydrophobicContact CB-CD2 4.09Å; F136-L160 HydrophobicContact CD1-CD2 4.21Å; F136-L160 HydrophobicContact CD2-CD1 3.87Å; F136-L160 HydrophobicContact CE2-CD1 4.27Å; F136-L160 HydrophobicContact CG-CD1 4.08Å; F136-L160 HydrophobicContact CG-CD2 4.09Å; F136-L181 HydrophobicContact CB-CD2 3.87Å
137E98.8Very high98.4Very high25 Ų2562.6 Ų62.612%0.11732%0.323CS..Hα-helixtrans-58-42.9171.7-173.277-175.900110.6L133 L140 K141 F178 P179 L180 L181L133-E137 WeakPolarHBondContact O-CB 3.47Å; L133-E137 PolarHBondContact O-N 3.41Å; E137-L140 PolarHBondContact O-N 3.34Å; E137-K141 WeakPolarHBondContact O-CB 3.34Å; E137-K141 PolarHBondContact O-N 3.19Å; E137-F178 HydrophobicContact CB-CD1 3.88Å; E137-F178 HydrophobicContact CG-CD1 4Å; E137-F178 WeakPolarHBondContact OE2-CB 3.26Å; E137-P179 WeakPolarHBondContact OE1-CD 3.45Å; E137-L180 WeakPolarHBondContact OE1-CB 3.13Å; E137-L180 WeakPolarHBondContact OE1-CG 3.38Å; E137-L180 PolarHBondContact OE1-N 3.13Å; E137-L180 WeakPolarHBondContact OE2-CB 3.4Å; E137-L180 PolarHBondContact OE2-N 3.33Å; E137-L181 HydrophobicContact CB-CD1 4.4Å; E137-L181 HydrophobicContact CB-CG 4.44Å; E137-L181 WeakPolarHBondContact OE2-CG 3.18Å; E137-L181 PolarHBondContact OE2-N 3.44Å
138K98.7Very high98.4Very high158 Ų15859.4 Ų59.469%0.68731%0.311SS*.Hα-helixtrans-65.1-40176.3-176.7-179.1177.8-177.10112.4P134 A135 F136 K141 S142P134-K138 VanDerWaalsContact O-CB 3.29Å; P134-K138 WeakPolarHBondContact O-CB 3.18Å; P134-K138 PolarHBondContact O-N 2.85Å; A135-K138 WeakPolarHBondContact O-CB 3.44Å; A135-K138 PolarHBondContact O-N 3.4Å; F136-K138 VanDerWaalsContact C-N 3.27Å; F136-K138 PolarHBondContact O-N 2.83Å; K138-K141 PolarHBondContact O-N 3.07Å; K138-S142 WeakPolarHBondContact O-CB 3.48Å; K138-S142 PolarHBondContact O-N 3.34Å
139V98.7Very high98.4Very high20 Ų2059.6 Ų59.612%0.12131%0.312CS..Hα-helixtrans-57.9-56.1175.2169.30000109.6Y95 A135 F136 K141 S142 H143 L148Y95-V139 HydrophobicContact CE1-CG2 4.09Å; Y95-V139 HydrophobicContact CE2-CG1 4.07Å; A135-V139 WeakPolarHBondContact O-CG2 3.21Å; A135-V139 PolarHBondContact O-N 3.16Å; F136-V139 PolarHBondContact O-N 3.04Å; V139-K141 VanDerWaalsContact C-N 3.27Å; V139-K141 PolarHBondContact O-N 2.91Å; V139-S142 WeakPolarHBondContact O-CB 3.35Å; V139-S142 PolarHBondContact O-N 3.21Å; V139-S142 PolarHBondContact O-OG 3.26Å; V139-H143 PolarHBondContact O-CD2 2.92Å; V139-H143 PolarHBondContact O-NE2 3.43Å; V139-L148 HydrophobicContact CG1-CD2 4.03Å
140L98.7Very high98.4Very high9 Ų956.4 Ų56.45%0.04731%0.309CS..Hα-helixtrans-56.5-41.2179.1-68.4172.1000112.1F136 E137 S142 G144 L148 L180 L181 F184F136-L140 PolarHBondContact O-N 3.1Å; E137-L140 PolarHBondContact O-N 3.34Å; L140-S142 VanDerWaalsContact C-N 3.34Å; L140-S142 PolarHBondContact O-N 2.88Å; L140-G144 WeakPolarHBondContact O-CA 3.5Å; L140-G144 PolarHBondContact O-N 3.22Å; L140-L148 HydrophobicContact CD2-CD2 3.86Å; L140-L148 HydrophobicContact CG-CD2 4.04Å; L140-L180 HydrophobicContact CB-CB 4.11Å; L140-L180 HydrophobicContact CB-CD1 4.07Å; L140-L180 HydrophobicContact CD1-CB 4.07Å; L140-L181 HydrophobicContact CD1-CD2 3.9Å; L140-L181 HydrophobicContact CD1-CG 4.5Å; L140-F184 HydrophobicContact CD1-CB 3.89Å; L140-F184 HydrophobicContact CD1-CD2 4.26Å; L140-F184 HydrophobicContact CD1-CG 4.18Å; L140-F184 HydrophobicContact CD2-CD2 4.02Å
141K98.6Very high98.4Very high164 Ų16455.5 Ų55.571%0.71330%0.304SS*.Hα-helixtrans-65.5-35.1177.1-169.9173.9-178.1176.70113.1E137 K138 V139 H143 L180E137-K141 WeakPolarHBondContact O-CB 3.34Å; E137-K141 PolarHBondContact O-N 3.19Å; K138-K141 PolarHBondContact O-N 3.07Å; V139-K141 VanDerWaalsContact C-N 3.27Å; V139-K141 PolarHBondContact O-N 2.91Å; K141-H143 VanDerWaalsContact C-N 3.33Å; K141-H143 PolarHBondContact O-N 3.08Å; K141-L180 HydrophobicContact CB-CD1 3.64Å; K141-L180 HydrophobicContact CG-CD1 4.32Å
142S98.4Very high98.4Very high95 Ų9553.7 Ų53.766%0.66430%0.298SS*.Hα-helixtrans-65.7-34.5-172.871.60000113.3K138 V139 L140K138-S142 WeakPolarHBondContact O-CB 3.48Å; K138-S142 PolarHBondContact O-N 3.34Å; V139-S142 WeakPolarHBondContact O-CB 3.35Å; V139-S142 PolarHBondContact O-N 3.21Å; V139-S142 PolarHBondContact O-OG 3.26Å; L140-S142 VanDerWaalsContact C-N 3.34Å; L140-S142 PolarHBondContact O-N 2.88Å
143H97.8Very high98.4Very high61 Ų6154.6 Ų54.628%0.28230%0.304SS..Hα-helixtrans-114.1-16.8-178.857.468.3000113.3V139 K141 Q145 Y147V139-H143 PolarHBondContact O-CD2 2.92Å; V139-H143 PolarHBondContact O-NE2 3.43Å; K141-H143 VanDerWaalsContact C-N 3.33Å; K141-H143 PolarHBondContact O-N 3.08Å; H143-Q145 VanDerWaalsContact C-N 3.28Å; H143-Q145 HydrophobicContact CB-CG 4.19Å; H143-Q145 WeakPolarHBondContact ND1-CB 3.42Å; H143-Q145 WeakPolarHBondContact ND1-CG 3.43Å; H143-Q145 PolarHBondContact ND1-N 3.32Å; H143-Q145 PolarHBondContact O-N 3.27Å; H143-Y147 PolarHBondContact CE1-O 2.86Å
144G97.4Very high98.4Very high66 Ų6654.6 Ų54.668%0.6830%0.304SS*.  trans64.530176.700000114L140L140-G144 WeakPolarHBondContact O-CA 3.5Å; L140-G144 PolarHBondContact O-N 3.22Å
145Q98.1Very high98.4Very high75 Ų7552.5 Ų52.535%0.3529%0.29SS..  trans-106.2169.2-177.1-57.2174.6-16.500110.8H143 N151H143-Q145 VanDerWaalsContact C-N 3.28Å; H143-Q145 HydrophobicContact CB-CG 4.19Å; H143-Q145 WeakPolarHBondContact ND1-CB 3.42Å; H143-Q145 WeakPolarHBondContact ND1-CG 3.43Å; H143-Q145 PolarHBondContact ND1-N 3.32Å; H143-Q145 PolarHBondContact O-N 3.27Å; Q145-N151 HydrophobicContact CB-CB 4.33Å; Q145-N151 HydrophobicContact CG-CB 4.31Å
146D97.9Very high98.4Very high64 Ų6450.1 Ų50.134%0.34227%0.27SS..SBendtrans-78.8-24-174.7-78.3-1.2000113.9R187D146-R187 IonicContact OD1-CZ 3.87Å; D146-R187 IonicContact OD1-NE 2.62Å; D146-R187 IonicContact OD1-NH1 2.67Å; D146-R187 PolarHBondContact OD1-NH1 2.99Å; D146-R187 IonicContact OD1-NH2 2.68Å; D146-R187 PolarHBondContact OD1-NH2 3.4Å; D146-R187 VanDerWaalsContact OD1-NH2 3.09Å; D146-R187 IonicContact OD2-CZ 3.05Å; D146-R187 IonicContact OD2-NE 2.86Å; D146-R187 IonicContact OD2-NH1 3.81Å; D146-R187 PolarHBondContact OD2-NH1 3.45Å
147Y98.7Very high98.4Very high46 Ų4649.6 Ų49.618%0.1827%0.268CS..SBendtrans-123.5157.6-177.8-56.9-80.9000110.6H143 V149 N151 R152 L153 D157 I188H143-Y147 PolarHBondContact CE1-O 2.86Å; Y147-V149 PolarHBondContact O-N 2.75Å; Y147-N151 VanDerWaalsContact CD2-C 3.5Å; Y147-R152 WeakPolarHBondContact CB-O 3.25Å; Y147-L153 HydrophobicContact CD1-CB 4.25Å; Y147-L153 HydrophobicContact CD1-CD1 4.14Å; Y147-L153 HydrophobicContact CE1-CB 3.87Å; Y147-L153 HydrophobicContact CE1-CD1 3.85Å; Y147-L153 HydrophobicContact CE1-CG 4.5Å; Y147-D157 WeakPolarHBondContact CA-OD1 3.22Å; Y147-D157 HydrophobicContact CD1-CB 4.47Å; Y147-I188 HydrophobicContact CD1-CD1 3.85Å; Y147-I188 HydrophobicContact CE1-CD1 3.67Å
148L98.7Very high98.4Very high4 Ų448.4 Ų48.42%0.02126%0.262CS..SBendtrans-68.3-31.2-175.9-69169.8000113.8Y95 F136 V139 L140 V156 D157 L160 F184Y95-L148 HydrophobicContact CD2-CB 4.37Å; Y95-L148 HydrophobicContact CE2-CB 4.46Å; F136-L148 HydrophobicContact CD1-CD2 4.27Å; V139-L148 HydrophobicContact CG1-CD2 4.03Å; L140-L148 HydrophobicContact CD2-CD2 3.86Å; L140-L148 HydrophobicContact CG-CD2 4.04Å; L148-V156 HydrophobicContact CB-CG2 4.19Å; L148-V156 HydrophobicContact CD1-CB 4.01Å; L148-V156 HydrophobicContact CD1-CG2 3.97Å; L148-D157 WeakPolarHBondContact CG-OD1 3.25Å; L148-D157 PolarHBondContact N-OD1 3.38Å; L148-L160 HydrophobicContact CD1-CB 4.19Å; L148-L160 HydrophobicContact CD1-CD2 3.73Å; L148-L160 HydrophobicContact CD2-CD2 4.04Å; L148-L160 HydrophobicContact CG-CD2 4.3Å; L148-F184 HydrophobicContact CG-CE2 4.26Å
149V98.7Very high98.4Very high5 Ų541 Ų413%0.0323%0.23CC..SBendtrans-138.9128.9-174.4-1770000110.6E88 L91 I92 Y95 Y147 N151 R152 V156E88-V149 HydrophobicContact CB-CG1 3.79Å; E88-V149 HydrophobicContact CG-CG1 3.82Å; L91-V149 HydrophobicContact CB-CG2 4.14Å; I92-V149 HydrophobicContact CD1-CG1 4.33Å; I92-V149 HydrophobicContact CG1-CB 4.11Å; I92-V149 HydrophobicContact CG1-CG1 4.1Å; I92-V149 HydrophobicContact CG1-CG2 3.89Å; Y95-V149 HydrophobicContact CD2-CG2 3.88Å; Y95-V149 HydrophobicContact CE2-CG2 3.64Å; Y147-V149 PolarHBondContact O-N 2.75Å; V149-N151 PolarHBondContact O-N 2.96Å; V149-N151 VanDerWaalsContact O-N 3.13Å; V149-R152 PolarHBondContact O-N 3.09Å; V149-V156 HydrophobicContact CG2-CG2 4.31Å
150G97.7Very high98.4Very high39 Ų3940 Ų4040%0.40222%0.224SC..THydrogen-bonded Turntrans65.416.4169.400000115.7R152G150-R152 PolarHBondContact O-N 3.3Å
151N97.3Very high98.4Very high85 Ų8539.6 Ų39.646%0.45522%0.222SC..THydrogen-bonded Turntrans49.135.5-173.3-160.327.8000114.3Q145 Y147 V149Q145-N151 HydrophobicContact CB-CB 4.33Å; Q145-N151 HydrophobicContact CG-CB 4.31Å; Y147-N151 VanDerWaalsContact CD2-C 3.5Å; V149-N151 PolarHBondContact O-N 2.96Å; V149-N151 VanDerWaalsContact O-N 3.13Å
152R97.7Very high98.4Very high83 Ų8332.1 Ų32.131%0.31319%0.19SC..SBendtrans-140.1157.8177.161.3174.5-67.7175.65.5110.1D80 Y147 V149 G150 T154D80-R152 PolarHBondContact O-NH2 3.12Å; D80-R152 IonicContact OD1-CZ 3.47Å; D80-R152 IonicContact OD1-NH1 3.48Å; D80-R152 IonicContact OD1-NH2 2.69Å; D80-R152 PolarHBondContact OD1-NH2 3.06Å; D80-R152 IonicContact OD2-CZ 3.86Å; D80-R152 IonicContact OD2-NH1 2.79Å; D80-R152 PolarHBondContact OD2-NH1 2.93Å; D80-R152 IonicContact OD2-NH2 3.36Å; D80-R152 PolarHBondContact OD2-NH2 3.09Å; Y147-R152 WeakPolarHBondContact CB-O 3.25Å; V149-R152 PolarHBondContact O-N 3.09Å; G150-R152 PolarHBondContact O-N 3.3Å; R152-T154 HydrophobicContact CG-CG2 4.31Å; R152-T154 PolarHBondContact O-N 3.22Å
153L98.7Very high98.4Very high40 Ų4027.6 Ų27.621%0.20916%0.158CC..  trans-63.2131.1175-174.769.6000110.7L81 Y147 D157 I158 I188 L191L81-L153 HydrophobicContact CD2-CD2 4.1Å; L81-L153 HydrophobicContact CD2-CG 4.03Å; Y147-L153 HydrophobicContact CD1-CB 4.25Å; Y147-L153 HydrophobicContact CD1-CD1 4.14Å; Y147-L153 HydrophobicContact CE1-CB 3.87Å; Y147-L153 HydrophobicContact CE1-CD1 3.85Å; Y147-L153 HydrophobicContact CE1-CG 4.5Å; L153-D157 HydrophobicContact CD1-CB 3.85Å; L153-I158 HydrophobicContact CD1-CD1 3.84Å; L153-I158 HydrophobicContact CD1-CG1 4.36Å; L153-I158 HydrophobicContact CD2-CD1 4.42Å; L153-I188 HydrophobicContact CD1-CD1 4.4Å; L153-L191 HydrophobicContact CD1-CD1 3.82Å; L153-L191 HydrophobicContact CD2-CD1 4.02Å
154T98.9Very high98.5Very high0 Ų024.7 Ų24.70%014%0.144CC..  trans-136.3171.2174.267.20000110.4L81 I92 R152 V156 D157L81-T154 CarbonylContact O-C 3.6Å; L81-T154 WeakPolarHBondContact O-CA 3.41Å; L81-T154 WeakPolarHBondContact O-CB 3.27Å; I92-T154 HydrophobicContact CD1-CG2 3.91Å; R152-T154 HydrophobicContact CG-CG2 4.31Å; R152-T154 PolarHBondContact O-N 3.22Å; T154-V156 PolarHBondContact O-N 2.86Å; T154-V156 WeakPolarHBondContact OG1-CG2 3.48Å; T154-D157 PolarHBondContact N-OD2 3.05Å; T154-D157 PolarHBondContact O-N 2.67Å; T154-D157 VanDerWaalsContact O-N 3.12Å; T154-D157 PolarHBondContact OG1-OD2 3.5Å
155R98.8Very high98.5Very high2 Ų222.4 Ų22.41%0.00812%0.117CC..Hα-helixtrans-56.9-32.5177.764.2176.8-73.2176-10.2113.3L22 L72 N73 A76 L81 I92 S96 D157 I158 H159L22-R155 HydrophobicContact CD1-CB 3.7Å; L22-R155 HydrophobicContact CD2-CB 4.4Å; L72-R155 VanDerWaalsContact CB-NH2 3.35Å; L72-R155 PolarHBondContact O-NH1 3.48Å; N73-R155 PolarHBondContact OD1-NH1 3.01Å; A76-R155 HydrophobicContact CB-CB 4.04Å; A76-R155 HydrophobicContact CB-CG 4.22Å; L81-R155 PolarHBondContact O-N 3.19Å; I92-R155 HydrophobicContact CG2-CG 3.59Å; S96-R155 PolarHBondContact OG-NH2 3.33Å; R155-D157 VanDerWaalsContact C-N 3.27Å; R155-D157 PolarHBondContact O-N 3.16Å; R155-I158 PolarHBondContact O-N 3.07Å; R155-H159 PolarHBondContact NE-CE1 3.11Å; R155-H159 PolarHBondContact O-CD2 2.8Å; R155-H159 PolarHBondContact O-N 2.9Å; R155-H159 PolarHBondContact O-ND1 3.07Å
156V98.8Very high98.4Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-71.3-27.8-178.5-75.20000111.7I92 Y95 I99 L148 V149 T154 I158 L160I92-V156 HydrophobicContact CB-CG1 4.34Å; I92-V156 HydrophobicContact CG1-CG2 4.16Å; I92-V156 HydrophobicContact CG2-CG1 3.78Å; I92-V156 HydrophobicContact CG2-CG2 4.44Å; I92-V156 WeakPolarHBondContact O-CG1 3.39Å; Y95-V156 HydrophobicContact CD2-CG2 4.49Å; I99-V156 HydrophobicContact CD1-CB 4.5Å; L148-V156 HydrophobicContact CB-CG2 4.19Å; L148-V156 HydrophobicContact CD1-CB 4.01Å; L148-V156 HydrophobicContact CD1-CG2 3.97Å; V149-V156 HydrophobicContact CG2-CG2 4.31Å; T154-V156 PolarHBondContact O-N 2.86Å; T154-V156 WeakPolarHBondContact OG1-CG2 3.48Å; V156-I158 VanDerWaalsContact C-N 3.33Å; V156-L160 WeakPolarHBondContact O-CB 3.44Å; V156-L160 PolarHBondContact O-N 3.5Å
157D98.9Very high98.3Very high0 Ų016.8 Ų16.80%09%0.088CC..Hα-helixtrans-68-40.2175.4-55.4-72.5000111Y147 L148 L153 T154 R155 L161 F184 I188Y147-D157 WeakPolarHBondContact CA-OD1 3.22Å; Y147-D157 HydrophobicContact CD1-CB 4.47Å; L148-D157 WeakPolarHBondContact CG-OD1 3.25Å; L148-D157 PolarHBondContact N-OD1 3.38Å; L153-D157 HydrophobicContact CD1-CB 3.85Å; T154-D157 PolarHBondContact N-OD2 3.05Å; T154-D157 PolarHBondContact O-N 2.67Å; T154-D157 VanDerWaalsContact O-N 3.12Å; T154-D157 PolarHBondContact OG1-OD2 3.5Å; R155-D157 VanDerWaalsContact C-N 3.27Å; R155-D157 PolarHBondContact O-N 3.16Å; D157-L161 WeakPolarHBondContact O-CB 3.36Å; D157-L161 PolarHBondContact O-N 3.08Å; D157-F184 HydrophobicContact CB-CE2 4.17Å; D157-F184 HydrophobicContact CB-CZ 3.76Å; D157-F184 WeakPolarHBondContact OD1-CE2 3.44Å; D157-I188 HydrophobicContact CB-CD1 4.28Å
158I98.9Very high98.2Very high0 Ų018.5 Ų18.50%010%0.097CC..Hα-helixtrans-67-47.6176.4-56.6-54.3000111.1W21 A25 L153 R155 V156 L160 L161 E162 I188 V194W21-I158 HydrophobicContact CB-CG2 3.99Å; W21-I158 HydrophobicContact CE3-CG2 4.24Å; A25-I158 HydrophobicContact CB-CD1 3.49Å; A25-I158 VanDerWaalsContact CB-CD1 3.49Å; A25-I158 HydrophobicContact CB-CG1 3.73Å; A25-I158 HydrophobicContact CB-CG2 4.07Å; L153-I158 HydrophobicContact CD1-CD1 3.84Å; L153-I158 HydrophobicContact CD1-CG1 4.36Å; L153-I158 HydrophobicContact CD2-CD1 4.42Å; R155-I158 PolarHBondContact O-N 3.07Å; V156-I158 VanDerWaalsContact C-N 3.33Å; I158-L160 VanDerWaalsContact C-N 3.34Å; I158-L160 PolarHBondContact O-N 3.35Å; I158-L161 PolarHBondContact O-N 2.8Å; I158-E162 PolarHBondContact O-N 3.29Å; I158-I188 HydrophobicContact CD1-CG2 4Å; I158-V194 HydrophobicContact CD1-CG2 3.98Å
159H98.8Very high98Very high3 Ų323.1 Ų23.11%0.01412%0.119CC..Hα-helixtrans-67.2-35.8179.3-60.4165.3000112I99 R155 E162 L163I99-H159 HydrophobicContact CD1-CB 4.23Å; I99-H159 HydrophobicContact CG2-CB 4.04Å; R155-H159 PolarHBondContact NE-CE1 3.11Å; R155-H159 PolarHBondContact O-CD2 2.8Å; R155-H159 PolarHBondContact O-N 2.9Å; R155-H159 PolarHBondContact O-ND1 3.07Å; H159-E162 PolarHBondContact O-N 2.64Å; H159-L163 WeakPolarHBondContact O-CB 3.46Å; H159-L163 PolarHBondContact O-N 2.91Å
160L98.9Very high97.6Very high0 Ų025.4 Ų25.40%013%0.128CC..Hα-helixtrans-66.4-43.8174.6-177.259.2000110.2I99 F136 L148 V156 I158 E162 L163 L164 L181 F184I99-L160 HydrophobicContact CD1-CB 3.93Å; I99-L160 HydrophobicContact CG1-CD1 4.45Å; F136-L160 HydrophobicContact CB-CD2 4.09Å; F136-L160 HydrophobicContact CD1-CD2 4.21Å; F136-L160 HydrophobicContact CD2-CD1 3.87Å; F136-L160 HydrophobicContact CE2-CD1 4.27Å; F136-L160 HydrophobicContact CG-CD1 4.08Å; F136-L160 HydrophobicContact CG-CD2 4.09Å; L148-L160 HydrophobicContact CD1-CB 4.19Å; L148-L160 HydrophobicContact CD1-CD2 3.73Å; L148-L160 HydrophobicContact CD2-CD2 4.04Å; L148-L160 HydrophobicContact CG-CD2 4.3Å; V156-L160 WeakPolarHBondContact O-CB 3.44Å; V156-L160 PolarHBondContact O-N 3.5Å; I158-L160 VanDerWaalsContact C-N 3.34Å; I158-L160 PolarHBondContact O-N 3.35Å; L160-E162 VanDerWaalsContact C-N 3.35Å; L160-E162 PolarHBondContact O-N 3.41Å; L160-L163 HydrophobicContact CD1-CD2 4.3Å; L160-L163 PolarHBondContact O-N 3.43Å; L160-L164 HydrophobicContact CD1-CD2 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.22Å; L160-L164 HydrophobicContact CG-CD1 4.2Å; L160-L164 HydrophobicContact CG-CG 4.27Å; L160-L164 VanDerWaalsContact O-CG 3.25Å; L160-L164 WeakPolarHBondContact O-CG 3.34Å; L160-L164 PolarHBondContact O-N 2.96Å; L160-L181 HydrophobicContact CD2-CD2 3.81Å; L160-F184 HydrophobicContact CB-CE1 4.08Å; L160-F184 HydrophobicContact CB-CZ 4.41Å; L160-F184 HydrophobicContact CD2-CD1 4.2Å; L160-F184 HydrophobicContact CD2-CE1 3.85Å; L160-F184 HydrophobicContact CD2-CZ 4.2Å; L160-F184 HydrophobicContact CG-CE1 3.98Å
161L98.9Very high97.5Very high0 Ų025.3 Ų25.30%012%0.119CC..Hα-helixtrans-56.3-49.1174.3170.461.9000111.7W21 D157 I158 L163 L164 L165 K185 I188 S189 V194W21-L161 HydrophobicContact CH2-CD2 4.22Å; W21-L161 HydrophobicContact CH2-CG 4.35Å; W21-L161 HydrophobicContact CZ3-CD2 3.75Å; W21-L161 HydrophobicContact CZ3-CG 4.17Å; D157-L161 WeakPolarHBondContact O-CB 3.36Å; D157-L161 PolarHBondContact O-N 3.08Å; I158-L161 PolarHBondContact O-N 2.8Å; L161-L163 VanDerWaalsContact C-N 3.3Å; L161-L163 PolarHBondContact O-N 3.24Å; L161-L164 PolarHBondContact O-N 3.49Å; L161-L165 HydrophobicContact CD1-CD1 4.08Å; L161-L165 HydrophobicContact CD1-CG 4.18Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; L161-L165 WeakPolarHBondContact O-CG 3.43Å; L161-L165 PolarHBondContact O-N 2.66Å; L161-K185 HydrophobicContact CD1-CB 4.38Å; L161-K185 HydrophobicContact CD1-CG 3.65Å; L161-I188 HydrophobicContact CB-CB 4.34Å; L161-I188 HydrophobicContact CB-CG2 4.02Å; L161-I188 HydrophobicContact CD2-CB 3.96Å; L161-I188 HydrophobicContact CD2-CG2 3.55Å; L161-I188 HydrophobicContact CG-CG2 4.37Å; L161-S189 WeakPolarHBondContact CD1-OG 3.49Å; L161-V194 HydrophobicContact CD2-CG1 3.54Å
162E98.7Very high97.4Very high6 Ų623.9 Ų23.93%0.02812%0.119CC..Hα-helixtrans-53.9-49.4176.8178.2-174.3-167.100110.8C18 W21 I158 H159 L160 L164 L165 Y166C18-E162 WeakPolarHBondContact CA-OE2 3.39Å; C18-E162 VanDerWaalsContact CB-OE2 3.24Å; C18-E162 WeakPolarHBondContact CB-OE2 3.46Å; C18-E162 PolarHBondContact N-OE1 3.47Å; W21-E162 VanDerWaalsContact CD1-CD 3.47Å; W21-E162 HydrophobicContact CD2-CB 4.21Å; W21-E162 HydrophobicContact CD2-CG 4.49Å; W21-E162 HydrophobicContact CG-CB 4.26Å; W21-E162 HydrophobicContact CG-CG 4.27Å; I158-E162 PolarHBondContact O-N 3.29Å; H159-E162 PolarHBondContact O-N 2.64Å; L160-E162 VanDerWaalsContact C-N 3.35Å; L160-E162 PolarHBondContact O-N 3.41Å; E162-L164 PolarHBondContact O-N 3.04Å; E162-L165 WeakPolarHBondContact O-CB 3.33Å; E162-L165 PolarHBondContact O-N 3.41Å; E162-Y166 HydrophobicContact CG-CD2 4.32Å; E162-Y166 HydrophobicContact CG-CE1 4.42Å; E162-Y166 HydrophobicContact CG-CE2 3.6Å; E162-Y166 PolarHBondContact O-N 2.65Å; E162-Y166 VanDerWaalsContact O-N 3.09Å; E162-Y166 PolarHBondContact OE1-OH 2.99Å
163L98.5Very high97.4Very high0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-60.8-43.7177.9172.462.9000112.4I99 L102 I106 H159 L160 L161 L165 Y166 V167I99-L163 HydrophobicContact CB-CD2 4.35Å; I99-L163 HydrophobicContact CG1-CD2 4.25Å; I99-L163 HydrophobicContact CG2-CB 4.08Å; I99-L163 HydrophobicContact CG2-CD2 3.94Å; L102-L163 HydrophobicContact CB-CD1 4.31Å; L102-L163 HydrophobicContact CB-CD2 4.38Å; L102-L163 HydrophobicContact CD2-CD1 3.85Å; L102-L163 HydrophobicContact CD2-CD2 3.92Å; L102-L163 HydrophobicContact CD2-CG 4.32Å; L102-L163 HydrophobicContact CG-CD1 3.88Å; L102-L163 HydrophobicContact CG-CD2 4.47Å; I106-L163 HydrophobicContact CD1-CD1 3.84Å; H159-L163 WeakPolarHBondContact O-CB 3.46Å; H159-L163 PolarHBondContact O-N 2.91Å; L160-L163 HydrophobicContact CD1-CD2 4.3Å; L160-L163 PolarHBondContact O-N 3.43Å; L161-L163 VanDerWaalsContact C-N 3.3Å; L161-L163 PolarHBondContact O-N 3.24Å; L163-L165 PolarHBondContact O-N 3.38Å; L163-Y166 WeakPolarHBondContact O-CB 3.49Å; L163-Y166 PolarHBondContact O-N 2.97Å; L163-Y166 VanDerWaalsContact O-N 3.13Å; L163-V167 HydrophobicContact CD1-CG2 4.16Å; L163-V167 HydrophobicContact CG-CG2 4.45Å; L163-V167 WeakPolarHBondContact O-CG2 3.39Å; L163-V167 PolarHBondContact O-N 3.3Å
164L98.6Very high97.4Very high0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-62.6-33.5179-64.3174.3000111.7L133 L160 L161 E162 V167 E168 L175 L181 F184 K185L133-L164 HydrophobicContact CD2-CD2 3.77Å; L160-L164 HydrophobicContact CD1-CD2 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.22Å; L160-L164 HydrophobicContact CG-CD1 4.2Å; L160-L164 HydrophobicContact CG-CG 4.27Å; L160-L164 VanDerWaalsContact O-CG 3.25Å; L160-L164 WeakPolarHBondContact O-CG 3.34Å; L160-L164 PolarHBondContact O-N 2.96Å; L161-L164 PolarHBondContact O-N 3.49Å; E162-L164 PolarHBondContact O-N 3.04Å; L164-V167 PolarHBondContact O-N 3.09Å; L164-E168 WeakPolarHBondContact O-CB 3.19Å; L164-E168 PolarHBondContact O-N 3.2Å; L164-L175 HydrophobicContact CD2-CD2 3.53Å; L164-L181 HydrophobicContact CD1-CB 4.41Å; L164-L181 HydrophobicContact CD1-CD2 4.34Å; L164-L181 HydrophobicContact CD2-CB 4.38Å; L164-L181 HydrophobicContact CD2-CD1 4.27Å; L164-L181 HydrophobicContact CD2-CD2 4.41Å; L164-F184 HydrophobicContact CD1-CD1 4Å; L164-F184 HydrophobicContact CD1-CE1 4.48Å; L164-K185 HydrophobicContact CD1-CB 3.98Å
165L97.9Very high97.3Very high19 Ų1922.3 Ų22.310%0.09912%0.122CC..Hα-helixtrans-68.6-40.9173.8-67.6167.2000111.6W21 L161 E162 L163 V167 E168 E169 K185 L198W21-L165 HydrophobicContact CH2-CD1 3.4Å; W21-L165 VanDerWaalsContact CH2-CD1 3.4Å; W21-L165 HydrophobicContact CZ2-CD1 3.61Å; L161-L165 HydrophobicContact CD1-CD1 4.08Å; L161-L165 HydrophobicContact CD1-CG 4.18Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; L161-L165 WeakPolarHBondContact O-CG 3.43Å; L161-L165 PolarHBondContact O-N 2.66Å; E162-L165 WeakPolarHBondContact O-CB 3.33Å; E162-L165 PolarHBondContact O-N 3.41Å; L163-L165 PolarHBondContact O-N 3.38Å; L165-V167 VanDerWaalsContact C-N 3.35Å; L165-E168 PolarHBondContact O-N 3Å; L165-E169 WeakPolarHBondContact O-CG 3.44Å; L165-E169 PolarHBondContact O-N 2.93Å; L165-K185 VanDerWaalsContact CD2-CE 3.4Å; L165-L198 HydrophobicContact CD1-CD2 3.95Å
166Y96.4Very high97.3Very high20 Ų2026.4 Ų26.48%0.07815%0.147CC..Hα-helixtrans-62.4-41.7172.1-64.3-25.5000112.5R13 E17 T103 E162 L163 E168 E169 F170R13-Y166 VanDerWaalsContact NH1-CE1 3.26Å; E17-Y166 WeakPolarHBondContact CB-OH 3.39Å; E17-Y166 WeakPolarHBondContact CG-OH 3.25Å; T103-Y166 HydrophobicContact CG2-CD2 4.37Å; T103-Y166 HydrophobicContact CG2-CE2 4.15Å; E162-Y166 HydrophobicContact CG-CD2 4.32Å; E162-Y166 HydrophobicContact CG-CE1 4.42Å; E162-Y166 HydrophobicContact CG-CE2 3.6Å; E162-Y166 PolarHBondContact O-N 2.65Å; E162-Y166 VanDerWaalsContact O-N 3.09Å; E162-Y166 PolarHBondContact OE1-OH 2.99Å; L163-Y166 WeakPolarHBondContact O-CB 3.49Å; L163-Y166 PolarHBondContact O-N 2.97Å; L163-Y166 VanDerWaalsContact O-N 3.13Å; Y166-E168 VanDerWaalsContact C-N 3.3Å; Y166-E168 PolarHBondContact O-N 3.4Å; Y166-E169 PolarHBondContact O-N 3.3Å; Y166-F170 WeakPolarHBondContact O-CB 3.44Å; Y166-F170 PolarHBondContact O-N 3.24Å
167V96.7Very high97.2Very high0 Ų030 Ų300%017%0.171CC..Hα-helixtrans-62.2-39.9176.11710000110.9I106 T128 L133 L163 L164 L165 F170 D171 L174 L175I106-V167 HydrophobicContact CD1-CG2 4.29Å; T128-V167 HydrophobicContact CG2-CG1 3.81Å; T128-V167 HydrophobicContact CG2-CG2 3.78Å; L133-V167 HydrophobicContact CD1-CG1 4.41Å; L163-V167 HydrophobicContact CD1-CG2 4.16Å; L163-V167 HydrophobicContact CG-CG2 4.45Å; L163-V167 WeakPolarHBondContact O-CG2 3.39Å; L163-V167 PolarHBondContact O-N 3.3Å; L164-V167 PolarHBondContact O-N 3.09Å; L165-V167 VanDerWaalsContact C-N 3.35Å; V167-F170 PolarHBondContact O-N 3.09Å; V167-D171 CarbonylContact O-C 3.26Å; V167-D171 VanDerWaalsContact O-C 3.26Å; V167-D171 PolarHBondContact O-N 3.37Å; V167-L174 HydrophobicContact CG1-CB 3.83Å; V167-L174 HydrophobicContact CG1-CD1 4.1Å; V167-L175 HydrophobicContact CG1-CD2 4.28Å; V167-L175 HydrophobicContact CG1-CG 4.05Å
168E96.2Very high97.2Very high82 Ų8230.8 Ų30.838%0.38317%0.174SC..Hα-helixtrans-66.7-43.3177.5-174.4173.3-102.700112.9L164 L165 Y166 F170 A172 L175 K185L164-E168 WeakPolarHBondContact O-CB 3.19Å; L164-E168 PolarHBondContact O-N 3.2Å; L165-E168 PolarHBondContact O-N 3Å; Y166-E168 VanDerWaalsContact C-N 3.3Å; Y166-E168 PolarHBondContact O-N 3.4Å; E168-F170 PolarHBondContact O-N 3.08Å; E168-A172 HydrophobicContact CG-CB 4.01Å; E168-A172 PolarHBondContact O-N 3.46Å; E168-L175 HydrophobicContact CB-CD1 4.05Å; E168-K185 IonicContact OE1-NZ 2.77Å; E168-K185 PolarHBondContact OE1-NZ 2.62Å; E168-K185 IonicContact OE2-NZ 2.92Å; E168-K185 PolarHBondContact OE2-NZ 3.25Å
169E94.1Very high97.2Very high101 Ų10134.7 Ų34.747%0.47220%0.2SC..Hα-helixtrans-63.3-33.1173.9-70.9175.7-178.100111.8R13 L165 Y166R13-E169 IonicContact CZ-OE1 3.64Å; R13-E169 IonicContact CZ-OE2 2.7Å; R13-E169 VanDerWaalsContact CZ-OE2 3.31Å; R13-E169 IonicContact NH1-OE1 3.27Å; R13-E169 IonicContact NH1-OE2 2.91Å; R13-E169 PolarHBondContact NH1-OE2 3.41Å; R13-E169 IonicContact NH2-OE1 2.69Å; R13-E169 PolarHBondContact NH2-OE1 3.06Å; R13-E169 IonicContact NH2-OE2 3.91Å; R13-E169 PolarHBondContact NH2-OE2 3.23Å; L165-E169 WeakPolarHBondContact O-CG 3.44Å; L165-E169 PolarHBondContact O-N 2.93Å; Y166-E169 PolarHBondContact O-N 3.3Å
170F91.1Very high97.2Very high53 Ų5337.8 Ų37.823%0.23222%0.216CC..Hα-helixtrans-77.4-50.4-179.7175.8-126.9000113.1L109 T121 A124 K125 Y166 V167 E168 L174L109-F170 HydrophobicContact CD1-CD2 4.1Å; L109-F170 HydrophobicContact CD1-CE2 3.38Å; L109-F170 HydrophobicContact CD1-CZ 3.63Å; T121-F170 HydrophobicContact CG2-CE2 3.89Å; T121-F170 HydrophobicContact CG2-CZ 3.81Å; A124-F170 HydrophobicContact CB-CE1 4.26Å; A124-F170 HydrophobicContact CB-CZ 4.21Å; K125-F170 HydrophobicContact CB-CE1 4.46Å; K125-F170 HydrophobicContact CD-CE1 4.38Å; K125-F170 HydrophobicContact CD-CZ 4.34Å; K125-F170 HydrophobicContact CG-CD1 4.45Å; K125-F170 HydrophobicContact CG-CE1 3.39Å; K125-F170 HydrophobicContact CG-CZ 3.57Å; Y166-F170 WeakPolarHBondContact O-CB 3.44Å; Y166-F170 PolarHBondContact O-N 3.24Å; V167-F170 PolarHBondContact O-N 3.09Å; E168-F170 PolarHBondContact O-N 3.08Å; F170-L174 HydrophobicContact CD1-CD1 4.05Å; F170-L174 HydrophobicContact CE1-CD1 4.26Å
171D94.5Very high97.2Very high37 Ų3737.8 Ų37.820%0.19822%0.216CC..Hα-helixtrans-165.995.8175.9-174.9-19.1000110K125 V167 S173 L174K125-D171 WeakPolarHBondContact CE-OD2 3.42Å; K125-D171 IonicContact NZ-OD2 2.71Å; K125-D171 PolarHBondContact NZ-OD2 3.32Å; V167-D171 CarbonylContact O-C 3.26Å; V167-D171 VanDerWaalsContact O-C 3.26Å; V167-D171 PolarHBondContact O-N 3.37Å; D171-S173 PolarHBondContact O-N 3.42Å; D171-S173 VanDerWaalsContact OD1-CB 3.27Å; D171-S173 WeakPolarHBondContact OD1-CB 3.31Å; D171-S173 PolarHBondContact OD1-N 2.91Å; D171-S173 PolarHBondContact OD1-OG 2.95Å; D171-L174 HydrophobicContact CB-CD1 3.79Å; D171-L174 HydrophobicContact CB-CG 3.91Å; D171-L174 WeakPolarHBondContact O-CB 3.02Å; D171-L174 WeakPolarHBondContact O-CG 3.35Å; D171-L174 PolarHBondContact O-N 2.92Å
172A96.5Very high97.2Very high55 Ų5542.3 Ų42.346%0.45524%0.236SC..G310 helixtrans-56.3-24.1-179.400000114.5E168 L174 L175E168-A172 HydrophobicContact CG-CB 4.01Å; E168-A172 PolarHBondContact O-N 3.46Å; A172-L174 PolarHBondContact O-N 2.87Å; A172-L175 PolarHBondContact O-N 3.38Å
173S97.2Very high97.1Very high72 Ų7244.3 Ų44.350%0.50325%0.253SS..G310 helixtrans-66.5-23.8179.377.60000112.6D171 L175 T176D171-S173 PolarHBondContact O-N 3.42Å; D171-S173 VanDerWaalsContact OD1-CB 3.27Å; D171-S173 WeakPolarHBondContact OD1-CB 3.31Å; D171-S173 PolarHBondContact OD1-N 2.91Å; D171-S173 PolarHBondContact OD1-OG 2.95Å; S173-L175 PolarHBondContact O-N 2.87Å; S173-T176 VanDerWaalsContact O-CB 3.31Å; S173-T176 WeakPolarHBondContact O-CB 3.41Å; S173-T176 PolarHBondContact O-N 3.44Å; S173-T176 VanDerWaalsContact O-N 3.12Å; S173-T176 PolarHBondContact O-OG1 3.37Å
174L97.8Very high97.2Very high11 Ų1144.5 Ų44.56%0.05825%0.254CS..G310 helixtrans-63.6-27.2179.2-65174.7000112.7K125 T128 K129 V167 F170 D171 A172 F178K125-L174 HydrophobicContact CG-CD1 4.3Å; T128-L174 HydrophobicContact CG2-CB 4.32Å; T128-L174 HydrophobicContact CG2-CD1 3.94Å; K129-L174 HydrophobicContact CB-CD2 4.11Å; V167-L174 HydrophobicContact CG1-CB 3.83Å; V167-L174 HydrophobicContact CG1-CD1 4.1Å; F170-L174 HydrophobicContact CD1-CD1 4.05Å; F170-L174 HydrophobicContact CE1-CD1 4.26Å; D171-L174 HydrophobicContact CB-CD1 3.79Å; D171-L174 HydrophobicContact CB-CG 3.91Å; D171-L174 WeakPolarHBondContact O-CB 3.02Å; D171-L174 WeakPolarHBondContact O-CG 3.35Å; D171-L174 PolarHBondContact O-N 2.92Å; A172-L174 PolarHBondContact O-N 2.87Å; L174-F178 VanDerWaalsContact O-CD2 3.26Å; L174-F178 WeakPolarHBondContact O-CD2 3.42Å; L174-F178 WeakPolarHBondContact O-CE2 3.42Å
175L97.7Very high97.2Very high7 Ų746 Ų464%0.03726%0.261CS..G310 helixtrans-83.5-15.3178.1-69.9172.7000113.3L133 L164 V167 E168 A172 S173 P177 F178 K182L133-L175 HydrophobicContact CD1-CD2 3.88Å; L164-L175 HydrophobicContact CD2-CD2 3.53Å; V167-L175 HydrophobicContact CG1-CD2 4.28Å; V167-L175 HydrophobicContact CG1-CG 4.05Å; E168-L175 HydrophobicContact CB-CD1 4.05Å; A172-L175 PolarHBondContact O-N 3.38Å; S173-L175 PolarHBondContact O-N 2.87Å; L175-P177 VanDerWaalsContact C-CD 3.46Å; L175-F178 PolarHBondContact O-N 3.47Å; L175-F178 VanDerWaalsContact O-N 3.09Å; L175-K182 VanDerWaalsContact O-CE 3.25Å; L175-K182 WeakPolarHBondContact O-CE 3.5Å
176T97.5Very high97.2Very high88 Ų8849.1 Ų49.154%0.5428%0.284SS..THydrogen-bonded Turntrans-52.9-43.6-173.9-62.70000114.6S173 F178S173-T176 VanDerWaalsContact O-CB 3.31Å; S173-T176 WeakPolarHBondContact O-CB 3.41Å; S173-T176 PolarHBondContact O-N 3.44Å; S173-T176 VanDerWaalsContact O-N 3.12Å; S173-T176 PolarHBondContact O-OG1 3.37Å; T176-F178 PolarHBondContact O-N 3.46Å
177P97.9Very high97.3Very high76 Ų7652.5 Ų52.549%0.49430%0.296SS..THydrogen-bonded Turntrans-74.1-3.4-178.6-17.733.5000115.5L175 P179L175-P177 VanDerWaalsContact C-CD 3.46Å; P177-P179 WeakPolarHBondContact O-CD 3.35Å
178F98.5Very high97.4Very high16 Ų1652.5 Ų52.57%0.0730%0.296CS..  trans-118.975.7-166.7-55.2-69.9000112L133 P134 E137 L174 L175 T176 L180 L181 K182L133-F178 HydrophobicContact CB-CD1 4.28Å; L133-F178 HydrophobicContact CB-CD2 3.81Å; L133-F178 HydrophobicContact CB-CE1 4.06Å; L133-F178 HydrophobicContact CB-CE2 3.55Å; L133-F178 HydrophobicContact CB-CG 4.17Å; L133-F178 HydrophobicContact CB-CZ 3.69Å; L133-F178 HydrophobicContact CD1-CD2 3.7Å; L133-F178 HydrophobicContact CD1-CE2 3.65Å; L133-F178 HydrophobicContact CG-CD2 4.44Å; L133-F178 HydrophobicContact CG-CE2 4.27Å; P134-F178 HydrophobicContact CB-CE1 4.2Å; P134-F178 HydrophobicContact CG-CE1 3.76Å; P134-F178 HydrophobicContact CG-CZ 3.8Å; E137-F178 HydrophobicContact CB-CD1 3.88Å; E137-F178 HydrophobicContact CG-CD1 4Å; E137-F178 WeakPolarHBondContact OE2-CB 3.26Å; L174-F178 VanDerWaalsContact O-CD2 3.26Å; L174-F178 WeakPolarHBondContact O-CD2 3.42Å; L174-F178 WeakPolarHBondContact O-CE2 3.42Å; L175-F178 PolarHBondContact O-N 3.47Å; L175-F178 VanDerWaalsContact O-N 3.09Å; T176-F178 PolarHBondContact O-N 3.46Å; F178-L180 VanDerWaalsContact C-N 3.35Å; F178-L180 PolarHBondContact O-N 3.38Å; F178-L181 HydrophobicContact CB-CB 3.96Å; F178-L181 HydrophobicContact CB-CD1 3.88Å; F178-L181 HydrophobicContact CB-CG 4.24Å; F178-L181 HydrophobicContact CG-CD1 4.15Å; F178-L181 PolarHBondContact O-N 2.86Å; F178-K182 PolarHBondContact O-N 3.31Å
179P98.5Very high97.5Very high83 Ų8349.7 Ų49.754%0.53929%0.286SS..Hα-helixtrans-62.9-35.3-175.925.6-35.4000113.7E137 P177 K182 A183E137-P179 WeakPolarHBondContact OE1-CD 3.45Å; P177-P179 WeakPolarHBondContact O-CD 3.35Å; P179-K182 PolarHBondContact O-N 3.2Å; P179-A183 PolarHBondContact O-N 2.97Å
180L98.7Very high97.7Very high67 Ų6748.4 Ų48.435%0.35129%0.288SS..Hα-helixtrans-69.9-40.1179-57.3177.6000110.9E137 L140 K141 F178 K182 A183 F184E137-L180 WeakPolarHBondContact OE1-CB 3.13Å; E137-L180 WeakPolarHBondContact OE1-CG 3.38Å; E137-L180 PolarHBondContact OE1-N 3.13Å; E137-L180 WeakPolarHBondContact OE2-CB 3.4Å; E137-L180 PolarHBondContact OE2-N 3.33Å; L140-L180 HydrophobicContact CB-CB 4.11Å; L140-L180 HydrophobicContact CB-CD1 4.07Å; L140-L180 HydrophobicContact CD1-CB 4.07Å; K141-L180 HydrophobicContact CB-CD1 3.64Å; K141-L180 HydrophobicContact CG-CD1 4.32Å; F178-L180 VanDerWaalsContact C-N 3.35Å; F178-L180 PolarHBondContact O-N 3.38Å; L180-K182 VanDerWaalsContact C-N 3.32Å; L180-K182 PolarHBondContact O-N 3.46Å; L180-A183 PolarHBondContact O-N 2.78Å; L180-F184 WeakPolarHBondContact O-CB 3.33Å; L180-F184 PolarHBondContact O-N 3.27Å
181L98.8Very high98.1Very high0 Ų047.6 Ų47.60%029%0.286CS..Hα-helixtrans-62.9-37172.8-72.1177.5000112.7L133 F136 E137 L140 L160 L164 F178 K185L133-L181 HydrophobicContact CB-CD1 3.85Å; L133-L181 HydrophobicContact CD2-CD1 3.91Å; L133-L181 HydrophobicContact CG-CD1 4.35Å; L133-L181 WeakPolarHBondContact O-CD1 3.29Å; F136-L181 HydrophobicContact CB-CD2 3.87Å; E137-L181 HydrophobicContact CB-CD1 4.4Å; E137-L181 HydrophobicContact CB-CG 4.44Å; E137-L181 WeakPolarHBondContact OE2-CG 3.18Å; E137-L181 PolarHBondContact OE2-N 3.44Å; L140-L181 HydrophobicContact CD1-CD2 3.9Å; L140-L181 HydrophobicContact CD1-CG 4.5Å; L160-L181 HydrophobicContact CD2-CD2 3.81Å; L164-L181 HydrophobicContact CD1-CB 4.41Å; L164-L181 HydrophobicContact CD1-CD2 4.34Å; L164-L181 HydrophobicContact CD2-CB 4.38Å; L164-L181 HydrophobicContact CD2-CD1 4.27Å; L164-L181 HydrophobicContact CD2-CD2 4.41Å; F178-L181 HydrophobicContact CB-CB 3.96Å; F178-L181 HydrophobicContact CB-CD1 3.88Å; F178-L181 HydrophobicContact CB-CG 4.24Å; F178-L181 HydrophobicContact CG-CD1 4.15Å; F178-L181 PolarHBondContact O-N 2.86Å; L181-K185 WeakPolarHBondContact O-CB 3.49Å; L181-K185 PolarHBondContact O-N 3.39Å
182K98.5Very high98.3Very high96 Ų9650.8 Ų50.842%0.41731%0.309SS..Hα-helixtrans-63.4-46172.5-74.7-180170-177.20112L175 F178 P179 L180 K185 S186L175-K182 VanDerWaalsContact O-CE 3.25Å; L175-K182 WeakPolarHBondContact O-CE 3.5Å; F178-K182 PolarHBondContact O-N 3.31Å; P179-K182 PolarHBondContact O-N 3.2Å; L180-K182 VanDerWaalsContact C-N 3.32Å; L180-K182 PolarHBondContact O-N 3.46Å; K182-K185 PolarHBondContact O-N 3.45Å; K182-S186 PolarHBondContact O-N 3Å; K182-S186 VanDerWaalsContact O-N 3.13Å
183A98.5Very high98.4Very high48 Ų4851.5 Ų51.540%0.39731%0.305SS..Hα-helixtrans-63.7-43.6177.100000111.5P179 L180 S186 R187P179-A183 PolarHBondContact O-N 2.97Å; L180-A183 PolarHBondContact O-N 2.78Å; A183-S186 WeakPolarHBondContact O-CB 3.33Å; A183-S186 PolarHBondContact O-N 3.13Å; A183-R187 PolarHBondContact O-N 3.28Å
184F98.8Very high98.5Very high4 Ų448.2 Ų48.22%0.01828%0.282CS..Hα-helixtrans-56.8-51.8174.2174.5-88.3000111.4L140 L148 D157 L160 L164 L180 S186 R187 I188L140-F184 HydrophobicContact CD1-CB 3.89Å; L140-F184 HydrophobicContact CD1-CD2 4.26Å; L140-F184 HydrophobicContact CD1-CG 4.18Å; L140-F184 HydrophobicContact CD2-CD2 4.02Å; L148-F184 HydrophobicContact CG-CE2 4.26Å; D157-F184 HydrophobicContact CB-CE2 4.17Å; D157-F184 HydrophobicContact CB-CZ 3.76Å; D157-F184 WeakPolarHBondContact OD1-CE2 3.44Å; L160-F184 HydrophobicContact CB-CE1 4.08Å; L160-F184 HydrophobicContact CB-CZ 4.41Å; L160-F184 HydrophobicContact CD2-CD1 4.2Å; L160-F184 HydrophobicContact CD2-CE1 3.85Å; L160-F184 HydrophobicContact CD2-CZ 4.2Å; L160-F184 HydrophobicContact CG-CE1 3.98Å; L164-F184 HydrophobicContact CD1-CD1 4Å; L164-F184 HydrophobicContact CD1-CE1 4.48Å; L180-F184 WeakPolarHBondContact O-CB 3.33Å; L180-F184 PolarHBondContact O-N 3.27Å; F184-S186 VanDerWaalsContact C-N 3.29Å; F184-S186 PolarHBondContact O-N 3Å; F184-R187 PolarHBondContact O-N 2.97Å; F184-R187 VanDerWaalsContact O-N 3.12Å; F184-I188 HydrophobicContact CD1-CG1 4.2Å; F184-I188 HydrophobicContact CD2-CG1 4.16Å; F184-I188 HydrophobicContact CE1-CG1 3.72Å; F184-I188 HydrophobicContact CE2-CD1 3.98Å; F184-I188 HydrophobicContact CE2-CG1 3.7Å; F184-I188 HydrophobicContact CG-CG1 4.37Å; F184-I188 HydrophobicContact CZ-CD1 4.12Å; F184-I188 HydrophobicContact CZ-CG1 3.44Å; F184-I188 VanDerWaalsContact CZ-CG1 3.44Å; F184-I188 WeakPolarHBondContact O-CG1 3.49Å; F184-I188 PolarHBondContact O-N 2.9Å
185K98.8Very high98.5Very high32 Ų3253.3 Ų53.314%0.13930%0.304CS..Hα-helixtrans-52.9-48.2177-177.9-166.6173.4-161.60111.3L161 L164 L165 E168 L181 K182 S189L161-K185 HydrophobicContact CD1-CB 4.38Å; L161-K185 HydrophobicContact CD1-CG 3.65Å; L164-K185 HydrophobicContact CD1-CB 3.98Å; L165-K185 VanDerWaalsContact CD2-CE 3.4Å; E168-K185 IonicContact OE1-NZ 2.77Å; E168-K185 PolarHBondContact OE1-NZ 2.62Å; E168-K185 IonicContact OE2-NZ 2.92Å; E168-K185 PolarHBondContact OE2-NZ 3.25Å; L181-K185 WeakPolarHBondContact O-CB 3.49Å; L181-K185 PolarHBondContact O-N 3.39Å; K182-K185 PolarHBondContact O-N 3.45Å; K185-S189 WeakPolarHBondContact O-CB 3.42Å; K185-S189 PolarHBondContact O-N 3Å; K185-S189 PolarHBondContact O-OG 2.68Å
186S98.6Very high98.6Very high83 Ų8359.9 Ų59.958%0.5833%0.332SS*.Hα-helixtrans-59.4-47.7178.7-174.80000111.7K182 A183 F184 S189 S190K182-S186 PolarHBondContact O-N 3Å; K182-S186 VanDerWaalsContact O-N 3.13Å; A183-S186 WeakPolarHBondContact O-CB 3.33Å; A183-S186 PolarHBondContact O-N 3.13Å; F184-S186 VanDerWaalsContact C-N 3.29Å; F184-S186 PolarHBondContact O-N 3Å; S186-S189 PolarHBondContact O-N 3.1Å; S186-S190 WeakPolarHBondContact O-CB 3.49Å; S186-S190 PolarHBondContact O-N 3.35Å; S186-S190 VanDerWaalsContact O-N 3.11Å
187R98.7Very high98.6Very high91 Ų9156.3 Ų56.334%0.34331%0.309SS..Hα-helixtrans-61-53.7180-166.2-171.1-46.4-91.4-3112D146 A183 F184 S189 S190D146-R187 IonicContact OD1-CZ 3.87Å; D146-R187 IonicContact OD1-NE 2.62Å; D146-R187 IonicContact OD1-NH1 2.67Å; D146-R187 PolarHBondContact OD1-NH1 2.99Å; D146-R187 IonicContact OD1-NH2 2.68Å; D146-R187 PolarHBondContact OD1-NH2 3.4Å; D146-R187 VanDerWaalsContact OD1-NH2 3.09Å; D146-R187 IonicContact OD2-CZ 3.05Å; D146-R187 IonicContact OD2-NE 2.86Å; D146-R187 IonicContact OD2-NH1 3.81Å; D146-R187 PolarHBondContact OD2-NH1 3.45Å; A183-R187 PolarHBondContact O-N 3.28Å; F184-R187 PolarHBondContact O-N 2.97Å; F184-R187 VanDerWaalsContact O-N 3.12Å; R187-S189 VanDerWaalsContact C-N 3.32Å; R187-S189 PolarHBondContact O-N 2.91Å; R187-S190 WeakPolarHBondContact O-CB 3.29Å; R187-S190 PolarHBondContact O-N 3.45Å; R187-S190 PolarHBondContact O-OG 3.41Å
188I98.8Very high98.6Very high0 Ų054.5 Ų54.50%030%0.295CS..Hα-helixtrans-65.6-37.4-178.3-53-51000110.9Y147 L153 D157 I158 L161 F184 S190 L191 V194Y147-I188 HydrophobicContact CD1-CD1 3.85Å; Y147-I188 HydrophobicContact CE1-CD1 3.67Å; L153-I188 HydrophobicContact CD1-CD1 4.4Å; D157-I188 HydrophobicContact CB-CD1 4.28Å; I158-I188 HydrophobicContact CD1-CG2 4Å; L161-I188 HydrophobicContact CB-CB 4.34Å; L161-I188 HydrophobicContact CB-CG2 4.02Å; L161-I188 HydrophobicContact CD2-CB 3.96Å; L161-I188 HydrophobicContact CD2-CG2 3.55Å; L161-I188 HydrophobicContact CG-CG2 4.37Å; F184-I188 HydrophobicContact CD1-CG1 4.2Å; F184-I188 HydrophobicContact CD2-CG1 4.16Å; F184-I188 HydrophobicContact CE1-CG1 3.72Å; F184-I188 HydrophobicContact CE2-CD1 3.98Å; F184-I188 HydrophobicContact CE2-CG1 3.7Å; F184-I188 HydrophobicContact CG-CG1 4.37Å; F184-I188 HydrophobicContact CZ-CD1 4.12Å; F184-I188 HydrophobicContact CZ-CG1 3.44Å; F184-I188 VanDerWaalsContact CZ-CG1 3.44Å; F184-I188 WeakPolarHBondContact O-CG1 3.49Å; F184-I188 PolarHBondContact O-N 2.9Å; I188-S190 PolarHBondContact O-N 3.14Å; I188-L191 HydrophobicContact CD1-CD1 4.35Å; I188-L191 HydrophobicContact CG2-CD1 4.07Å; I188-L191 WeakPolarHBondContact O-CB 3.24Å; I188-L191 WeakPolarHBondContact O-CG 3.46Å; I188-L191 PolarHBondContact O-N 3.05Å; I188-V194 WeakPolarHBondContact O-CB 3.49Å; I188-V194 WeakPolarHBondContact O-CG1 3.32Å
189S98.7Very high98.6Very high23 Ų2358.7 Ų58.716%0.16132%0.315CS..Hα-helixtrans-62.3-24.4174.9-59.40000113.4L161 K185 S186 R187 K195L161-S189 WeakPolarHBondContact CD1-OG 3.49Å; K185-S189 WeakPolarHBondContact O-CB 3.42Å; K185-S189 PolarHBondContact O-N 3Å; K185-S189 PolarHBondContact O-OG 2.68Å; S186-S189 PolarHBondContact O-N 3.1Å; R187-S189 VanDerWaalsContact C-N 3.32Å; R187-S189 PolarHBondContact O-N 2.91Å; S189-K195 WeakPolarHBondContact O-CB 3.42Å
190S98.6Very high98.6Very high74 Ų7460.6 Ų60.652%0.51733%0.327SS..Hα-helixtrans-84-12.7-178.777.50000114.2S186 R187 I188S186-S190 WeakPolarHBondContact O-CB 3.49Å; S186-S190 PolarHBondContact O-N 3.35Å; S186-S190 VanDerWaalsContact O-N 3.11Å; R187-S190 WeakPolarHBondContact O-CB 3.29Å; R187-S190 PolarHBondContact O-N 3.45Å; R187-S190 PolarHBondContact O-OG 3.41Å; I188-S190 PolarHBondContact O-N 3.14Å
191L98.6Very high98.5Very high36 Ų3661.6 Ų61.619%0.18835%0.354CS..SBendtrans-60.1137.4177.9-64.3173.7000110.1L153 I188 N193 V194 K195L153-L191 HydrophobicContact CD1-CD1 3.82Å; L153-L191 HydrophobicContact CD2-CD1 4.02Å; I188-L191 HydrophobicContact CD1-CD1 4.35Å; I188-L191 HydrophobicContact CG2-CD1 4.07Å; I188-L191 WeakPolarHBondContact O-CB 3.24Å; I188-L191 WeakPolarHBondContact O-CG 3.46Å; I188-L191 PolarHBondContact O-N 3.05Å; L191-N193 PolarHBondContact O-N 3.46Å; L191-V194 HydrophobicContact CB-CB 4.12Å; L191-V194 HydrophobicContact CB-CG2 4.02Å; L191-V194 HydrophobicContact CD1-CG2 4.33Å; L191-V194 PolarHBondContact O-N 2.67Å; L191-V194 VanDerWaalsContact O-N 3.08Å; L191-K195 VanDerWaalsContact O-CB 3.32Å; L191-K195 WeakPolarHBondContact O-CB 3.49Å; L191-K195 PolarHBondContact O-N 3.39Å
192P98.7Very high98.4Very high105 Ų10563.4 Ų63.468%0.68237%0.366SS*.Hα-helixtrans-52.9-48.6-169-29.735.2000114.7K196P192-K196 WeakPolarHBondContact O-CB 3.42Å; P192-K196 PolarHBondContact O-N 3.28Å
193N98.6Very high98.4Very high70 Ų7062.1 Ų62.137%0.37436%0.362SS..Hα-helixtrans-67.8-40.5-179.9-72.4-13000112.6A24 A25 G27 L191 K196 F197A24-N193 WeakPolarHBondContact O-CB 3.39Å; A25-N193 WeakPolarHBondContact O-CB 3.48Å; A25-N193 PolarHBondContact O-ND2 3.12Å; A25-N193 VanDerWaalsContact O-ND2 3.08Å; G27-N193 VanDerWaalsContact CA-ND2 3.29Å; G27-N193 WeakPolarHBondContact CA-ND2 3.27Å; G27-N193 PolarHBondContact N-ND2 2.98Å; L191-N193 PolarHBondContact O-N 3.46Å; N193-K196 PolarHBondContact O-N 3.1Å; N193-F197 PolarHBondContact O-N 3Å
194V98.8Very high98.4Very high2 Ų263.6 Ų63.61%0.01236%0.357CS..Hα-helixtrans-66.7-46.1177.3177.70000110.5W21 A25 I158 L161 I188 L191 K196 F197 L198W21-V194 HydrophobicContact CZ3-CG1 3.91Å; A25-V194 HydrophobicContact CB-CG2 4.07Å; I158-V194 HydrophobicContact CD1-CG2 3.98Å; L161-V194 HydrophobicContact CD2-CG1 3.54Å; I188-V194 WeakPolarHBondContact O-CB 3.49Å; I188-V194 WeakPolarHBondContact O-CG1 3.32Å; L191-V194 HydrophobicContact CB-CB 4.12Å; L191-V194 HydrophobicContact CB-CG2 4.02Å; L191-V194 HydrophobicContact CD1-CG2 4.33Å; L191-V194 PolarHBondContact O-N 2.67Å; L191-V194 VanDerWaalsContact O-N 3.08Å; V194-K196 VanDerWaalsContact C-N 3.29Å; V194-K196 PolarHBondContact O-N 3.42Å; V194-F197 CarbonylContact O-C 3.59Å; V194-F197 PolarHBondContact O-N 2.92Å; V194-L198 HydrophobicContact CG1-CD1 4.1Å; V194-L198 WeakPolarHBondContact O-CG 3.08Å; V194-L198 PolarHBondContact O-N 3.37Å
195K98.6Very high98.3Very high119 Ų11964.3 Ų64.352%0.51736%0.36SS..Hα-helixtrans-58.4-42.5175.8-172.3177.8-179.4-179.70111.1S189 L191 L198 Q199S189-K195 WeakPolarHBondContact O-CB 3.42Å; L191-K195 VanDerWaalsContact O-CB 3.32Å; L191-K195 WeakPolarHBondContact O-CB 3.49Å; L191-K195 PolarHBondContact O-N 3.39Å; K195-L198 PolarHBondContact O-N 2.97Å; K195-Q199 WeakPolarHBondContact O-CG 3.32Å; K195-Q199 PolarHBondContact O-N 3.28Å
196K98.6Very high98.2Very high145 Ų14566.5 Ų66.563%0.6338%0.378SS*.Hα-helixtrans-60.3-44.5173.1-178-177.6177-175.10111.2P192 N193 V194 L198 Q199P192-K196 WeakPolarHBondContact O-CB 3.42Å; P192-K196 PolarHBondContact O-N 3.28Å; N193-K196 PolarHBondContact O-N 3.1Å; V194-K196 VanDerWaalsContact C-N 3.29Å; V194-K196 PolarHBondContact O-N 3.42Å; K196-L198 VanDerWaalsContact C-N 3.3Å; K196-L198 PolarHBondContact O-N 2.87Å; K196-Q199 WeakPolarHBondContact O-CB 3.31Å; K196-Q199 PolarHBondContact O-N 2.66Å
197F98.7Very high97.9Very high12 Ų1265.5 Ų65.55%0.05337%0.374CS..Hα-helixtrans-69-26.2178.7-166.9-117.9000113.7R20 W21 A24 F30 N193 V194 Q199 S202 Q203 R204R20-F197 HydrophobicContact CB-CZ 3.85Å; W21-F197 HydrophobicContact CB-CE1 4.49Å; W21-F197 AromaticContact CD1-CE1 3.98Å; W21-F197 AromaticContact CD2-CD1 3.92Å; W21-F197 HydrophobicContact CD2-CD1 3.92Å; W21-F197 AromaticContact CD2-CE1 3.79Å; W21-F197 HydrophobicContact CD2-CE1 3.79Å; W21-F197 AromaticContact CE2-CE1 3.91Å; W21-F197 HydrophobicContact CE3-CD1 4.04Å; W21-F197 HydrophobicContact CE3-CE1 4.37Å; W21-F197 HydrophobicContact CG-CD1 4.37Å; W21-F197 AromaticContact CG-CE1 3.84Å; W21-F197 HydrophobicContact CG-CE1 3.84Å; W21-F197 HydrophobicContact CZ3-CD1 4.41Å; W21-F197 AromaticContact NE1-CE1 3.98Å; A24-F197 HydrophobicContact CB-CB 3.82Å; A24-F197 HydrophobicContact CB-CD1 3.98Å; A24-F197 HydrophobicContact CB-CD2 3.35Å; A24-F197 HydrophobicContact CB-CE1 4.39Å; A24-F197 HydrophobicContact CB-CE2 3.83Å; A24-F197 HydrophobicContact CB-CG 3.43Å; A24-F197 VanDerWaalsContact CB-CG 3.43Å; A24-F197 HydrophobicContact CB-CZ 4.33Å; F30-F197 HydrophobicContact CZ-CE2 4.4Å; N193-F197 PolarHBondContact O-N 3Å; V194-F197 CarbonylContact O-C 3.59Å; V194-F197 PolarHBondContact O-N 2.92Å; F197-Q199 VanDerWaalsContact C-N 3.35Å; F197-S202 VanDerWaalsContact O-CB 3.23Å; F197-S202 WeakPolarHBondContact O-CB 3.36Å; F197-S202 PolarHBondContact O-OG 3.17Å; F197-Q203 HydrophobicContact CE2-CB 4.31Å; F197-R204 HydrophobicContact CD1-CB 4.18Å; F197-R204 HydrophobicContact CD1-CG 4.41Å; F197-R204 HydrophobicContact CD2-CB 4.5Å; F197-R204 HydrophobicContact CE1-CB 3.69Å; F197-R204 HydrophobicContact CE1-CG 3.84Å; F197-R204 HydrophobicContact CE2-CB 4.04Å; F197-R204 VanDerWaalsContact CZ-CA 3.47Å; F197-R204 HydrophobicContact CZ-CB 3.61Å; F197-R204 HydrophobicContact CZ-CG 4.18Å
198L98.5Very high97.5Very high39 Ų3962.9 Ų62.920%0.20437%0.367CS..Hα-helixtrans-76.4-19.3174.4-77.3170.8000113.7W21 L165 V194 K195 K196W21-L198 HydrophobicContact CH2-CD2 3.64Å; W21-L198 HydrophobicContact CH2-CG 4.12Å; W21-L198 HydrophobicContact CZ2-CD2 4.18Å; L165-L198 HydrophobicContact CD1-CD2 3.95Å; V194-L198 HydrophobicContact CG1-CD1 4.1Å; V194-L198 WeakPolarHBondContact O-CG 3.08Å; V194-L198 PolarHBondContact O-N 3.37Å; K195-L198 PolarHBondContact O-N 2.97Å; K196-L198 VanDerWaalsContact C-N 3.3Å; K196-L198 PolarHBondContact O-N 2.87Å
199Q98.2Very high97.1Very high103 Ų10366.9 Ų66.948%0.48139%0.388SS..SBendtrans-67.5152.3-179.9-67.9-54.2-53.400112.5K195 K196 F197 S202K195-Q199 WeakPolarHBondContact O-CG 3.32Å; K195-Q199 PolarHBondContact O-N 3.28Å; K196-Q199 WeakPolarHBondContact O-CB 3.31Å; K196-Q199 PolarHBondContact O-N 2.66Å; F197-Q199 VanDerWaalsContact C-N 3.35Å; Q199-S202 WeakPolarHBondContact O-CB 3.18Å; Q199-S202 PolarHBondContact O-N 2.89Å; Q199-S202 PolarHBondContact O-OG 3.19Å
200P97.4Very high96.6Very high123 Ų12369.8 Ų69.880%0.79941%0.413SS*.THydrogen-bonded Turntrans-53.3142.3166.8-23.734.3000112S202P200-S202 VanDerWaalsContact C-N 3.34Å
201G96.4Very high96.3Very high89 Ų8972.6 Ų72.692%0.91842%0.416SS*.THydrogen-bonded Turntrans86.4-3.8-179.400000115.1
202S98.2Very high95.9Very high37 Ų3772.3 Ų72.326%0.25941%0.414SS..SBendtrans-70.5170.4168.484.30000111.8F197 Q199 P200 R204F197-S202 VanDerWaalsContact O-CB 3.23Å; F197-S202 WeakPolarHBondContact O-CB 3.36Å; F197-S202 PolarHBondContact O-OG 3.17Å; Q199-S202 WeakPolarHBondContact O-CB 3.18Å; Q199-S202 PolarHBondContact O-N 2.89Å; Q199-S202 PolarHBondContact O-OG 3.19Å; P200-S202 VanDerWaalsContact C-N 3.34Å; S202-R204 PolarHBondContact O-N 3.28Å; S202-R204 VanDerWaalsContact OG-CB 3.29Å; S202-R204 WeakPolarHBondContact OG-CB 3.39Å; S202-R204 PolarHBondContact OG-N 3.31Å; S202-R204 VanDerWaalsContact OG-N 3.14Å
203Q97.9Very high95.5Very high70 Ų7068.5 Ų68.533%0.32739%0.388SS..SBendtrans-78.64.9174.6-71.4167.6-8100113.8F30 E32 F197 K205F30-Q203 HydrophobicContact CE2-CB 3.89Å; F30-Q203 VanDerWaalsContact CE2-CD 3.48Å; F30-Q203 HydrophobicContact CE2-CG 4.28Å; F30-Q203 VanDerWaalsContact CE2-NE2 3.27Å; F30-Q203 HydrophobicContact CZ-CB 3.81Å; F30-Q203 HydrophobicContact CZ-CG 4.49Å; F30-Q203 PolarHBondContact O-NE2 2.89Å; F30-Q203 VanDerWaalsContact O-NE2 3.09Å; F30-Q203 PolarHBondContact O-OE1 3.31Å; E32-Q203 PolarHBondContact OE1-NE2 3.42Å; F197-Q203 HydrophobicContact CE2-CB 4.31Å; Q203-K205 PolarHBondContact O-N 3.43Å; Q203-K205 PolarHBondContact O-NZ 3.3Å
204R98.3Very high95.1Very high78 Ų7870.1 Ų70.129%0.29439%0.393SS..PPolyproline II helixtrans-62.7128.1173.2-169.7175.774.3103.7-3.9109.5E17 F197 S202E17-R204 WeakPolarHBondContact OE1-CG 3.28Å; F197-R204 HydrophobicContact CD1-CB 4.18Å; F197-R204 HydrophobicContact CD1-CG 4.41Å; F197-R204 HydrophobicContact CD2-CB 4.5Å; F197-R204 HydrophobicContact CE1-CB 3.69Å; F197-R204 HydrophobicContact CE1-CG 3.84Å; F197-R204 HydrophobicContact CE2-CB 4.04Å; F197-R204 VanDerWaalsContact CZ-CA 3.47Å; F197-R204 HydrophobicContact CZ-CB 3.61Å; F197-R204 HydrophobicContact CZ-CG 4.18Å; S202-R204 PolarHBondContact O-N 3.28Å; S202-R204 VanDerWaalsContact OG-CB 3.29Å; S202-R204 WeakPolarHBondContact OG-CB 3.39Å; S202-R204 PolarHBondContact OG-N 3.31Å; S202-R204 VanDerWaalsContact OG-N 3.14Å
205K97.3Very high94.7Very high20 Ų2074.5 Ų74.59%0.08741%0.413CS..PPolyproline II helixtrans-88.5142.8-175.8-61-69.1-179.2-78.20110.8N11 R13 E17 E32 Q203N11-K205 VanDerWaalsContact OD1-CE 3.28Å; N11-K205 WeakPolarHBondContact OD1-CE 3.32Å; R13-K205 HydrophobicContact CB-CB 4.44Å; R13-K205 HydrophobicContact CG-CB 3.7Å; R13-K205 WeakPolarHBondContact CG-O 3.31Å; R13-K205 PolarHBondContact NE-O 3.41Å; E17-K205 PolarHBondContact OE1-N 3.36Å; E17-K205 WeakPolarHBondContact OE2-CB 3.4Å; E17-K205 WeakPolarHBondContact OE2-CG 3.33Å; E32-K205 IonicContact OE1-NZ 3.57Å; E32-K205 PolarHBondContact OE1-NZ 3.35Å; E32-K205 IonicContact OE2-NZ 2.75Å; E32-K205 PolarHBondContact OE2-NZ 3.45Å; Q203-K205 PolarHBondContact O-N 3.43Å; Q203-K205 PolarHBondContact O-NZ 3.3Å
206P95Very high94.4Very high78 Ų7868.9 Ų68.951%0.50639%0.389SS..PPolyproline II helixtrans-71.4169.2173.132-35.7000111.2R13R13-P206 WeakPolarHBondContact CG-O 3.45Å; R13-P206 VanDerWaalsContact NE-C 3.33Å; R13-P206 PolarHBondContact NE-O 2.67Å
207A92.4Very high94Very high61 Ų6166.2 Ų66.250%0.50438%0.375SS..PPolyproline II helixtrans-57.9143.4166.200000109.7D209A207-D209 PolarHBondContact O-N 3.06Å
208M91.3Very high93.7Very high37 Ų3771.5 Ų71.518%0.18240%0.398CS..PPolyproline II helixtrans-69.3134.1-177.4-65.3-170.2-62.400110.9F10 A12 V110 I111 Q212 I213F10-M208 HydrophobicContact CE2-SD 3.9Å; F10-M208 HydrophobicContact CZ-SD 4.28Å; A12-M208 HydrophobicContact CB-CG 3.72Å; A12-M208 HydrophobicContact CB-SD 3.48Å; A12-M208 WeakPolarHBondContact CB-SD 3.33Å; V110-M208 HydrophobicContact CB-CE 4.09Å; V110-M208 HydrophobicContact CG1-CB 4.26Å; V110-M208 HydrophobicContact CG1-CE 3.35Å; I111-M208 HydrophobicContact CG2-CE 4.35Å; M208-Q212 HydrophobicContact CB-CB 4.28Å; M208-I213 HydrophobicContact CB-CD1 4.43Å; M208-I213 HydrophobicContact CB-CG1 3.92Å; M208-I213 HydrophobicContact CE-CG1 4.13Å
209D90.4Very high93.5Very high83 Ų8370.2 Ų70.244%0.44439%0.392SS..PPolyproline II helixtrans-83.4173.3166.769.436.2000111.9A207 K211 Q212 I213A207-D209 PolarHBondContact O-N 3.06Å; D209-K211 PolarHBondContact O-N 3.25Å; D209-K211 WeakPolarHBondContact OD1-CA 3.19Å; D209-K211 WeakPolarHBondContact OD1-CB 3.43Å; D209-K211 PolarHBondContact OD1-N 3.05Å; D209-Q212 PolarHBondContact O-N 2.81Å; D209-Q212 WeakPolarHBondContact OD1-CG 3.19Å; D209-Q212 PolarHBondContact OD1-N 3.32Å; D209-I213 WeakPolarHBondContact O-CD1 3.45Å; D209-I213 VanDerWaalsContact O-CG1 3.25Å; D209-I213 WeakPolarHBondContact O-CG1 3.26Å; D209-I213 PolarHBondContact O-N 3.42Å; D209-I213 VanDerWaalsContact O-N 3.07Å
210A88.9Confident93.2Very high84 Ų8468 Ų6869%0.69438%0.381SS*.Hα-helixtrans-59.9-34.1-179.100000113.1I213 E214A210-I213 PolarHBondContact O-N 2.8Å; A210-E214 PolarHBondContact O-N 3.25Å; A210-E214 VanDerWaalsContact O-N 3.08Å
211K90.5Very high92.8Very high133 Ų13370.8 Ų70.858%0.57838%0.38SS*.Hα-helixtrans-70.3-46.4-179.7178.2-177170.8-176.90110.6D209 I213 E214 E215D209-K211 PolarHBondContact O-N 3.25Å; D209-K211 WeakPolarHBondContact OD1-CA 3.19Å; D209-K211 WeakPolarHBondContact OD1-CB 3.43Å; D209-K211 PolarHBondContact OD1-N 3.05Å; K211-I213 VanDerWaalsContact C-N 3.27Å; K211-I213 PolarHBondContact O-N 2.75Å; K211-E214 PolarHBondContact O-N 3.39Å; K211-E214 VanDerWaalsContact O-N 3.16Å; K211-E215 WeakPolarHBondContact CE-OE1 3.25Å; K211-E215 IonicContact NZ-OE1 3.31Å; K211-E215 WeakPolarHBondContact O-CG 3.16Å; K211-E215 PolarHBondContact O-N 3.44Å
212Q90.8Very high92.1Very high31 Ų3171.5 Ų71.515%0.14536%0.358CS..Hα-helixtrans-61.8-36.4176.6-68.5176.7-59.500111.8N11 M208 D209 A216N11-Q212 PolarHBondContact O-NE2 2.55Å; N11-Q212 VanDerWaalsContact O-NE2 3.09Å; M208-Q212 HydrophobicContact CB-CB 4.28Å; D209-Q212 PolarHBondContact O-N 2.81Å; D209-Q212 WeakPolarHBondContact OD1-CG 3.19Å; D209-Q212 PolarHBondContact OD1-N 3.32Å; Q212-A216 VanDerWaalsContact O-CB 3.31Å; Q212-A216 WeakPolarHBondContact O-CB 3.31Å; Q212-A216 PolarHBondContact O-N 3.41Å
213I90.8Very high91.8Very high25 Ų2573.3 Ų73.313%0.12836%0.363CS..Hα-helixtrans-64-46.2174.3-65.5163.3000110.3V110 M208 D209 A210 K211 A216 R217V110-I213 HydrophobicContact CG1-CD1 3.49Å; V110-I213 VanDerWaalsContact CG1-CD1 3.49Å; V110-I213 HydrophobicContact CG1-CG1 3.8Å; M208-I213 HydrophobicContact CB-CD1 4.43Å; M208-I213 HydrophobicContact CB-CG1 3.92Å; M208-I213 HydrophobicContact CE-CG1 4.13Å; D209-I213 WeakPolarHBondContact O-CD1 3.45Å; D209-I213 VanDerWaalsContact O-CG1 3.25Å; D209-I213 WeakPolarHBondContact O-CG1 3.26Å; D209-I213 PolarHBondContact O-N 3.42Å; D209-I213 VanDerWaalsContact O-N 3.07Å; A210-I213 PolarHBondContact O-N 2.8Å; K211-I213 VanDerWaalsContact C-N 3.27Å; K211-I213 PolarHBondContact O-N 2.75Å; I213-A216 PolarHBondContact O-N 3.03Å; I213-R217 WeakPolarHBondContact O-CG 3.4Å; I213-R217 PolarHBondContact O-N 2.95Å
214E90.2Very high91.5Very high104 Ų10473.4 Ų73.449%0.48637%0.365SS..Hα-helixtrans-62.9-43.5178.7-166-167.7148.800112.1A210 K211 R217 K218A210-E214 PolarHBondContact O-N 3.25Å; A210-E214 VanDerWaalsContact O-N 3.08Å; K211-E214 PolarHBondContact O-N 3.39Å; K211-E214 VanDerWaalsContact O-N 3.16Å; E214-R217 PolarHBondContact O-N 2.91Å; E214-K218 WeakPolarHBondContact O-CG 3.43Å; E214-K218 PolarHBondContact O-N 3.28Å; E214-K218 WeakPolarHBondContact OE1-CE 3.43Å; E214-K218 IonicContact OE1-NZ 3.64Å; E214-K218 PolarHBondContact OE1-NZ 3.27Å
215E90.8Very high91.1Very high93 Ų9373.2 Ų73.244%0.43537%0.369SS..Hα-helixtrans-60.2-45.3174.7-72.6173.8175.900111.3K211 R217 K218 V219K211-E215 WeakPolarHBondContact CE-OE1 3.25Å; K211-E215 IonicContact NZ-OE1 3.31Å; K211-E215 WeakPolarHBondContact O-CG 3.16Å; K211-E215 PolarHBondContact O-N 3.44Å; E215-R217 VanDerWaalsContact C-N 3.33Å; E215-R217 PolarHBondContact O-N 3.24Å; E215-K218 PolarHBondContact O-N 3.12Å; E215-V219 WeakPolarHBondContact O-CG2 3.18Å; E215-V219 PolarHBondContact O-N 3.05Å
216A91.8Very high90.8Very high2 Ų276.3 Ų76.32%0.01739%0.386CS..Hα-helixtrans-61.3-40.7176.100000112.1F10 Q212 I213 K218 V219 F220 F222F10-A216 HydrophobicContact CD2-CB 4.05Å; F10-A216 HydrophobicContact CE2-CB 3.56Å; F10-A216 HydrophobicContact CZ-CB 4.06Å; Q212-A216 VanDerWaalsContact O-CB 3.31Å; Q212-A216 WeakPolarHBondContact O-CB 3.31Å; Q212-A216 PolarHBondContact O-N 3.41Å; I213-A216 PolarHBondContact O-N 3.03Å; A216-K218 VanDerWaalsContact C-N 3.32Å; A216-K218 PolarHBondContact O-N 3.43Å; A216-V219 PolarHBondContact O-N 2.71Å; A216-F220 HydrophobicContact CB-CD2 4.48Å; A216-F220 WeakPolarHBondContact O-CD2 3.31Å; A216-F220 PolarHBondContact O-N 2.59Å; A216-F222 HydrophobicContact CB-CE1 4.02Å; A216-F222 HydrophobicContact CB-CZ 3.87Å; A216-F222 WeakPolarHBondContact O-CE1 3.27Å
217R91Very high90.5Very high89 Ų8976.2 Ų76.234%0.33638%0.378SS..Hα-helixtrans-62.2-38.2175.5-71.8-173.5-179.8-144.8-2.6112.2I111 I213 E214 E215 K221 F222I111-R217 PolarHBondContact O-NH2 3.09Å; I213-R217 WeakPolarHBondContact O-CG 3.4Å; I213-R217 PolarHBondContact O-N 2.95Å; E214-R217 PolarHBondContact O-N 2.91Å; E215-R217 VanDerWaalsContact C-N 3.33Å; E215-R217 PolarHBondContact O-N 3.24Å; R217-K221 WeakPolarHBondContact O-CA 3.41Å; R217-K221 PolarHBondContact O-N 3.02Å; R217-F222 WeakPolarHBondContact CD-O 3.41Å; R217-F222 HydrophobicContact CG-CD2 3.93Å; R217-F222 HydrophobicContact CG-CE1 4.44Å; R217-F222 HydrophobicContact CG-CE2 3.56Å; R217-F222 HydrophobicContact CG-CZ 3.85Å; R217-F222 VanDerWaalsContact CG-O 3.22Å; R217-F222 WeakPolarHBondContact CG-O 3.32Å
218K92.4Very high90.4Very high122 Ų12277.2 Ų77.253%0.5337%0.37SS..Hα-helixtrans-65.1-45.1176.2-70.7170.8-174.8165.60112E214 E215 A216E214-K218 WeakPolarHBondContact O-CG 3.43Å; E214-K218 PolarHBondContact O-N 3.28Å; E214-K218 WeakPolarHBondContact OE1-CE 3.43Å; E214-K218 IonicContact OE1-NZ 3.64Å; E214-K218 PolarHBondContact OE1-NZ 3.27Å; E215-K218 PolarHBondContact O-N 3.12Å; A216-K218 VanDerWaalsContact C-N 3.32Å; A216-K218 PolarHBondContact O-N 3.43Å
219V93.3Very high90.3Very high12 Ų1280.1 Ų80.17%0.07338%0.383CS..Hα-helixtrans-69.4-47.2-178.6175.80000111.7I35 L41 E215 A216I35-V219 HydrophobicContact CG2-CG1 3.71Å; L41-V219 HydrophobicContact CB-CG1 4.38Å; L41-V219 HydrophobicContact CD2-CG1 4.27Å; E215-V219 WeakPolarHBondContact O-CG2 3.18Å; E215-V219 PolarHBondContact O-N 3.05Å; A216-V219 PolarHBondContact O-N 2.71Å
220F92.5Very high90.3Very high57 Ų5779.8 Ų79.825%0.2538%0.378CS..Hα-helixtrans-104.4-4-169.2-60.9-73.8000114.7F10 I35 L41 V55 A216 F222F10-F220 HydrophobicContact CB-CE2 3.85Å; F10-F220 HydrophobicContact CB-CZ 4.19Å; F10-F220 HydrophobicContact CD1-CD2 4.24Å; F10-F220 AromaticContact CD1-CE2 3.26Å; F10-F220 HydrophobicContact CD1-CE2 3.26Å; F10-F220 AromaticContact CD1-CZ 3.65Å; F10-F220 HydrophobicContact CD1-CZ 3.65Å; F10-F220 HydrophobicContact CD2-CE2 4.42Å; F10-F220 HydrophobicContact CE1-CD2 4.37Å; F10-F220 AromaticContact CE1-CE2 3.78Å; F10-F220 HydrophobicContact CE1-CE2 3.78Å; F10-F220 HydrophobicContact CE1-CZ 4.35Å; F10-F220 AromaticContact CG-CE2 3.63Å; F10-F220 HydrophobicContact CG-CE2 3.63Å; F10-F220 HydrophobicContact CG-CZ 4.22Å; I35-F220 HydrophobicContact CG2-CZ 4.48Å; L41-F220 HydrophobicContact CD1-CE1 4.34Å; L41-F220 HydrophobicContact CD2-CD1 3.8Å; L41-F220 HydrophobicContact CD2-CE1 3.84Å; V55-F220 HydrophobicContact CG2-CE1 3.69Å; V55-F220 HydrophobicContact CG2-CZ 4.02Å; A216-F220 HydrophobicContact CB-CD2 4.48Å; A216-F220 WeakPolarHBondContact O-CD2 3.31Å; A216-F220 PolarHBondContact O-N 2.59Å; F220-F222 HydrophobicContact CB-CD1 3.71Å; F220-F222 HydrophobicContact CB-CE1 3.92Å; F220-F222 HydrophobicContact CD2-CE1 4.46Å
221K88.6Confident90.4Very high182 Ų18279.5 Ų79.579%0.79135%0.352SS*.  trans55.754.9174.3-56.1179.4-179.1176.70113.7R217R217-K221 WeakPolarHBondContact O-CA 3.41Å; R217-K221 PolarHBondContact O-N 3.02Å
222F83Confident90.4Very high104 Ų10474.6 Ų74.646%0.45633%0.332SS..  trans-123.60173.469.5-94.7000112.7I111 A216 R217 F220I111-F222 HydrophobicContact CB-CD2 4Å; I111-F222 HydrophobicContact CB-CE2 3.53Å; I111-F222 HydrophobicContact CB-CZ 4.44Å; I111-F222 HydrophobicContact CD1-CD2 4.48Å; I111-F222 HydrophobicContact CG2-CD2 4.3Å; I111-F222 HydrophobicContact CG2-CE2 3.41Å; I111-F222 VanDerWaalsContact CG2-CE2 3.41Å; I111-F222 HydrophobicContact CG2-CZ 3.85Å; A216-F222 HydrophobicContact CB-CE1 4.02Å; A216-F222 HydrophobicContact CB-CZ 3.87Å; A216-F222 WeakPolarHBondContact O-CE1 3.27Å; R217-F222 WeakPolarHBondContact CD-O 3.41Å; R217-F222 HydrophobicContact CG-CD2 3.93Å; R217-F222 HydrophobicContact CG-CE1 4.44Å; R217-F222 HydrophobicContact CG-CE2 3.56Å; R217-F222 HydrophobicContact CG-CZ 3.85Å; R217-F222 VanDerWaalsContact CG-O 3.22Å; R217-F222 WeakPolarHBondContact CG-O 3.32Å; F220-F222 HydrophobicContact CB-CD1 3.71Å; F220-F222 HydrophobicContact CB-CE1 3.92Å; F220-F222 HydrophobicContact CD2-CE1 4.46Å

Retrieved 222 of 222 residues in 327.1 ms (Link to these results)

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