A0A023JCQ9_MACFA Loading...

Glutathione S-transferase kappa

AlphaFold DB (A0A2K5XE12), UniProt , Accession A0A023JCQ9, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene GSTK1, Length 226 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
1M46.6Very low86.4Confident246 Ų24669.1 Ų69.1100%1.21239%0.39SS*.  0127.90-63.3175.5-154.400106.5
2G61Low87.4Confident64 Ų6463.3 Ų63.366%0.6636%0.358SS*.PPolyproline II helixtrans-64.7162.9175.600000111.3
3P75.3Confident88.3Confident91 Ų9158.5 Ų58.559%0.59133%0.33SS*.PPolyproline II helixtrans-60.2138.4175.225.1-31.8000110.4N34P3-N34 PolarHBondContact O-ND2 3.37Å; P3-N34 VanDerWaalsContact O-ND2 3.1Å
4L85.3Confident89Confident159 Ų15954.3 Ų54.383%0.83231%0.307SS*.PPolyproline II helixtrans-58.5145.3176-69.5167.2000110.7N34L4-N34 PolarHBondContact O-ND2 3.38Å
5L91.1Very high89.5Confident98 Ų9851.5 Ų51.551%0.51329%0.291SS..PPolyproline II helixtrans-60.8135.5174.1-69.1167.9000110N34 N36L5-N34 VanDerWaalsContact CD2-C 3.48Å; L5-N34 HydrophobicContact CD2-CB 4.45Å; L5-N34 WeakPolarHBondContact CD2-OD1 3.33Å; L5-N36 HydrophobicContact CB-CB 4.16Å
6R96.8Very high90Very high54 Ų5448.8 Ų48.820%0.20428%0.276CS..EExtended strand (participates in β ladder)trans-82124.3174.2-77.772.5-178.5-161.34.6108.6V8 N34 I35 N36 V190 D191 L210R6-V8 PolarHBondContact O-N 3.47Å; R6-N34 PolarHBondContact N-O 3.05Å; R6-I35 CarbonylContact O-C 3.52Å; R6-I35 VanDerWaalsContact O-CA 3.24Å; R6-I35 WeakPolarHBondContact O-CA 3.12Å; R6-N36 PolarHBondContact O-N 2.84Å; R6-V190 HydrophobicContact CG-CG1 4.43Å; R6-V190 HydrophobicContact CG-CG2 4.3Å; R6-D191 IonicContact NH2-OD1 3.76Å; R6-L210 HydrophobicContact CB-CD2 3.75Å; R6-L210 HydrophobicContact CG-CD2 4.03Å
7T98.4Very high90.4Very high39 Ų3946.2 Ų46.224%0.23926%0.262CS..EExtended strand (participates in β ladder)trans-70.7127.9175.5-61.40000109.7E9 Q38 H189T7-E9 HydrophobicContact CG2-CG 4.18Å; T7-Q38 HydrophobicContact CG2-CG 4.14Å; T7-H189 PolarHBondContact O-N 3.09Å
8V98.8Very high90.8Very high0 Ų046.2 Ų46.20%026%0.257CS..EExtended strand (participates in β ladder)trans-122.1106174.2177.60000107.6R6 L26 I35 N36 L37 Q38 T186 V187 L206 L210R6-V8 PolarHBondContact O-N 3.47Å; V8-L26 HydrophobicContact CG1-CD1 4.48Å; V8-L26 HydrophobicContact CG1-CD2 4.16Å; V8-I35 HydrophobicContact CG2-CB 4Å; V8-I35 HydrophobicContact CG2-CD1 4.42Å; V8-I35 HydrophobicContact CG2-CG2 3.81Å; V8-N36 PolarHBondContact N-O 3.09Å; V8-L37 HydrophobicContact CG1-CD1 4.33Å; V8-L37 WeakPolarHBondContact O-CA 3.29Å; V8-Q38 PolarHBondContact O-N 2.9Å; V8-T186 HydrophobicContact CG1-CG2 3.41Å; V8-T186 VanDerWaalsContact CG1-CG2 3.41Å; V8-V187 CarbonylContact C-O 3.57Å; V8-V187 WeakPolarHBondContact CA-O 3.29Å; V8-L206 HydrophobicContact CG1-CD2 4.38Å; V8-L210 HydrophobicContact CG2-CD1 4.44Å; V8-L210 HydrophobicContact CG2-CD2 4.42Å
9E98.9Very high91.3Very high9 Ų943.8 Ų43.84%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-87.7126175-58.7-174.2-97.600109.8T7 F11 Q38 R40 Y178 T186 V187 H189T7-E9 HydrophobicContact CG2-CG 4.18Å; E9-F11 HydrophobicContact CB-CD2 4.35Å; E9-F11 HydrophobicContact CB-CE2 3.7Å; E9-F11 HydrophobicContact CB-CZ 4.4Å; E9-Q38 CarbonylContact C-O 3.55Å; E9-Q38 WeakPolarHBondContact CA-O 3.45Å; E9-Q38 HydrophobicContact CG-CB 4.34Å; E9-R40 HydrophobicContact CB-CG 4.16Å; E9-R40 IonicContact OE2-CZ 3.23Å; E9-R40 VanDerWaalsContact OE2-CZ 3.23Å; E9-R40 IonicContact OE2-NE 2.82Å; E9-R40 PolarHBondContact OE2-NE 3.1Å; E9-R40 IonicContact OE2-NH2 2.9Å; E9-R40 PolarHBondContact OE2-NH2 2.86Å; E9-Y178 WeakPolarHBondContact OE1-CE2 3.29Å; E9-Y178 PolarHBondContact OE1-OH 3.46Å; E9-T186 CarbonylContact O-C 3.53Å; E9-T186 VanDerWaalsContact O-CA 3.3Å; E9-T186 WeakPolarHBondContact O-CA 3.47Å; E9-V187 HydrophobicContact CB-CB 4.26Å; E9-V187 PolarHBondContact N-O 3.05Å; E9-V187 PolarHBondContact O-N 3.38Å; E9-H189 IonicContact OE1-NE2 3.23Å; E9-H189 PolarHBondContact OE1-NE2 3.29Å
10L98.9Very high91.6Very high0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans-107.5111.9171.2175.165.8000109.8Y12 F23 L26 L37 Q38 L39 R40 P184L10-Y12 HydrophobicContact CG-CD1 4.39Å; L10-F23 HydrophobicContact CD2-CB 3.81Å; L10-F23 HydrophobicContact CD2-CD2 4Å; L10-F23 HydrophobicContact CD2-CG 4.39Å; L10-L26 HydrophobicContact CB-CD1 4.01Å; L10-L26 HydrophobicContact CD1-CD1 3.96Å; L10-L26 HydrophobicContact CD2-CD1 4.03Å; L10-L26 HydrophobicContact CG-CD1 4.21Å; L10-L37 HydrophobicContact CB-CD1 4.31Å; L10-Q38 PolarHBondContact N-O 3.36Å; L10-L39 HydrophobicContact CB-CD2 4.42Å; L10-L39 HydrophobicContact CD2-CD2 4.04Å; L10-R40 WeakPolarHBondContact O-CA 3.47Å; L10-R40 WeakPolarHBondContact O-CB 3.35Å; L10-R40 PolarHBondContact O-N 3.44Å; L10-P184 HydrophobicContact CD1-CB 3.95Å
11F98.9Very high92Very high0 Ų039.7 Ų39.70%022%0.221CC..EExtended strand (participates in β ladder)trans-88.6128.7169.9-60.1-103.8000109.1E9 R40 S42 T171 A174 A175 Y178 L183 P184 I185 V187E9-F11 HydrophobicContact CB-CD2 4.35Å; E9-F11 HydrophobicContact CB-CE2 3.7Å; E9-F11 HydrophobicContact CB-CZ 4.4Å; F11-R40 WeakPolarHBondContact CA-O 3.24Å; F11-R40 HydrophobicContact CB-CB 4.47Å; F11-R40 HydrophobicContact CD1-CB 3.66Å; F11-R40 HydrophobicContact CD1-CG 4.36Å; F11-R40 HydrophobicContact CD2-CB 4.36Å; F11-R40 HydrophobicContact CE1-CB 3.83Å; F11-R40 HydrophobicContact CE1-CG 4.12Å; F11-R40 HydrophobicContact CE2-CG 4.29Å; F11-R40 HydrophobicContact CG-CB 3.92Å; F11-R40 HydrophobicContact CZ-CB 4.26Å; F11-R40 HydrophobicContact CZ-CG 4.08Å; F11-S42 WeakPolarHBondContact CD1-OG 3.46Å; F11-T171 HydrophobicContact CD1-CG2 4.25Å; F11-T171 HydrophobicContact CE1-CG2 4.09Å; F11-T171 WeakPolarHBondContact CE1-O 3.5Å; F11-A174 HydrophobicContact CE1-CB 4.1Å; F11-A174 HydrophobicContact CZ-CB 4.37Å; F11-A175 HydrophobicContact CB-CB 4.27Å; F11-A175 HydrophobicContact CD1-CB 3.52Å; F11-A175 HydrophobicContact CE1-CB 4.02Å; F11-A175 HydrophobicContact CG-CB 3.9Å; F11-Y178 HydrophobicContact CE2-CD2 4.04Å; F11-Y178 HydrophobicContact CE2-CE2 4.02Å; F11-Y178 HydrophobicContact CZ-CD2 4.03Å; F11-Y178 AromaticContact CZ-CE2 3.88Å; F11-Y178 HydrophobicContact CZ-CE2 3.88Å; F11-L183 HydrophobicContact CB-CD2 3.86Å; F11-L183 WeakPolarHBondContact O-CD2 3.48Å; F11-P184 WeakPolarHBondContact O-CA 3.47Å; F11-I185 HydrophobicContact CB-CD1 4.49Å; F11-I185 HydrophobicContact CB-CG1 3.74Å; F11-I185 HydrophobicContact CD2-CD1 3.95Å; F11-I185 HydrophobicContact CD2-CG1 3.88Å; F11-I185 HydrophobicContact CG-CD1 4.3Å; F11-I185 HydrophobicContact CG-CG1 4.05Å; F11-I185 PolarHBondContact N-O 3.46Å; F11-I185 PolarHBondContact O-N 2.85Å; F11-V187 HydrophobicContact CD2-CG2 4.27Å; F11-V187 HydrophobicContact CE2-CB 4.49Å; F11-V187 HydrophobicContact CE2-CG2 3.92Å
12Y98.9Very high94.5Very high0 Ų028 Ų280%016%0.163CC..EExtended strand (participates in β ladder)trans-149158.7-175.470.6-81.8000112.7L10 L39 R40 P41 S42 M100 L103 S118 W122L10-Y12 HydrophobicContact CG-CD1 4.39Å; Y12-L39 HydrophobicContact CE1-CB 3.98Å; Y12-L39 HydrophobicContact CE1-CD2 4.49Å; Y12-R40 PolarHBondContact N-O 3.33Å; Y12-P41 HydrophobicContact CE1-CG 4.29Å; Y12-S42 PolarHBondContact O-N 3.34Å; Y12-S42 VanDerWaalsContact O-O 3.06Å; Y12-M100 HydrophobicContact CE2-CE 4.47Å; Y12-M100 VanDerWaalsContact O-CE 3.32Å; Y12-M100 WeakPolarHBondContact O-CE 3.24Å; Y12-L103 HydrophobicContact CE2-CD1 3.98Å; Y12-S118 PolarHBondContact OH-OG 3.49Å; Y12-W122 AromaticContact CD2-CH2 3.13Å; Y12-W122 HydrophobicContact CD2-CH2 3.13Å; Y12-W122 AromaticContact CD2-CZ2 3.49Å; Y12-W122 HydrophobicContact CD2-CZ2 3.49Å; Y12-W122 VanDerWaalsContact CD2-CZ2 3.49Å; Y12-W122 HydrophobicContact CD2-CZ3 4.04Å; Y12-W122 AromaticContact CE2-CH2 3.62Å; Y12-W122 HydrophobicContact CE2-CH2 3.62Å; Y12-W122 HydrophobicContact CE2-CZ2 4.26Å; Y12-W122 HydrophobicContact CE2-CZ3 4.07Å; Y12-W122 AromaticContact CG-CH2 3.75Å; Y12-W122 HydrophobicContact CG-CH2 3.75Å; Y12-W122 HydrophobicContact CG-CZ2 4.15Å
13D98.8Very high96.3Very high0 Ų024.9 Ų24.90%013%0.132CC..  trans-132.2135.9170.8-169.1-40.5000106.9L15 S16 S42 I44 S96 M100 L183D13-L15 PolarHBondContact O-N 3.17Å; D13-L15 VanDerWaalsContact O-N 3.16Å; D13-L15 VanDerWaalsContact OD1-CB 3.23Å; D13-L15 WeakPolarHBondContact OD1-CB 3.44Å; D13-L15 PolarHBondContact OD1-N 3.42Å; D13-S16 PolarHBondContact O-N 3.42Å; D13-S42 WeakPolarHBondContact CB-O 3.43Å; D13-I44 HydrophobicContact CB-CB 4.04Å; D13-I44 HydrophobicContact CB-CG2 4.4Å; D13-I44 WeakPolarHBondContact OD2-CG2 3.43Å; D13-I44 PolarHBondContact OD2-N 3.1Å; D13-S96 VanDerWaalsContact CG-OG 3.29Å; D13-S96 VanDerWaalsContact OD1-CB 3.31Å; D13-S96 WeakPolarHBondContact OD1-CB 3.41Å; D13-S96 PolarHBondContact OD1-OG 2.87Å; D13-S96 PolarHBondContact OD2-OG 3.46Å; D13-M100 HydrophobicContact CB-SD 4.4Å; D13-L183 HydrophobicContact CB-CD1 3.72Å
14V98.6Very high97.4Very high0 Ų021.4 Ų21.40%011%0.107CC..THydrogen-bonded Turntrans-66-13.8177.8-61.40000112.7S16 A99 M100 L103 L121 W122 W126 I132V14-S16 VanDerWaalsContact C-N 3.26Å; V14-S16 PolarHBondContact O-N 2.93Å; V14-A99 HydrophobicContact CG2-CB 3.96Å; V14-M100 HydrophobicContact CB-SD 4.31Å; V14-M100 HydrophobicContact CG1-SD 4.15Å; V14-M100 HydrophobicContact CG2-SD 3.79Å; V14-M100 PolarHBondContact N-SD 3.26Å; V14-M100 VanDerWaalsContact N-SD 3.38Å; V14-L103 HydrophobicContact CG1-CD1 3.62Å; V14-L121 HydrophobicContact CB-CB 4.31Å; V14-L121 HydrophobicContact CG1-CB 3.94Å; V14-L121 HydrophobicContact CG1-CD1 4.43Å; V14-L121 HydrophobicContact CG2-CB 4.44Å; V14-W122 HydrophobicContact CB-CG 4.5Å; V14-W122 HydrophobicContact CG1-CD2 4.18Å; V14-W122 PolarHBondContact O-NE1 3.48Å; V14-W126 VanDerWaalsContact O-CD1 3.3Å; V14-W126 PolarHBondContact O-NE1 3.3Å; V14-I132 HydrophobicContact CG2-CD1 3.72Å
15L96.4Very high98Very high13 Ų1313.9 Ų13.97%0.0687%0.068CC..THydrogen-bonded Turntrans-75.8-9.3170.5-157.563.2000113.6D13 I44 V90 I91 W126D13-L15 PolarHBondContact O-N 3.17Å; D13-L15 VanDerWaalsContact O-N 3.16Å; D13-L15 VanDerWaalsContact OD1-CB 3.23Å; D13-L15 WeakPolarHBondContact OD1-CB 3.44Å; D13-L15 PolarHBondContact OD1-N 3.42Å; L15-I44 HydrophobicContact CD2-CG2 4.2Å; L15-V90 HydrophobicContact CD1-CG1 3.97Å; L15-I91 HydrophobicContact CD1-CG1 4.18Å; L15-I91 HydrophobicContact CG-CG1 4.11Å; L15-W126 WeakPolarHBondContact O-CZ2 3.27Å
16S97Very high98.4Very high7 Ų79.2 Ų9.25%0.0494%0.043CC..  trans-101.2120.2178.2175.60000111D13 V14 S19 W20 W122 L183D13-S16 PolarHBondContact O-N 3.42Å; V14-S16 VanDerWaalsContact C-N 3.26Å; V14-S16 PolarHBondContact O-N 2.93Å; S16-S19 WeakPolarHBondContact CB-OG 3.42Å; S16-S19 PolarHBondContact O-N 3.01Å; S16-S19 PolarHBondContact OG-N 2.84Å; S16-S19 PolarHBondContact OG-OG 2.97Å; S16-S19 VanDerWaalsContact OG-OG 3.06Å; S16-W20 PolarHBondContact O-N 3.39Å; S16-W122 PolarHBondContact O-NE1 3.49Å; S16-W122 VanDerWaalsContact O-NE1 3.13Å; S16-L183 PolarHBondContact OG-O 2.72Å
17P97.1Very high98.5Very high6 Ų67 Ų74%0.0394%0.036CC..Hα-helixtrans-67.5-39.8176.424.9-30.5000111.6S19 W20 L21 I70 I81 W126P17-S19 PolarHBondContact O-N 3.4Å; P17-W20 WeakPolarHBondContact O-CB 3.34Å; P17-W20 PolarHBondContact O-N 2.92Å; P17-W20 VanDerWaalsContact O-N 3.14Å; P17-L21 PolarHBondContact O-N 3.11Å; P17-I70 HydrophobicContact CB-CD1 3.82Å; P17-I70 HydrophobicContact CG-CD1 3.87Å; P17-I81 HydrophobicContact CB-CD1 3.64Å; P17-W126 HydrophobicContact CB-CD2 3.94Å; P17-W126 HydrophobicContact CB-CE3 3.74Å; P17-W126 HydrophobicContact CB-CH2 4.19Å; P17-W126 HydrophobicContact CB-CZ2 4.35Å; P17-W126 HydrophobicContact CB-CZ3 3.84Å; P17-W126 HydrophobicContact CG-CE3 4.32Å; P17-W126 HydrophobicContact CG-CH2 3.9Å; P17-W126 HydrophobicContact CG-CZ2 4.22Å; P17-W126 HydrophobicContact CG-CZ3 3.91Å
18Y98.5Very high98.5Very high46 Ų468.4 Ų8.418%0.184%0.037CC..Hα-helixtrans-68.4-26.4177.8-63.1-71.5000112.1W20 L21 G22 M66 D69 L73 S200Y18-W20 VanDerWaalsContact C-N 3.31Å; Y18-L21 HydrophobicContact CD1-CD1 3.99Å; Y18-L21 PolarHBondContact O-N 2.84Å; Y18-G22 PolarHBondContact O-N 3.31Å; Y18-M66 HydrophobicContact CE2-CE 3.9Å; Y18-M66 HydrophobicContact CE2-CG 4.28Å; Y18-D69 PolarHBondContact OH-OD2 2.69Å; Y18-L73 HydrophobicContact CD1-CD1 4.36Å; Y18-L73 HydrophobicContact CE1-CD1 3.82Å; Y18-S200 WeakPolarHBondContact O-CB 3.32Å
19S98.9Very high98.5Very high0 Ų08.4 Ų8.40%04%0.037CC..Hα-helixtrans-66.2-36.2172.9-64.70000111.9S16 P17 G22 F23 P184S16-S19 WeakPolarHBondContact CB-OG 3.42Å; S16-S19 PolarHBondContact O-N 3.01Å; S16-S19 PolarHBondContact OG-N 2.84Å; S16-S19 PolarHBondContact OG-OG 2.97Å; S16-S19 VanDerWaalsContact OG-OG 3.06Å; P17-S19 PolarHBondContact O-N 3.4Å; S19-G22 PolarHBondContact O-N 2.97Å; S19-F23 WeakPolarHBondContact O-CB 3.47Å; S19-F23 PolarHBondContact O-N 3.2Å; S19-P184 WeakPolarHBondContact OG-CA 3.4Å; S19-P184 WeakPolarHBondContact OG-CD 3.39Å; S19-P184 VanDerWaalsContact OG-N 3.16Å
20W98.8Very high98.4Very high1 Ų110.9 Ų10.90%0.0045%0.049CC..Hα-helixtrans-62.8-44.2173.8-167.611.1000111.7S16 P17 Y18 G22 F23 E24 I79 P80 I81 W122 M123 W126S16-W20 PolarHBondContact O-N 3.39Å; P17-W20 WeakPolarHBondContact O-CB 3.34Å; P17-W20 PolarHBondContact O-N 2.92Å; P17-W20 VanDerWaalsContact O-N 3.14Å; Y18-W20 VanDerWaalsContact C-N 3.31Å; W20-G22 PolarHBondContact O-N 2.86Å; W20-F23 WeakPolarHBondContact O-CB 3.45Å; W20-F23 PolarHBondContact O-N 3.28Å; W20-E24 PolarHBondContact NE1-OE1 2.89Å; W20-E24 WeakPolarHBondContact O-CG 3.39Å; W20-E24 PolarHBondContact O-N 2.92Å; W20-I79 HydrophobicContact CD2-CG2 3.75Å; W20-I79 VanDerWaalsContact CE2-CG2 3.5Å; W20-I79 HydrophobicContact CE3-CG2 3.96Å; W20-I79 HydrophobicContact CG-CG2 4.47Å; W20-I79 HydrophobicContact CH2-CG2 3.71Å; W20-I79 HydrophobicContact CZ2-CG2 3.48Å; W20-I79 VanDerWaalsContact CZ2-CG2 3.48Å; W20-I79 HydrophobicContact CZ3-CG2 3.95Å; W20-P80 HydrophobicContact CH2-CG 4.11Å; W20-P80 HydrophobicContact CZ2-CG 4.46Å; W20-I81 HydrophobicContact CE3-CB 4Å; W20-I81 HydrophobicContact CE3-CD1 3.92Å; W20-I81 HydrophobicContact CE3-CG1 3.93Å; W20-I81 HydrophobicContact CZ3-CB 3.75Å; W20-I81 HydrophobicContact CZ3-CD1 4.45Å; W20-I81 HydrophobicContact CZ3-CG1 3.95Å; W20-W122 HydrophobicContact CB-CB 4.41Å; W20-W122 HydrophobicContact CB-CD2 3.73Å; W20-W122 HydrophobicContact CB-CE3 4.42Å; W20-W122 HydrophobicContact CB-CG 3.71Å; W20-W122 HydrophobicContact CB-CZ2 4.3Å; W20-W122 AromaticContact CD1-CD2 3.74Å; W20-W122 AromaticContact CD1-CE3 3.68Å; W20-W122 AromaticContact CD1-CG 3.9Å; W20-W122 HydrophobicContact CD2-CB 3.56Å; W20-W122 HydrophobicContact CD2-CD2 4.47Å; W20-W122 AromaticContact CD2-CG 3.86Å; W20-W122 HydrophobicContact CD2-CG 3.86Å; W20-W122 HydrophobicContact CE3-CB 3.93Å; W20-W122 HydrophobicContact CE3-CG 4.34Å; W20-W122 HydrophobicContact CG-CB 3.76Å; W20-W122 AromaticContact CG-CD1 3.84Å; W20-W122 AromaticContact CG-CD2 3.7Å; W20-W122 HydrophobicContact CG-CD2 3.7Å; W20-W122 HydrophobicContact CG-CE3 4.13Å; W20-W122 AromaticContact CG-CG 3.53Å; W20-W122 HydrophobicContact CG-CG 3.53Å; W20-W122 HydrophobicContact CZ2-CB 4.36Å; W20-W122 HydrophobicContact CZ3-CB 4.46Å; W20-M123 HydrophobicContact CH2-CG 4.35Å; W20-M123 HydrophobicContact CH2-SD 3.56Å; W20-M123 VanDerWaalsContact CH2-SD 3.56Å; W20-M123 HydrophobicContact CZ2-CG 4.08Å; W20-M123 HydrophobicContact CZ2-SD 3.54Å; W20-M123 VanDerWaalsContact CZ2-SD 3.54Å; W20-W126 HydrophobicContact CE3-CB 3.76Å; W20-W126 HydrophobicContact CZ3-CB 3.7Å
21L98.9Very high98.1Very high0 Ų017.2 Ų17.20%08%0.083CC..Hα-helixtrans-60.5-47.5179.1-58.2-178.1000111.4P17 Y18 V25 L73 F77 I79 I81P17-L21 PolarHBondContact O-N 3.11Å; Y18-L21 HydrophobicContact CD1-CD1 3.99Å; Y18-L21 PolarHBondContact O-N 2.84Å; L21-V25 WeakPolarHBondContact O-CG2 3.37Å; L21-V25 PolarHBondContact O-N 2.85Å; L21-L73 HydrophobicContact CD1-CB 3.96Å; L21-L73 HydrophobicContact CD1-CD1 3.56Å; L21-L73 HydrophobicContact CD1-CG 4.33Å; L21-F77 HydrophobicContact CB-CD1 4.05Å; L21-F77 HydrophobicContact CB-CE1 4.02Å; L21-F77 HydrophobicContact CD2-CB 4.37Å; L21-F77 HydrophobicContact CD2-CD1 4.44Å; L21-F77 HydrophobicContact CD2-CG 4.36Å; L21-I79 HydrophobicContact CD2-CB 4.37Å; L21-I79 HydrophobicContact CD2-CD1 3.62Å; L21-I81 HydrophobicContact CD2-CD1 4.3Å; L21-I81 HydrophobicContact CD2-CG2 4.28Å
22G98.8Very high98Very high0 Ų019.5 Ų19.50%09%0.094CC..Hα-helixtrans-65.4-39.9177.800000112.7Y18 S19 W20 V25 L26Y18-G22 PolarHBondContact O-N 3.31Å; S19-G22 PolarHBondContact O-N 2.97Å; W20-G22 PolarHBondContact O-N 2.86Å; G22-V25 PolarHBondContact O-N 2.96Å; G22-L26 PolarHBondContact O-N 3.46Å
23F98.9Very high97.9Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-56.8-53174.8169.5-91.6000112.3L10 S19 W20 V25 L26 C27 L39 E115 R119 W122L10-F23 HydrophobicContact CD2-CB 3.81Å; L10-F23 HydrophobicContact CD2-CD2 4Å; L10-F23 HydrophobicContact CD2-CG 4.39Å; S19-F23 WeakPolarHBondContact O-CB 3.47Å; S19-F23 PolarHBondContact O-N 3.2Å; W20-F23 WeakPolarHBondContact O-CB 3.45Å; W20-F23 PolarHBondContact O-N 3.28Å; F23-V25 VanDerWaalsContact C-N 3.31Å; F23-V25 PolarHBondContact O-N 2.89Å; F23-L26 PolarHBondContact O-N 3.02Å; F23-C27 WeakPolarHBondContact O-CB 3.5Å; F23-C27 PolarHBondContact O-N 2.82Å; F23-C27 PolarHBondContact O-SG 3.41Å; F23-C27 VanDerWaalsContact O-SG 3.37Å; F23-L39 HydrophobicContact CD2-CD2 3.78Å; F23-L39 HydrophobicContact CE2-CD1 3.77Å; F23-L39 HydrophobicContact CE2-CD2 3.77Å; F23-L39 HydrophobicContact CE2-CG 4.42Å; F23-E115 HydrophobicContact CE1-CG 4.27Å; F23-E115 HydrophobicContact CE2-CG 4.08Å; F23-E115 HydrophobicContact CZ-CB 4.31Å; F23-E115 HydrophobicContact CZ-CG 3.43Å; F23-E115 VanDerWaalsContact CZ-CG 3.43Å; F23-E115 WeakPolarHBondContact CZ-O 3.47Å; F23-R119 HydrophobicContact CE1-CB 4.28Å; F23-W122 HydrophobicContact CB-CH2 3.68Å; F23-W122 HydrophobicContact CB-CZ3 3.86Å; F23-W122 HydrophobicContact CD1-CE3 4.16Å; F23-W122 HydrophobicContact CD1-CH2 4.26Å; F23-W122 AromaticContact CD1-CZ3 3.55Å; F23-W122 HydrophobicContact CD1-CZ3 3.55Å; F23-W122 AromaticContact CD2-CH2 3.87Å; F23-W122 HydrophobicContact CD2-CH2 3.87Å; F23-W122 AromaticContact CD2-CZ3 3.64Å; F23-W122 HydrophobicContact CD2-CZ3 3.64Å; F23-W122 HydrophobicContact CE1-CE3 4.38Å; F23-W122 AromaticContact CE1-CZ3 3.89Å; F23-W122 HydrophobicContact CE1-CZ3 3.89Å; F23-W122 AromaticContact CE2-CZ3 3.96Å; F23-W122 HydrophobicContact CE2-CZ3 3.96Å; F23-W122 HydrophobicContact CG-CE3 4.4Å; F23-W122 AromaticContact CG-CH2 3.69Å; F23-W122 HydrophobicContact CG-CH2 3.69Å; F23-W122 AromaticContact CG-CZ3 3.4Å; F23-W122 HydrophobicContact CG-CZ3 3.4Å; F23-W122 VanDerWaalsContact CG-CZ3 3.4Å; F23-W122 HydrophobicContact CZ-CZ3 4.07Å
24E98.9Very high97.8Very high18 Ų1822.3 Ų22.38%0.08411%0.108CC..Hα-helixtrans-64.7-36.5-177.4-67.3-66.8-178.600112.1W20 C27 R28 I79 R119W20-E24 PolarHBondContact NE1-OE1 2.89Å; W20-E24 WeakPolarHBondContact O-CG 3.39Å; W20-E24 PolarHBondContact O-N 2.92Å; E24-C27 PolarHBondContact O-N 2.94Å; E24-R28 VanDerWaalsContact O-CD 3.31Å; E24-R28 WeakPolarHBondContact O-CD 3.41Å; E24-R28 WeakPolarHBondContact O-CG 3.46Å; E24-R28 PolarHBondContact O-N 2.8Å; E24-I79 HydrophobicContact CB-CD1 3.53Å; E24-I79 HydrophobicContact CB-CG1 4.13Å; E24-I79 HydrophobicContact CG-CD1 3.6Å; E24-I79 HydrophobicContact CG-CG1 3.96Å; E24-R119 VanDerWaalsContact CD-NE 3.35Å; E24-R119 WeakPolarHBondContact OE1-CD 3.3Å; E24-R119 WeakPolarHBondContact OE1-CG 3.37Å; E24-R119 IonicContact OE1-CZ 2.71Å; E24-R119 IonicContact OE1-NE 3.71Å; E24-R119 PolarHBondContact OE1-NE 3.33Å; E24-R119 IonicContact OE1-NH2 3.3Å; E24-R119 IonicContact OE2-CZ 3.26Å; E24-R119 IonicContact OE2-NE 3.4Å; E24-R119 PolarHBondContact OE2-NE 2.77Å; E24-R119 VanDerWaalsContact OE2-NE 3.14Å; E24-R119 IonicContact OE2-NH2 3.79Å; E24-R119 PolarHBondContact OE2-NH2 2.71Å
25V98.8Very high97.8Very high0 Ų022.8 Ų22.80%011%0.111CC..Hα-helixtrans-61.4-53.3174.11750000110.1L21 G22 F23 C27 R28 Y29 F77 M203 W214 P217L21-V25 WeakPolarHBondContact O-CG2 3.37Å; L21-V25 PolarHBondContact O-N 2.85Å; G22-V25 PolarHBondContact O-N 2.96Å; F23-V25 VanDerWaalsContact C-N 3.31Å; F23-V25 PolarHBondContact O-N 2.89Å; V25-C27 VanDerWaalsContact C-N 3.3Å; V25-C27 PolarHBondContact O-N 3.23Å; V25-R28 WeakPolarHBondContact O-CB 3.43Å; V25-R28 PolarHBondContact O-N 3.05Å; V25-Y29 HydrophobicContact CG1-CD2 3.74Å; V25-Y29 HydrophobicContact CG1-CE2 3.9Å; V25-Y29 VanDerWaalsContact O-CD2 3.29Å; V25-Y29 WeakPolarHBondContact O-CD2 3.42Å; V25-Y29 PolarHBondContact O-N 2.89Å; V25-F77 HydrophobicContact CG2-CD1 3.58Å; V25-F77 HydrophobicContact CG2-CE1 3.44Å; V25-F77 VanDerWaalsContact CG2-CE1 3.44Å; V25-M203 HydrophobicContact CB-CG 4.24Å; V25-M203 HydrophobicContact CG1-CB 3.92Å; V25-M203 HydrophobicContact CG1-CG 3.72Å; V25-W214 HydrophobicContact CG1-CH2 3.79Å; V25-W214 HydrophobicContact CG1-CZ3 3.78Å; V25-P217 HydrophobicContact CG2-CB 3.97Å
26L98.8Very high97.8Very high0 Ų025.3 Ų25.30%013%0.125CC..Hα-helixtrans-60.6-39.2179.9-73171.3000112.3V8 L10 G22 F23 R28 Y29 Q30 L37 T186 M203 L206V8-L26 HydrophobicContact CG1-CD1 4.48Å; V8-L26 HydrophobicContact CG1-CD2 4.16Å; L10-L26 HydrophobicContact CB-CD1 4.01Å; L10-L26 HydrophobicContact CD1-CD1 3.96Å; L10-L26 HydrophobicContact CD2-CD1 4.03Å; L10-L26 HydrophobicContact CG-CD1 4.21Å; G22-L26 PolarHBondContact O-N 3.46Å; F23-L26 PolarHBondContact O-N 3.02Å; L26-R28 VanDerWaalsContact C-N 3.32Å; L26-R28 PolarHBondContact O-N 2.93Å; L26-Y29 CarbonylContact O-C 2.99Å; L26-Y29 PolarHBondContact O-N 3.08Å; L26-Q30 PolarHBondContact O-N 2.9Å; L26-L37 HydrophobicContact CB-CD1 3.98Å; L26-L37 HydrophobicContact CB-CD2 3.99Å; L26-L37 HydrophobicContact CD1-CD1 4.14Å; L26-T186 HydrophobicContact CD1-CG2 4.14Å; L26-M203 HydrophobicContact CD1-CE 3.91Å; L26-M203 HydrophobicContact CD1-SD 4.42Å; L26-M203 HydrophobicContact CD2-SD 4.02Å; L26-M203 HydrophobicContact CG-CE 3.89Å; L26-M203 HydrophobicContact CG-SD 4Å; L26-L206 HydrophobicContact CD2-CD2 3.71Å
27C98.6Very high97.9Very high8 Ų826.2 Ų26.25%0.05413%0.129CC..Hα-helixtrans-63-34.9174.4-73.70000113.1F23 E24 V25 Y29 Q30 E115F23-C27 WeakPolarHBondContact O-CB 3.5Å; F23-C27 PolarHBondContact O-N 2.82Å; F23-C27 PolarHBondContact O-SG 3.41Å; F23-C27 VanDerWaalsContact O-SG 3.37Å; E24-C27 PolarHBondContact O-N 2.94Å; V25-C27 VanDerWaalsContact C-N 3.3Å; V25-C27 PolarHBondContact O-N 3.23Å; C27-Y29 VanDerWaalsContact C-N 3.35Å; C27-Q30 VanDerWaalsContact O-CG 3.3Å; C27-Q30 WeakPolarHBondContact O-CG 3.4Å; C27-Q30 PolarHBondContact O-NE2 2.75Å; C27-E115 VanDerWaalsContact SG-CG 3.6Å; C27-E115 PolarHBondContact SG-OE2 3.03Å
28R98.3Very high98Very high68 Ų6829.2 Ų29.226%0.25714%0.142SC..Hα-helixtrans-70.2-33.2174.7-70.3159.9-175.9173.4-2.6112E24 V25 L26 I32 F77 Q78 P217 P219E24-R28 VanDerWaalsContact O-CD 3.31Å; E24-R28 WeakPolarHBondContact O-CD 3.41Å; E24-R28 WeakPolarHBondContact O-CG 3.46Å; E24-R28 PolarHBondContact O-N 2.8Å; V25-R28 WeakPolarHBondContact O-CB 3.43Å; V25-R28 PolarHBondContact O-N 3.05Å; L26-R28 VanDerWaalsContact C-N 3.32Å; L26-R28 PolarHBondContact O-N 2.93Å; R28-I32 WeakPolarHBondContact O-CD1 3.34Å; R28-F77 VanDerWaalsContact CZ-O 3.3Å; R28-F77 PolarHBondContact NH1-O 2.87Å; R28-F77 PolarHBondContact NH2-O 3.42Å; R28-Q78 PolarHBondContact NH2-O 2.81Å; R28-P217 WeakPolarHBondContact CD-O 3.31Å; R28-P217 PolarHBondContact NH1-O 3.12Å; R28-P219 HydrophobicContact CB-CG 3.88Å
29Y98.4Very high98Very high0 Ų028.4 Ų28.40%014%0.141CC..Hα-helixtrans-89.1-13.8-178.4-81.3-80.9000114.8V25 L26 C27 N31 I32 W33 W214 M215 G216 P219V25-Y29 HydrophobicContact CG1-CD2 3.74Å; V25-Y29 HydrophobicContact CG1-CE2 3.9Å; V25-Y29 VanDerWaalsContact O-CD2 3.29Å; V25-Y29 WeakPolarHBondContact O-CD2 3.42Å; V25-Y29 PolarHBondContact O-N 2.89Å; L26-Y29 CarbonylContact O-C 2.99Å; L26-Y29 PolarHBondContact O-N 3.08Å; C27-Y29 VanDerWaalsContact C-N 3.35Å; Y29-N31 PolarHBondContact O-N 3.42Å; Y29-N31 VanDerWaalsContact O-N 3.08Å; Y29-I32 HydrophobicContact CD1-CB 4.11Å; Y29-I32 HydrophobicContact CD1-CD1 4.15Å; Y29-I32 HydrophobicContact CD1-CG2 4.23Å; Y29-I32 HydrophobicContact CE1-CD1 4.49Å; Y29-I32 WeakPolarHBondContact O-CA 3.16Å; Y29-I32 PolarHBondContact O-N 2.93Å; Y29-W33 AromaticContact CD1-CD1 3.79Å; Y29-W33 AromaticContact CD1-CD2 3.62Å; Y29-W33 HydrophobicContact CD1-CD2 3.62Å; Y29-W33 AromaticContact CD1-CE2 3.1Å; Y29-W33 HydrophobicContact CD1-CE3 4.28Å; Y29-W33 HydrophobicContact CD1-CG 4.02Å; Y29-W33 HydrophobicContact CD1-CH2 4.08Å; Y29-W33 AromaticContact CD1-CZ2 3.38Å; Y29-W33 HydrophobicContact CD1-CZ2 3.38Å; Y29-W33 HydrophobicContact CD1-CZ3 4.49Å; Y29-W33 AromaticContact CD1-NE1 3.23Å; Y29-W33 HydrophobicContact CD2-CH2 4.27Å; Y29-W33 HydrophobicContact CD2-CZ2 4.26Å; Y29-W33 HydrophobicContact CE1-CD2 4.43Å; Y29-W33 AromaticContact CE1-CE2 3.49Å; Y29-W33 VanDerWaalsContact CE1-CE2 3.49Å; Y29-W33 HydrophobicContact CE1-CH2 4.35Å; Y29-W33 AromaticContact CE1-CZ2 3.44Å; Y29-W33 HydrophobicContact CE1-CZ2 3.44Å; Y29-W33 VanDerWaalsContact CE1-CZ2 3.44Å; Y29-W33 AromaticContact CE1-NE1 3.46Å; Y29-W33 HydrophobicContact CE2-CZ2 4.36Å; Y29-W33 AromaticContact CG-CD2 3.96Å; Y29-W33 HydrophobicContact CG-CD2 3.96Å; Y29-W33 AromaticContact CG-CE2 3.76Å; Y29-W33 HydrophobicContact CG-CE3 4.18Å; Y29-W33 HydrophobicContact CG-CH2 4.01Å; Y29-W33 AromaticContact CG-CZ2 3.79Å; Y29-W33 HydrophobicContact CG-CZ2 3.79Å; Y29-W33 HydrophobicContact CG-CZ3 4.2Å; Y29-W33 AromaticContact CZ-CZ2 3.95Å; Y29-W33 PolarHBondContact O-N 3.11Å; Y29-W214 HydrophobicContact CD2-CZ3 4.14Å; Y29-W214 HydrophobicContact CE1-CE3 4.45Å; Y29-W214 AromaticContact CE2-CE3 3.86Å; Y29-W214 HydrophobicContact CE2-CE3 3.86Å; Y29-W214 HydrophobicContact CE2-CH2 4.12Å; Y29-W214 AromaticContact CE2-CZ3 3.31Å; Y29-W214 HydrophobicContact CE2-CZ3 3.31Å; Y29-W214 AromaticContact CZ-CE3 3.64Å; Y29-W214 AromaticContact CZ-CZ3 3.6Å; Y29-W214 VanDerWaalsContact OH-CE3 3.31Å; Y29-M215 HydrophobicContact CE1-CE 4.05Å; Y29-M215 WeakPolarHBondContact OH-CA 3.18Å; Y29-M215 PolarHBondContact OH-N 3.22Å; Y29-G216 WeakPolarHBondContact CE2-O 3.5Å; Y29-G216 PolarHBondContact OH-N 3.39Å; Y29-G216 PolarHBondContact OH-O 2.83Å; Y29-P219 HydrophobicContact CD1-CG 4.41Å; Y29-P219 HydrophobicContact CD2-CG 4.1Å; Y29-P219 HydrophobicContact CE1-CB 3.94Å; Y29-P219 HydrophobicContact CE1-CG 4.16Å; Y29-P219 HydrophobicContact CE2-CB 4.2Å; Y29-P219 HydrophobicContact CE2-CG 3.76Å; Y29-P219 HydrophobicContact CG-CG 4.42Å
30Q96.6Very high98Very high61 Ų6131.8 Ų31.829%0.28515%0.154SC..THydrogen-bonded Turntrans-58.2-26.2-177.379.4-172.2-63.800114L26 C27 L37 E115L26-Q30 PolarHBondContact O-N 2.9Å; C27-Q30 VanDerWaalsContact O-CG 3.3Å; C27-Q30 WeakPolarHBondContact O-CG 3.4Å; C27-Q30 PolarHBondContact O-NE2 2.75Å; Q30-L37 HydrophobicContact CB-CB 4.27Å; Q30-L37 HydrophobicContact CB-CD2 4.16Å; Q30-E115 PolarHBondContact NE2-OE2 3.07Å
31N94.1Very high98Very high134 Ų13432 Ų3272%0.71716%0.155SC*.THydrogen-bonded Turntrans-101.56.4177.4-61.3-49.9000113.2Y29Y29-N31 PolarHBondContact O-N 3.42Å; Y29-N31 VanDerWaalsContact O-N 3.08Å
32I96.3Very high98Very high48 Ų4832 Ų3225%0.24616%0.155CC..THydrogen-bonded Turntrans-113.8-52.2-176.6-54-171.9000110.2R28 Y29 M215 P219 V222R28-I32 WeakPolarHBondContact O-CD1 3.34Å; Y29-I32 HydrophobicContact CD1-CB 4.11Å; Y29-I32 HydrophobicContact CD1-CD1 4.15Å; Y29-I32 HydrophobicContact CD1-CG2 4.23Å; Y29-I32 HydrophobicContact CE1-CD1 4.49Å; Y29-I32 WeakPolarHBondContact O-CA 3.16Å; Y29-I32 PolarHBondContact O-N 2.93Å; I32-M215 HydrophobicContact CD1-CE 4.14Å; I32-M215 HydrophobicContact CG2-CE 3.54Å; I32-P219 HydrophobicContact CD1-CB 3.51Å; I32-P219 HydrophobicContact CD1-CG 3.51Å; I32-V222 HydrophobicContact CD1-CG2 4.04Å; I32-V222 HydrophobicContact CG1-CG2 3.59Å
33W96.9Very high98Very high10 Ų1033.9 Ų33.94%0.03817%0.165CC..SBendtrans-85.5154.4179.1-63.8-18.9000110.8Y29 I35 L206 A207 L210 E212 K213 W214Y29-W33 AromaticContact CD1-CD1 3.79Å; Y29-W33 AromaticContact CD1-CD2 3.62Å; Y29-W33 HydrophobicContact CD1-CD2 3.62Å; Y29-W33 AromaticContact CD1-CE2 3.1Å; Y29-W33 HydrophobicContact CD1-CE3 4.28Å; Y29-W33 HydrophobicContact CD1-CG 4.02Å; Y29-W33 HydrophobicContact CD1-CH2 4.08Å; Y29-W33 AromaticContact CD1-CZ2 3.38Å; Y29-W33 HydrophobicContact CD1-CZ2 3.38Å; Y29-W33 HydrophobicContact CD1-CZ3 4.49Å; Y29-W33 AromaticContact CD1-NE1 3.23Å; Y29-W33 HydrophobicContact CD2-CH2 4.27Å; Y29-W33 HydrophobicContact CD2-CZ2 4.26Å; Y29-W33 HydrophobicContact CE1-CD2 4.43Å; Y29-W33 AromaticContact CE1-CE2 3.49Å; Y29-W33 VanDerWaalsContact CE1-CE2 3.49Å; Y29-W33 HydrophobicContact CE1-CH2 4.35Å; Y29-W33 AromaticContact CE1-CZ2 3.44Å; Y29-W33 HydrophobicContact CE1-CZ2 3.44Å; Y29-W33 VanDerWaalsContact CE1-CZ2 3.44Å; Y29-W33 AromaticContact CE1-NE1 3.46Å; Y29-W33 HydrophobicContact CE2-CZ2 4.36Å; Y29-W33 AromaticContact CG-CD2 3.96Å; Y29-W33 HydrophobicContact CG-CD2 3.96Å; Y29-W33 AromaticContact CG-CE2 3.76Å; Y29-W33 HydrophobicContact CG-CE3 4.18Å; Y29-W33 HydrophobicContact CG-CH2 4.01Å; Y29-W33 AromaticContact CG-CZ2 3.79Å; Y29-W33 HydrophobicContact CG-CZ2 3.79Å; Y29-W33 HydrophobicContact CG-CZ3 4.2Å; Y29-W33 AromaticContact CZ-CZ2 3.95Å; Y29-W33 PolarHBondContact O-N 3.11Å; W33-I35 HydrophobicContact CB-CG1 4.17Å; W33-I35 HydrophobicContact CB-CG2 3.92Å; W33-I35 HydrophobicContact CE3-CD1 4.3Å; W33-I35 PolarHBondContact O-N 2.86Å; W33-L206 HydrophobicContact CZ3-CD2 4.16Å; W33-L206 HydrophobicContact CZ3-CG 4.35Å; W33-A207 HydrophobicContact CH2-CB 3.85Å; W33-A207 HydrophobicContact CZ2-CB 3.58Å; W33-L210 HydrophobicContact CE3-CD1 3.87Å; W33-L210 HydrophobicContact CZ3-CD1 4.22Å; W33-E212 HydrophobicContact CB-CG 3.92Å; W33-E212 HydrophobicContact CD2-CB 4.08Å; W33-E212 HydrophobicContact CD2-CG 4.34Å; W33-E212 HydrophobicContact CG-CB 3.84Å; W33-E212 HydrophobicContact CG-CG 3.78Å; W33-K213 PolarHBondContact NE1-O 3.28Å; W33-W214 HydrophobicContact CH2-CE3 4.07Å; W33-W214 HydrophobicContact CH2-CZ3 4.26Å; W33-W214 AromaticContact CZ2-CE3 3.93Å; W33-W214 HydrophobicContact CZ2-CE3 3.93Å; W33-W214 HydrophobicContact CZ2-CZ3 4.44Å
34N96.4Very high97.9Very high48 Ų4835.1 Ų35.126%0.25717%0.171SC..SBendtrans-77.961.8175.9-164.648.2000111.1P3 L4 L5 R6 E212P3-N34 PolarHBondContact O-ND2 3.37Å; P3-N34 VanDerWaalsContact O-ND2 3.1Å; L4-N34 PolarHBondContact O-ND2 3.38Å; L5-N34 VanDerWaalsContact CD2-C 3.48Å; L5-N34 HydrophobicContact CD2-CB 4.45Å; L5-N34 WeakPolarHBondContact CD2-OD1 3.33Å; R6-N34 PolarHBondContact N-O 3.05Å; N34-E212 WeakPolarHBondContact CB-OE1 3.37Å; N34-E212 PolarHBondContact N-OE1 3.2Å
35I97.7Very high97.7Very high10 Ų1036.4 Ų36.45%0.05119%0.189CC..EExtended strand (participates in β ladder)trans-120.3151.9-175.365.3169.2000113.1R6 V8 W33 L37 L210R6-I35 CarbonylContact O-C 3.52Å; R6-I35 VanDerWaalsContact O-CA 3.24Å; R6-I35 WeakPolarHBondContact O-CA 3.12Å; V8-I35 HydrophobicContact CG2-CB 4Å; V8-I35 HydrophobicContact CG2-CD1 4.42Å; V8-I35 HydrophobicContact CG2-CG2 3.81Å; W33-I35 HydrophobicContact CB-CG1 4.17Å; W33-I35 HydrophobicContact CB-CG2 3.92Å; W33-I35 HydrophobicContact CE3-CD1 4.3Å; W33-I35 PolarHBondContact O-N 2.86Å; I35-L37 HydrophobicContact CD1-CB 4.49Å; I35-L210 HydrophobicContact CG2-CD1 3.77Å; I35-L210 HydrophobicContact CG2-CD2 4.25Å
36N97.6Very high97.6Very high67 Ų6737.7 Ų37.736%0.35820%0.203SC..EExtended strand (participates in β ladder)trans-10698.3163.9177.227.2000108.2L5 R6 V8 Q38L5-N36 HydrophobicContact CB-CB 4.16Å; R6-N36 PolarHBondContact O-N 2.84Å; V8-N36 PolarHBondContact N-O 3.09Å; N36-Q38 PolarHBondContact ND2-NE2 2.81Å; N36-Q38 PolarHBondContact O-N 3.39Å
37L98.6Very high97.6Very high25 Ų2537.7 Ų37.713%0.13120%0.203CC..EExtended strand (participates in β ladder)trans-76.4117.1-179.9179.160.9000110.4V8 L10 L26 Q30 I35 L39V8-L37 HydrophobicContact CG1-CD1 4.33Å; V8-L37 WeakPolarHBondContact O-CA 3.29Å; L10-L37 HydrophobicContact CB-CD1 4.31Å; L26-L37 HydrophobicContact CB-CD1 3.98Å; L26-L37 HydrophobicContact CB-CD2 3.99Å; L26-L37 HydrophobicContact CD1-CD1 4.14Å; Q30-L37 HydrophobicContact CB-CB 4.27Å; Q30-L37 HydrophobicContact CB-CD2 4.16Å; I35-L37 HydrophobicContact CD1-CB 4.49Å; L37-L39 HydrophobicContact CD1-CD2 4.5Å; L37-L39 HydrophobicContact CD2-CD2 4.29Å; L37-L39 HydrophobicContact CG-CD2 4.26Å
38Q98.8Very high97.4Very high69 Ų6938.6 Ų38.632%0.32221%0.207SC..EExtended strand (participates in β ladder)trans-108.8112.6175.3-63.7-171.25.900110.2T7 V8 E9 L10 N36T7-Q38 HydrophobicContact CG2-CG 4.14Å; V8-Q38 PolarHBondContact O-N 2.9Å; E9-Q38 CarbonylContact C-O 3.55Å; E9-Q38 WeakPolarHBondContact CA-O 3.45Å; E9-Q38 HydrophobicContact CG-CB 4.34Å; L10-Q38 PolarHBondContact N-O 3.36Å; N36-Q38 PolarHBondContact ND2-NE2 2.81Å; N36-Q38 PolarHBondContact O-N 3.39Å
39L98.9Very high97.4Very high29 Ų2944.1 Ų44.115%0.15223%0.232CC..EExtended strand (participates in β ladder)trans-80.6126.9176.6-63.2179.4000110.1L10 Y12 F23 L37 P41 L114 E115L10-L39 HydrophobicContact CB-CD2 4.42Å; L10-L39 HydrophobicContact CD2-CD2 4.04Å; Y12-L39 HydrophobicContact CE1-CB 3.98Å; Y12-L39 HydrophobicContact CE1-CD2 4.49Å; F23-L39 HydrophobicContact CD2-CD2 3.78Å; F23-L39 HydrophobicContact CE2-CD1 3.77Å; F23-L39 HydrophobicContact CE2-CD2 3.77Å; F23-L39 HydrophobicContact CE2-CG 4.42Å; L37-L39 HydrophobicContact CD1-CD2 4.5Å; L37-L39 HydrophobicContact CD2-CD2 4.29Å; L37-L39 HydrophobicContact CG-CD2 4.26Å; L39-P41 WeakPolarHBondContact O-CD 3.3Å; L39-L114 HydrophobicContact CB-CD2 3.65Å; L39-L114 HydrophobicContact CB-CG 4.27Å; L39-L114 HydrophobicContact CD1-CD2 4.33Å; L39-L114 HydrophobicContact CD1-CG 4.18Å; L39-E115 HydrophobicContact CD1-CB 4.1Å; L39-E115 HydrophobicContact CD1-CG 4.45Å
40R98.9Very high97.3Very high71 Ų7149.4 Ų49.427%0.26826%0.261SS..EExtended strand (participates in β ladder)trans-123.784.9-172.7-56.5-70.8-105.6164.8-4.9111.3E9 L10 F11 Y12 S42 T171E9-R40 HydrophobicContact CB-CG 4.16Å; E9-R40 IonicContact OE2-CZ 3.23Å; E9-R40 VanDerWaalsContact OE2-CZ 3.23Å; E9-R40 IonicContact OE2-NE 2.82Å; E9-R40 PolarHBondContact OE2-NE 3.1Å; E9-R40 IonicContact OE2-NH2 2.9Å; E9-R40 PolarHBondContact OE2-NH2 2.86Å; L10-R40 WeakPolarHBondContact O-CA 3.47Å; L10-R40 WeakPolarHBondContact O-CB 3.35Å; L10-R40 PolarHBondContact O-N 3.44Å; F11-R40 WeakPolarHBondContact CA-O 3.24Å; F11-R40 HydrophobicContact CB-CB 4.47Å; F11-R40 HydrophobicContact CD1-CB 3.66Å; F11-R40 HydrophobicContact CD1-CG 4.36Å; F11-R40 HydrophobicContact CD2-CB 4.36Å; F11-R40 HydrophobicContact CE1-CB 3.83Å; F11-R40 HydrophobicContact CE1-CG 4.12Å; F11-R40 HydrophobicContact CE2-CG 4.29Å; F11-R40 HydrophobicContact CG-CB 3.92Å; F11-R40 HydrophobicContact CZ-CB 4.26Å; F11-R40 HydrophobicContact CZ-CG 4.08Å; Y12-R40 PolarHBondContact N-O 3.33Å; R40-S42 PolarHBondContact O-N 3.31Å; R40-S42 VanDerWaalsContact O-N 3.16Å; R40-S42 PolarHBondContact O-OG 3.17Å; R40-T171 HydrophobicContact CB-CG2 3.81Å
41P98.9Very high97.4Very high5 Ų548.8 Ų48.83%0.03226%0.263CS..EExtended strand (participates in β ladder)trans-52121.7174.5-25.934.3000111.4Y12 L39 M100 L103 L114 T171Y12-P41 HydrophobicContact CE1-CG 4.29Å; L39-P41 WeakPolarHBondContact O-CD 3.3Å; P41-M100 HydrophobicContact CB-CE 3.69Å; P41-L103 HydrophobicContact CB-CB 4.04Å; P41-L103 HydrophobicContact CG-CB 4.04Å; P41-L114 HydrophobicContact CG-CD1 3.95Å; P41-L114 HydrophobicContact CG-CD2 4.38Å; P41-T171 VanDerWaalsContact O-CG2 3.28Å; P41-T171 WeakPolarHBondContact O-CG2 3.49Å
42S98.9Very high97.4Very high0 Ų045.4 Ų45.40%026%0.26CS..  trans-138.9154.3-171.8-59.30000111.1F11 Y12 D13 R40 M100F11-S42 WeakPolarHBondContact CD1-OG 3.46Å; Y12-S42 PolarHBondContact O-N 3.34Å; Y12-S42 VanDerWaalsContact O-O 3.06Å; D13-S42 WeakPolarHBondContact CB-O 3.43Å; R40-S42 PolarHBondContact O-N 3.31Å; R40-S42 VanDerWaalsContact O-N 3.16Å; R40-S42 PolarHBondContact O-OG 3.17Å; S42-M100 WeakPolarHBondContact O-CE 3.44Å
43L98.3Very high97.4Very high41 Ų4146.4 Ų46.422%0.21527%0.266CS..  trans-102.3111.8-178.4-165.270000111.3G45 G46 I47 L97 M100 L168 T172L43-G45 PolarHBondContact O-N 3.08Å; L43-G46 PolarHBondContact O-N 3.46Å; L43-I47 PolarHBondContact O-N 2.89Å; L43-L97 HydrophobicContact CD1-CD1 4.31Å; L43-L97 HydrophobicContact CD2-CD1 3.88Å; L43-M100 HydrophobicContact CD1-CB 4.29Å; L43-M100 HydrophobicContact CD1-CG 4.16Å; L43-L168 HydrophobicContact CB-CD1 4.49Å; L43-T172 HydrophobicContact CB-CG2 4.36Å; L43-T172 PolarHBondContact N-OG1 3.01Å; L43-T172 WeakPolarHBondContact O-CG2 3.44Å
44I96.9Very high97Very high25 Ų2553.1 Ų53.113%0.12830%0.295CS..Hα-helixtrans-60-34.5-176.9-162169.6000112.3D13 L15 G46 I47 M48 L183D13-I44 HydrophobicContact CB-CB 4.04Å; D13-I44 HydrophobicContact CB-CG2 4.4Å; D13-I44 WeakPolarHBondContact OD2-CG2 3.43Å; D13-I44 PolarHBondContact OD2-N 3.1Å; L15-I44 HydrophobicContact CD2-CG2 4.2Å; I44-G46 VanDerWaalsContact C-N 3.28Å; I44-G46 PolarHBondContact O-N 3.2Å; I44-I47 PolarHBondContact O-N 3.02Å; I44-M48 HydrophobicContact CD1-CE 3.83Å; I44-M48 HydrophobicContact CG1-CE 3.96Å; I44-M48 HydrophobicContact CG1-CG 4.42Å; I44-M48 HydrophobicContact CG1-SD 4.41Å; I44-M48 WeakPolarHBondContact O-CG 3.5Å; I44-M48 PolarHBondContact O-N 3.23Å; I44-L183 HydrophobicContact CB-CD1 3.94Å; I44-L183 HydrophobicContact CD1-CB 4.18Å; I44-L183 HydrophobicContact CG1-CB 4.33Å; I44-L183 HydrophobicContact CG1-CD1 4.23Å; I44-L183 HydrophobicContact CG1-CG 4.34Å
45G94.9Very high96.7Very high45 Ų4552.7 Ų52.746%0.46430%0.295SS..Hα-helixtrans-63.1-33175.800000113.1L43 K49L43-G45 PolarHBondContact O-N 3.08Å; G45-K49 WeakPolarHBondContact O-CB 3.42Å; G45-K49 PolarHBondContact O-N 3.23Å; G45-K49 VanDerWaalsContact O-N 3.16Å
46G96.9Very high96.3Very high28 Ų2855.1 Ų55.129%0.28931%0.311SS..Hα-helixtrans-68.3-46174.500000112L43 I44 K49 D50L43-G46 PolarHBondContact O-N 3.46Å; I44-G46 VanDerWaalsContact C-N 3.28Å; I44-G46 PolarHBondContact O-N 3.2Å; G46-K49 PolarHBondContact O-N 3.44Å; G46-D50 WeakPolarHBondContact O-CB 3.47Å; G46-D50 PolarHBondContact O-N 3.45Å
47I98.3Very high95.8Very high0 Ų052 Ų520%030%0.295CS..Hα-helixtrans-65.1-44.1179.2-68163.3000111.6L43 I44 K49 D50 S51 T172 A175 A180 L183L43-I47 PolarHBondContact O-N 2.89Å; I44-I47 PolarHBondContact O-N 3.02Å; I47-K49 VanDerWaalsContact C-N 3.33Å; I47-K49 PolarHBondContact O-N 2.6Å; I47-D50 PolarHBondContact O-N 2.81Å; I47-S51 WeakPolarHBondContact O-CB 3.46Å; I47-S51 PolarHBondContact O-N 2.94Å; I47-S51 PolarHBondContact O-OG 3.29Å; I47-T172 HydrophobicContact CD1-CG2 4.35Å; I47-T172 HydrophobicContact CG1-CG2 3.8Å; I47-A175 HydrophobicContact CD1-CB 3.87Å; I47-A175 HydrophobicContact CG1-CB 4.36Å; I47-A180 HydrophobicContact CD1-CB 4.39Å; I47-A180 HydrophobicContact CG2-CB 3.84Å; I47-A180 WeakPolarHBondContact CG2-O 3.37Å; I47-L183 HydrophobicContact CD1-CD1 3.8Å; I47-L183 HydrophobicContact CD1-CD2 3.58Å; I47-L183 HydrophobicContact CD1-CG 3.64Å
48M95.6Very high95.3Very high26 Ų2655 Ų5513%0.12831%0.31CS..Hα-helixtrans-64.4-38.8178-75.1-176.1174.900112I44 G52 N53 P55I44-M48 HydrophobicContact CD1-CE 3.83Å; I44-M48 HydrophobicContact CG1-CE 3.96Å; I44-M48 HydrophobicContact CG1-CG 4.42Å; I44-M48 HydrophobicContact CG1-SD 4.41Å; I44-M48 WeakPolarHBondContact O-CG 3.5Å; I44-M48 PolarHBondContact O-N 3.23Å; M48-G52 CarbonylContact O-C 3.49Å; M48-G52 WeakPolarHBondContact O-CA 3.33Å; M48-G52 PolarHBondContact O-N 3.49Å; M48-N53 PolarHBondContact O-N 3.18Å; M48-N53 VanDerWaalsContact O-N 3.09Å; M48-P55 HydrophobicContact CE-CB 4.39Å; M48-P55 HydrophobicContact CE-CG 4.32Å; M48-P55 HydrophobicContact SD-CB 4.44Å; M48-P55 HydrophobicContact SD-CG 3.75Å
49K96.5Very high94.9Very high184 Ų18456.3 Ų56.380%0.832%0.319SS*.Hα-helixtrans-63.4-46.4175.6-177.3-178.1177.4-176.50111.8G45 G46 I47G45-K49 WeakPolarHBondContact O-CB 3.42Å; G45-K49 PolarHBondContact O-N 3.23Å; G45-K49 VanDerWaalsContact O-N 3.16Å; G46-K49 PolarHBondContact O-N 3.44Å; I47-K49 VanDerWaalsContact C-N 3.33Å; I47-K49 PolarHBondContact O-N 2.6Å
50D97.9Very high94.6Very high111 Ų11159.8 Ų59.859%0.59434%0.343SS*.Hα-helixtrans-66.3-47.4-178.6-179.975.1000112.3G46 I47 G52 C176G46-D50 WeakPolarHBondContact O-CB 3.47Å; G46-D50 PolarHBondContact O-N 3.45Å; I47-D50 PolarHBondContact O-N 2.81Å; D50-G52 VanDerWaalsContact C-N 3.29Å; D50-G52 PolarHBondContact O-N 3.22Å; D50-C176 VanDerWaalsContact OD2-CB 3.26Å; D50-C176 WeakPolarHBondContact OD2-CB 3.35Å; D50-C176 PolarHBondContact OD2-SG 3.3Å
51S97.1Very high94.4Very high49 Ų4966.7 Ų66.734%0.34337%0.37SS..Hα-helixtrans-76.7-10.5-179.960.40000114.8I47 N53I47-S51 WeakPolarHBondContact O-CB 3.46Å; I47-S51 PolarHBondContact O-N 2.94Å; I47-S51 PolarHBondContact O-OG 3.29Å; S51-N53 PolarHBondContact O-N 2.89Å; S51-N53 WeakPolarHBondContact OG-CB 3.38Å; S51-N53 PolarHBondContact OG-N 3.06Å
52G95.8Very high94.2Very high62 Ų6271.9 Ų71.964%0.63939%0.392SS*.THydrogen-bonded Turntrans71.19.8-172.100000114.5M48 D50M48-G52 CarbonylContact O-C 3.49Å; M48-G52 WeakPolarHBondContact O-CA 3.33Å; M48-G52 PolarHBondContact O-N 3.49Å; D50-G52 VanDerWaalsContact C-N 3.29Å; D50-G52 PolarHBondContact O-N 3.22Å
53N94.8Very high93.8Very high69 Ų6972.4 Ų72.437%0.36940%0.397SS..  trans-76.9162.6179-162.313.5000111.9M48 S51 F181M48-N53 PolarHBondContact O-N 3.18Å; M48-N53 VanDerWaalsContact O-N 3.09Å; S51-N53 PolarHBondContact O-N 2.89Å; S51-N53 WeakPolarHBondContact OG-CB 3.38Å; S51-N53 PolarHBondContact OG-N 3.06Å; N53-F181 WeakPolarHBondContact CB-O 3.44Å; N53-F181 PolarHBondContact ND2-O 3.14Å
54K90.1Very high93.5Very high152 Ų15276.9 Ų76.966%0.66142%0.417SS*.  trans-126.8153.1177.6-64.9-176.4-177.7179.40110.9L58K54-L58 HydrophobicContact CB-CD1 4.37Å
55P89.3Confident93.5Very high39 Ų3982.8 Ų82.825%0.25344%0.439SS..  trans-55.8128.5176.1-23.430.9000111.6M48 G57 L58M48-P55 HydrophobicContact CE-CB 4.39Å; M48-P55 HydrophobicContact CE-CG 4.32Å; M48-P55 HydrophobicContact SD-CB 4.44Å; M48-P55 HydrophobicContact SD-CG 3.75Å; P55-G57 PolarHBondContact O-N 3.33Å; P55-L58 HydrophobicContact CB-CG 4.25Å; P55-L58 HydrophobicContact CG-CD1 4.36Å; P55-L58 WeakPolarHBondContact O-CB 3.28Å; P55-L58 PolarHBondContact O-N 3.42Å; P55-L58 VanDerWaalsContact O-N 3.14Å
56P90.1Very high93.5Very high60 Ų6081.3 Ų81.339%0.3942%0.42SS..G310 helixtrans-62.4-29.3-176.123.1-33.2000112.7L58 L59 K62 M66P56-L58 PolarHBondContact O-N 3.06Å; P56-L59 PolarHBondContact O-N 2.99Å; P56-K62 HydrophobicContact CB-CD 4.22Å; P56-K62 WeakPolarHBondContact O-CB 3.44Å; P56-M66 HydrophobicContact CB-SD 4.19Å; P56-M66 HydrophobicContact CG-SD 3.76Å
57G86.5Confident93.3Very high1 Ų181 Ų811%0.0142%0.415CS..G310 helixtrans-63.3-17.8178.200000114.8P55 L59 F88P55-G57 PolarHBondContact O-N 3.33Å; G57-L59 PolarHBondContact O-N 3.49Å; G57-F88 WeakPolarHBondContact O-CE1 3.39Å; G57-F88 VanDerWaalsContact O-CZ 3.32Å; G57-F88 WeakPolarHBondContact O-CZ 3.43Å
58L86.8Confident93.2Very high88 Ų8885 Ų8546%0.46144%0.436SS..G310 helixtrans-65.3-22.9174.6-67.1-179.5000112.9K54 P55 P56 P60 F88 I92K54-L58 HydrophobicContact CB-CD1 4.37Å; P55-L58 HydrophobicContact CB-CG 4.25Å; P55-L58 HydrophobicContact CG-CD1 4.36Å; P55-L58 WeakPolarHBondContact O-CB 3.28Å; P55-L58 PolarHBondContact O-N 3.42Å; P55-L58 VanDerWaalsContact O-N 3.14Å; P56-L58 PolarHBondContact O-N 3.06Å; L58-P60 WeakPolarHBondContact O-CD 3.34Å; L58-F88 HydrophobicContact CD2-CE1 4.26Å; L58-I92 HydrophobicContact CD2-CD1 3.58Å
59L92Very high93.3Very high97 Ų9785.2 Ų85.251%0.50844%0.438SS..SBendtrans-90.2116.1171.7-175.171.4000108.9P56 G57 R61 K62 G63P56-L59 PolarHBondContact O-N 2.99Å; G57-L59 PolarHBondContact O-N 3.49Å; L59-R61 VanDerWaalsContact C-N 3.31Å; L59-R61 PolarHBondContact O-N 2.84Å; L59-R61 VanDerWaalsContact O-N 3.1Å; L59-K62 HydrophobicContact CB-CB 4.24Å; L59-K62 HydrophobicContact CB-CD 4.32Å; L59-K62 HydrophobicContact CB-CG 4.47Å; L59-K62 HydrophobicContact CD2-CD 3.87Å; L59-K62 HydrophobicContact CD2-CG 3.95Å; L59-K62 WeakPolarHBondContact O-CA 3.46Å; L59-K62 WeakPolarHBondContact O-CB 3.37Å; L59-K62 PolarHBondContact O-N 2.98Å; L59-G63 PolarHBondContact O-N 2.87Å
60P91.1Very high93.3Very high102 Ų10276.5 Ų76.566%0.66240%0.4SS*.Hα-helixtrans-53.1-41.7-169-31.336000115L58 K62 G63 Q64L58-P60 WeakPolarHBondContact O-CD 3.34Å; P60-K62 PolarHBondContact O-N 3.38Å; P60-G63 PolarHBondContact O-N 3.24Å; P60-Q64 WeakPolarHBondContact O-CB 3.25Å; P60-Q64 PolarHBondContact O-N 2.81Å
61R95.8Very high93.3Very high216 Ų21677.3 Ų77.382%0.81540%0.398SS*.Hα-helixtrans-65.4-37177.9-68.8-177.8-179.9169.7-0.5112.9L59 Y65L59-R61 VanDerWaalsContact C-N 3.31Å; L59-R61 PolarHBondContact O-N 2.84Å; L59-R61 VanDerWaalsContact O-N 3.1Å; R61-Y65 WeakPolarHBondContact O-CB 3.24Å; R61-Y65 PolarHBondContact O-N 2.81Å
62K94.2Very high93.3Very high114 Ų11480.9 Ų80.950%0.49641%0.413SS..Hα-helixtrans-71.3-39.6174.8-78.7-179.6-178.8-172.10111.1P56 L59 P60 Y65 M66P56-K62 HydrophobicContact CB-CD 4.22Å; P56-K62 WeakPolarHBondContact O-CB 3.44Å; L59-K62 HydrophobicContact CB-CB 4.24Å; L59-K62 HydrophobicContact CB-CD 4.32Å; L59-K62 HydrophobicContact CB-CG 4.47Å; L59-K62 HydrophobicContact CD2-CD 3.87Å; L59-K62 HydrophobicContact CD2-CG 3.95Å; L59-K62 WeakPolarHBondContact O-CA 3.46Å; L59-K62 WeakPolarHBondContact O-CB 3.37Å; L59-K62 PolarHBondContact O-N 2.98Å; P60-K62 PolarHBondContact O-N 3.38Å; K62-Y65 PolarHBondContact O-N 3.46Å; K62-M66 VanDerWaalsContact O-CG 3.29Å; K62-M66 WeakPolarHBondContact O-CG 3.31Å; K62-M66 PolarHBondContact O-N 3.2Å
63G91.1Very high93.4Very high12 Ų1279.1 Ų79.112%0.12439%0.389CS..Hα-helixtrans-59.4-47172.800000112.5L59 P60 Y65 M66 A67L59-G63 PolarHBondContact O-N 2.87Å; P60-G63 PolarHBondContact O-N 3.24Å; G63-Y65 PolarHBondContact O-N 2.86Å; G63-M66 PolarHBondContact O-N 2.72Å; G63-A67 PolarHBondContact O-N 3.44Å; G63-A67 VanDerWaalsContact O-N 3.08Å
64Q92.7Very high93.6Very high135 Ų13580.3 Ų80.363%0.63139%0.388SS*.Hα-helixtrans-62.6-41.8176.1-172.2177.126.400112.2P60 A67 N68P60-Q64 WeakPolarHBondContact O-CB 3.25Å; P60-Q64 PolarHBondContact O-N 2.81Å; Q64-A67 PolarHBondContact O-N 2.96Å; Q64-N68 PolarHBondContact O-N 3.14Å
65Y96.4Very high94Very high149 Ų14979.8 Ų79.858%0.58439%0.388SS*.Hα-helixtrans-58.5-50.5173.8177.6-89.4000111.2R61 K62 G63 A67 N68 D69R61-Y65 WeakPolarHBondContact O-CB 3.24Å; R61-Y65 PolarHBondContact O-N 2.81Å; K62-Y65 PolarHBondContact O-N 3.46Å; G63-Y65 PolarHBondContact O-N 2.86Å; Y65-A67 VanDerWaalsContact C-N 3.29Å; Y65-A67 PolarHBondContact O-N 3.48Å; Y65-N68 PolarHBondContact O-N 2.91Å; Y65-N68 VanDerWaalsContact O-N 3.08Å; Y65-D69 HydrophobicContact CD1-CB 4.28Å; Y65-D69 HydrophobicContact CE1-CB 3.9Å; Y65-D69 WeakPolarHBondContact O-CB 3.32Å; Y65-D69 PolarHBondContact O-N 3.17Å
66M94.9Very high94.4Very high14 Ų1483.3 Ų83.37%0.06940%0.401CS..Hα-helixtrans-56.5-42179.4-72.2177.356.200112.6Y18 P56 K62 G63 N68 D69 I70 F83 F87Y18-M66 HydrophobicContact CE2-CE 3.9Å; Y18-M66 HydrophobicContact CE2-CG 4.28Å; P56-M66 HydrophobicContact CB-SD 4.19Å; P56-M66 HydrophobicContact CG-SD 3.76Å; K62-M66 VanDerWaalsContact O-CG 3.29Å; K62-M66 WeakPolarHBondContact O-CG 3.31Å; K62-M66 PolarHBondContact O-N 3.2Å; G63-M66 PolarHBondContact O-N 2.72Å; M66-N68 VanDerWaalsContact C-N 3.33Å; M66-N68 PolarHBondContact O-N 3.49Å; M66-D69 PolarHBondContact O-N 3.28Å; M66-I70 WeakPolarHBondContact O-CB 3.48Å; M66-I70 WeakPolarHBondContact O-CG1 3.37Å; M66-I70 PolarHBondContact O-N 3.24Å; M66-F83 HydrophobicContact CB-CE2 4.38Å; M66-F87 HydrophobicContact CE-CE2 4.15Å; M66-F87 HydrophobicContact CE-CZ 3.73Å
67A92.7Very high94.8Very high22 Ų2281 Ų8118%0.18239%0.385CS..Hα-helixtrans-65-35.9178.700000112.6G63 Q64 Y65 K71 F83G63-A67 PolarHBondContact O-N 3.44Å; G63-A67 VanDerWaalsContact O-N 3.08Å; Q64-A67 PolarHBondContact O-N 2.96Å; Y65-A67 VanDerWaalsContact C-N 3.29Å; Y65-A67 PolarHBondContact O-N 3.48Å; A67-K71 WeakPolarHBondContact O-CG 3.47Å; A67-F83 HydrophobicContact CB-CD1 4.27Å; A67-F83 HydrophobicContact CB-CD2 4.24Å; A67-F83 HydrophobicContact CB-CE1 4.33Å; A67-F83 HydrophobicContact CB-CE2 4.33Å; A67-F83 HydrophobicContact CB-CG 4.2Å; A67-F83 HydrophobicContact CB-CZ 4.36Å
68N96.3Very high95.4Very high83 Ų8387.5 Ų87.544%0.44441%0.414SS..Hα-helixtrans-75.3-42.2175.4-71.6-23.5000111.8Q64 Y65 M66 K71 L72Q64-N68 PolarHBondContact O-N 3.14Å; Y65-N68 PolarHBondContact O-N 2.91Å; Y65-N68 VanDerWaalsContact O-N 3.08Å; M66-N68 VanDerWaalsContact C-N 3.33Å; M66-N68 PolarHBondContact O-N 3.49Å; N68-K71 WeakPolarHBondContact O-CB 3.22Å; N68-K71 PolarHBondContact O-N 3.39Å; N68-L72 PolarHBondContact O-N 3.44Å
69D97.9Very high96Very high30 Ų3083.5 Ų83.516%0.1639%0.393CS..Hα-helixtrans-61.1-48.5179.4-170.537000111.1Y18 Y65 M66 K71 L72 L73Y18-D69 PolarHBondContact OH-OD2 2.69Å; Y65-D69 HydrophobicContact CD1-CB 4.28Å; Y65-D69 HydrophobicContact CE1-CB 3.9Å; Y65-D69 WeakPolarHBondContact O-CB 3.32Å; Y65-D69 PolarHBondContact O-N 3.17Å; M66-D69 PolarHBondContact O-N 3.28Å; D69-K71 PolarHBondContact O-N 3.14Å; D69-K71 VanDerWaalsContact O-N 3.14Å; D69-L72 PolarHBondContact O-N 3.2Å; D69-L73 WeakPolarHBondContact O-CG 3.26Å; D69-L73 PolarHBondContact O-N 3.22Å; D69-L73 WeakPolarHBondContact OD2-CD1 3.37Å
70I96.4Very high96.2Very high2 Ų281.2 Ų81.21%0.0139%0.385CS..Hα-helixtrans-56.7-34.5177.5-77.1166.8000112.5P17 M66 R74 I81 F83P17-I70 HydrophobicContact CB-CD1 3.82Å; P17-I70 HydrophobicContact CG-CD1 3.87Å; M66-I70 WeakPolarHBondContact O-CB 3.48Å; M66-I70 WeakPolarHBondContact O-CG1 3.37Å; M66-I70 PolarHBondContact O-N 3.24Å; I70-R74 WeakPolarHBondContact O-CB 3.28Å; I70-R74 PolarHBondContact O-N 2.86Å; I70-I81 HydrophobicContact CG2-CD1 4.31Å; I70-I81 HydrophobicContact CG2-CG1 3.98Å; I70-I81 HydrophobicContact CG2-CG2 4.02Å; I70-F83 HydrophobicContact CD1-CD2 3.65Å; I70-F83 HydrophobicContact CD1-CE2 4.03Å
71K96.4Very high96.5Very high128 Ų12876.5 Ų76.556%0.55735%0.354SS*.Hα-helixtrans-64.2-42.3175.3-68.5170.1-174.8172.90111.7A67 N68 D69 R74 H75A67-K71 WeakPolarHBondContact O-CG 3.47Å; N68-K71 WeakPolarHBondContact O-CB 3.22Å; N68-K71 PolarHBondContact O-N 3.39Å; D69-K71 PolarHBondContact O-N 3.14Å; D69-K71 VanDerWaalsContact O-N 3.14Å; K71-R74 WeakPolarHBondContact O-CB 3.35Å; K71-H75 PolarHBondContact O-CD2 2.78Å
72L98.3Very high96.4Very high123 Ų12370.5 Ų70.564%0.64434%0.335SS*.Hα-helixtrans-70.9-45.2178-60.9176.4000110.8N68 D69 R74 H75 H76N68-L72 PolarHBondContact O-N 3.44Å; D69-L72 PolarHBondContact O-N 3.2Å; L72-R74 VanDerWaalsContact C-N 3.29Å; L72-R74 PolarHBondContact O-N 3.47Å; L72-H75 PolarHBondContact O-N 2.95Å; L72-H75 VanDerWaalsContact O-N 3.1Å; L72-H76 PolarHBondContact O-N 3.33Å
73L98.5Very high96.1Very high25 Ų2568 Ų6813%0.13132%0.324CS..Hα-helixtrans-63.8-32.5-179.4-64.7176.8000112.4Y18 L21 D69 H75 H76 F77Y18-L73 HydrophobicContact CD1-CD1 4.36Å; Y18-L73 HydrophobicContact CE1-CD1 3.82Å; L21-L73 HydrophobicContact CD1-CB 3.96Å; L21-L73 HydrophobicContact CD1-CD1 3.56Å; L21-L73 HydrophobicContact CD1-CG 4.33Å; D69-L73 WeakPolarHBondContact O-CG 3.26Å; D69-L73 PolarHBondContact O-N 3.22Å; D69-L73 WeakPolarHBondContact OD2-CD1 3.37Å; L73-H75 VanDerWaalsContact C-N 3.26Å; L73-H75 PolarHBondContact O-N 3.26Å; L73-H76 PolarHBondContact O-N 3.25Å; L73-F77 HydrophobicContact CB-CD2 4.31Å; L73-F77 HydrophobicContact CD2-CD2 3.99Å; L73-F77 HydrophobicContact CD2-CE2 3.62Å; L73-F77 WeakPolarHBondContact O-CB 3.49Å; L73-F77 PolarHBondContact O-N 2.71Å
74R98.2Very high95.8Very high94 Ų9467.8 Ų67.836%0.35532%0.32SS..Hα-helixtrans-49.4-48.7170.2-175.9-166.4174.2153.4-1.6111.8I70 K71 L72 Q78 I79 I81I70-R74 WeakPolarHBondContact O-CB 3.28Å; I70-R74 PolarHBondContact O-N 2.86Å; K71-R74 WeakPolarHBondContact O-CB 3.35Å; L72-R74 VanDerWaalsContact C-N 3.29Å; L72-R74 PolarHBondContact O-N 3.47Å; R74-Q78 WeakPolarHBondContact O-CA 3.48Å; R74-Q78 PolarHBondContact O-N 2.97Å; R74-Q78 VanDerWaalsContact O-N 3.12Å; R74-I79 WeakPolarHBondContact CA-O 3.41Å; R74-I79 WeakPolarHBondContact CG-O 3.46Å; R74-I79 PolarHBondContact O-N 3.19Å; R74-I81 HydrophobicContact CB-CG2 3.84Å; R74-I81 WeakPolarHBondContact CD-O 3.44Å; R74-I81 HydrophobicContact CG-CG2 4.28Å; R74-I81 WeakPolarHBondContact CG-O 3.3Å
75H98.3Very high95.3Very high142 Ų14270.9 Ų70.966%0.65733%0.332SS*.Hα-helixtrans-75.7-44.7-179.1-63.2-67.2000111.7K71 L72 L73 F77 Q78K71-H75 PolarHBondContact O-CD2 2.78Å; L72-H75 PolarHBondContact O-N 2.95Å; L72-H75 VanDerWaalsContact O-N 3.1Å; L73-H75 VanDerWaalsContact C-N 3.26Å; L73-H75 PolarHBondContact O-N 3.26Å; H75-F77 PolarHBondContact O-N 2.6Å; H75-Q78 PolarHBondContact O-N 3.12Å
76H98.5Very high94.6Very high113 Ų11368.1 Ų68.152%0.52333%0.327SS..Hα-helixtrans-64.3-41.8-178-179.8-118.5000113L72 L73 P217L72-H76 PolarHBondContact O-N 3.33Å; L73-H76 PolarHBondContact O-N 3.25Å; H76-P217 WeakPolarHBondContact O-CG 3.45Å
77F98.4Very high93.8Very high12 Ų1268.1 Ų68.15%0.05333%0.327CS..Hα-helixtrans-89.9-8.7179.7-75.1-117.4000113L21 V25 R28 L73 H75 I79 P217L21-F77 HydrophobicContact CB-CD1 4.05Å; L21-F77 HydrophobicContact CB-CE1 4.02Å; L21-F77 HydrophobicContact CD2-CB 4.37Å; L21-F77 HydrophobicContact CD2-CD1 4.44Å; L21-F77 HydrophobicContact CD2-CG 4.36Å; V25-F77 HydrophobicContact CG2-CD1 3.58Å; V25-F77 HydrophobicContact CG2-CE1 3.44Å; V25-F77 VanDerWaalsContact CG2-CE1 3.44Å; R28-F77 VanDerWaalsContact CZ-O 3.3Å; R28-F77 PolarHBondContact NH1-O 2.87Å; R28-F77 PolarHBondContact NH2-O 3.42Å; L73-F77 HydrophobicContact CB-CD2 4.31Å; L73-F77 HydrophobicContact CD2-CD2 3.99Å; L73-F77 HydrophobicContact CD2-CE2 3.62Å; L73-F77 WeakPolarHBondContact O-CB 3.49Å; L73-F77 PolarHBondContact O-N 2.71Å; H75-F77 PolarHBondContact O-N 2.6Å; F77-I79 VanDerWaalsContact C-N 3.28Å; F77-I79 HydrophobicContact CB-CD1 3.69Å; F77-I79 HydrophobicContact CB-CG1 4.01Å; F77-I79 HydrophobicContact CD1-CD1 4.2Å; F77-I79 HydrophobicContact CG-CD1 4.39Å; F77-I79 PolarHBondContact O-N 3.23Å; F77-P217 HydrophobicContact CD1-CB 3.82Å; F77-P217 HydrophobicContact CD2-CB 4.3Å; F77-P217 HydrophobicContact CE1-CB 4Å; F77-P217 HydrophobicContact CE2-CB 4.42Å; F77-P217 HydrophobicContact CG-CB 3.97Å; F77-P217 HydrophobicContact CZ-CB 4.28Å
78Q98.4Very high92.9Very high136 Ų13672 Ų7264%0.63634%0.34SS*.THydrogen-bonded Turntrans52.345.9-173-57.5-179.629.300112.6R28 R74 H75 V218R28-Q78 PolarHBondContact NH2-O 2.81Å; R74-Q78 WeakPolarHBondContact O-CA 3.48Å; R74-Q78 PolarHBondContact O-N 2.97Å; R74-Q78 VanDerWaalsContact O-N 3.12Å; H75-Q78 PolarHBondContact O-N 3.12Å; Q78-V218 HydrophobicContact CB-CG2 4.14Å; Q78-V218 HydrophobicContact CG-CG2 3.95Å
79I98.5Very high91.9Very high4 Ų468.7 Ų68.72%0.02132%0.323CS..  trans-115.7133176.7-63.9166.4000106.4W20 L21 E24 R74 F77 I81W20-I79 HydrophobicContact CD2-CG2 3.75Å; W20-I79 VanDerWaalsContact CE2-CG2 3.5Å; W20-I79 HydrophobicContact CE3-CG2 3.96Å; W20-I79 HydrophobicContact CG-CG2 4.47Å; W20-I79 HydrophobicContact CH2-CG2 3.71Å; W20-I79 HydrophobicContact CZ2-CG2 3.48Å; W20-I79 VanDerWaalsContact CZ2-CG2 3.48Å; W20-I79 HydrophobicContact CZ3-CG2 3.95Å; L21-I79 HydrophobicContact CD2-CB 4.37Å; L21-I79 HydrophobicContact CD2-CD1 3.62Å; E24-I79 HydrophobicContact CB-CD1 3.53Å; E24-I79 HydrophobicContact CB-CG1 4.13Å; E24-I79 HydrophobicContact CG-CD1 3.6Å; E24-I79 HydrophobicContact CG-CG1 3.96Å; R74-I79 WeakPolarHBondContact CA-O 3.41Å; R74-I79 WeakPolarHBondContact CG-O 3.46Å; R74-I79 PolarHBondContact O-N 3.19Å; F77-I79 VanDerWaalsContact C-N 3.28Å; F77-I79 HydrophobicContact CB-CD1 3.69Å; F77-I79 HydrophobicContact CB-CG1 4.01Å; F77-I79 HydrophobicContact CD1-CD1 4.2Å; F77-I79 HydrophobicContact CG-CD1 4.39Å; F77-I79 PolarHBondContact O-N 3.23Å; I79-I81 HydrophobicContact CG2-CB 4.2Å; I79-I81 PolarHBondContact O-N 2.8Å
80P98.1Very high90.8Very high50 Ų5068.1 Ų68.133%0.32532%0.321SS..  trans-77.141.5-175.434.7-37.8000112.5W20 M123 S127W20-P80 HydrophobicContact CH2-CG 4.11Å; W20-P80 HydrophobicContact CZ2-CG 4.46Å; P80-M123 HydrophobicContact CG-CE 3.92Å; P80-M123 HydrophobicContact CG-SD 3.59Å; P80-M123 VanDerWaalsContact CG-SD 3.59Å; P80-S127 VanDerWaalsContact O-CB 3.29Å; P80-S127 WeakPolarHBondContact O-CB 3.46Å; P80-S127 PolarHBondContact O-OG 2.96Å
81I97.1Very high89.8Confident2 Ų269.7 Ų69.71%0.0133%0.329CS..  trans-71.6138.4180-167.6166.3000111.3P17 W20 L21 I70 R74 I79 W126P17-I81 HydrophobicContact CB-CD1 3.64Å; W20-I81 HydrophobicContact CE3-CB 4Å; W20-I81 HydrophobicContact CE3-CD1 3.92Å; W20-I81 HydrophobicContact CE3-CG1 3.93Å; W20-I81 HydrophobicContact CZ3-CB 3.75Å; W20-I81 HydrophobicContact CZ3-CD1 4.45Å; W20-I81 HydrophobicContact CZ3-CG1 3.95Å; L21-I81 HydrophobicContact CD2-CD1 4.3Å; L21-I81 HydrophobicContact CD2-CG2 4.28Å; I70-I81 HydrophobicContact CG2-CD1 4.31Å; I70-I81 HydrophobicContact CG2-CG1 3.98Å; I70-I81 HydrophobicContact CG2-CG2 4.02Å; R74-I81 HydrophobicContact CB-CG2 3.84Å; R74-I81 WeakPolarHBondContact CD-O 3.44Å; R74-I81 HydrophobicContact CG-CG2 4.28Å; R74-I81 WeakPolarHBondContact CG-O 3.3Å; I79-I81 HydrophobicContact CG2-CB 4.2Å; I79-I81 PolarHBondContact O-N 2.8Å; I81-W126 CarbonylContact C-O 3.52Å; I81-W126 WeakPolarHBondContact CA-O 3.36Å; I81-W126 HydrophobicContact CG1-CB 4.18Å
82Q92.7Very high88.6Confident91 Ų9168.3 Ų68.343%0.42533%0.326SS..  trans-139.1139.9179.6-58.2-168.348.100108.5P84 W126 S127Q82-P84 WeakPolarHBondContact O-CD 3.31Å; Q82-W126 PolarHBondContact N-O 2.93Å; Q82-W126 VanDerWaalsContact O-O 3.12Å; Q82-S127 PolarHBondContact NE2-O 3.39Å
83F87.7Confident87.7Confident62 Ų6269.7 Ų69.727%0.27233%0.329SS..  trans-73.2125.5174.9-155.9-97.7000108.9M66 A67 I70 F87M66-F83 HydrophobicContact CB-CE2 4.38Å; A67-F83 HydrophobicContact CB-CD1 4.27Å; A67-F83 HydrophobicContact CB-CD2 4.24Å; A67-F83 HydrophobicContact CB-CE1 4.33Å; A67-F83 HydrophobicContact CB-CE2 4.33Å; A67-F83 HydrophobicContact CB-CG 4.2Å; A67-F83 HydrophobicContact CB-CZ 4.36Å; I70-F83 HydrophobicContact CD1-CD2 3.65Å; I70-F83 HydrophobicContact CD1-CE2 4.03Å; F83-F87 HydrophobicContact CD1-CB 4.1Å; F83-F87 HydrophobicContact CD1-CD2 4.4Å; F83-F87 HydrophobicContact CD1-CG 4.49Å; F83-F87 HydrophobicContact CD2-CD2 4.26Å; F83-F87 HydrophobicContact CD2-CE2 4.47Å; F83-F87 HydrophobicContact CE1-CB 3.33Å; F83-F87 HydrophobicContact CE1-CD1 4.21Å; F83-F87 AromaticContact CE1-CD2 3.67Å; F83-F87 HydrophobicContact CE1-CD2 3.67Å; F83-F87 HydrophobicContact CE1-CE2 4.41Å; F83-F87 AromaticContact CE1-CG 3.51Å; F83-F87 HydrophobicContact CE1-CG 3.51Å; F83-F87 AromaticContact CE2-CD2 3.49Å; F83-F87 HydrophobicContact CE2-CD2 3.49Å; F83-F87 VanDerWaalsContact CE2-CD2 3.49Å; F83-F87 AromaticContact CE2-CE2 3.49Å; F83-F87 HydrophobicContact CE2-CE2 3.49Å; F83-F87 VanDerWaalsContact CE2-CE2 3.49Å; F83-F87 HydrophobicContact CE2-CG 4.11Å; F83-F87 HydrophobicContact CE2-CZ 4.16Å; F83-F87 HydrophobicContact CZ-CB 3.71Å; F83-F87 AromaticContact CZ-CD1 3.77Å; F83-F87 HydrophobicContact CZ-CD1 3.77Å; F83-F87 AromaticContact CZ-CD2 3.15Å; F83-F87 HydrophobicContact CZ-CD2 3.15Å; F83-F87 HydrophobicContact CZ-CE1 4.07Å; F83-F87 AromaticContact CZ-CE2 3.47Å; F83-F87 HydrophobicContact CZ-CE2 3.47Å; F83-F87 VanDerWaalsContact CZ-CE2 3.47Å; F83-F87 AromaticContact CZ-CG 3.28Å; F83-F87 HydrophobicContact CZ-CG 3.28Å; F83-F87 AromaticContact CZ-CZ 3.91Å; F83-F87 HydrophobicContact CZ-CZ 3.91Å
84P85.8Confident87Confident6 Ų673.8 Ų73.84%0.03935%0.346CS..  trans-56147.8178.2-2634.3000111.8Q82 D86 V90 W126 D129Q82-P84 WeakPolarHBondContact O-CD 3.31Å; P84-D86 VanDerWaalsContact C-N 3.26Å; P84-D86 PolarHBondContact O-N 3.26Å; P84-V90 HydrophobicContact CB-CG2 4.29Å; P84-W126 HydrophobicContact CG-CE3 3.91Å; P84-W126 HydrophobicContact CG-CH2 4.19Å; P84-W126 HydrophobicContact CG-CZ3 3.71Å; P84-D129 WeakPolarHBondContact CB-OD1 3.35Å
85K82.3Confident86.7Confident201 Ų20170.2 Ų70.287%0.87434%0.339SS*.THydrogen-bonded Turntrans-61.6-39.3177.3-69.9176.8-176.9173.70111.6D129K85-D129 WeakPolarHBondContact CG-OD2 3.18Å; K85-D129 PolarHBondContact N-OD2 3.44Å
86D82.2Confident86.7Confident91 Ų9163.7 Ų63.749%0.48731%0.309SS..THydrogen-bonded Turntrans-118.870.1175.9-167.5-10.3000111.3P84 F88 S89 V90P84-D86 VanDerWaalsContact C-N 3.26Å; P84-D86 PolarHBondContact O-N 3.26Å; D86-F88 PolarHBondContact O-N 3.13Å; D86-S89 PolarHBondContact O-N 3.04Å; D86-S89 WeakPolarHBondContact OD1-CB 3.14Å; D86-S89 PolarHBondContact OD1-N 3.45Å; D86-S89 WeakPolarHBondContact OD2-CB 3.42Å; D86-V90 WeakPolarHBondContact O-CG2 3.45Å; D86-V90 PolarHBondContact O-N 3.4Å; D86-V90 VanDerWaalsContact O-N 3.12Å
87F76.4Confident86.6Confident14 Ų1461.8 Ų61.86%0.06130%0.302CS..Hα-helixtrans-56.1-35.8178.4174.1-95.3000113.3M66 F83 I91 W126M66-F87 HydrophobicContact CE-CE2 4.15Å; M66-F87 HydrophobicContact CE-CZ 3.73Å; F83-F87 HydrophobicContact CD1-CB 4.1Å; F83-F87 HydrophobicContact CD1-CD2 4.4Å; F83-F87 HydrophobicContact CD1-CG 4.49Å; F83-F87 HydrophobicContact CD2-CD2 4.26Å; F83-F87 HydrophobicContact CD2-CE2 4.47Å; F83-F87 HydrophobicContact CE1-CB 3.33Å; F83-F87 HydrophobicContact CE1-CD1 4.21Å; F83-F87 AromaticContact CE1-CD2 3.67Å; F83-F87 HydrophobicContact CE1-CD2 3.67Å; F83-F87 HydrophobicContact CE1-CE2 4.41Å; F83-F87 AromaticContact CE1-CG 3.51Å; F83-F87 HydrophobicContact CE1-CG 3.51Å; F83-F87 AromaticContact CE2-CD2 3.49Å; F83-F87 HydrophobicContact CE2-CD2 3.49Å; F83-F87 VanDerWaalsContact CE2-CD2 3.49Å; F83-F87 AromaticContact CE2-CE2 3.49Å; F83-F87 HydrophobicContact CE2-CE2 3.49Å; F83-F87 VanDerWaalsContact CE2-CE2 3.49Å; F83-F87 HydrophobicContact CE2-CG 4.11Å; F83-F87 HydrophobicContact CE2-CZ 4.16Å; F83-F87 HydrophobicContact CZ-CB 3.71Å; F83-F87 AromaticContact CZ-CD1 3.77Å; F83-F87 HydrophobicContact CZ-CD1 3.77Å; F83-F87 AromaticContact CZ-CD2 3.15Å; F83-F87 HydrophobicContact CZ-CD2 3.15Å; F83-F87 HydrophobicContact CZ-CE1 4.07Å; F83-F87 AromaticContact CZ-CE2 3.47Å; F83-F87 HydrophobicContact CZ-CE2 3.47Å; F83-F87 VanDerWaalsContact CZ-CE2 3.47Å; F83-F87 AromaticContact CZ-CG 3.28Å; F83-F87 HydrophobicContact CZ-CG 3.28Å; F83-F87 AromaticContact CZ-CZ 3.91Å; F83-F87 HydrophobicContact CZ-CZ 3.91Å; F87-I91 HydrophobicContact CD1-CD1 3.99Å; F87-I91 HydrophobicContact CD2-CD1 3.62Å; F87-I91 HydrophobicContact CE1-CD1 3.51Å; F87-I91 HydrophobicContact CE2-CD1 3.13Å; F87-I91 HydrophobicContact CE2-CG1 4.38Å; F87-I91 HydrophobicContact CG-CD1 4.05Å; F87-I91 HydrophobicContact CZ-CD1 3.07Å; F87-I91 HydrophobicContact CZ-CG1 4.47Å; F87-I91 WeakPolarHBondContact O-CB 3.35Å; F87-I91 PolarHBondContact O-N 3.37Å; F87-W126 AromaticContact CD2-CH2 3.7Å; F87-W126 HydrophobicContact CD2-CH2 3.7Å; F87-W126 AromaticContact CD2-CZ3 3.97Å; F87-W126 HydrophobicContact CD2-CZ3 3.97Å; F87-W126 AromaticContact CE2-CH2 3.59Å; F87-W126 HydrophobicContact CE2-CH2 3.59Å; F87-W126 HydrophobicContact CE2-CZ3 4.03Å
88F74.6Confident86.6Confident103 Ų10363.1 Ų63.145%0.45231%0.313SS..Hα-helixtrans-71.6-44.3-178.1-73.5-72.2000111.5G57 L58 D86 V90 I91 I92G57-F88 WeakPolarHBondContact O-CE1 3.39Å; G57-F88 VanDerWaalsContact O-CZ 3.32Å; G57-F88 WeakPolarHBondContact O-CZ 3.43Å; L58-F88 HydrophobicContact CD2-CE1 4.26Å; D86-F88 PolarHBondContact O-N 3.13Å; F88-V90 VanDerWaalsContact C-N 3.32Å; F88-V90 PolarHBondContact O-N 3.36Å; F88-I91 PolarHBondContact O-N 3.31Å; F88-I92 HydrophobicContact CD1-CD1 3.73Å; F88-I92 VanDerWaalsContact O-CB 3.27Å; F88-I92 WeakPolarHBondContact O-CB 3.44Å; F88-I92 PolarHBondContact O-N 3.29Å
89S75.2Confident86.6Confident14 Ų1456.7 Ų56.710%0.09828%0.283CS..Iπ-helixtrans-61.8-41.5174.3-177.90000111.6D86 I91 E93 K94D86-S89 PolarHBondContact O-N 3.04Å; D86-S89 WeakPolarHBondContact OD1-CB 3.14Å; D86-S89 PolarHBondContact OD1-N 3.45Å; D86-S89 WeakPolarHBondContact OD2-CB 3.42Å; S89-I91 PolarHBondContact O-N 2.9Å; S89-E93 VanDerWaalsContact CB-OE2 3.31Å; S89-E93 WeakPolarHBondContact CB-OE2 3.32Å; S89-E93 WeakPolarHBondContact O-CB 3.39Å; S89-E93 PolarHBondContact O-N 2.83Å; S89-E93 VanDerWaalsContact O-N 3.12Å; S89-E93 PolarHBondContact OG-OE2 2.83Å; S89-K94 PolarHBondContact O-N 2.76Å
90V75.2Confident86.6Confident17 Ų1756.5 Ų56.510%0.10328%0.282CS..Iπ-helixtrans-59.6-48.4177.4170.70000111.7L15 P84 D86 F88 G95 V125L15-V90 HydrophobicContact CD1-CG1 3.97Å; P84-V90 HydrophobicContact CB-CG2 4.29Å; D86-V90 WeakPolarHBondContact O-CG2 3.45Å; D86-V90 PolarHBondContact O-N 3.4Å; D86-V90 VanDerWaalsContact O-N 3.12Å; F88-V90 VanDerWaalsContact C-N 3.32Å; F88-V90 PolarHBondContact O-N 3.36Å; V90-G95 PolarHBondContact O-N 2.96Å; V90-G95 VanDerWaalsContact O-N 3.09Å; V90-V125 HydrophobicContact CG1-CG2 3.61Å
91I74Confident86.7Confident35 Ų3556.7 Ų56.718%0.17928%0.276CS..Iπ-helixtrans-83.3-39.8-172.9-71.1176.5000113.4L15 F87 F88 S89 W126L15-I91 HydrophobicContact CD1-CG1 4.18Å; L15-I91 HydrophobicContact CG-CG1 4.11Å; F87-I91 HydrophobicContact CD1-CD1 3.99Å; F87-I91 HydrophobicContact CD2-CD1 3.62Å; F87-I91 HydrophobicContact CE1-CD1 3.51Å; F87-I91 HydrophobicContact CE2-CD1 3.13Å; F87-I91 HydrophobicContact CE2-CG1 4.38Å; F87-I91 HydrophobicContact CG-CD1 4.05Å; F87-I91 HydrophobicContact CZ-CD1 3.07Å; F87-I91 HydrophobicContact CZ-CG1 4.47Å; F87-I91 WeakPolarHBondContact O-CB 3.35Å; F87-I91 PolarHBondContact O-N 3.37Å; F88-I91 PolarHBondContact O-N 3.31Å; S89-I91 PolarHBondContact O-N 2.9Å; I91-W126 HydrophobicContact CD1-CH2 4.2Å
92I72.3Confident86.8Confident99 Ų9956.6 Ų56.651%0.50828%0.276SS..Iπ-helixtrans-94.9-40.7-169.6-57.7-179.3000111.2L58 F88L58-I92 HydrophobicContact CD2-CD1 3.58Å; F88-I92 HydrophobicContact CD1-CD1 3.73Å; F88-I92 VanDerWaalsContact O-CB 3.27Å; F88-I92 WeakPolarHBondContact O-CB 3.44Å; F88-I92 PolarHBondContact O-N 3.29Å
93E78.3Confident87.1Confident152 Ų15252.3 Ų52.371%0.7126%0.256SS*.Iπ-helixtrans-93.7-45.8-172.3-57.2176.7165.500112.1S89S89-E93 VanDerWaalsContact CB-OE2 3.31Å; S89-E93 WeakPolarHBondContact CB-OE2 3.32Å; S89-E93 WeakPolarHBondContact O-CB 3.39Å; S89-E93 PolarHBondContact O-N 2.83Å; S89-E93 VanDerWaalsContact O-N 3.12Å; S89-E93 PolarHBondContact OG-OE2 2.83Å
94K85.7Confident87.6Confident112 Ų11249.4 Ų49.449%0.48724%0.243SC..Iπ-helixtrans-86.4-50.8-173.6-68.6-175.6-173178.70112.8S89 T133S89-K94 PolarHBondContact O-N 2.76Å; K94-T133 HydrophobicContact CB-CG2 3.81Å
95G91.8Very high88.2Confident19 Ų1949.1 Ų49.120%0.19624%0.241CC..  trans64.3-166.9-176.300000113.7V90V90-G95 PolarHBondContact O-N 2.96Å; V90-G95 VanDerWaalsContact O-N 3.09Å
96S97.1Very high89Confident5 Ų539.5 Ų39.54%0.03520%0.2CC..SBendtrans-13012.8-172.856.70000114.2D13 S98 A99 M100D13-S96 VanDerWaalsContact CG-OG 3.29Å; D13-S96 VanDerWaalsContact OD1-CB 3.31Å; D13-S96 WeakPolarHBondContact OD1-CB 3.41Å; D13-S96 PolarHBondContact OD1-OG 2.87Å; D13-S96 PolarHBondContact OD2-OG 3.46Å; S96-S98 PolarHBondContact O-N 3.16Å; S96-A99 WeakPolarHBondContact O-CB 3.43Å; S96-A99 PolarHBondContact O-N 2.84Å; S96-A99 VanDerWaalsContact O-N 3.09Å; S96-M100 WeakPolarHBondContact O-CG 3.26Å; S96-M100 PolarHBondContact O-N 2.99Å
97L97.6Very high89.8Confident73 Ų7336.8 Ų36.838%0.38219%0.188SC..Hα-helixtrans-55.6-47-169.6-178.962.5000113.5L43 R101 L168L43-L97 HydrophobicContact CD1-CD1 4.31Å; L43-L97 HydrophobicContact CD2-CD1 3.88Å; L97-R101 HydrophobicContact CD1-CG 4.38Å; L97-R101 WeakPolarHBondContact O-CB 2.78Å; L97-R101 VanDerWaalsContact O-CG 3.31Å; L97-R101 WeakPolarHBondContact O-CG 3.44Å; L97-R101 PolarHBondContact O-N 2.72Å; L97-L168 HydrophobicContact CD1-CD2 4.31Å
98S98.2Very high90.9Very high40 Ų4038.8 Ų38.828%0.2820%0.199SC..Hα-helixtrans-63.8-43.9178.2-59.20000111.4S96 R101 F102S96-S98 PolarHBondContact O-N 3.16Å; S98-R101 PolarHBondContact O-N 2.85Å; S98-F102 WeakPolarHBondContact O-CB 3.31Å; S98-F102 PolarHBondContact O-N 2.82Å
99A98.7Very high92Very high0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-63.4-45.217800000112.2V14 S96 R101 F102 L103 L121 I132V14-A99 HydrophobicContact CG2-CB 3.96Å; S96-A99 WeakPolarHBondContact O-CB 3.43Å; S96-A99 PolarHBondContact O-N 2.84Å; S96-A99 VanDerWaalsContact O-N 3.09Å; A99-R101 PolarHBondContact O-N 3.01Å; A99-F102 WeakPolarHBondContact O-CB 3.46Å; A99-F102 PolarHBondContact O-N 3.14Å; A99-L103 WeakPolarHBondContact O-CG 3.48Å; A99-L103 PolarHBondContact O-N 2.65Å; A99-L121 HydrophobicContact CB-CD1 4.19Å; A99-L121 HydrophobicContact CB-CD2 4.33Å; A99-I132 HydrophobicContact CB-CD1 4.29Å
100M98.8Very high93.1Very high0 Ų038.7 Ų38.70%020%0.198CC..Hα-helixtrans-69-33.6179.1-64.4-43.8-59.700112.6Y12 D13 V14 P41 S42 L43 S96 L103 T104 L168Y12-M100 HydrophobicContact CE2-CE 4.47Å; Y12-M100 VanDerWaalsContact O-CE 3.32Å; Y12-M100 WeakPolarHBondContact O-CE 3.24Å; D13-M100 HydrophobicContact CB-SD 4.4Å; V14-M100 HydrophobicContact CB-SD 4.31Å; V14-M100 HydrophobicContact CG1-SD 4.15Å; V14-M100 HydrophobicContact CG2-SD 3.79Å; V14-M100 PolarHBondContact N-SD 3.26Å; V14-M100 VanDerWaalsContact N-SD 3.38Å; P41-M100 HydrophobicContact CB-CE 3.69Å; S42-M100 WeakPolarHBondContact O-CE 3.44Å; L43-M100 HydrophobicContact CD1-CB 4.29Å; L43-M100 HydrophobicContact CD1-CG 4.16Å; S96-M100 WeakPolarHBondContact O-CG 3.26Å; S96-M100 PolarHBondContact O-N 2.99Å; M100-L103 HydrophobicContact CE-CD1 4Å; M100-L103 HydrophobicContact SD-CD1 3.94Å; M100-T104 WeakPolarHBondContact O-CB 3.35Å; M100-T104 PolarHBondContact O-N 3.16Å; M100-T104 PolarHBondContact O-OG1 3.13Å; M100-L168 HydrophobicContact CB-CD1 4.15Å; M100-L168 HydrophobicContact CB-CD2 4.04Å
101R98.9Very high94.2Very high55 Ų5541.7 Ų41.721%0.20822%0.218CC..Hα-helixtrans-67.7-39.7170.6-74.8171168.8173.56.3111.8L97 S98 A99 T104 A105 I159 V164 L168L97-R101 HydrophobicContact CD1-CG 4.38Å; L97-R101 WeakPolarHBondContact O-CB 2.78Å; L97-R101 VanDerWaalsContact O-CG 3.31Å; L97-R101 WeakPolarHBondContact O-CG 3.44Å; L97-R101 PolarHBondContact O-N 2.72Å; S98-R101 PolarHBondContact O-N 2.85Å; A99-R101 PolarHBondContact O-N 3.01Å; R101-T104 WeakPolarHBondContact O-CB 3.36Å; R101-T104 PolarHBondContact O-N 3.07Å; R101-A105 PolarHBondContact O-N 3.48Å; R101-I159 HydrophobicContact CB-CB 3.86Å; R101-I159 HydrophobicContact CB-CG2 4.33Å; R101-I159 WeakPolarHBondContact CD-O 3.47Å; R101-V164 HydrophobicContact CB-CG1 3.91Å; R101-V164 HydrophobicContact CG-CG1 4.31Å; R101-V164 WeakPolarHBondContact O-CG1 3.11Å; R101-L168 HydrophobicContact CG-CD2 3.67Å
102F98.9Very high95.4Very high0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-61.2-48.1174.1-174.6-101.6000111.4S98 A99 T104 A105 V106 V117 I138 A142 A152 L155 L156 I159S98-F102 WeakPolarHBondContact O-CB 3.31Å; S98-F102 PolarHBondContact O-N 2.82Å; A99-F102 WeakPolarHBondContact O-CB 3.46Å; A99-F102 PolarHBondContact O-N 3.14Å; F102-T104 PolarHBondContact O-N 2.74Å; F102-A105 WeakPolarHBondContact O-CA 3.36Å; F102-A105 WeakPolarHBondContact O-CB 3.39Å; F102-A105 PolarHBondContact O-N 2.78Å; F102-V106 HydrophobicContact CD1-CG2 4.06Å; F102-V106 HydrophobicContact CE1-CG2 3.78Å; F102-V106 HydrophobicContact CZ-CG2 4.21Å; F102-V106 WeakPolarHBondContact O-CG2 3.4Å; F102-V106 PolarHBondContact O-N 2.82Å; F102-V117 HydrophobicContact CD1-CG1 4.09Å; F102-V117 HydrophobicContact CE1-CG1 3.74Å; F102-I138 HydrophobicContact CB-CG2 3.8Å; F102-I138 HydrophobicContact CD1-CG2 3.44Å; F102-I138 VanDerWaalsContact CD1-CG2 3.44Å; F102-I138 HydrophobicContact CD2-CG2 3.7Å; F102-I138 HydrophobicContact CE1-CG2 3.86Å; F102-I138 HydrophobicContact CE2-CG2 4.09Å; F102-I138 HydrophobicContact CG-CG2 3.34Å; F102-I138 HydrophobicContact CZ-CG2 4.17Å; F102-A142 HydrophobicContact CE1-CB 3.8Å; F102-A142 HydrophobicContact CZ-CB 3.71Å; F102-A152 WeakPolarHBondContact CE2-O 3.48Å; F102-L155 HydrophobicContact CD2-CB 4.29Å; F102-L155 HydrophobicContact CE2-CB 3.67Å; F102-L155 HydrophobicContact CZ-CB 4.29Å; F102-L156 HydrophobicContact CD2-CB 4.31Å; F102-L156 HydrophobicContact CD2-CD1 3.99Å; F102-L156 HydrophobicContact CE2-CB 4.15Å; F102-L156 HydrophobicContact CE2-CD1 4.44Å; F102-I159 HydrophobicContact CB-CG2 3.99Å; F102-I159 HydrophobicContact CD2-CG2 4.14Å
103L98.9Very high96.6Very high0 Ų042.3 Ų42.30%022%0.218CC..Hα-helixtrans-59.5-34.6173.7-71.7178.2000113Y12 V14 P41 A99 M100 V106 S107 L114 V117 S118 L121Y12-L103 HydrophobicContact CE2-CD1 3.98Å; V14-L103 HydrophobicContact CG1-CD1 3.62Å; P41-L103 HydrophobicContact CB-CB 4.04Å; P41-L103 HydrophobicContact CG-CB 4.04Å; A99-L103 WeakPolarHBondContact O-CG 3.48Å; A99-L103 PolarHBondContact O-N 2.65Å; M100-L103 HydrophobicContact CE-CD1 4Å; M100-L103 HydrophobicContact SD-CD1 3.94Å; L103-V106 PolarHBondContact O-N 2.64Å; L103-S107 WeakPolarHBondContact O-CB 3.4Å; L103-S107 PolarHBondContact O-N 2.86Å; L103-L114 HydrophobicContact CB-CD1 4.26Å; L103-L114 HydrophobicContact CD2-CD1 4.05Å; L103-L114 WeakPolarHBondContact O-CD1 3.31Å; L103-V117 HydrophobicContact CD2-CB 4.11Å; L103-V117 HydrophobicContact CD2-CG1 3.66Å; L103-S118 WeakPolarHBondContact CD2-OG 3.32Å; L103-L121 HydrophobicContact CD1-CD1 3.88Å; L103-L121 HydrophobicContact CD2-CD1 3.82Å; L103-L121 HydrophobicContact CG-CD1 3.69Å
104T98.9Very high97.6Very high1 Ų135.5 Ų35.51%0.00619%0.186CC..Hα-helixtrans-64.8-44.2173-57.60000111.2M100 R101 F102 S107 L108 V164 Q167 L168M100-T104 WeakPolarHBondContact O-CB 3.35Å; M100-T104 PolarHBondContact O-N 3.16Å; M100-T104 PolarHBondContact O-OG1 3.13Å; R101-T104 WeakPolarHBondContact O-CB 3.36Å; R101-T104 PolarHBondContact O-N 3.07Å; F102-T104 PolarHBondContact O-N 2.74Å; T104-S107 PolarHBondContact O-N 2.96Å; T104-S107 PolarHBondContact O-OG 3.04Å; T104-L108 HydrophobicContact CG2-CD1 4.39Å; T104-L108 WeakPolarHBondContact O-CG 3.2Å; T104-L108 PolarHBondContact O-N 3.45Å; T104-L108 VanDerWaalsContact O-N 3.14Å; T104-V164 HydrophobicContact CG2-CG1 4.17Å; T104-Q167 HydrophobicContact CG2-CB 3.59Å; T104-Q167 HydrophobicContact CG2-CG 3.47Å; T104-Q167 VanDerWaalsContact CG2-CG 3.47Å; T104-L168 HydrophobicContact CG2-CB 4.28Å
105A98.9Very high98.2Very high0 Ų032.5 Ų32.50%017%0.174CC..Hα-helixtrans-61.5-43174.400000111.8R101 F102 S107 L108 E109 L155 V164R101-A105 PolarHBondContact O-N 3.48Å; F102-A105 WeakPolarHBondContact O-CA 3.36Å; F102-A105 WeakPolarHBondContact O-CB 3.39Å; F102-A105 PolarHBondContact O-N 2.78Å; A105-S107 PolarHBondContact O-N 3.18Å; A105-L108 PolarHBondContact O-N 3.25Å; A105-E109 PolarHBondContact O-N 3.29Å; A105-L155 HydrophobicContact CB-CB 4.39Å; A105-L155 HydrophobicContact CB-CD2 4.2Å; A105-V164 HydrophobicContact CB-CG2 3.95Å
106V98.9Very high98.6Very high0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-57.6-47.2172.7175.70000110.5F102 L103 L108 E109 H110 M113 L114 V117 M147 L155F102-V106 HydrophobicContact CD1-CG2 4.06Å; F102-V106 HydrophobicContact CE1-CG2 3.78Å; F102-V106 HydrophobicContact CZ-CG2 4.21Å; F102-V106 WeakPolarHBondContact O-CG2 3.4Å; F102-V106 PolarHBondContact O-N 2.82Å; L103-V106 PolarHBondContact O-N 2.64Å; V106-L108 PolarHBondContact O-N 3.02Å; V106-E109 PolarHBondContact O-N 3.21Å; V106-H110 HydrophobicContact CG1-CB 4.47Å; V106-H110 WeakPolarHBondContact CG1-O 3.36Å; V106-H110 CarbonylContact O-C 3.49Å; V106-H110 VanDerWaalsContact O-CA 3.31Å; V106-H110 WeakPolarHBondContact O-CA 3.28Å; V106-H110 PolarHBondContact O-N 2.88Å; V106-M113 HydrophobicContact CG1-CB 4.1Å; V106-L114 HydrophobicContact CB-CD1 4.46Å; V106-L114 HydrophobicContact CG1-CB 4.19Å; V106-L114 HydrophobicContact CG1-CD1 4.27Å; V106-V117 HydrophobicContact CG2-CG1 4.39Å; V106-M147 HydrophobicContact CG2-SD 4.44Å; V106-L155 HydrophobicContact CB-CD1 4.36Å; V106-L155 HydrophobicContact CG2-CD1 3.61Å
107S98.7Very high98.7Very high34 Ų3436.7 Ų36.724%0.23819%0.187CC..Hα-helixtrans-61.8-28.1179.875.70000114.2L103 T104 A105L103-S107 WeakPolarHBondContact O-CB 3.4Å; L103-S107 PolarHBondContact O-N 2.86Å; T104-S107 PolarHBondContact O-N 2.96Å; T104-S107 PolarHBondContact O-OG 3.04Å; A105-S107 PolarHBondContact O-N 3.18Å
108L98.6Very high98.7Very high56 Ų5633.2 Ų33.229%0.29317%0.168SC..Hα-helixtrans-83.5-28.5-177.4-74.2172.5000113.4T104 A105 V106 K163 V164 Q167T104-L108 HydrophobicContact CG2-CD1 4.39Å; T104-L108 WeakPolarHBondContact O-CG 3.2Å; T104-L108 PolarHBondContact O-N 3.45Å; T104-L108 VanDerWaalsContact O-N 3.14Å; A105-L108 PolarHBondContact O-N 3.25Å; V106-L108 PolarHBondContact O-N 3.02Å; L108-K163 HydrophobicContact CD1-CG 4.38Å; L108-V164 HydrophobicContact CD1-CG2 4.38Å; L108-Q167 HydrophobicContact CD1-CB 4.17Å; L108-Q167 HydrophobicContact CD1-CG 4.15Å; L108-Q167 HydrophobicContact CD2-CG 4.03Å; L108-Q167 HydrophobicContact CG-CG 4.23Å
109E98.6Very high98.8Very high75 Ų7534 Ų3435%0.3517%0.165SC..Hα-helixtrans-124-30.1-170.1-62.7-171.4-160.800113.8A105 V106 L155 K158A105-E109 PolarHBondContact O-N 3.29Å; V106-E109 PolarHBondContact O-N 3.21Å; E109-L155 HydrophobicContact CB-CD2 4.07Å; E109-L155 HydrophobicContact CG-CD2 4.39Å; E109-K158 VanDerWaalsContact OE1-CD 3.22Å; E109-K158 WeakPolarHBondContact OE1-CD 3.4Å; E109-K158 IonicContact OE1-NZ 3.69Å; E109-K158 PolarHBondContact OE1-NZ 3.42Å; E109-K158 IonicContact OE2-NZ 2.75Å; E109-K158 PolarHBondContact OE2-NZ 3.03Å
110H98.5Very high98.8Very high40 Ų4035.4 Ų35.419%0.18517%0.172CC..  trans-136.557.2-177.9-66.4-73.9000111.2V106 E112 M113V106-H110 HydrophobicContact CG1-CB 4.47Å; V106-H110 WeakPolarHBondContact CG1-O 3.36Å; V106-H110 CarbonylContact O-C 3.49Å; V106-H110 VanDerWaalsContact O-CA 3.31Å; V106-H110 WeakPolarHBondContact O-CA 3.28Å; V106-H110 PolarHBondContact O-N 2.88Å; H110-E112 WeakPolarHBondContact CA-OE2 3.44Å; H110-E112 IonicContact CG-OE1 3.72Å; H110-E112 IonicContact ND1-OE1 3.82Å; H110-E112 PolarHBondContact ND1-OE1 3.39Å; H110-E112 PolarHBondContact O-N 2.91Å; H110-E112 VanDerWaalsContact O-N 3.12Å; H110-M113 HydrophobicContact CB-CB 4.35Å; H110-M113 HydrophobicContact CB-CG 4.36Å; H110-M113 PolarHBondContact O-N 3.08Å
111P98.2Very high98.8Very high80 Ų8035.4 Ų35.452%0.51917%0.172SC..G310 helixtrans-57.7-27.6-175.524.8-35.1000113.4M113 L114P111-M113 PolarHBondContact O-N 3.04Å; P111-L114 VanDerWaalsContact O-CB 3.24Å; P111-L114 WeakPolarHBondContact O-CB 3.31Å; P111-L114 PolarHBondContact O-N 3.49Å; P111-L114 VanDerWaalsContact O-N 3.17Å
112E98.3Very high98.8Very high121 Ų12132.8 Ų32.857%0.56516%0.162SC*.G310 helixtrans-62.9-23.6174.872.5-71.3169.700113.8H110H110-E112 WeakPolarHBondContact CA-OE2 3.44Å; H110-E112 IonicContact CG-OE1 3.72Å; H110-E112 IonicContact ND1-OE1 3.82Å; H110-E112 PolarHBondContact ND1-OE1 3.39Å; H110-E112 PolarHBondContact O-N 2.91Å; H110-E112 VanDerWaalsContact O-N 3.12Å
113M98.8Very high98.7Very high25 Ų2534.6 Ų34.612%0.12317%0.171CC..G310 helixtrans-92.4-11.9178.1-65.2-57.2-74.100112.9V106 H110 P111 E115 K116 V117 A145 M147V106-M113 HydrophobicContact CG1-CB 4.1Å; H110-M113 HydrophobicContact CB-CB 4.35Å; H110-M113 HydrophobicContact CB-CG 4.36Å; H110-M113 PolarHBondContact O-N 3.08Å; P111-M113 PolarHBondContact O-N 3.04Å; M113-E115 VanDerWaalsContact C-N 3.31Å; M113-E115 PolarHBondContact O-N 3.4Å; M113-K116 PolarHBondContact O-N 3.36Å; M113-V117 HydrophobicContact CB-CG2 4.18Å; M113-V117 VanDerWaalsContact O-CG2 3.31Å; M113-V117 WeakPolarHBondContact O-CG2 3.43Å; M113-V117 PolarHBondContact O-N 3.34Å; M113-A145 VanDerWaalsContact CE-O 3.28Å; M113-A145 WeakPolarHBondContact CE-O 3.48Å; M113-M147 HydrophobicContact CB-CG 4.45Å; M113-M147 HydrophobicContact CE-CB 4.45Å; M113-M147 HydrophobicContact CE-CG 3.54Å; M113-M147 HydrophobicContact CG-CG 4.27Å
114L98.9Very high98.7Very high9 Ų936.1 Ų36.15%0.04718%0.177CC..Hα-helixtrans-57.6-43-171.3-176.959.1000112.5L39 P41 L103 V106 P111 S118L39-L114 HydrophobicContact CB-CD2 3.65Å; L39-L114 HydrophobicContact CB-CG 4.27Å; L39-L114 HydrophobicContact CD1-CD2 4.33Å; L39-L114 HydrophobicContact CD1-CG 4.18Å; P41-L114 HydrophobicContact CG-CD1 3.95Å; P41-L114 HydrophobicContact CG-CD2 4.38Å; L103-L114 HydrophobicContact CB-CD1 4.26Å; L103-L114 HydrophobicContact CD2-CD1 4.05Å; L103-L114 WeakPolarHBondContact O-CD1 3.31Å; V106-L114 HydrophobicContact CB-CD1 4.46Å; V106-L114 HydrophobicContact CG1-CB 4.19Å; V106-L114 HydrophobicContact CG1-CD1 4.27Å; P111-L114 VanDerWaalsContact O-CB 3.24Å; P111-L114 WeakPolarHBondContact O-CB 3.31Å; P111-L114 PolarHBondContact O-N 3.49Å; P111-L114 VanDerWaalsContact O-N 3.17Å; L114-S118 VanDerWaalsContact O-CB 3.26Å; L114-S118 WeakPolarHBondContact O-CB 3.39Å; L114-S118 PolarHBondContact O-N 3.37Å; L114-S118 PolarHBondContact O-OG 2.71Å
115E98.9Very high98.6Very high49 Ų4936.3 Ų36.323%0.22918%0.177CC..Hα-helixtrans-60.5-52178.7-166.6-167.1118.500111.2F23 C27 Q30 L39 M113 S118 R119F23-E115 HydrophobicContact CE1-CG 4.27Å; F23-E115 HydrophobicContact CE2-CG 4.08Å; F23-E115 HydrophobicContact CZ-CB 4.31Å; F23-E115 HydrophobicContact CZ-CG 3.43Å; F23-E115 VanDerWaalsContact CZ-CG 3.43Å; F23-E115 WeakPolarHBondContact CZ-O 3.47Å; C27-E115 VanDerWaalsContact SG-CG 3.6Å; C27-E115 PolarHBondContact SG-OE2 3.03Å; Q30-E115 PolarHBondContact NE2-OE2 3.07Å; L39-E115 HydrophobicContact CD1-CB 4.1Å; L39-E115 HydrophobicContact CD1-CG 4.45Å; M113-E115 VanDerWaalsContact C-N 3.31Å; M113-E115 PolarHBondContact O-N 3.4Å; E115-S118 PolarHBondContact O-N 3.33Å; E115-R119 WeakPolarHBondContact O-CB 3.39Å; E115-R119 PolarHBondContact O-N 2.69Å; E115-R119 IonicContact OE1-CZ 3.81Å; E115-R119 VanDerWaalsContact OE1-CZ 3.3Å; E115-R119 IonicContact OE1-NH1 3.83Å; E115-R119 PolarHBondContact OE1-NH1 2.93Å; E115-R119 IonicContact OE1-NH2 2.6Å; E115-R119 PolarHBondContact OE1-NH2 2.94Å
116K98.9Very high98.5Very high113 Ų11336.3 Ų36.349%0.49118%0.178SC..Hα-helixtrans-66.8-43.9-175.7-64.4-178.9-178.1173.20112.1M113 R119 E120 A145M113-K116 PolarHBondContact O-N 3.36Å; K116-R119 PolarHBondContact O-N 3.37Å; K116-E120 PolarHBondContact O-N 3.38Å; K116-A145 HydrophobicContact CB-CB 3.83Å; K116-A145 WeakPolarHBondContact CD-O 3.46Å
117V98.9Very high98.4Very high0 Ų037 Ų370%018%0.183CC..Hα-helixtrans-65.4-41.3179178.60000111F102 L103 V106 M113 R119 E120 L121 A145 M147F102-V117 HydrophobicContact CD1-CG1 4.09Å; F102-V117 HydrophobicContact CE1-CG1 3.74Å; L103-V117 HydrophobicContact CD2-CB 4.11Å; L103-V117 HydrophobicContact CD2-CG1 3.66Å; V106-V117 HydrophobicContact CG2-CG1 4.39Å; M113-V117 HydrophobicContact CB-CG2 4.18Å; M113-V117 VanDerWaalsContact O-CG2 3.31Å; M113-V117 WeakPolarHBondContact O-CG2 3.43Å; M113-V117 PolarHBondContact O-N 3.34Å; V117-R119 PolarHBondContact O-N 3.16Å; V117-E120 PolarHBondContact O-N 3.47Å; V117-L121 HydrophobicContact CG1-CD1 4.34Å; V117-L121 WeakPolarHBondContact O-CG 3.44Å; V117-L121 PolarHBondContact O-N 3.37Å; V117-A145 HydrophobicContact CB-CB 4.36Å; V117-A145 HydrophobicContact CG2-CB 3.79Å; V117-M147 HydrophobicContact CG2-CG 4.27Å; V117-M147 HydrophobicContact CG2-SD 3.84Å
118S98.9Very high98.3Very high0 Ų038.8 Ų38.80%018%0.184CC..Hα-helixtrans-60.1-47.1175.4-57.30000111.2Y12 L103 L114 E115 E120 L121 W122Y12-S118 PolarHBondContact OH-OG 3.49Å; L103-S118 WeakPolarHBondContact CD2-OG 3.32Å; L114-S118 VanDerWaalsContact O-CB 3.26Å; L114-S118 WeakPolarHBondContact O-CB 3.39Å; L114-S118 PolarHBondContact O-N 3.37Å; L114-S118 PolarHBondContact O-OG 2.71Å; E115-S118 PolarHBondContact O-N 3.33Å; S118-E120 PolarHBondContact O-N 3.49Å; S118-L121 PolarHBondContact O-N 2.94Å; S118-W122 PolarHBondContact O-N 3.38Å
119R98.9Very high98.1Very high55 Ų5539.5 Ų39.521%0.20819%0.188CC..Hα-helixtrans-57.8-45.8176.2-174.1175.2-68.4109.8-3.6112F23 E24 E115 K116 V117 L121 W122 M123F23-R119 HydrophobicContact CE1-CB 4.28Å; E24-R119 VanDerWaalsContact CD-NE 3.35Å; E24-R119 WeakPolarHBondContact OE1-CD 3.3Å; E24-R119 WeakPolarHBondContact OE1-CG 3.37Å; E24-R119 IonicContact OE1-CZ 2.71Å; E24-R119 IonicContact OE1-NE 3.71Å; E24-R119 PolarHBondContact OE1-NE 3.33Å; E24-R119 IonicContact OE1-NH2 3.3Å; E24-R119 IonicContact OE2-CZ 3.26Å; E24-R119 IonicContact OE2-NE 3.4Å; E24-R119 PolarHBondContact OE2-NE 2.77Å; E24-R119 VanDerWaalsContact OE2-NE 3.14Å; E24-R119 IonicContact OE2-NH2 3.79Å; E24-R119 PolarHBondContact OE2-NH2 2.71Å; E115-R119 WeakPolarHBondContact O-CB 3.39Å; E115-R119 PolarHBondContact O-N 2.69Å; E115-R119 IonicContact OE1-CZ 3.81Å; E115-R119 VanDerWaalsContact OE1-CZ 3.3Å; E115-R119 IonicContact OE1-NH1 3.83Å; E115-R119 PolarHBondContact OE1-NH1 2.93Å; E115-R119 IonicContact OE1-NH2 2.6Å; E115-R119 PolarHBondContact OE1-NH2 2.94Å; K116-R119 PolarHBondContact O-N 3.37Å; V117-R119 PolarHBondContact O-N 3.16Å; R119-L121 PolarHBondContact O-N 3.06Å; R119-W122 PolarHBondContact O-N 3.16Å; R119-M123 HydrophobicContact CG-CG 4.44Å; R119-M123 WeakPolarHBondContact O-CB 3.43Å; R119-M123 VanDerWaalsContact O-CG 3.23Å; R119-M123 WeakPolarHBondContact O-CG 3.46Å; R119-M123 PolarHBondContact O-N 3.36Å
120E98.9Very high98Very high30 Ų3039.3 Ų39.314%0.1419%0.187CC..Hα-helixtrans-67-34.6179.3-81.2-56.7149.500113.4K116 V117 S118 M123 R124 R128 A141 K144 A145K116-E120 PolarHBondContact O-N 3.38Å; V117-E120 PolarHBondContact O-N 3.47Å; S118-E120 PolarHBondContact O-N 3.49Å; E120-M123 WeakPolarHBondContact O-CB 3.35Å; E120-M123 PolarHBondContact O-N 3.33Å; E120-R124 WeakPolarHBondContact O-CG 3.44Å; E120-R124 PolarHBondContact O-N 3.36Å; E120-R128 IonicContact OE2-CZ 2.82Å; E120-R128 IonicContact OE2-NH1 3.82Å; E120-R128 IonicContact OE2-NH2 3.14Å; E120-R128 PolarHBondContact OE2-NH2 3.46Å; E120-A141 HydrophobicContact CB-CB 4.08Å; E120-A141 WeakPolarHBondContact CB-O 3.45Å; E120-K144 HydrophobicContact CG-CB 4.21Å; E120-K144 HydrophobicContact CG-CG 4.16Å; E120-K144 WeakPolarHBondContact OE2-CD 3.35Å; E120-A145 HydrophobicContact CB-CB 4.4Å; E120-A145 HydrophobicContact CG-CB 4.07Å
121L98.8Very high97.8Very high1 Ų139.3 Ų39.31%0.00519%0.189CC..Hα-helixtrans-64.2-44.5172.3-73.9169.1000111.7V14 A99 L103 V117 S118 R119 M123 R124 V125 I132 A141V14-L121 HydrophobicContact CB-CB 4.31Å; V14-L121 HydrophobicContact CG1-CB 3.94Å; V14-L121 HydrophobicContact CG1-CD1 4.43Å; V14-L121 HydrophobicContact CG2-CB 4.44Å; A99-L121 HydrophobicContact CB-CD1 4.19Å; A99-L121 HydrophobicContact CB-CD2 4.33Å; L103-L121 HydrophobicContact CD1-CD1 3.88Å; L103-L121 HydrophobicContact CD2-CD1 3.82Å; L103-L121 HydrophobicContact CG-CD1 3.69Å; V117-L121 HydrophobicContact CG1-CD1 4.34Å; V117-L121 WeakPolarHBondContact O-CG 3.44Å; V117-L121 PolarHBondContact O-N 3.37Å; S118-L121 PolarHBondContact O-N 2.94Å; R119-L121 PolarHBondContact O-N 3.06Å; L121-M123 VanDerWaalsContact C-N 3.33Å; L121-M123 PolarHBondContact O-N 3.19Å; L121-R124 WeakPolarHBondContact O-CB 3.38Å; L121-R124 PolarHBondContact O-N 3.03Å; L121-V125 VanDerWaalsContact O-CG1 3.23Å; L121-V125 WeakPolarHBondContact O-CG1 3.31Å; L121-V125 PolarHBondContact O-N 3.38Å; L121-I132 HydrophobicContact CD2-CB 4.31Å; L121-I132 HydrophobicContact CD2-CG2 4.07Å; L121-A141 HydrophobicContact CD2-CB 3.76Å; L121-A141 HydrophobicContact CG-CB 4.04Å
122W98.7Very high97.7Very high0 Ų035.8 Ų35.80%017%0.165CC..Hα-helixtrans-60.6-42.3171.8-85.8-62.6000112Y12 V14 S16 W20 F23 S118 R119 R124 V125 W126Y12-W122 AromaticContact CD2-CH2 3.13Å; Y12-W122 HydrophobicContact CD2-CH2 3.13Å; Y12-W122 AromaticContact CD2-CZ2 3.49Å; Y12-W122 HydrophobicContact CD2-CZ2 3.49Å; Y12-W122 VanDerWaalsContact CD2-CZ2 3.49Å; Y12-W122 HydrophobicContact CD2-CZ3 4.04Å; Y12-W122 AromaticContact CE2-CH2 3.62Å; Y12-W122 HydrophobicContact CE2-CH2 3.62Å; Y12-W122 HydrophobicContact CE2-CZ2 4.26Å; Y12-W122 HydrophobicContact CE2-CZ3 4.07Å; Y12-W122 AromaticContact CG-CH2 3.75Å; Y12-W122 HydrophobicContact CG-CH2 3.75Å; Y12-W122 HydrophobicContact CG-CZ2 4.15Å; V14-W122 HydrophobicContact CB-CG 4.5Å; V14-W122 HydrophobicContact CG1-CD2 4.18Å; V14-W122 PolarHBondContact O-NE1 3.48Å; S16-W122 PolarHBondContact O-NE1 3.49Å; S16-W122 VanDerWaalsContact O-NE1 3.13Å; W20-W122 HydrophobicContact CB-CB 4.41Å; W20-W122 HydrophobicContact CB-CD2 3.73Å; W20-W122 HydrophobicContact CB-CE3 4.42Å; W20-W122 HydrophobicContact CB-CG 3.71Å; W20-W122 HydrophobicContact CB-CZ2 4.3Å; W20-W122 AromaticContact CD1-CD2 3.74Å; W20-W122 AromaticContact CD1-CE3 3.68Å; W20-W122 AromaticContact CD1-CG 3.9Å; W20-W122 HydrophobicContact CD2-CB 3.56Å; W20-W122 HydrophobicContact CD2-CD2 4.47Å; W20-W122 AromaticContact CD2-CG 3.86Å; W20-W122 HydrophobicContact CD2-CG 3.86Å; W20-W122 HydrophobicContact CE3-CB 3.93Å; W20-W122 HydrophobicContact CE3-CG 4.34Å; W20-W122 HydrophobicContact CG-CB 3.76Å; W20-W122 AromaticContact CG-CD1 3.84Å; W20-W122 AromaticContact CG-CD2 3.7Å; W20-W122 HydrophobicContact CG-CD2 3.7Å; W20-W122 HydrophobicContact CG-CE3 4.13Å; W20-W122 AromaticContact CG-CG 3.53Å; W20-W122 HydrophobicContact CG-CG 3.53Å; W20-W122 HydrophobicContact CZ2-CB 4.36Å; W20-W122 HydrophobicContact CZ3-CB 4.46Å; F23-W122 HydrophobicContact CB-CH2 3.68Å; F23-W122 HydrophobicContact CB-CZ3 3.86Å; F23-W122 HydrophobicContact CD1-CE3 4.16Å; F23-W122 HydrophobicContact CD1-CH2 4.26Å; F23-W122 AromaticContact CD1-CZ3 3.55Å; F23-W122 HydrophobicContact CD1-CZ3 3.55Å; F23-W122 AromaticContact CD2-CH2 3.87Å; F23-W122 HydrophobicContact CD2-CH2 3.87Å; F23-W122 AromaticContact CD2-CZ3 3.64Å; F23-W122 HydrophobicContact CD2-CZ3 3.64Å; F23-W122 HydrophobicContact CE1-CE3 4.38Å; F23-W122 AromaticContact CE1-CZ3 3.89Å; F23-W122 HydrophobicContact CE1-CZ3 3.89Å; F23-W122 AromaticContact CE2-CZ3 3.96Å; F23-W122 HydrophobicContact CE2-CZ3 3.96Å; F23-W122 HydrophobicContact CG-CE3 4.4Å; F23-W122 AromaticContact CG-CH2 3.69Å; F23-W122 HydrophobicContact CG-CH2 3.69Å; F23-W122 AromaticContact CG-CZ3 3.4Å; F23-W122 HydrophobicContact CG-CZ3 3.4Å; F23-W122 VanDerWaalsContact CG-CZ3 3.4Å; F23-W122 HydrophobicContact CZ-CZ3 4.07Å; S118-W122 PolarHBondContact O-N 3.38Å; R119-W122 PolarHBondContact O-N 3.16Å; W122-R124 PolarHBondContact O-N 2.84Å; W122-V125 PolarHBondContact O-N 3.5Å; W122-W126 AromaticContact CD1-CD1 3.48Å; W122-W126 VanDerWaalsContact CD1-CD1 3.48Å; W122-W126 WeakPolarHBondContact O-CA 3.17Å; W122-W126 WeakPolarHBondContact O-CB 3.48Å; W122-W126 PolarHBondContact O-N 3.06Å
123M98.7Very high97.6Very high38 Ų3831.4 Ų31.419%0.18715%0.147CC..Hα-helixtrans-60.2-34.4177.1-73.5-68.9-63.500112.4W20 P80 R119 E120 L121 S127 R128W20-M123 HydrophobicContact CH2-CG 4.35Å; W20-M123 HydrophobicContact CH2-SD 3.56Å; W20-M123 VanDerWaalsContact CH2-SD 3.56Å; W20-M123 HydrophobicContact CZ2-CG 4.08Å; W20-M123 HydrophobicContact CZ2-SD 3.54Å; W20-M123 VanDerWaalsContact CZ2-SD 3.54Å; P80-M123 HydrophobicContact CG-CE 3.92Å; P80-M123 HydrophobicContact CG-SD 3.59Å; P80-M123 VanDerWaalsContact CG-SD 3.59Å; R119-M123 HydrophobicContact CG-CG 4.44Å; R119-M123 WeakPolarHBondContact O-CB 3.43Å; R119-M123 VanDerWaalsContact O-CG 3.23Å; R119-M123 WeakPolarHBondContact O-CG 3.46Å; R119-M123 PolarHBondContact O-N 3.36Å; E120-M123 WeakPolarHBondContact O-CB 3.35Å; E120-M123 PolarHBondContact O-N 3.33Å; L121-M123 VanDerWaalsContact C-N 3.33Å; L121-M123 PolarHBondContact O-N 3.19Å; M123-S127 WeakPolarHBondContact O-CA 3.43Å; M123-S127 WeakPolarHBondContact O-CB 3.45Å; M123-S127 PolarHBondContact O-N 3.31Å; M123-R128 PolarHBondContact O-N 3.38Å
124R97.8Very high97.5Very high32 Ų3234.5 Ų34.512%0.12116%0.161CC..Iπ-helixtrans-63.9-64.7173.3-69.9-176.366.279.8-2110.8E120 L121 W122 R128 D129 E130 D131 I132 S137E120-R124 WeakPolarHBondContact O-CG 3.44Å; E120-R124 PolarHBondContact O-N 3.36Å; L121-R124 WeakPolarHBondContact O-CB 3.38Å; L121-R124 PolarHBondContact O-N 3.03Å; W122-R124 PolarHBondContact O-N 2.84Å; R124-R128 CarbonylContact O-C 3.57Å; R124-R128 PolarHBondContact O-N 3.22Å; R124-D129 PolarHBondContact O-N 3.12Å; R124-E130 HydrophobicContact CB-CB 3.95Å; R124-E130 HydrophobicContact CG-CB 4.43Å; R124-E130 WeakPolarHBondContact CG-OE2 3.32Å; R124-E130 IonicContact CZ-OE2 3.78Å; R124-E130 IonicContact NH1-OE2 3.33Å; R124-E130 PolarHBondContact NH1-OE2 3.44Å; R124-E130 PolarHBondContact O-N 3.31Å; R124-D131 VanDerWaalsContact CZ-O 3.3Å; R124-D131 PolarHBondContact NE-O 3.44Å; R124-D131 PolarHBondContact NH2-O 3.38Å; R124-I132 HydrophobicContact CB-CG2 3.72Å; R124-S137 WeakPolarHBondContact CD-O 3.39Å; R124-S137 PolarHBondContact NE-O 3.06Å; R124-S137 VanDerWaalsContact NH2-CB 3.32Å; R124-S137 PolarHBondContact NH2-OG 3.45Å; R124-S137 VanDerWaalsContact NH2-OG 3.16Å
125V96.4Very high97.5Very high4 Ų437.4 Ų37.42%0.02418%0.18CC..Iπ-helixtrans-73.2-37.1-17151.60000113.8V90 L121 W122 E130 I132V90-V125 HydrophobicContact CG1-CG2 3.61Å; L121-V125 VanDerWaalsContact O-CG1 3.23Å; L121-V125 WeakPolarHBondContact O-CG1 3.31Å; L121-V125 PolarHBondContact O-N 3.38Å; W122-V125 PolarHBondContact O-N 3.5Å; V125-E130 WeakPolarHBondContact CA-O 3.23Å; V125-I132 HydrophobicContact CB-CD1 4.18Å; V125-I132 HydrophobicContact CB-CG1 4.31Å; V125-I132 HydrophobicContact CB-CG2 4.04Å; V125-I132 HydrophobicContact CG1-CD1 3.95Å; V125-I132 HydrophobicContact CG1-CG2 4.16Å
126W96.9Very high97.4Very high1 Ų140.8 Ų40.80%0.00420%0.196CC..Iπ-helixtrans-109.43.7-171.9-65.199.4000114.4V14 L15 P17 W20 I81 Q82 P84 F87 I91 W122V14-W126 VanDerWaalsContact O-CD1 3.3Å; V14-W126 PolarHBondContact O-NE1 3.3Å; L15-W126 WeakPolarHBondContact O-CZ2 3.27Å; P17-W126 HydrophobicContact CB-CD2 3.94Å; P17-W126 HydrophobicContact CB-CE3 3.74Å; P17-W126 HydrophobicContact CB-CH2 4.19Å; P17-W126 HydrophobicContact CB-CZ2 4.35Å; P17-W126 HydrophobicContact CB-CZ3 3.84Å; P17-W126 HydrophobicContact CG-CE3 4.32Å; P17-W126 HydrophobicContact CG-CH2 3.9Å; P17-W126 HydrophobicContact CG-CZ2 4.22Å; P17-W126 HydrophobicContact CG-CZ3 3.91Å; W20-W126 HydrophobicContact CE3-CB 3.76Å; W20-W126 HydrophobicContact CZ3-CB 3.7Å; I81-W126 CarbonylContact C-O 3.52Å; I81-W126 WeakPolarHBondContact CA-O 3.36Å; I81-W126 HydrophobicContact CG1-CB 4.18Å; Q82-W126 PolarHBondContact N-O 2.93Å; Q82-W126 VanDerWaalsContact O-O 3.12Å; P84-W126 HydrophobicContact CG-CE3 3.91Å; P84-W126 HydrophobicContact CG-CH2 4.19Å; P84-W126 HydrophobicContact CG-CZ3 3.71Å; F87-W126 AromaticContact CD2-CH2 3.7Å; F87-W126 HydrophobicContact CD2-CH2 3.7Å; F87-W126 AromaticContact CD2-CZ3 3.97Å; F87-W126 HydrophobicContact CD2-CZ3 3.97Å; F87-W126 AromaticContact CE2-CH2 3.59Å; F87-W126 HydrophobicContact CE2-CH2 3.59Å; F87-W126 HydrophobicContact CE2-CZ3 4.03Å; I91-W126 HydrophobicContact CD1-CH2 4.2Å; W122-W126 AromaticContact CD1-CD1 3.48Å; W122-W126 VanDerWaalsContact CD1-CD1 3.48Å; W122-W126 WeakPolarHBondContact O-CA 3.17Å; W122-W126 WeakPolarHBondContact O-CB 3.48Å; W122-W126 PolarHBondContact O-N 3.06Å
127S97.4Very high97.4Very high15 Ų1535.8 Ų35.811%0.10518%0.176CC..Iπ-helixtrans-126.3-41.4173.7-164.30000112.2P80 Q82 M123P80-S127 VanDerWaalsContact O-CB 3.29Å; P80-S127 WeakPolarHBondContact O-CB 3.46Å; P80-S127 PolarHBondContact O-OG 2.96Å; Q82-S127 PolarHBondContact NE2-O 3.39Å; M123-S127 WeakPolarHBondContact O-CA 3.43Å; M123-S127 WeakPolarHBondContact O-CB 3.45Å; M123-S127 PolarHBondContact O-N 3.31Å
128R96.8Very high97.4Very high70 Ų7035.9 Ų35.926%0.26418%0.176SC..Iπ-helixtrans-106.6-3-175.5-62.8-177.7-70.5-97.32.2114.1E120 M123 R124 E130E120-R128 IonicContact OE2-CZ 2.82Å; E120-R128 IonicContact OE2-NH1 3.82Å; E120-R128 IonicContact OE2-NH2 3.14Å; E120-R128 PolarHBondContact OE2-NH2 3.46Å; M123-R128 PolarHBondContact O-N 3.38Å; R124-R128 CarbonylContact O-C 3.57Å; R124-R128 PolarHBondContact O-N 3.22Å; R128-E130 HydrophobicContact CB-CB 4.41Å; R128-E130 VanDerWaalsContact CB-CD 3.48Å; R128-E130 HydrophobicContact CB-CG 3.67Å; R128-E130 IonicContact CZ-OE2 2.85Å; R128-E130 IonicContact NE-OE1 3.75Å; R128-E130 IonicContact NE-OE2 2.8Å; R128-E130 PolarHBondContact NE-OE2 3.13Å; R128-E130 IonicContact NH2-OE2 2.78Å; R128-E130 PolarHBondContact O-N 2.92Å
129D95.1Very high97.4Very high71 Ų7137 Ų3738%0.3818%0.182SC..  trans55.238.7-176-158.517.8000111.8P84 K85 R124P84-D129 WeakPolarHBondContact CB-OD1 3.35Å; K85-D129 WeakPolarHBondContact CG-OD2 3.18Å; K85-D129 PolarHBondContact N-OD2 3.44Å; R124-D129 PolarHBondContact O-N 3.12Å
130E95.2Very high97.4Very high72 Ų7236.5 Ų36.534%0.33619%0.189SC..  trans-100.4150.6-177.8-70170.7163.900111.6R124 V125 R128R124-E130 HydrophobicContact CB-CB 3.95Å; R124-E130 HydrophobicContact CG-CB 4.43Å; R124-E130 WeakPolarHBondContact CG-OE2 3.32Å; R124-E130 IonicContact CZ-OE2 3.78Å; R124-E130 IonicContact NH1-OE2 3.33Å; R124-E130 PolarHBondContact NH1-OE2 3.44Å; R124-E130 PolarHBondContact O-N 3.31Å; V125-E130 WeakPolarHBondContact CA-O 3.23Å; R128-E130 HydrophobicContact CB-CB 4.41Å; R128-E130 VanDerWaalsContact CB-CD 3.48Å; R128-E130 HydrophobicContact CB-CG 3.67Å; R128-E130 IonicContact CZ-OE2 2.85Å; R128-E130 IonicContact NE-OE1 3.75Å; R128-E130 IonicContact NE-OE2 2.8Å; R128-E130 PolarHBondContact NE-OE2 3.13Å; R128-E130 IonicContact NH2-OE2 2.78Å; R128-E130 PolarHBondContact O-N 2.92Å
131D94.9Very high97.4Very high40 Ų4035.1 Ų35.121%0.21418%0.183CC..  trans-61.8148.3177.4172.7-100.2000112.9R124 T133 Q134 S137R124-D131 VanDerWaalsContact CZ-O 3.3Å; R124-D131 PolarHBondContact NE-O 3.44Å; R124-D131 PolarHBondContact NH2-O 3.38Å; D131-T133 VanDerWaalsContact CG-N 3.32Å; D131-T133 PolarHBondContact OD1-N 3.15Å; D131-T133 WeakPolarHBondContact OD2-CB 3.23Å; D131-T133 PolarHBondContact OD2-N 2.83Å; D131-T133 PolarHBondContact OD2-OG1 2.67Å; D131-Q134 WeakPolarHBondContact OD1-CB 3.44Å; D131-Q134 VanDerWaalsContact OD1-CG 3.29Å; D131-Q134 WeakPolarHBondContact OD1-CG 3.38Å; D131-Q134 PolarHBondContact OD1-N 2.85Å; D131-S137 WeakPolarHBondContact O-CB 3.31Å; D131-S137 PolarHBondContact O-OG 2.96Å; D131-S137 VanDerWaalsContact OD1-CB 3.23Å; D131-S137 WeakPolarHBondContact OD1-CB 3.48Å; D131-S137 PolarHBondContact OD1-OG 3.16Å
132I96.6Very high97.4Very high6 Ų635 Ų353%0.03118%0.183CC..  trans-130.711172.258.6161.8000112.6V14 A99 L121 R124 V125V14-I132 HydrophobicContact CG2-CD1 3.72Å; A99-I132 HydrophobicContact CB-CD1 4.29Å; L121-I132 HydrophobicContact CD2-CB 4.31Å; L121-I132 HydrophobicContact CD2-CG2 4.07Å; R124-I132 HydrophobicContact CB-CG2 3.72Å; V125-I132 HydrophobicContact CB-CD1 4.18Å; V125-I132 HydrophobicContact CB-CG1 4.31Å; V125-I132 HydrophobicContact CB-CG2 4.04Å; V125-I132 HydrophobicContact CG1-CD1 3.95Å; V125-I132 HydrophobicContact CG1-CG2 4.16Å
133T94.9Very high97.4Very high29 Ų2939.6 Ų39.618%0.17820%0.204CC..SBendtrans-97.3-30.3-176.567.40000113K94 D131K94-T133 HydrophobicContact CB-CG2 3.81Å; D131-T133 VanDerWaalsContact CG-N 3.32Å; D131-T133 PolarHBondContact OD1-N 3.15Å; D131-T133 WeakPolarHBondContact OD2-CB 3.23Å; D131-T133 PolarHBondContact OD2-N 2.83Å; D131-T133 PolarHBondContact OD2-OG1 2.67Å
134Q97Very high97.4Very high90 Ų9043.7 Ų43.742%0.42122%0.221SC..SBendtrans-83.2146.4-176.1-57.9-59.1-51.800111.9D131 Q136 S137 I138D131-Q134 WeakPolarHBondContact OD1-CB 3.44Å; D131-Q134 VanDerWaalsContact OD1-CG 3.29Å; D131-Q134 WeakPolarHBondContact OD1-CG 3.38Å; D131-Q134 PolarHBondContact OD1-N 2.85Å; Q134-Q136 VanDerWaalsContact CB-NE2 3.31Å; Q134-Q136 PolarHBondContact O-N 3.03Å; Q134-S137 VanDerWaalsContact O-CB 3.32Å; Q134-S137 WeakPolarHBondContact O-CB 3.46Å; Q134-S137 PolarHBondContact O-N 3.28Å; Q134-I138 PolarHBondContact O-N 2.95Å
135P98.1Very high97.4Very high69 Ų6942.6 Ų42.645%0.44822%0.219SC..Hα-helixtrans-44.5-54.4174.9-34.640.2000113.9S137 I138 L139 L156P135-S137 VanDerWaalsContact C-N 3.27Å; P135-S137 PolarHBondContact O-N 2.88Å; P135-I138 PolarHBondContact O-N 2.83Å; P135-I138 VanDerWaalsContact O-N 3.15Å; P135-L139 WeakPolarHBondContact O-CG 3.5Å; P135-L139 PolarHBondContact O-N 3.02Å; P135-L156 HydrophobicContact CB-CD2 3.86Å
136Q98.1Very high97.5Very high120 Ų12045.2 Ų45.256%0.56125%0.246SC*.Hα-helixtrans-62.8-31.9-178.265.9-80.27.600113.3Q134 A140Q134-Q136 VanDerWaalsContact CB-NE2 3.31Å; Q134-Q136 PolarHBondContact O-N 3.03Å; Q136-A140 WeakPolarHBondContact O-CB 3.44Å; Q136-A140 PolarHBondContact O-N 3.46Å
137S98.2Very high97.6Very high9 Ų945.6 Ų45.66%0.06325%0.248CC..Hα-helixtrans-67.9-40.6177.1-67.80000111.8R124 D131 Q134 P135 A141R124-S137 WeakPolarHBondContact CD-O 3.39Å; R124-S137 PolarHBondContact NE-O 3.06Å; R124-S137 VanDerWaalsContact NH2-CB 3.32Å; R124-S137 PolarHBondContact NH2-OG 3.45Å; R124-S137 VanDerWaalsContact NH2-OG 3.16Å; D131-S137 WeakPolarHBondContact O-CB 3.31Å; D131-S137 PolarHBondContact O-OG 2.96Å; D131-S137 VanDerWaalsContact OD1-CB 3.23Å; D131-S137 WeakPolarHBondContact OD1-CB 3.48Å; D131-S137 PolarHBondContact OD1-OG 3.16Å; Q134-S137 VanDerWaalsContact O-CB 3.32Å; Q134-S137 WeakPolarHBondContact O-CB 3.46Å; Q134-S137 PolarHBondContact O-N 3.28Å; P135-S137 VanDerWaalsContact C-N 3.27Å; P135-S137 PolarHBondContact O-N 2.88Å; S137-A141 PolarHBondContact O-N 3.32Å
138I98.7Very high97.6Very high1 Ų146.9 Ų46.91%0.00526%0.257CS..Hα-helixtrans-70.3-43.6179-64.1171.7000110.1F102 Q134 P135 A140 A141 A142 L156F102-I138 HydrophobicContact CB-CG2 3.8Å; F102-I138 HydrophobicContact CD1-CG2 3.44Å; F102-I138 VanDerWaalsContact CD1-CG2 3.44Å; F102-I138 HydrophobicContact CD2-CG2 3.7Å; F102-I138 HydrophobicContact CE1-CG2 3.86Å; F102-I138 HydrophobicContact CE2-CG2 4.09Å; F102-I138 HydrophobicContact CG-CG2 3.34Å; F102-I138 HydrophobicContact CZ-CG2 4.17Å; Q134-I138 PolarHBondContact O-N 2.95Å; P135-I138 PolarHBondContact O-N 2.83Å; P135-I138 VanDerWaalsContact O-N 3.15Å; I138-A140 PolarHBondContact O-N 3.03Å; I138-A141 WeakPolarHBondContact O-CB 3.43Å; I138-A141 PolarHBondContact O-N 3.34Å; I138-A142 PolarHBondContact O-N 3.22Å; I138-L156 HydrophobicContact CB-CD1 4.23Å; I138-L156 HydrophobicContact CD1-CD1 4.31Å; I138-L156 HydrophobicContact CG2-CD1 3.98Å
139L98.8Very high97.7Very high25 Ų2545.9 Ų45.913%0.13126%0.264CS..Hα-helixtrans-59.9-46.7175.8-65.7172.9000111.7P135 A141 A142 E143 A152 L156P135-L139 WeakPolarHBondContact O-CG 3.5Å; P135-L139 PolarHBondContact O-N 3.02Å; L139-A141 PolarHBondContact O-N 3.49Å; L139-A142 WeakPolarHBondContact O-CB 3.34Å; L139-A142 PolarHBondContact O-N 2.9Å; L139-E143 WeakPolarHBondContact O-CG 3.4Å; L139-E143 PolarHBondContact O-N 3.42Å; L139-A152 HydrophobicContact CD2-CB 3.75Å; L139-L156 HydrophobicContact CD1-CD2 3.93Å; L139-L156 HydrophobicContact CD2-CB 4.11Å; L139-L156 HydrophobicContact CD2-CD2 3.85Å; L139-L156 HydrophobicContact CG-CD2 3.8Å
140A98.8Very high97.8Very high43 Ų4349.4 Ų49.436%0.35528%0.278SS..Hα-helixtrans-58.9-35.3177.300000112.7Q136 I138 K144Q136-A140 WeakPolarHBondContact O-CB 3.44Å; Q136-A140 PolarHBondContact O-N 3.46Å; I138-A140 PolarHBondContact O-N 3.03Å; A140-K144 VanDerWaalsContact O-CB 3.23Å; A140-K144 WeakPolarHBondContact O-CB 3.37Å; A140-K144 PolarHBondContact O-N 2.96Å; A140-K144 VanDerWaalsContact O-N 3.16Å
141A98.8Very high98Very high1 Ų149.9 Ų49.91%0.00828%0.28CS..Hα-helixtrans-67.9-44.2173.700000111.9E120 L121 S137 I138 L139 K144 A145E120-A141 HydrophobicContact CB-CB 4.08Å; E120-A141 WeakPolarHBondContact CB-O 3.45Å; L121-A141 HydrophobicContact CD2-CB 3.76Å; L121-A141 HydrophobicContact CG-CB 4.04Å; S137-A141 PolarHBondContact O-N 3.32Å; I138-A141 WeakPolarHBondContact O-CB 3.43Å; I138-A141 PolarHBondContact O-N 3.34Å; L139-A141 PolarHBondContact O-N 3.49Å; A141-K144 PolarHBondContact O-N 2.89Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.42Å
142A98.8Very high98.2Very high0 Ų048 Ų480%027%0.27CS..Hα-helixtrans-64.8-45-179.500000112.3F102 I138 L139 A145 G146 M147 A152F102-A142 HydrophobicContact CE1-CB 3.8Å; F102-A142 HydrophobicContact CZ-CB 3.71Å; I138-A142 PolarHBondContact O-N 3.22Å; L139-A142 WeakPolarHBondContact O-CB 3.34Å; L139-A142 PolarHBondContact O-N 2.9Å; A142-A145 WeakPolarHBondContact O-CB 3.48Å; A142-A145 PolarHBondContact O-N 3.26Å; A142-G146 PolarHBondContact O-N 3.2Å; A142-M147 HydrophobicContact CB-CB 4.38Å; A142-M147 HydrophobicContact CB-CG 4.43Å; A142-M147 HydrophobicContact CB-SD 3.97Å; A142-M147 WeakPolarHBondContact O-CB 3.19Å; A142-M147 PolarHBondContact O-N 3.48Å; A142-A152 HydrophobicContact CB-CB 3.72Å
143E98.7Very high98.3Very high95 Ų9551.3 Ų51.344%0.44429%0.285SS..Hα-helixtrans-63.6-43.8176.7-71.6175.5-152.400111.3L139 A145 G146 M147L139-E143 WeakPolarHBondContact O-CG 3.4Å; L139-E143 PolarHBondContact O-N 3.42Å; E143-A145 PolarHBondContact O-N 2.89Å; E143-G146 WeakPolarHBondContact O-CA 3.41Å; E143-G146 PolarHBondContact O-N 2.98Å; E143-M147 WeakPolarHBondContact CA-O 3.28Å
144K98.7Very high98.4Very high125 Ų12551.1 Ų51.154%0.54329%0.289SS..Hα-helixtrans-64.2-29.2175.7-171.5166.5176174.40112.9E120 A140 A141 G146E120-K144 HydrophobicContact CG-CB 4.21Å; E120-K144 HydrophobicContact CG-CG 4.16Å; E120-K144 WeakPolarHBondContact OE2-CD 3.35Å; A140-K144 VanDerWaalsContact O-CB 3.23Å; A140-K144 WeakPolarHBondContact O-CB 3.37Å; A140-K144 PolarHBondContact O-N 2.96Å; A140-K144 VanDerWaalsContact O-N 3.16Å; A141-K144 PolarHBondContact O-N 2.89Å; K144-G146 PolarHBondContact O-N 2.84Å
145A98.6Very high98.5Very high9 Ų947 Ų477%0.07427%0.27CS..THydrogen-bonded Turntrans-73.7-10.2171.800000113.3M113 K116 V117 E120 A141 A142 E143M113-A145 VanDerWaalsContact CE-O 3.28Å; M113-A145 WeakPolarHBondContact CE-O 3.48Å; K116-A145 HydrophobicContact CB-CB 3.83Å; K116-A145 WeakPolarHBondContact CD-O 3.46Å; V117-A145 HydrophobicContact CB-CB 4.36Å; V117-A145 HydrophobicContact CG2-CB 3.79Å; E120-A145 HydrophobicContact CB-CB 4.4Å; E120-A145 HydrophobicContact CG-CB 4.07Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.42Å; A142-A145 WeakPolarHBondContact O-CB 3.48Å; A142-A145 PolarHBondContact O-N 3.26Å; E143-A145 PolarHBondContact O-N 2.89Å
146G98.6Very high98.5Very high59 Ų5944.5 Ų44.561%0.60825%0.253SS*.THydrogen-bonded Turntrans104.411.8175.800000115.1A142 E143 K144A142-G146 PolarHBondContact O-N 3.2Å; E143-G146 WeakPolarHBondContact O-CA 3.41Å; E143-G146 PolarHBondContact O-N 2.98Å; K144-G146 PolarHBondContact O-N 2.84Å
147M98.6Very high98.6Very high9 Ų945.1 Ų45.14%0.04426%0.256CS..  trans-74.9148171.4-62.2-168.771.200110.6V106 M113 V117 A142 E143 Q151 A152 L155V106-M147 HydrophobicContact CG2-SD 4.44Å; M113-M147 HydrophobicContact CB-CG 4.45Å; M113-M147 HydrophobicContact CE-CB 4.45Å; M113-M147 HydrophobicContact CE-CG 3.54Å; M113-M147 HydrophobicContact CG-CG 4.27Å; V117-M147 HydrophobicContact CG2-CG 4.27Å; V117-M147 HydrophobicContact CG2-SD 3.84Å; A142-M147 HydrophobicContact CB-CB 4.38Å; A142-M147 HydrophobicContact CB-CG 4.43Å; A142-M147 HydrophobicContact CB-SD 3.97Å; A142-M147 WeakPolarHBondContact O-CB 3.19Å; A142-M147 PolarHBondContact O-N 3.48Å; E143-M147 WeakPolarHBondContact CA-O 3.28Å; M147-Q151 HydrophobicContact CE-CB 3.82Å; M147-A152 HydrophobicContact CB-CB 4.38Å; M147-L155 HydrophobicContact CE-CD1 3.39Å; M147-L155 HydrophobicContact CE-CG 4.39Å; M147-L155 HydrophobicContact SD-CD1 4.29Å
148S98.6Very high98.6Very high42 Ų4248 Ų4829%0.29427%0.267SS..  trans-69154.8167.597.10000110.4E150 Q151 A152S148-E150 WeakPolarHBondContact CB-OE2 3.5Å; S148-E150 PolarHBondContact O-N 3.31Å; S148-E150 PolarHBondContact OG-N 3.47Å; S148-E150 PolarHBondContact OG-OE2 3.03Å; S148-Q151 PolarHBondContact O-N 3.02Å; S148-Q151 WeakPolarHBondContact OG-CG 3.46Å; S148-Q151 PolarHBondContact OG-N 3.02Å; S148-Q151 VanDerWaalsContact OG-N 3.16Å; S148-A152 WeakPolarHBondContact O-CB 3.48Å; S148-A152 PolarHBondContact O-N 3.06Å
149A98.2Very high98.6Very high48 Ų4849 Ų4940%0.39727%0.272SS..Hα-helixtrans-58-39.3177.300000111.4A152 Q153A149-A152 PolarHBondContact O-N 3.43Å; A149-Q153 WeakPolarHBondContact O-CB 3.43Å; A149-Q153 PolarHBondContact O-N 3.32Å
150E98.3Very high98.5Very high145 Ų14551.3 Ų51.368%0.67829%0.291SS*.Hα-helixtrans-65.7-43.6178.1-55.676.9-166.700111.9S148 G154S148-E150 WeakPolarHBondContact CB-OE2 3.5Å; S148-E150 PolarHBondContact O-N 3.31Å; S148-E150 PolarHBondContact OG-N 3.47Å; S148-E150 PolarHBondContact OG-OE2 3.03Å; E150-G154 PolarHBondContact O-N 2.93Å
151Q98.1Very high98.5Very high83 Ų8351.6 Ų51.639%0.38829%0.288SS..Hα-helixtrans-63.5-48.4176.6-70175.1-42.200111M147 S148 Q153 G154 L155M147-Q151 HydrophobicContact CE-CB 3.82Å; S148-Q151 PolarHBondContact O-N 3.02Å; S148-Q151 WeakPolarHBondContact OG-CG 3.46Å; S148-Q151 PolarHBondContact OG-N 3.02Å; S148-Q151 VanDerWaalsContact OG-N 3.16Å; Q151-Q153 PolarHBondContact O-N 3.27Å; Q151-G154 PolarHBondContact O-N 3.22Å; Q151-L155 WeakPolarHBondContact O-CG 3.47Å; Q151-L155 PolarHBondContact O-N 2.89Å; Q151-L155 VanDerWaalsContact O-N 3.07Å
152A98.6Very high98.5Very high0 Ų056.1 Ų56.10%032%0.317CS..Hα-helixtrans-61.3-45.7179.800000111.3F102 L139 A142 M147 S148 A149 L155 L156F102-A152 WeakPolarHBondContact CE2-O 3.48Å; L139-A152 HydrophobicContact CD2-CB 3.75Å; A142-A152 HydrophobicContact CB-CB 3.72Å; M147-A152 HydrophobicContact CB-CB 4.38Å; S148-A152 WeakPolarHBondContact O-CB 3.48Å; S148-A152 PolarHBondContact O-N 3.06Å; A149-A152 PolarHBondContact O-N 3.43Å; A152-L155 PolarHBondContact O-N 2.95Å; A152-L156 WeakPolarHBondContact O-CB 3.49Å; A152-L156 PolarHBondContact O-N 2.87Å
153Q98.6Very high98.5Very high76 Ų7662.6 Ų62.636%0.35535%0.345SS..Hα-helixtrans-62.3-45.7177.5-176.858.337.900111.9A149 Q151 L155 L156 E157A149-Q153 WeakPolarHBondContact O-CB 3.43Å; A149-Q153 PolarHBondContact O-N 3.32Å; Q151-Q153 PolarHBondContact O-N 3.27Å; Q153-L155 VanDerWaalsContact C-N 3.3Å; Q153-L155 PolarHBondContact O-N 3.07Å; Q153-L156 WeakPolarHBondContact O-CB 3.17Å; Q153-L156 PolarHBondContact O-N 3.09Å; Q153-L156 VanDerWaalsContact O-N 3.1Å; Q153-E157 PolarHBondContact NE2-OE1 3.21Å; Q153-E157 WeakPolarHBondContact O-CG 3.49Å; Q153-E157 PolarHBondContact O-N 3.47Å
154G98.6Very high98.5Very high25 Ų2558.2 Ų58.226%0.25833%0.325SS..Hα-helixtrans-61.8-35178.300000113.6E150 Q151 K158E150-G154 PolarHBondContact O-N 2.93Å; Q151-G154 PolarHBondContact O-N 3.22Å; G154-K158 WeakPolarHBondContact O-CG 3.33Å
155L98.8Very high98.5Very high3 Ų356.1 Ų56.12%0.01632%0.316CS..Hα-helixtrans-73.5-36.6172.5-68.6-177.9000112.6F102 A105 V106 E109 M147 Q151 A152 Q153 E157 K158F102-L155 HydrophobicContact CD2-CB 4.29Å; F102-L155 HydrophobicContact CE2-CB 3.67Å; F102-L155 HydrophobicContact CZ-CB 4.29Å; A105-L155 HydrophobicContact CB-CB 4.39Å; A105-L155 HydrophobicContact CB-CD2 4.2Å; V106-L155 HydrophobicContact CB-CD1 4.36Å; V106-L155 HydrophobicContact CG2-CD1 3.61Å; E109-L155 HydrophobicContact CB-CD2 4.07Å; E109-L155 HydrophobicContact CG-CD2 4.39Å; M147-L155 HydrophobicContact CE-CD1 3.39Å; M147-L155 HydrophobicContact CE-CG 4.39Å; M147-L155 HydrophobicContact SD-CD1 4.29Å; Q151-L155 WeakPolarHBondContact O-CG 3.47Å; Q151-L155 PolarHBondContact O-N 2.89Å; Q151-L155 VanDerWaalsContact O-N 3.07Å; A152-L155 PolarHBondContact O-N 2.95Å; Q153-L155 VanDerWaalsContact C-N 3.3Å; Q153-L155 PolarHBondContact O-N 3.07Å; L155-E157 VanDerWaalsContact C-N 3.31Å; L155-E157 PolarHBondContact O-N 3.1Å; L155-K158 WeakPolarHBondContact O-CB 3.35Å; L155-K158 PolarHBondContact O-N 3.17Å
156L98.6Very high98.5Very high17 Ų1759.7 Ų59.79%0.08933%0.334CS..Hα-helixtrans-63.3-38.7179.7-170.971.7000111.7F102 P135 I138 L139 A152 Q153 K158 I159F102-L156 HydrophobicContact CD2-CB 4.31Å; F102-L156 HydrophobicContact CD2-CD1 3.99Å; F102-L156 HydrophobicContact CE2-CB 4.15Å; F102-L156 HydrophobicContact CE2-CD1 4.44Å; P135-L156 HydrophobicContact CB-CD2 3.86Å; I138-L156 HydrophobicContact CB-CD1 4.23Å; I138-L156 HydrophobicContact CD1-CD1 4.31Å; I138-L156 HydrophobicContact CG2-CD1 3.98Å; L139-L156 HydrophobicContact CD1-CD2 3.93Å; L139-L156 HydrophobicContact CD2-CB 4.11Å; L139-L156 HydrophobicContact CD2-CD2 3.85Å; L139-L156 HydrophobicContact CG-CD2 3.8Å; A152-L156 WeakPolarHBondContact O-CB 3.49Å; A152-L156 PolarHBondContact O-N 2.87Å; Q153-L156 WeakPolarHBondContact O-CB 3.17Å; Q153-L156 PolarHBondContact O-N 3.09Å; Q153-L156 VanDerWaalsContact O-N 3.1Å; L156-K158 PolarHBondContact O-N 3.37Å; L156-I159 HydrophobicContact CD1-CD1 4.07Å; L156-I159 HydrophobicContact CD1-CG2 4.42Å; L156-I159 VanDerWaalsContact O-CG1 3.28Å; L156-I159 WeakPolarHBondContact O-CG1 3.47Å; L156-I159 WeakPolarHBondContact O-CG2 3.48Å; L156-I159 PolarHBondContact O-N 3.31Å
157E98.4Very high98.5Very high133 Ų13359.4 Ų59.462%0.62132%0.316SS*.Hα-helixtrans-61.8-26.5175.1-71.6168.6-167.500112.4Q153 L155Q153-E157 PolarHBondContact NE2-OE1 3.21Å; Q153-E157 WeakPolarHBondContact O-CG 3.49Å; Q153-E157 PolarHBondContact O-N 3.47Å; L155-E157 VanDerWaalsContact C-N 3.31Å; L155-E157 PolarHBondContact O-N 3.1Å
158K98.4Very high98.5Very high70 Ų7059.2 Ų59.230%0.30432%0.316SS..Hα-helixtrans-83.1-13.3-178-65.2173.2-173.1-177.20114.1E109 G154 L155 L156 S160 T161 V164E109-K158 VanDerWaalsContact OE1-CD 3.22Å; E109-K158 WeakPolarHBondContact OE1-CD 3.4Å; E109-K158 IonicContact OE1-NZ 3.69Å; E109-K158 PolarHBondContact OE1-NZ 3.42Å; E109-K158 IonicContact OE2-NZ 2.75Å; E109-K158 PolarHBondContact OE2-NZ 3.03Å; G154-K158 WeakPolarHBondContact O-CG 3.33Å; L155-K158 WeakPolarHBondContact O-CB 3.35Å; L155-K158 PolarHBondContact O-N 3.17Å; L156-K158 PolarHBondContact O-N 3.37Å; K158-S160 PolarHBondContact O-N 3.32Å; K158-T161 HydrophobicContact CB-CG2 4.23Å; K158-T161 VanDerWaalsContact O-CB 3.31Å; K158-T161 WeakPolarHBondContact O-CB 3.36Å; K158-T161 VanDerWaalsContact O-CG2 3.31Å; K158-T161 WeakPolarHBondContact O-CG2 3.34Å; K158-T161 PolarHBondContact O-N 3.1Å; K158-T161 PolarHBondContact O-OG1 3.35Å; K158-V164 HydrophobicContact CB-CG2 4.3Å; K158-V164 WeakPolarHBondContact O-CG2 3.44Å
159I98.3Very high98.5Very high22 Ų2263 Ų6311%0.11333%0.327CS..THydrogen-bonded Turntrans-59.5-26.4-173.973.2-178.1000113.1R101 F102 L156R101-I159 HydrophobicContact CB-CB 3.86Å; R101-I159 HydrophobicContact CB-CG2 4.33Å; R101-I159 WeakPolarHBondContact CD-O 3.47Å; F102-I159 HydrophobicContact CB-CG2 3.99Å; F102-I159 HydrophobicContact CD2-CG2 4.14Å; L156-I159 HydrophobicContact CD1-CD1 4.07Å; L156-I159 HydrophobicContact CD1-CG2 4.42Å; L156-I159 VanDerWaalsContact O-CG1 3.28Å; L156-I159 WeakPolarHBondContact O-CG1 3.47Å; L156-I159 WeakPolarHBondContact O-CG2 3.48Å; L156-I159 PolarHBondContact O-N 3.31Å
160S97.6Very high98.6Very high73 Ų7365.5 Ų65.551%0.5133%0.33SS..THydrogen-bonded Turntrans-91.4-5.5179.9-73.60000114.1K158 K165K158-S160 PolarHBondContact O-N 3.32Å; S160-K165 WeakPolarHBondContact O-CE 3.35Å; S160-K165 PolarHBondContact O-NZ 3.48Å
161T98.7Very high98.6Very high48 Ų4858.9 Ų58.929%0.29430%0.3SS..SBendtrans-67.8150.9-178.964.80000111.7K158 K163 V164 K165K158-T161 HydrophobicContact CB-CG2 4.23Å; K158-T161 VanDerWaalsContact O-CB 3.31Å; K158-T161 WeakPolarHBondContact O-CB 3.36Å; K158-T161 VanDerWaalsContact O-CG2 3.31Å; K158-T161 WeakPolarHBondContact O-CG2 3.34Å; K158-T161 PolarHBondContact O-N 3.1Å; K158-T161 PolarHBondContact O-OG1 3.35Å; T161-K163 VanDerWaalsContact C-N 3.26Å; T161-K163 PolarHBondContact O-N 2.93Å; T161-V164 PolarHBondContact O-N 3.3Å; T161-V164 WeakPolarHBondContact OG1-CG2 3.34Å; T161-V164 PolarHBondContact OG1-N 3.14Å; T161-K165 WeakPolarHBondContact O-CG 3.45Å; T161-K165 PolarHBondContact O-N 2.78Å; T161-K165 VanDerWaalsContact O-N 3.08Å
162P98.6Very high98.6Very high96 Ų9655.4 Ų55.462%0.62329%0.285SS*.Hα-helixtrans-56.6-39.2174.8-26.235.3000112.8V164 K165 N166P162-V164 PolarHBondContact O-N 3.21Å; P162-K165 PolarHBondContact O-N 2.78Å; P162-N166 VanDerWaalsContact O-CB 3.25Å; P162-N166 WeakPolarHBondContact O-CB 3.15Å; P162-N166 PolarHBondContact O-N 3.3Å; P162-N166 PolarHBondContact O-ND2 3.41Å
163K98.7Very high98.6Very high136 Ų13659 Ų5959%0.59130%0.301SS*.Hα-helixtrans-57.3-51.9179.2-173-179.1179.7-172.10111.8L108 T161 Q167L108-K163 HydrophobicContact CD1-CG 4.38Å; T161-K163 VanDerWaalsContact C-N 3.26Å; T161-K163 PolarHBondContact O-N 2.93Å; K163-Q167 WeakPolarHBondContact O-CB 3.39Å; K163-Q167 PolarHBondContact O-N 3.29Å
164V98.8Very high98.6Very high4 Ų455.9 Ų55.92%0.02429%0.288CS..Hα-helixtrans-67.8-42-179.6172.70000111.6R101 T104 A105 L108 K158 T161 P162 N166 Q167 L168R101-V164 HydrophobicContact CB-CG1 3.91Å; R101-V164 HydrophobicContact CG-CG1 4.31Å; R101-V164 WeakPolarHBondContact O-CG1 3.11Å; T104-V164 HydrophobicContact CG2-CG1 4.17Å; A105-V164 HydrophobicContact CB-CG2 3.95Å; L108-V164 HydrophobicContact CD1-CG2 4.38Å; K158-V164 HydrophobicContact CB-CG2 4.3Å; K158-V164 WeakPolarHBondContact O-CG2 3.44Å; T161-V164 PolarHBondContact O-N 3.3Å; T161-V164 WeakPolarHBondContact OG1-CG2 3.34Å; T161-V164 PolarHBondContact OG1-N 3.14Å; P162-V164 PolarHBondContact O-N 3.21Å; V164-N166 PolarHBondContact O-N 2.84Å; V164-Q167 PolarHBondContact O-N 3.29Å; V164-L168 PolarHBondContact O-N 3.22Å; V164-L168 VanDerWaalsContact O-N 3.07Å
165K98.8Very high98.7Very high80 Ų8054.7 Ų54.735%0.34828%0.276SS..Hα-helixtrans-60.5-45.6177.4-75174.3172.4160.20112S160 T161 P162 K169S160-K165 WeakPolarHBondContact O-CE 3.35Å; S160-K165 PolarHBondContact O-NZ 3.48Å; T161-K165 WeakPolarHBondContact O-CG 3.45Å; T161-K165 PolarHBondContact O-N 2.78Å; T161-K165 VanDerWaalsContact O-N 3.08Å; P162-K165 PolarHBondContact O-N 2.78Å; K165-K169 WeakPolarHBondContact O-CB 3.23Å; K165-K169 PolarHBondContact O-N 3.09Å; K165-K169 VanDerWaalsContact O-N 3.13Å
166N98.8Very high98.7Very high85 Ų8555.6 Ų55.646%0.45528%0.282SS..Hα-helixtrans-68.9-43-180-68.6-9.2000110.9P162 V164 L168 K169 E170P162-N166 VanDerWaalsContact O-CB 3.25Å; P162-N166 WeakPolarHBondContact O-CB 3.15Å; P162-N166 PolarHBondContact O-N 3.3Å; P162-N166 PolarHBondContact O-ND2 3.41Å; V164-N166 PolarHBondContact O-N 2.84Å; N166-L168 PolarHBondContact O-N 3.47Å; N166-K169 WeakPolarHBondContact O-CB 3.48Å; N166-K169 PolarHBondContact O-N 2.77Å; N166-K169 VanDerWaalsContact O-N 3.14Å; N166-E170 WeakPolarHBondContact O-CB 3.49Å; N166-E170 WeakPolarHBondContact O-CG 3.39Å; N166-E170 PolarHBondContact O-N 3.26Å
167Q98.9Very high98.7Very high52 Ų5263.1 Ų63.124%0.24331%0.309CS..Hα-helixtrans-59.4-44.4177.5-176.964.252.900112.5T104 L108 K163 V164 K169 E170 T171T104-Q167 HydrophobicContact CG2-CB 3.59Å; T104-Q167 HydrophobicContact CG2-CG 3.47Å; T104-Q167 VanDerWaalsContact CG2-CG 3.47Å; L108-Q167 HydrophobicContact CD1-CB 4.17Å; L108-Q167 HydrophobicContact CD1-CG 4.15Å; L108-Q167 HydrophobicContact CD2-CG 4.03Å; L108-Q167 HydrophobicContact CG-CG 4.23Å; K163-Q167 WeakPolarHBondContact O-CB 3.39Å; K163-Q167 PolarHBondContact O-N 3.29Å; V164-Q167 PolarHBondContact O-N 3.29Å; Q167-K169 VanDerWaalsContact C-N 3.32Å; Q167-K169 PolarHBondContact O-N 3.22Å; Q167-E170 PolarHBondContact O-N 2.99Å; Q167-T171 PolarHBondContact NE2-OG1 3.25Å; Q167-T171 WeakPolarHBondContact O-CB 3.5Å; Q167-T171 PolarHBondContact O-N 2.98Å; Q167-T171 PolarHBondContact O-OG1 3.2Å
168L98.9Very high98.7Very high6 Ų660.5 Ų60.53%0.03129%0.294CS..Hα-helixtrans-63.8-41.4177177.759.7000111L43 L97 M100 R101 T104 V164 N166 T172L43-L168 HydrophobicContact CB-CD1 4.49Å; L97-L168 HydrophobicContact CD1-CD2 4.31Å; M100-L168 HydrophobicContact CB-CD1 4.15Å; M100-L168 HydrophobicContact CB-CD2 4.04Å; R101-L168 HydrophobicContact CG-CD2 3.67Å; T104-L168 HydrophobicContact CG2-CB 4.28Å; V164-L168 PolarHBondContact O-N 3.22Å; V164-L168 VanDerWaalsContact O-N 3.07Å; N166-L168 PolarHBondContact O-N 3.47Å; L168-T172 WeakPolarHBondContact O-CB 3.33Å; L168-T172 PolarHBondContact O-N 3.24Å; L168-T172 PolarHBondContact O-OG1 3.03Å
169K98.8Very high98.7Very high121 Ų12159.2 Ų59.253%0.52630%0.301SS..Hα-helixtrans-61.2-52.1176.5179.3-179.5168.9-174.80111K165 N166 Q167 T171 T172 E173K165-K169 WeakPolarHBondContact O-CB 3.23Å; K165-K169 PolarHBondContact O-N 3.09Å; K165-K169 VanDerWaalsContact O-N 3.13Å; N166-K169 WeakPolarHBondContact O-CB 3.48Å; N166-K169 PolarHBondContact O-N 2.77Å; N166-K169 VanDerWaalsContact O-N 3.14Å; Q167-K169 VanDerWaalsContact C-N 3.32Å; Q167-K169 PolarHBondContact O-N 3.22Å; K169-T171 VanDerWaalsContact C-N 3.32Å; K169-T171 PolarHBondContact O-N 3.16Å; K169-T172 PolarHBondContact O-N 3.5Å; K169-T172 VanDerWaalsContact O-N 3.16Å; K169-E173 WeakPolarHBondContact CE-OE1 3.42Å; K169-E173 HydrophobicContact CG-CG 4.4Å; K169-E173 IonicContact NZ-OE1 2.99Å; K169-E173 WeakPolarHBondContact O-CB 3.23Å; K169-E173 WeakPolarHBondContact O-CG 3.41Å; K169-E173 PolarHBondContact O-N 3.2Å
170E98.8Very high98.7Very high100 Ų10058.3 Ų58.347%0.46730%0.297SS..Hα-helixtrans-60.3-40-179.7-73.7170.1-16600112.5N166 Q167 E173 A174N166-E170 WeakPolarHBondContact O-CB 3.49Å; N166-E170 WeakPolarHBondContact O-CG 3.39Å; N166-E170 PolarHBondContact O-N 3.26Å; Q167-E170 PolarHBondContact O-N 2.99Å; E170-E173 PolarHBondContact O-N 3.15Å; E170-A174 WeakPolarHBondContact O-CB 3.22Å; E170-A174 PolarHBondContact O-N 3.18Å
171T98.9Very high98.7Very high7 Ų759 Ų594%0.04329%0.291CS..Hα-helixtrans-67-41.6176.9-51.40000110.8F11 R40 P41 Q167 K169 A174 A175F11-T171 HydrophobicContact CD1-CG2 4.25Å; F11-T171 HydrophobicContact CE1-CG2 4.09Å; F11-T171 WeakPolarHBondContact CE1-O 3.5Å; R40-T171 HydrophobicContact CB-CG2 3.81Å; P41-T171 VanDerWaalsContact O-CG2 3.28Å; P41-T171 WeakPolarHBondContact O-CG2 3.49Å; Q167-T171 PolarHBondContact NE2-OG1 3.25Å; Q167-T171 WeakPolarHBondContact O-CB 3.5Å; Q167-T171 PolarHBondContact O-N 2.98Å; Q167-T171 PolarHBondContact O-OG1 3.2Å; K169-T171 VanDerWaalsContact C-N 3.32Å; K169-T171 PolarHBondContact O-N 3.16Å; T171-A174 WeakPolarHBondContact O-CB 3.49Å; T171-A174 PolarHBondContact O-N 3.2Å; T171-A175 PolarHBondContact O-N 2.95Å
172T98.8Very high98.7Very high10 Ų1056.9 Ų56.96%0.06128%0.279CS..Hα-helixtrans-65.7-42.4176-550000111.4L43 I47 L168 K169 A174 A175 C176L43-T172 HydrophobicContact CB-CG2 4.36Å; L43-T172 PolarHBondContact N-OG1 3.01Å; L43-T172 WeakPolarHBondContact O-CG2 3.44Å; I47-T172 HydrophobicContact CD1-CG2 4.35Å; I47-T172 HydrophobicContact CG1-CG2 3.8Å; L168-T172 WeakPolarHBondContact O-CB 3.33Å; L168-T172 PolarHBondContact O-N 3.24Å; L168-T172 PolarHBondContact O-OG1 3.03Å; K169-T172 PolarHBondContact O-N 3.5Å; K169-T172 VanDerWaalsContact O-N 3.16Å; T172-A174 VanDerWaalsContact C-N 3.31Å; T172-A174 PolarHBondContact O-N 2.94Å; T172-A175 WeakPolarHBondContact O-CB 3.48Å; T172-A175 PolarHBondContact O-N 2.84Å; T172-C176 PolarHBondContact O-N 3.43Å; T172-C176 VanDerWaalsContact O-N 3.13Å
173E98.8Very high98.7Very high76 Ų7652.8 Ų52.836%0.35525%0.251SS..Hα-helixtrans-66.7-30.5175.6-71.9174.517300112.5K169 E170 C176 R177K169-E173 WeakPolarHBondContact CE-OE1 3.42Å; K169-E173 HydrophobicContact CG-CG 4.4Å; K169-E173 IonicContact NZ-OE1 2.99Å; K169-E173 WeakPolarHBondContact O-CB 3.23Å; K169-E173 WeakPolarHBondContact O-CG 3.41Å; K169-E173 PolarHBondContact O-N 3.2Å; E170-E173 PolarHBondContact O-N 3.15Å; E173-C176 WeakPolarHBondContact O-CB 3.43Å; E173-C176 PolarHBondContact O-N 3.27Å; E173-R177 WeakPolarHBondContact O-CG 3.32Å; E173-R177 PolarHBondContact O-N 3.25Å; E173-R177 PolarHBondContact O-NH1 3.01Å
174A98.8Very high98.7Very high9 Ų946.3 Ų46.37%0.07422%0.223CC..Hα-helixtrans-62.9-43.517200000111.4F11 E170 T171 T172 C176 R177 Y178F11-A174 HydrophobicContact CE1-CB 4.1Å; F11-A174 HydrophobicContact CZ-CB 4.37Å; E170-A174 WeakPolarHBondContact O-CB 3.22Å; E170-A174 PolarHBondContact O-N 3.18Å; T171-A174 WeakPolarHBondContact O-CB 3.49Å; T171-A174 PolarHBondContact O-N 3.2Å; T172-A174 VanDerWaalsContact C-N 3.31Å; T172-A174 PolarHBondContact O-N 2.94Å; A174-C176 VanDerWaalsContact C-N 3.33Å; A174-C176 PolarHBondContact O-N 3.14Å; A174-R177 VanDerWaalsContact CA-NH2 3.32Å; A174-R177 PolarHBondContact O-N 3.39Å; A174-Y178 VanDerWaalsContact O-CD2 3.24Å; A174-Y178 WeakPolarHBondContact O-CD2 3.43Å; A174-Y178 PolarHBondContact O-N 3.29Å; A174-Y178 VanDerWaalsContact O-N 3.08Å
175A98.8Very high98.7Very high0 Ų046.1 Ų46.10%022%0.222CC..Hα-helixtrans-57.5-45.3171.900000111.7F11 I47 T171 T172 R177 Y178 G179 A180 I185F11-A175 HydrophobicContact CB-CB 4.27Å; F11-A175 HydrophobicContact CD1-CB 3.52Å; F11-A175 HydrophobicContact CE1-CB 4.02Å; F11-A175 HydrophobicContact CG-CB 3.9Å; I47-A175 HydrophobicContact CD1-CB 3.87Å; I47-A175 HydrophobicContact CG1-CB 4.36Å; T171-A175 PolarHBondContact O-N 2.95Å; T172-A175 WeakPolarHBondContact O-CB 3.48Å; T172-A175 PolarHBondContact O-N 2.84Å; A175-R177 PolarHBondContact O-N 3.08Å; A175-Y178 PolarHBondContact O-N 3.41Å; A175-Y178 VanDerWaalsContact O-N 3.17Å; A175-G179 PolarHBondContact O-N 2.92Å; A175-A180 HydrophobicContact CB-CB 3.97Å; A175-A180 WeakPolarHBondContact O-CB 3.32Å; A175-A180 PolarHBondContact O-N 2.81Å; A175-I185 HydrophobicContact CB-CD1 4.05Å
176C98.7Very high98.7Very high23 Ų2342.5 Ų42.516%0.15521%0.206CC..Hα-helixtrans-59.2-43.1174.8-69.60000112.6D50 T172 E173 A174 Y178 G179D50-C176 VanDerWaalsContact OD2-CB 3.26Å; D50-C176 WeakPolarHBondContact OD2-CB 3.35Å; D50-C176 PolarHBondContact OD2-SG 3.3Å; T172-C176 PolarHBondContact O-N 3.43Å; T172-C176 VanDerWaalsContact O-N 3.13Å; E173-C176 WeakPolarHBondContact O-CB 3.43Å; E173-C176 PolarHBondContact O-N 3.27Å; A174-C176 VanDerWaalsContact C-N 3.33Å; A174-C176 PolarHBondContact O-N 3.14Å; C176-Y178 PolarHBondContact O-N 3.08Å; C176-G179 WeakPolarHBondContact O-CA 3.36Å; C176-G179 PolarHBondContact O-N 3.29Å
177R98.7Very high98.7Very high174 Ų17438.4 Ų38.466%0.65719%0.185SC*.Hα-helixtrans-62.5-30.2176.1-74-172.6-63-86.24.1113.1E173 A174 A175 G179E173-R177 WeakPolarHBondContact O-CG 3.32Å; E173-R177 PolarHBondContact O-N 3.25Å; E173-R177 PolarHBondContact O-NH1 3.01Å; A174-R177 VanDerWaalsContact CA-NH2 3.32Å; A174-R177 PolarHBondContact O-N 3.39Å; A175-R177 PolarHBondContact O-N 3.08Å; R177-G179 PolarHBondContact O-N 3.19Å
178Y98.6Very high98.7Very high78 Ų7836 Ų3631%0.30617%0.173SC..THydrogen-bonded Turntrans-77.4-2.7171.1-69.7-53.3000113.8E9 F11 A174 A175 C176 V187 H189 T194 M196E9-Y178 WeakPolarHBondContact OE1-CE2 3.29Å; E9-Y178 PolarHBondContact OE1-OH 3.46Å; F11-Y178 HydrophobicContact CE2-CD2 4.04Å; F11-Y178 HydrophobicContact CE2-CE2 4.02Å; F11-Y178 HydrophobicContact CZ-CD2 4.03Å; F11-Y178 AromaticContact CZ-CE2 3.88Å; F11-Y178 HydrophobicContact CZ-CE2 3.88Å; A174-Y178 VanDerWaalsContact O-CD2 3.24Å; A174-Y178 WeakPolarHBondContact O-CD2 3.43Å; A174-Y178 PolarHBondContact O-N 3.29Å; A174-Y178 VanDerWaalsContact O-N 3.08Å; A175-Y178 PolarHBondContact O-N 3.41Å; A175-Y178 VanDerWaalsContact O-N 3.17Å; C176-Y178 PolarHBondContact O-N 3.08Å; Y178-V187 HydrophobicContact CD1-CG1 4.21Å; Y178-V187 HydrophobicContact CD2-CB 4.49Å; Y178-V187 HydrophobicContact CD2-CG1 4.39Å; Y178-V187 HydrophobicContact CD2-CG2 3.68Å; Y178-V187 HydrophobicContact CE1-CG1 3.97Å; Y178-V187 HydrophobicContact CE2-CB 4.36Å; Y178-V187 HydrophobicContact CE2-CG1 4.1Å; Y178-V187 HydrophobicContact CE2-CG2 4.01Å; Y178-V187 HydrophobicContact CG-CG1 4.41Å; Y178-V187 HydrophobicContact CG-CG2 3.93Å; Y178-H189 PolarHBondContact OH-CE1 3.01Å; Y178-T194 HydrophobicContact CD1-CG2 4.32Å; Y178-T194 HydrophobicContact CE1-CG2 3.94Å; Y178-M196 WeakPolarHBondContact O-CE 3.29Å
179G98.4Very high98.7Very high43 Ų4338.2 Ų38.244%0.44318%0.184SC..THydrogen-bonded Turntrans90.222178.900000114.4A175 C176 R177 F181 M196A175-G179 PolarHBondContact O-N 2.92Å; C176-G179 WeakPolarHBondContact O-CA 3.36Å; C176-G179 PolarHBondContact O-N 3.29Å; R177-G179 PolarHBondContact O-N 3.19Å; G179-F181 PolarHBondContact O-N 3.14Å; G179-M196 WeakPolarHBondContact O-CE 3.33Å
180A98.7Very high98.5Very high3 Ų333 Ų333%0.02516%0.162CC..  trans-60.6132.4176.900000111.8I47 A175 I185I47-A180 HydrophobicContact CD1-CB 4.39Å; I47-A180 HydrophobicContact CG2-CB 3.84Å; I47-A180 WeakPolarHBondContact CG2-O 3.37Å; A175-A180 HydrophobicContact CB-CB 3.97Å; A175-A180 WeakPolarHBondContact O-CB 3.32Å; A175-A180 PolarHBondContact O-N 2.81Å; A180-I185 HydrophobicContact CB-CD1 3.77Å; A180-I185 HydrophobicContact CB-CG1 4.26Å; A180-I185 HydrophobicContact CB-CG2 4.09Å
181F98.4Very high98.3Very high89 Ų8934.6 Ų34.639%0.3917%0.174SC..SBendtrans-116.31.5170.355.5-96000112.5N53 G179 F198N53-F181 WeakPolarHBondContact CB-O 3.44Å; N53-F181 PolarHBondContact ND2-O 3.14Å; G179-F181 PolarHBondContact O-N 3.14Å; F181-F198 HydrophobicContact CE1-CB 4.33Å; F181-F198 HydrophobicContact CE1-CG 4.41Å; F181-F198 HydrophobicContact CE2-CB 4.49Å; F181-F198 AromaticContact CE2-CD1 3.7Å; F181-F198 HydrophobicContact CE2-CD1 3.7Å; F181-F198 AromaticContact CE2-CD2 3.89Å; F181-F198 HydrophobicContact CE2-CD2 3.89Å; F181-F198 AromaticContact CE2-CE1 3.8Å; F181-F198 HydrophobicContact CE2-CE1 3.8Å; F181-F198 AromaticContact CE2-CE2 3.99Å; F181-F198 HydrophobicContact CE2-CE2 3.99Å; F181-F198 AromaticContact CE2-CG 3.74Å; F181-F198 HydrophobicContact CE2-CG 3.74Å; F181-F198 AromaticContact CE2-CZ 3.94Å; F181-F198 HydrophobicContact CE2-CZ 3.94Å; F181-F198 HydrophobicContact CZ-CB 3.81Å; F181-F198 AromaticContact CZ-CD1 3.64Å; F181-F198 HydrophobicContact CZ-CD1 3.64Å; F181-F198 HydrophobicContact CZ-CD2 4.04Å; F181-F198 HydrophobicContact CZ-CE1 4.22Å; F181-F198 AromaticContact CZ-CG 3.53Å; F181-F198 HydrophobicContact CZ-CG 3.53Å
182G98.2Very high98Very high3 Ų338.4 Ų38.43%0.03121%0.214CC..SBendtrans-178.1-172.9-178.600000109.9
183L98.6Very high97.9Very high9 Ų943.8 Ų43.85%0.04724%0.239CC..SBendtrans-132.9150.6178-69.7176.5000111.8F11 D13 S16 I44 I47 I185F11-L183 HydrophobicContact CB-CD2 3.86Å; F11-L183 WeakPolarHBondContact O-CD2 3.48Å; D13-L183 HydrophobicContact CB-CD1 3.72Å; S16-L183 PolarHBondContact OG-O 2.72Å; I44-L183 HydrophobicContact CB-CD1 3.94Å; I44-L183 HydrophobicContact CD1-CB 4.18Å; I44-L183 HydrophobicContact CG1-CB 4.33Å; I44-L183 HydrophobicContact CG1-CD1 4.23Å; I44-L183 HydrophobicContact CG1-CG 4.34Å; I47-L183 HydrophobicContact CD1-CD1 3.8Å; I47-L183 HydrophobicContact CD1-CD2 3.58Å; I47-L183 HydrophobicContact CD1-CG 3.64Å; L183-I185 HydrophobicContact CD2-CG1 4.35Å
184P98.8Very high97.9Very high1 Ų143.8 Ų43.81%0.00624%0.244CC..  cis-77.9154.21.732.1-33.7000111.8L10 F11 S19 F198 G199L10-P184 HydrophobicContact CD1-CB 3.95Å; F11-P184 WeakPolarHBondContact O-CA 3.47Å; S19-P184 WeakPolarHBondContact OG-CA 3.4Å; S19-P184 WeakPolarHBondContact OG-CD 3.39Å; S19-P184 VanDerWaalsContact OG-N 3.16Å; P184-F198 WeakPolarHBondContact O-CD2 3.48Å; P184-G199 PolarHBondContact O-N 2.96Å
185I98.9Very high97.9Very high0 Ų045.7 Ų45.70%025%0.251CS..EExtended strand (participates in β ladder)trans-117.5141.8155.763.5154.4000109.2F11 A175 A180 L183 V187 M196 I197 F198F11-I185 HydrophobicContact CB-CD1 4.49Å; F11-I185 HydrophobicContact CB-CG1 3.74Å; F11-I185 HydrophobicContact CD2-CD1 3.95Å; F11-I185 HydrophobicContact CD2-CG1 3.88Å; F11-I185 HydrophobicContact CG-CD1 4.3Å; F11-I185 HydrophobicContact CG-CG1 4.05Å; F11-I185 PolarHBondContact N-O 3.46Å; F11-I185 PolarHBondContact O-N 2.85Å; A175-I185 HydrophobicContact CB-CD1 4.05Å; A180-I185 HydrophobicContact CB-CD1 3.77Å; A180-I185 HydrophobicContact CB-CG1 4.26Å; A180-I185 HydrophobicContact CB-CG2 4.09Å; L183-I185 HydrophobicContact CD2-CG1 4.35Å; I185-V187 HydrophobicContact CD1-CG2 4.01Å; I185-M196 HydrophobicContact CB-CG 4.23Å; I185-M196 HydrophobicContact CB-SD 4.1Å; I185-M196 HydrophobicContact CD1-CG 3.86Å; I185-M196 HydrophobicContact CG2-SD 3.8Å; I185-I197 CarbonylContact C-O 3.59Å; I185-I197 VanDerWaalsContact CA-O 3.28Å; I185-I197 WeakPolarHBondContact CA-O 3.23Å; I185-F198 HydrophobicContact CG2-CB 4.3Å; I185-F198 HydrophobicContact CG2-CD2 4.04Å
186T98.9Very high97.9Very high3 Ų348.7 Ų48.72%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-111.5129.6170.1-560000108V8 E9 L26 I197 L206V8-T186 HydrophobicContact CG1-CG2 3.41Å; V8-T186 VanDerWaalsContact CG1-CG2 3.41Å; E9-T186 CarbonylContact O-C 3.53Å; E9-T186 VanDerWaalsContact O-CA 3.3Å; E9-T186 WeakPolarHBondContact O-CA 3.47Å; L26-T186 HydrophobicContact CD1-CG2 4.14Å; T186-I197 PolarHBondContact N-O 3.35Å; T186-I197 PolarHBondContact O-N 2.8Å; T186-L206 HydrophobicContact CG2-CD2 3.96Å
187V98.9Very high97.9Very high0 Ų048.3 Ų48.30%026%0.262CS..EExtended strand (participates in β ladder)trans-113.2115.7176.1-1760000108.2V8 E9 F11 Y178 I185 T194 H195 M196V8-V187 CarbonylContact C-O 3.57Å; V8-V187 WeakPolarHBondContact CA-O 3.29Å; E9-V187 HydrophobicContact CB-CB 4.26Å; E9-V187 PolarHBondContact N-O 3.05Å; E9-V187 PolarHBondContact O-N 3.38Å; F11-V187 HydrophobicContact CD2-CG2 4.27Å; F11-V187 HydrophobicContact CE2-CB 4.49Å; F11-V187 HydrophobicContact CE2-CG2 3.92Å; Y178-V187 HydrophobicContact CD1-CG1 4.21Å; Y178-V187 HydrophobicContact CD2-CB 4.49Å; Y178-V187 HydrophobicContact CD2-CG1 4.39Å; Y178-V187 HydrophobicContact CD2-CG2 3.68Å; Y178-V187 HydrophobicContact CE1-CG1 3.97Å; Y178-V187 HydrophobicContact CE2-CB 4.36Å; Y178-V187 HydrophobicContact CE2-CG1 4.1Å; Y178-V187 HydrophobicContact CE2-CG2 4.01Å; Y178-V187 HydrophobicContact CG-CG1 4.41Å; Y178-V187 HydrophobicContact CG-CG2 3.93Å; I185-V187 HydrophobicContact CD1-CG2 4.01Å; V187-T194 HydrophobicContact CG1-CG2 3.49Å; V187-T194 VanDerWaalsContact CG1-CG2 3.49Å; V187-H195 CarbonylContact C-O 3.59Å; V187-H195 WeakPolarHBondContact CA-O 3.42Å; V187-M196 HydrophobicContact CG2-CB 4.32Å; V187-M196 HydrophobicContact CG2-CG 4.11Å
188A98.6Very high97.9Very high0 Ų043.7 Ų43.70%025%0.247CC..EExtended strand (participates in β ladder)trans-105.8130.7179.300000110.3V190 T194 H195 L206A188-V190 HydrophobicContact CB-CG2 4.22Å; A188-T194 WeakPolarHBondContact O-CA 3.2Å; A188-H195 PolarHBondContact N-O 3.33Å; A188-H195 PolarHBondContact O-N 2.8Å; A188-L206 HydrophobicContact CB-CD1 3.58Å
189H98.2Very high97.9Very high54 Ų5440.3 Ų40.325%0.2524%0.236CC..EExtended strand (participates in β ladder)trans-104.9106.8174.5-56.2-78.8000109.4T7 E9 Y178 Q193 T194T7-H189 PolarHBondContact O-N 3.09Å; E9-H189 IonicContact OE1-NE2 3.23Å; E9-H189 PolarHBondContact OE1-NE2 3.29Å; Y178-H189 PolarHBondContact OH-CE1 3.01Å; H189-Q193 CarbonylContact C-O 3.57Å; H189-Q193 WeakPolarHBondContact CA-O 3.49Å; H189-T194 PolarHBondContact ND1-OG1 2.87Å; H189-T194 VanDerWaalsContact ND1-OG1 3.11Å
190V95.9Very high97.9Very high11 Ų1138.6 Ų38.67%0.06722%0.217CC..EExtended strand (participates in β ladder)trans-129.7121.1-172.8-1700000108.9R6 A188 G192 Q193 L210R6-V190 HydrophobicContact CG-CG1 4.43Å; R6-V190 HydrophobicContact CG-CG2 4.3Å; A188-V190 HydrophobicContact CB-CG2 4.22Å; V190-G192 PolarHBondContact O-N 2.66Å; V190-G192 VanDerWaalsContact O-N 3.09Å; V190-Q193 PolarHBondContact N-O 3.27Å; V190-Q193 WeakPolarHBondContact O-CA 3.13Å; V190-Q193 WeakPolarHBondContact O-CB 3.48Å; V190-Q193 PolarHBondContact O-N 3.28Å; V190-L210 HydrophobicContact CG2-CD2 3.69Å
191D92.7Very high97.9Very high134 Ų13443.2 Ų43.272%0.71724%0.241SC*.THydrogen-bonded Turntrans49.141.6172.7-54.2-24.8000114.4R6 Q193R6-D191 IonicContact NH2-OD1 3.76Å; D191-Q193 VanDerWaalsContact C-N 3.3Å; D191-Q193 PolarHBondContact O-N 3.02Å
192G93.3Very high97.9Very high87 Ų8743.8 Ų43.890%0.89724%0.241SC*.THydrogen-bonded Turntrans82.70.1179.800000115.1V190V190-G192 PolarHBondContact O-N 2.66Å; V190-G192 VanDerWaalsContact O-N 3.09Å
193Q97Very high97.9Very high122 Ų12244 Ų4457%0.5724%0.241SC*.EExtended strand (participates in β ladder)trans-104.2154.2174.7-57.5-172.15.700111.4H189 V190 D191 H195H189-Q193 CarbonylContact C-O 3.57Å; H189-Q193 WeakPolarHBondContact CA-O 3.49Å; V190-Q193 PolarHBondContact N-O 3.27Å; V190-Q193 WeakPolarHBondContact O-CA 3.13Å; V190-Q193 WeakPolarHBondContact O-CB 3.48Å; V190-Q193 PolarHBondContact O-N 3.28Å; D191-Q193 VanDerWaalsContact C-N 3.3Å; D191-Q193 PolarHBondContact O-N 3.02Å; Q193-H195 PolarHBondContact OE1-CE1 3.34Å
194T98.4Very high97.9Very high76 Ų7649.6 Ų49.647%0.46627%0.267SS..EExtended strand (participates in β ladder)trans-120.6123.6177.6-62.20000109.1Y178 V187 A188 H189Y178-T194 HydrophobicContact CD1-CG2 4.32Å; Y178-T194 HydrophobicContact CE1-CG2 3.94Å; V187-T194 HydrophobicContact CG1-CG2 3.49Å; V187-T194 VanDerWaalsContact CG1-CG2 3.49Å; A188-T194 WeakPolarHBondContact O-CA 3.2Å; H189-T194 PolarHBondContact ND1-OG1 2.87Å; H189-T194 VanDerWaalsContact ND1-OG1 3.11Å
195H98.6Very high97.9Very high50 Ų5053.6 Ų53.623%0.23129%0.288CS..EExtended strand (participates in β ladder)trans-117.8116.5179.4-55.8-75.4000109.9V187 A188 Q193 L209V187-H195 CarbonylContact C-O 3.59Å; V187-H195 WeakPolarHBondContact CA-O 3.42Å; A188-H195 PolarHBondContact N-O 3.33Å; A188-H195 PolarHBondContact O-N 2.8Å; Q193-H195 PolarHBondContact OE1-CE1 3.34Å; H195-L209 HydrophobicContact CB-CD1 4.06Å
196M98.6Very high97.9Very high63 Ų6353.6 Ų53.631%0.3129%0.288SS..EExtended strand (participates in β ladder)trans-93.2130.4170.4-174.8-82.8-72.100109.7Y178 G179 I185 V187Y178-M196 WeakPolarHBondContact O-CE 3.29Å; G179-M196 WeakPolarHBondContact O-CE 3.33Å; I185-M196 HydrophobicContact CB-CG 4.23Å; I185-M196 HydrophobicContact CB-SD 4.1Å; I185-M196 HydrophobicContact CD1-CG 3.86Å; I185-M196 HydrophobicContact CG2-SD 3.8Å; V187-M196 HydrophobicContact CG2-CB 4.32Å; V187-M196 HydrophobicContact CG2-CG 4.11Å
197I98.4Very high97.9Very high15 Ų1553.5 Ų53.58%0.07729%0.287CS..EExtended strand (participates in β ladder)trans-129.8124.9-175.5-51.9176.3000108.5I185 T186 R202 L206 L209I185-I197 CarbonylContact C-O 3.59Å; I185-I197 VanDerWaalsContact CA-O 3.28Å; I185-I197 WeakPolarHBondContact CA-O 3.23Å; T186-I197 PolarHBondContact N-O 3.35Å; T186-I197 PolarHBondContact O-N 2.8Å; I197-R202 HydrophobicContact CG2-CB 3.12Å; I197-R202 HydrophobicContact CG2-CG 3.58Å; I197-L206 HydrophobicContact CD1-CB 4.01Å; I197-L206 HydrophobicContact CD1-CD1 4.04Å; I197-L209 HydrophobicContact CD1-CD1 3.83Å
198F98.9Very high97.9Very high77 Ų7761.2 Ų61.234%0.33832%0.321SS..EExtended strand (participates in β ladder)trans-96.1137178.2171.4-99.8000111.8F181 P184 I185 R202F181-F198 HydrophobicContact CE1-CB 4.33Å; F181-F198 HydrophobicContact CE1-CG 4.41Å; F181-F198 HydrophobicContact CE2-CB 4.49Å; F181-F198 AromaticContact CE2-CD1 3.7Å; F181-F198 HydrophobicContact CE2-CD1 3.7Å; F181-F198 AromaticContact CE2-CD2 3.89Å; F181-F198 HydrophobicContact CE2-CD2 3.89Å; F181-F198 AromaticContact CE2-CE1 3.8Å; F181-F198 HydrophobicContact CE2-CE1 3.8Å; F181-F198 AromaticContact CE2-CE2 3.99Å; F181-F198 HydrophobicContact CE2-CE2 3.99Å; F181-F198 AromaticContact CE2-CG 3.74Å; F181-F198 HydrophobicContact CE2-CG 3.74Å; F181-F198 AromaticContact CE2-CZ 3.94Å; F181-F198 HydrophobicContact CE2-CZ 3.94Å; F181-F198 HydrophobicContact CZ-CB 3.81Å; F181-F198 AromaticContact CZ-CD1 3.64Å; F181-F198 HydrophobicContact CZ-CD1 3.64Å; F181-F198 HydrophobicContact CZ-CD2 4.04Å; F181-F198 HydrophobicContact CZ-CE1 4.22Å; F181-F198 AromaticContact CZ-CG 3.53Å; F181-F198 HydrophobicContact CZ-CG 3.53Å; P184-F198 WeakPolarHBondContact O-CD2 3.48Å; I185-F198 HydrophobicContact CG2-CB 4.3Å; I185-F198 HydrophobicContact CG2-CD2 4.04Å; F198-R202 WeakPolarHBondContact O-CG 3.49Å
199G98.6Very high97.8Very high6 Ų663.7 Ų63.76%0.06233%0.334CS..SBendtrans100.3169172.500000115.1P184P184-G199 PolarHBondContact O-N 2.96Å
200S98.8Very high97.8Very high7 Ų761.6 Ų61.65%0.04933%0.325CS..SBendtrans-90.8-6.6175.8560000113.3Y18Y18-S200 WeakPolarHBondContact O-CB 3.32Å
201D98.6Very high97.8Very high100 Ų10064.5 Ų64.554%0.53536%0.357SS..SBendtrans-102.522.2-172.761.2-21000112.1
202R98.8Very high98.1Very high102 Ų10260.7 Ų60.739%0.38534%0.335SS..  trans-124.910.7179.7-59.9-67.5177.7-80.7-14.8113.5I197 F198 E204 L205 L206I197-R202 HydrophobicContact CG2-CB 3.12Å; I197-R202 HydrophobicContact CG2-CG 3.58Å; F198-R202 WeakPolarHBondContact O-CG 3.49Å; R202-E204 VanDerWaalsContact C-N 3.27Å; R202-E204 PolarHBondContact O-N 3.24Å; R202-L205 WeakPolarHBondContact O-CB 3.48Å; R202-L205 PolarHBondContact O-N 3.05Å; R202-L205 VanDerWaalsContact O-N 3.11Å; R202-L206 PolarHBondContact O-N 2.65Å
203M98.6Very high98.3Very high6 Ų663.8 Ų63.83%0.0332%0.324CS..Hα-helixtrans-66.7-29.2-178.6-59.3-58.2177.300112.7V25 L26 L206 A207 W214V25-M203 HydrophobicContact CB-CG 4.24Å; V25-M203 HydrophobicContact CG1-CB 3.92Å; V25-M203 HydrophobicContact CG1-CG 3.72Å; L26-M203 HydrophobicContact CD1-CE 3.91Å; L26-M203 HydrophobicContact CD1-SD 4.42Å; L26-M203 HydrophobicContact CD2-SD 4.02Å; L26-M203 HydrophobicContact CG-CE 3.89Å; L26-M203 HydrophobicContact CG-SD 4Å; M203-L206 WeakPolarHBondContact O-CB 3.5Å; M203-L206 PolarHBondContact O-N 3.16Å; M203-L206 HydrophobicContact SD-CD2 4.05Å; M203-A207 PolarHBondContact O-N 3.05Å; M203-W214 HydrophobicContact CB-CE3 4.38Å; M203-W214 HydrophobicContact CB-CH2 3.69Å; M203-W214 HydrophobicContact CB-CZ2 4.49Å; M203-W214 HydrophobicContact CB-CZ3 3.62Å
204E98.8Very high98.4Very high128 Ų12861.1 Ų61.160%0.59831%0.308SS*.Hα-helixtrans-67.2-39.7170.9-177.1166.1-159.500112.3R202 A207 F208 W214R202-E204 VanDerWaalsContact C-N 3.27Å; R202-E204 PolarHBondContact O-N 3.24Å; E204-A207 WeakPolarHBondContact O-CB 3.32Å; E204-A207 PolarHBondContact O-N 2.88Å; E204-F208 PolarHBondContact O-N 2.62Å; E204-W214 HydrophobicContact CB-CD2 4.14Å; E204-W214 HydrophobicContact CB-CG 3.92Å; E204-W214 VanDerWaalsContact CD-CD1 3.49Å; E204-W214 HydrophobicContact CG-CB 4.23Å; E204-W214 VanDerWaalsContact CG-CD1 3.5Å; E204-W214 HydrophobicContact CG-CG 3.9Å
205L98.8Very high98.4Very high84 Ų8460.4 Ų60.444%0.4430%0.3SS..Hα-helixtrans-66.9-38.8173.1177.663000111.3R202 F208 L209R202-L205 WeakPolarHBondContact O-CB 3.48Å; R202-L205 PolarHBondContact O-N 3.05Å; R202-L205 VanDerWaalsContact O-N 3.11Å; L205-F208 HydrophobicContact CD1-CD1 4.37Å; L205-F208 WeakPolarHBondContact O-CB 3.43Å; L205-F208 PolarHBondContact O-N 3.05Å; L205-L209 HydrophobicContact CG-CD1 4.41Å; L205-L209 WeakPolarHBondContact O-CG 3.41Å; L205-L209 PolarHBondContact O-N 3.34Å
206L98.7Very high98.3Very high1 Ų159 Ų591%0.00530%0.299CS..Hα-helixtrans-60.7-45.2173.7176.661.6000111.3V8 L26 W33 T186 A188 I197 R202 M203 F208 L209 L210V8-L206 HydrophobicContact CG1-CD2 4.38Å; L26-L206 HydrophobicContact CD2-CD2 3.71Å; W33-L206 HydrophobicContact CZ3-CD2 4.16Å; W33-L206 HydrophobicContact CZ3-CG 4.35Å; T186-L206 HydrophobicContact CG2-CD2 3.96Å; A188-L206 HydrophobicContact CB-CD1 3.58Å; I197-L206 HydrophobicContact CD1-CB 4.01Å; I197-L206 HydrophobicContact CD1-CD1 4.04Å; R202-L206 PolarHBondContact O-N 2.65Å; M203-L206 WeakPolarHBondContact O-CB 3.5Å; M203-L206 PolarHBondContact O-N 3.16Å; M203-L206 HydrophobicContact SD-CD2 4.05Å; L206-F208 VanDerWaalsContact C-N 3.31Å; L206-F208 PolarHBondContact O-N 3.29Å; L206-L209 PolarHBondContact O-N 3.47Å; L206-L210 HydrophobicContact CD1-CD1 3.81Å; L206-L210 HydrophobicContact CD1-CG 3.98Å; L206-L210 HydrophobicContact CD2-CD1 4.46Å; L206-L210 HydrophobicContact CG-CD1 3.76Å; L206-L210 HydrophobicContact CG-CG 4.35Å; L206-L210 WeakPolarHBondContact O-CB 3.35Å; L206-L210 VanDerWaalsContact O-CG 3.27Å; L206-L210 WeakPolarHBondContact O-CG 3.27Å; L206-L210 PolarHBondContact O-N 3.1Å
207A98.6Very high98.3Very high1 Ų156.5 Ų56.51%0.00829%0.287CS..Hα-helixtrans-56.3-46.1174.400000111.5W33 M203 E204 L209 L210 G211 E212 W214W33-A207 HydrophobicContact CH2-CB 3.85Å; W33-A207 HydrophobicContact CZ2-CB 3.58Å; M203-A207 PolarHBondContact O-N 3.05Å; E204-A207 WeakPolarHBondContact O-CB 3.32Å; E204-A207 PolarHBondContact O-N 2.88Å; A207-L209 PolarHBondContact O-N 2.9Å; A207-L210 PolarHBondContact O-N 3.31Å; A207-G211 PolarHBondContact O-N 2.89Å; A207-G211 VanDerWaalsContact O-N 3.1Å; A207-E212 CarbonylContact C-O 3.55Å; A207-E212 PolarHBondContact O-N 3.29Å; A207-W214 HydrophobicContact CB-CB 3.86Å
208F98.5Very high98.3Very high162 Ų16258.2 Ų58.271%0.71130%0.298SS*.Hα-helixtrans-57.7-47.4175174.3-96.4000112.4E204 L205 L206 L210 G211E204-F208 PolarHBondContact O-N 2.62Å; L205-F208 HydrophobicContact CD1-CD1 4.37Å; L205-F208 WeakPolarHBondContact O-CB 3.43Å; L205-F208 PolarHBondContact O-N 3.05Å; L206-F208 VanDerWaalsContact C-N 3.31Å; L206-F208 PolarHBondContact O-N 3.29Å; F208-L210 VanDerWaalsContact C-N 3.32Å; F208-L210 PolarHBondContact O-N 3Å; F208-G211 PolarHBondContact O-N 3.48Å; F208-G211 VanDerWaalsContact O-N 3.17Å
209L97.9Very high98.2Very high52 Ų5255.3 Ų55.327%0.27229%0.287SS..Hα-helixtrans-63.3-36.3178.4-71.3170.2000112.8H195 I197 L205 L206 A207 G211H195-L209 HydrophobicContact CB-CD1 4.06Å; I197-L209 HydrophobicContact CD1-CD1 3.83Å; L205-L209 HydrophobicContact CG-CD1 4.41Å; L205-L209 WeakPolarHBondContact O-CG 3.41Å; L205-L209 PolarHBondContact O-N 3.34Å; L206-L209 PolarHBondContact O-N 3.47Å; A207-L209 PolarHBondContact O-N 2.9Å; L209-G211 VanDerWaalsContact C-N 3.26Å; L209-G211 PolarHBondContact O-N 2.97Å
210L97.3Very high98Very high10 Ų1059 Ų595%0.05231%0.31CS..Hα-helixtrans-77.4-10.7178.5-67.3170.1000113.2R6 V8 W33 I35 V190 L206 A207 F208 E212R6-L210 HydrophobicContact CB-CD2 3.75Å; R6-L210 HydrophobicContact CG-CD2 4.03Å; V8-L210 HydrophobicContact CG2-CD1 4.44Å; V8-L210 HydrophobicContact CG2-CD2 4.42Å; W33-L210 HydrophobicContact CE3-CD1 3.87Å; W33-L210 HydrophobicContact CZ3-CD1 4.22Å; I35-L210 HydrophobicContact CG2-CD1 3.77Å; I35-L210 HydrophobicContact CG2-CD2 4.25Å; V190-L210 HydrophobicContact CG2-CD2 3.69Å; L206-L210 HydrophobicContact CD1-CD1 3.81Å; L206-L210 HydrophobicContact CD1-CG 3.98Å; L206-L210 HydrophobicContact CD2-CD1 4.46Å; L206-L210 HydrophobicContact CG-CD1 3.76Å; L206-L210 HydrophobicContact CG-CG 4.35Å; L206-L210 WeakPolarHBondContact O-CB 3.35Å; L206-L210 VanDerWaalsContact O-CG 3.27Å; L206-L210 WeakPolarHBondContact O-CG 3.27Å; L206-L210 PolarHBondContact O-N 3.1Å; A207-L210 PolarHBondContact O-N 3.31Å; F208-L210 VanDerWaalsContact C-N 3.32Å; F208-L210 PolarHBondContact O-N 3Å; L210-E212 HydrophobicContact CB-CB 4.08Å; L210-E212 HydrophobicContact CB-CG 3.62Å
211G97.1Very high97Very high72 Ų7263 Ų6374%0.74234%0.343SS*.THydrogen-bonded Turntrans68.125.7-169.300000112.9A207 F208 L209A207-G211 PolarHBondContact O-N 2.89Å; A207-G211 VanDerWaalsContact O-N 3.1Å; F208-G211 PolarHBondContact O-N 3.48Å; F208-G211 VanDerWaalsContact O-N 3.17Å; L209-G211 VanDerWaalsContact C-N 3.26Å; L209-G211 PolarHBondContact O-N 2.97Å
212E97.7Very high95.6Very high53 Ų5362.2 Ų62.225%0.24834%0.343CS..  trans-105.1158.3-174.9-68.8-72.3-176.500111.6W33 N34 A207 L210W33-E212 HydrophobicContact CB-CG 3.92Å; W33-E212 HydrophobicContact CD2-CB 4.08Å; W33-E212 HydrophobicContact CD2-CG 4.34Å; W33-E212 HydrophobicContact CG-CB 3.84Å; W33-E212 HydrophobicContact CG-CG 3.78Å; N34-E212 WeakPolarHBondContact CB-OE1 3.37Å; N34-E212 PolarHBondContact N-OE1 3.2Å; A207-E212 CarbonylContact C-O 3.55Å; A207-E212 PolarHBondContact O-N 3.29Å; L210-E212 HydrophobicContact CB-CB 4.08Å; L210-E212 HydrophobicContact CB-CG 3.62Å
213K98Very high93.3Very high153 Ų15364.5 Ų64.567%0.66536%0.362SS*.  trans-83.3123.1178.9-170.8179.4-179-178.20111.2W33 M215W33-K213 PolarHBondContact NE1-O 3.28Å; K213-M215 HydrophobicContact CD-CG 4.15Å; K213-M215 HydrophobicContact CD-SD 4.42Å; K213-M215 HydrophobicContact CG-CG 4.06Å
214W98.4Very high90.5Very high65 Ų6568.2 Ų68.225%0.24639%0.394CS..  trans-79128.4165.6-178.5-123.9000110.7V25 Y29 W33 M203 E204 A207 G216 P217V25-W214 HydrophobicContact CG1-CH2 3.79Å; V25-W214 HydrophobicContact CG1-CZ3 3.78Å; Y29-W214 HydrophobicContact CD2-CZ3 4.14Å; Y29-W214 HydrophobicContact CE1-CE3 4.45Å; Y29-W214 AromaticContact CE2-CE3 3.86Å; Y29-W214 HydrophobicContact CE2-CE3 3.86Å; Y29-W214 HydrophobicContact CE2-CH2 4.12Å; Y29-W214 AromaticContact CE2-CZ3 3.31Å; Y29-W214 HydrophobicContact CE2-CZ3 3.31Å; Y29-W214 AromaticContact CZ-CE3 3.64Å; Y29-W214 AromaticContact CZ-CZ3 3.6Å; Y29-W214 VanDerWaalsContact OH-CE3 3.31Å; W33-W214 HydrophobicContact CH2-CE3 4.07Å; W33-W214 HydrophobicContact CH2-CZ3 4.26Å; W33-W214 AromaticContact CZ2-CE3 3.93Å; W33-W214 HydrophobicContact CZ2-CE3 3.93Å; W33-W214 HydrophobicContact CZ2-CZ3 4.44Å; M203-W214 HydrophobicContact CB-CE3 4.38Å; M203-W214 HydrophobicContact CB-CH2 3.69Å; M203-W214 HydrophobicContact CB-CZ2 4.49Å; M203-W214 HydrophobicContact CB-CZ3 3.62Å; E204-W214 HydrophobicContact CB-CD2 4.14Å; E204-W214 HydrophobicContact CB-CG 3.92Å; E204-W214 VanDerWaalsContact CD-CD1 3.49Å; E204-W214 HydrophobicContact CG-CB 4.23Å; E204-W214 VanDerWaalsContact CG-CD1 3.5Å; E204-W214 HydrophobicContact CG-CG 3.9Å; A207-W214 HydrophobicContact CB-CB 3.86Å; W214-G216 VanDerWaalsContact CE2-CA 3.47Å; W214-G216 VanDerWaalsContact CH2-O 3.3Å; W214-G216 WeakPolarHBondContact CH2-O 3.38Å; W214-P217 HydrophobicContact CH2-CB 4.47Å
215M98.3Very high87.6Confident62 Ų6273.8 Ų73.831%0.30541%0.409SS..  trans-124.225.1-178.9-60.6-178.3-73.700111.6Y29 I32 K213 P219 P220Y29-M215 HydrophobicContact CE1-CE 4.05Å; Y29-M215 WeakPolarHBondContact OH-CA 3.18Å; Y29-M215 PolarHBondContact OH-N 3.22Å; I32-M215 HydrophobicContact CD1-CE 4.14Å; I32-M215 HydrophobicContact CG2-CE 3.54Å; K213-M215 HydrophobicContact CD-CG 4.15Å; K213-M215 HydrophobicContact CD-SD 4.42Å; K213-M215 HydrophobicContact CG-CG 4.06Å; M215-P219 HydrophobicContact CB-CB 4.21Å; M215-P219 HydrophobicContact CE-CB 3.97Å; M215-P220 HydrophobicContact SD-CG 4.08Å
216G98.3Very high84.6Confident19 Ų1981.4 Ų81.420%0.19645%0.449CS..  trans82176.1-174.400000113.6Y29 W214 V218Y29-G216 WeakPolarHBondContact CE2-O 3.5Å; Y29-G216 PolarHBondContact OH-N 3.39Å; Y29-G216 PolarHBondContact OH-O 2.83Å; W214-G216 VanDerWaalsContact CE2-CA 3.47Å; W214-G216 VanDerWaalsContact CH2-O 3.3Å; W214-G216 WeakPolarHBondContact CH2-O 3.38Å; G216-V218 PolarHBondContact O-N 3.38Å
217P98Very high83.8Confident11 Ų1185.4 Ų85.47%0.07147%0.471CS..SBendtrans-69.9-14.7-176.930.6-38.3000113.8V25 R28 H76 F77 W214V25-P217 HydrophobicContact CG2-CB 3.97Å; R28-P217 WeakPolarHBondContact CD-O 3.31Å; R28-P217 PolarHBondContact NH1-O 3.12Å; H76-P217 WeakPolarHBondContact O-CG 3.45Å; F77-P217 HydrophobicContact CD1-CB 3.82Å; F77-P217 HydrophobicContact CD2-CB 4.3Å; F77-P217 HydrophobicContact CE1-CB 4Å; F77-P217 HydrophobicContact CE2-CB 4.42Å; F77-P217 HydrophobicContact CG-CB 3.97Å; F77-P217 HydrophobicContact CZ-CB 4.28Å; W214-P217 HydrophobicContact CH2-CB 4.47Å
218V98.3Very high83.1Confident51 Ų5189.8 Ų89.831%0.30950%0.496SS..SBendtrans-125.280.1177.9-170.60000107.5Q78 G216Q78-V218 HydrophobicContact CB-CG2 4.14Å; Q78-V218 HydrophobicContact CG-CG2 3.95Å; G216-V218 PolarHBondContact O-N 3.38Å
219P97.3Very high82.2Confident16 Ų1685.8 Ų85.810%0.10448%0.484CS..PPolyproline II helixtrans-62.2150.5179.127.1-34.1000110.4R28 Y29 I32 M215R28-P219 HydrophobicContact CB-CG 3.88Å; Y29-P219 HydrophobicContact CD1-CG 4.41Å; Y29-P219 HydrophobicContact CD2-CG 4.1Å; Y29-P219 HydrophobicContact CE1-CB 3.94Å; Y29-P219 HydrophobicContact CE1-CG 4.16Å; Y29-P219 HydrophobicContact CE2-CB 4.2Å; Y29-P219 HydrophobicContact CE2-CG 3.76Å; Y29-P219 HydrophobicContact CG-CG 4.42Å; I32-P219 HydrophobicContact CD1-CB 3.51Å; I32-P219 HydrophobicContact CD1-CG 3.51Å; M215-P219 HydrophobicContact CB-CB 4.21Å; M215-P219 HydrophobicContact CE-CB 3.97Å
220P93.3Very high81.3Confident84 Ų8487.8 Ų87.855%0.54550%0.496SS..PPolyproline II helixtrans-59.7147175.226.8-33.9000110.1M215 V222M215-P220 HydrophobicContact SD-CG 4.08Å; P220-V222 PolarHBondContact O-N 3.45Å
221A77.3Confident80.3Confident90 Ų9092.7 Ų92.774%0.74452%0.524SS*.PPolyproline II helixtrans-54.6128.1175.100000109.5N223A221-N223 PolarHBondContact O-N 2.99Å
222V69.1Low79.2Confident85 Ų8594.1 Ų94.152%0.51551%0.509SS..  trans-66.8109.6168.7-172.80000105.5I32 P220 A224I32-V222 HydrophobicContact CD1-CG2 4.04Å; I32-V222 HydrophobicContact CG1-CG2 3.59Å; P220-V222 PolarHBondContact O-N 3.45Å; V222-A224 PolarHBondContact O-N 2.95Å
223N50.6Low77.9Confident149 Ų14997 Ų9780%0.79753%0.528SS*.  trans-53.3113.2162.1-79.3-20.4000105.4A221 R225A221-N223 PolarHBondContact O-N 2.99Å; N223-R225 PolarHBondContact O-N 3.12Å
224A40.1Very low76.3Confident84 Ų8492.7 Ų92.769%0.69452%0.518SS*.  trans-46118.7175.700000106.7V222 L226V222-A224 PolarHBondContact O-N 2.95Å; A224-L226 VanDerWaalsContact C-N 3.33Å; A224-L226 PolarHBondContact O-N 2.68Å
225R39.2Very low74.5Confident246 Ų24695 Ų9593%0.92854%0.54SS*.  trans-58.1106.1171.4-73.3-177.9179.7-178.91.1105.5N223N223-R225 PolarHBondContact O-N 3.12Å
226L33.8Very low72.3Confident243 Ų24398 Ų98100%1.27256%0.561SS**  trans-62.80163.8-74.5166.5000109A224A224-L226 VanDerWaalsContact C-N 3.33Å; A224-L226 PolarHBondContact O-N 2.68Å

Retrieved 226 of 226 residues in 158 ms (Link to these results)

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