A0A5K4F9U5_SCHMA Loading...

HTH araC/xylS-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9U5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 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
1M60.4Low77.5Confident212 Ų21289 Ų89100%1.04449%0.489SS*.  0-48.70-155.4173.6-170.100112.4S4M1-S4 PolarHBondContact O-OG 3.02Å
2I61Low78.3Confident75 Ų7583.9 Ų83.939%0.38546%0.461SS..  trans-73.2-40.7178.2-60.6174.4000112.2S4 V5 L6 F14I2-S4 PolarHBondContact O-N 3.22Å; I2-V5 PolarHBondContact O-N 3.38Å; I2-L6 HydrophobicContact CG2-CD1 3.69Å; I2-L6 HydrophobicContact CG2-CG 4.26Å; I2-L6 PolarHBondContact O-N 2.83Å; I2-F14 HydrophobicContact CD1-CE1 4.08Å
3K62.9Low79.2Confident77 Ų7788.4 Ų88.434%0.33547%0.467SS..THydrogen-bonded Turntrans-56.3-22.9178.2-75.4-173.3166.5175.10115.1S56 I57 S58 Y59K3-S56 PolarHBondContact NZ-O 3.08Å; K3-I57 WeakPolarHBondContact CE-O 3.32Å; K3-S58 PolarHBondContact NZ-O 2.62Å; K3-Y59 HydrophobicContact CD-CE2 4.49Å; K3-Y59 HydrophobicContact CG-CE2 4.37Å
4S71.2Confident80Confident101 Ų10187.8 Ų87.871%0.70646%0.458SS*.THydrogen-bonded Turntrans-86.7-12.8-179.6530000113.6M1 I2M1-S4 PolarHBondContact O-OG 3.02Å; I2-S4 PolarHBondContact O-N 3.22Å
5V79.3Confident80.7Confident119 Ų11981.9 Ų81.972%0.72143%0.428SS*.THydrogen-bonded Turntrans-106.3-36.1-175.4-1760000111.3I2I2-V5 PolarHBondContact O-N 3.38Å
6L80.8Confident81.4Confident58 Ų5879.6 Ų79.630%0.30442%0.416SS..SBendtrans-94.5147.1-179-61.9-179.6000111.2I2 N10 N11 F14I2-L6 HydrophobicContact CG2-CD1 3.69Å; I2-L6 HydrophobicContact CG2-CG 4.26Å; I2-L6 PolarHBondContact O-N 2.83Å; L6-N10 HydrophobicContact CB-CB 4.18Å; L6-N10 HydrophobicContact CD2-CB 4.35Å; L6-N11 HydrophobicContact CB-CB 4.03Å; L6-N11 HydrophobicContact CD1-CB 4.4Å; L6-F14 HydrophobicContact CD1-CB 4.3Å; L6-F14 HydrophobicContact CD1-CG 4.49Å
7S86.7Confident82.1Confident61 Ų6182 Ų8243%0.42743%0.428SS..  trans-59.8155.3162.367.20000109.9E9 N10 N11S7-E9 PolarHBondContact O-N 3.35Å; S7-N10 PolarHBondContact O-N 3.33Å; S7-N10 VanDerWaalsContact O-N 3.1Å; S7-N10 WeakPolarHBondContact OG-CB 3.31Å; S7-N10 VanDerWaalsContact OG-CG 3.23Å; S7-N10 PolarHBondContact OG-N 3.02Å; S7-N10 PolarHBondContact OG-ND2 2.75Å; S7-N11 WeakPolarHBondContact O-CB 3.44Å; S7-N11 PolarHBondContact O-N 3.47Å
8T85.8Confident82.7Confident77 Ų7780.6 Ų80.647%0.47242%0.42SS..Hα-helixtrans-48.4-46.1175.7-52.50000111.9N11 D12 Y59T8-N11 PolarHBondContact O-N 3.27Å; T8-D12 PolarHBondContact O-N 2.93Å; T8-Y59 HydrophobicContact CG2-CD1 3.86Å; T8-Y59 HydrophobicContact CG2-CD2 3.51Å; T8-Y59 HydrophobicContact CG2-CE1 4.14Å; T8-Y59 HydrophobicContact CG2-CE2 3.84Å; T8-Y59 HydrophobicContact CG2-CG 3.53Å
9E87Confident83.3Confident115 Ų11576.4 Ų76.454%0.53740%0.398SS..Hα-helixtrans-66.3-44.8179.6-175.3178.4-171.300112.6S7 N11 D12 R13S7-E9 PolarHBondContact O-N 3.35Å; E9-N11 VanDerWaalsContact C-N 3.32Å; E9-N11 PolarHBondContact O-N 3.14Å; E9-D12 PolarHBondContact O-N 2.74Å; E9-R13 WeakPolarHBondContact O-CG 3.36Å; E9-R13 PolarHBondContact O-N 3.5Å; E9-R13 IonicContact OE1-CZ 2.99Å; E9-R13 VanDerWaalsContact OE1-CZ 3.31Å; E9-R13 IonicContact OE1-NE 3.27Å; E9-R13 PolarHBondContact OE1-NE 3.32Å; E9-R13 IonicContact OE1-NH2 2.66Å; E9-R13 PolarHBondContact OE1-NH2 3.23Å
10N89Confident83.8Confident83 Ų8377.2 Ų77.244%0.44440%0.403SS..Hα-helixtrans-66.8-37.2178.8-73.3-16.1000111.4L6 S7 F14L6-N10 HydrophobicContact CB-CB 4.18Å; L6-N10 HydrophobicContact CD2-CB 4.35Å; S7-N10 PolarHBondContact O-N 3.33Å; S7-N10 VanDerWaalsContact O-N 3.1Å; S7-N10 WeakPolarHBondContact OG-CB 3.31Å; S7-N10 VanDerWaalsContact OG-CG 3.23Å; S7-N10 PolarHBondContact OG-N 3.02Å; S7-N10 PolarHBondContact OG-ND2 2.75Å; N10-F14 VanDerWaalsContact O-CB 3.25Å; N10-F14 WeakPolarHBondContact O-CB 3.48Å; N10-F14 PolarHBondContact O-N 3.06Å
11N88Confident84.4Confident1 Ų178.2 Ų78.21%0.00541%0.406CS..Hα-helixtrans-63-46.5175-178.681.7000111.2L6 S7 T8 E9 F14 V15 I57 Y59L6-N11 HydrophobicContact CB-CB 4.03Å; L6-N11 HydrophobicContact CD1-CB 4.4Å; S7-N11 WeakPolarHBondContact O-CB 3.44Å; S7-N11 PolarHBondContact O-N 3.47Å; T8-N11 PolarHBondContact O-N 3.27Å; E9-N11 VanDerWaalsContact C-N 3.32Å; E9-N11 PolarHBondContact O-N 3.14Å; N11-F14 PolarHBondContact O-N 3.03Å; N11-V15 WeakPolarHBondContact O-CB 3.43Å; N11-V15 VanDerWaalsContact O-CG2 3.28Å; N11-V15 WeakPolarHBondContact O-CG2 3.26Å; N11-V15 PolarHBondContact O-N 2.98Å; N11-I57 PolarHBondContact ND2-O 2.89Å; N11-Y59 HydrophobicContact CB-CE2 4.1Å; N11-Y59 WeakPolarHBondContact ND2-CE2 3.47Å
12D87.3Confident86.1Confident28 Ų2870.8 Ų70.815%0.1537%0.37CS..Hα-helixtrans-63.8-45.6177.7-85.24.1000111.8T8 E9 F14 V15 L16 Y59 S60T8-D12 PolarHBondContact O-N 2.93Å; E9-D12 PolarHBondContact O-N 2.74Å; D12-F14 VanDerWaalsContact C-N 3.3Å; D12-F14 PolarHBondContact O-N 3.16Å; D12-V15 PolarHBondContact O-N 3.36Å; D12-L16 VanDerWaalsContact O-CG 3.26Å; D12-L16 WeakPolarHBondContact O-CG 3.45Å; D12-L16 PolarHBondContact O-N 3Å; D12-Y59 WeakPolarHBondContact OD1-CB 3.47Å; D12-Y59 WeakPolarHBondContact OD1-CD2 3.35Å; D12-Y59 PolarHBondContact OD1-N 3.23Å; D12-S60 PolarHBondContact OD2-N 3.05Å
13R90Very high87.8Confident142 Ų14268 Ų6854%0.53636%0.356SS..Hα-helixtrans-58.5-42.8175.2-71.3177.7-176.5-159.32.9112E9 L16 I17E9-R13 WeakPolarHBondContact O-CG 3.36Å; E9-R13 PolarHBondContact O-N 3.5Å; E9-R13 IonicContact OE1-CZ 2.99Å; E9-R13 VanDerWaalsContact OE1-CZ 3.31Å; E9-R13 IonicContact OE1-NE 3.27Å; E9-R13 PolarHBondContact OE1-NE 3.32Å; E9-R13 IonicContact OE1-NH2 2.66Å; E9-R13 PolarHBondContact OE1-NH2 3.23Å; R13-L16 PolarHBondContact O-N 3.34Å; R13-I17 WeakPolarHBondContact O-CG1 3.47Å; R13-I17 PolarHBondContact O-N 3.12Å; R13-I17 VanDerWaalsContact O-N 3.08Å
14F90.6Very high89.3Confident80 Ų8068.9 Ų68.935%0.35136%0.361SS..Hα-helixtrans-62.2-47176.4174.8-105.6000111.9I2 L6 N10 N11 D12 L16 I17 L18I2-F14 HydrophobicContact CD1-CE1 4.08Å; L6-F14 HydrophobicContact CD1-CB 4.3Å; L6-F14 HydrophobicContact CD1-CG 4.49Å; N10-F14 VanDerWaalsContact O-CB 3.25Å; N10-F14 WeakPolarHBondContact O-CB 3.48Å; N10-F14 PolarHBondContact O-N 3.06Å; N11-F14 PolarHBondContact O-N 3.03Å; D12-F14 VanDerWaalsContact C-N 3.3Å; D12-F14 PolarHBondContact O-N 3.16Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 2.77Å; F14-I17 PolarHBondContact O-N 3.46Å; F14-L18 HydrophobicContact CD1-CD1 3.87Å; F14-L18 HydrophobicContact CD1-CG 4.44Å; F14-L18 HydrophobicContact CE1-CD1 3.26Å; F14-L18 HydrophobicContact CE1-CG 4.04Å; F14-L18 HydrophobicContact CE2-CD1 4.28Å; F14-L18 HydrophobicContact CE2-CD2 4.44Å; F14-L18 HydrophobicContact CE2-CG 4.23Å; F14-L18 HydrophobicContact CZ-CD1 3.5Å; F14-L18 HydrophobicContact CZ-CD2 4.2Å; F14-L18 HydrophobicContact CZ-CG 3.93Å; F14-L18 WeakPolarHBondContact O-CG 3.32Å; F14-L18 PolarHBondContact O-N 2.94Å
15V90.6Very high90.5Very high0 Ų068.6 Ų68.60%035%0.348CS..Hα-helixtrans-60.9-40.1176.81690000111.1N11 D12 L18 I19 I57 L62N11-V15 WeakPolarHBondContact O-CB 3.43Å; N11-V15 VanDerWaalsContact O-CG2 3.28Å; N11-V15 WeakPolarHBondContact O-CG2 3.26Å; N11-V15 PolarHBondContact O-N 2.98Å; D12-V15 PolarHBondContact O-N 3.36Å; V15-L18 PolarHBondContact O-N 3.25Å; V15-I19 HydrophobicContact CG1-CD1 3.54Å; V15-I19 HydrophobicContact CG1-CG1 4.23Å; V15-I19 WeakPolarHBondContact O-CB 3.45Å; V15-I19 WeakPolarHBondContact O-CD1 3.46Å; V15-I19 WeakPolarHBondContact O-CG1 3.47Å; V15-I19 PolarHBondContact O-N 3.29Å; V15-I57 HydrophobicContact CG2-CD1 4.05Å; V15-I57 HydrophobicContact CG2-CG1 4.06Å; V15-L62 HydrophobicContact CG1-CD1 4.2Å; V15-L62 HydrophobicContact CG1-CD2 4.37Å
16L91.9Very high91.3Very high45 Ų4565.2 Ų65.224%0.23633%0.326CS..Hα-helixtrans-62.5-43.6176.2-70.3176.8000112.8D12 R13 F14 I19 N20 L62 Y65D12-L16 VanDerWaalsContact O-CG 3.26Å; D12-L16 WeakPolarHBondContact O-CG 3.45Å; D12-L16 PolarHBondContact O-N 3Å; R13-L16 PolarHBondContact O-N 3.34Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 2.77Å; L16-I19 PolarHBondContact O-N 3.22Å; L16-N20 PolarHBondContact O-N 3.01Å; L16-N20 VanDerWaalsContact O-N 3.1Å; L16-N20 PolarHBondContact O-ND2 3.25Å; L16-N20 VanDerWaalsContact O-ND2 3.12Å; L16-L62 HydrophobicContact CD2-CD2 4.46Å; L16-Y65 HydrophobicContact CD2-CD2 4.44Å; L16-Y65 HydrophobicContact CD2-CE1 4.08Å; L16-Y65 HydrophobicContact CD2-CE2 3.61Å; L16-Y65 VanDerWaalsContact CD2-OH 3.28Å; L16-Y65 WeakPolarHBondContact CD2-OH 3.36Å
17I93.7Very high92Very high120 Ų12064.4 Ų64.462%0.61532%0.322SS*.Hα-helixtrans-61.7-46.8175.5-66.8165.7000110.1R13 F14 I19 N20 E21R13-I17 WeakPolarHBondContact O-CG1 3.47Å; R13-I17 PolarHBondContact O-N 3.12Å; R13-I17 VanDerWaalsContact O-N 3.08Å; F14-I17 PolarHBondContact O-N 3.46Å; I17-I19 PolarHBondContact O-N 3.25Å; I17-N20 PolarHBondContact O-N 2.82Å; I17-E21 PolarHBondContact O-N 2.83Å; I17-E21 VanDerWaalsContact O-N 3.11Å
18L92.4Very high92.5Very high57 Ų5764.8 Ų64.830%0.29832%0.317SS..Hα-helixtrans-58.8-45.8177.4-75.7-178.2000112.4F14 V15 N20 E21 I22F14-L18 HydrophobicContact CD1-CD1 3.87Å; F14-L18 HydrophobicContact CD1-CG 4.44Å; F14-L18 HydrophobicContact CE1-CD1 3.26Å; F14-L18 HydrophobicContact CE1-CG 4.04Å; F14-L18 HydrophobicContact CE2-CD1 4.28Å; F14-L18 HydrophobicContact CE2-CD2 4.44Å; F14-L18 HydrophobicContact CE2-CG 4.23Å; F14-L18 HydrophobicContact CZ-CD1 3.5Å; F14-L18 HydrophobicContact CZ-CD2 4.2Å; F14-L18 HydrophobicContact CZ-CG 3.93Å; F14-L18 WeakPolarHBondContact O-CG 3.32Å; F14-L18 PolarHBondContact O-N 2.94Å; V15-L18 PolarHBondContact O-N 3.25Å; L18-N20 PolarHBondContact O-N 3.04Å; L18-E21 PolarHBondContact O-N 3.22Å; L18-I22 HydrophobicContact CB-CD1 4.4Å; L18-I22 WeakPolarHBondContact O-CB 3.25Å; L18-I22 WeakPolarHBondContact O-CD1 3.26Å; L18-I22 WeakPolarHBondContact O-CG1 3.44Å; L18-I22 PolarHBondContact O-N 3.39Å
19I94.4Very high93Very high0 Ų066.3 Ų66.30%032%0.317CS..Hα-helixtrans-59.6-49.3-179.8-73.1161.8000110.7V15 L16 I17 E21 I22 L23 L54 L62 Y65 F66V15-I19 HydrophobicContact CG1-CD1 3.54Å; V15-I19 HydrophobicContact CG1-CG1 4.23Å; V15-I19 WeakPolarHBondContact O-CB 3.45Å; V15-I19 WeakPolarHBondContact O-CD1 3.46Å; V15-I19 WeakPolarHBondContact O-CG1 3.47Å; V15-I19 PolarHBondContact O-N 3.29Å; L16-I19 PolarHBondContact O-N 3.22Å; I17-I19 PolarHBondContact O-N 3.25Å; I19-E21 VanDerWaalsContact C-N 3.31Å; I19-E21 PolarHBondContact O-N 3.34Å; I19-I22 PolarHBondContact O-N 3.42Å; I19-L23 HydrophobicContact CG2-CD1 3.61Å; I19-L23 HydrophobicContact CG2-CG 4.15Å; I19-L23 VanDerWaalsContact O-CB 3.32Å; I19-L23 WeakPolarHBondContact O-CB 3.37Å; I19-L23 VanDerWaalsContact O-CG 3.25Å; I19-L23 WeakPolarHBondContact O-CG 3.27Å; I19-L23 PolarHBondContact O-N 2.9Å; I19-L54 HydrophobicContact CG1-CD1 3.92Å; I19-L54 HydrophobicContact CG1-CD2 4.3Å; I19-L62 HydrophobicContact CD1-CB 4.34Å; I19-L62 HydrophobicContact CD1-CD1 3.43Å; I19-L62 VanDerWaalsContact CD1-CD1 3.43Å; I19-L62 HydrophobicContact CD1-CD2 3.38Å; I19-L62 HydrophobicContact CD1-CG 3.87Å; I19-L62 HydrophobicContact CG1-CD1 4.47Å; I19-Y65 HydrophobicContact CG2-CG 4.16Å; I19-F66 HydrophobicContact CG2-CE2 4.22Å
20N93.9Very high93.4Very high92 Ų9260.9 Ų60.949%0.49229%0.292SS..Hα-helixtrans-59.9-44.7-178.7-73.1-36.2000111.2L16 I17 L18 H24L16-N20 PolarHBondContact O-N 3.01Å; L16-N20 VanDerWaalsContact O-N 3.1Å; L16-N20 PolarHBondContact O-ND2 3.25Å; L16-N20 VanDerWaalsContact O-ND2 3.12Å; I17-N20 PolarHBondContact O-N 2.82Å; L18-N20 PolarHBondContact O-N 3.04Å; N20-H24 WeakPolarHBondContact O-CB 3.49Å; N20-H24 PolarHBondContact O-N 3.16Å
21E96.1Very high93.8Very high99 Ų9960.7 Ų60.746%0.46329%0.288SS..Hα-helixtrans-66.5-47.6178.5-174.256.3-146.900112I17 L18 I19 L23 H24 Q25I17-E21 PolarHBondContact O-N 2.83Å; I17-E21 VanDerWaalsContact O-N 3.11Å; L18-E21 PolarHBondContact O-N 3.22Å; I19-E21 VanDerWaalsContact C-N 3.31Å; I19-E21 PolarHBondContact O-N 3.34Å; E21-L23 PolarHBondContact O-N 3.17Å; E21-H24 PolarHBondContact O-N 2.99Å; E21-Q25 WeakPolarHBondContact O-CG 3.29Å; E21-Q25 PolarHBondContact O-N 3.25Å; E21-Q25 WeakPolarHBondContact OE1-CG 3.32Å; E21-Q25 PolarHBondContact OE1-NE2 3.17Å
22I95.6Very high94.1Very high56 Ų5669.8 Ų69.829%0.28732%0.322SS..Hα-helixtrans-61.2-48.4-179.4-68.4165.4000110.5L18 I19 H24 Q25 L26 L50L18-I22 HydrophobicContact CB-CD1 4.4Å; L18-I22 WeakPolarHBondContact O-CB 3.25Å; L18-I22 WeakPolarHBondContact O-CD1 3.26Å; L18-I22 WeakPolarHBondContact O-CG1 3.44Å; L18-I22 PolarHBondContact O-N 3.39Å; I19-I22 PolarHBondContact O-N 3.42Å; I22-H24 VanDerWaalsContact C-N 3.3Å; I22-H24 PolarHBondContact O-N 3.39Å; I22-Q25 PolarHBondContact O-N 3.07Å; I22-L26 HydrophobicContact CG2-CD1 3.82Å; I22-L26 HydrophobicContact CG2-CG 4.31Å; I22-L26 WeakPolarHBondContact O-CB 3.18Å; I22-L26 VanDerWaalsContact O-CG 3.28Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 3.16Å; I22-L50 HydrophobicContact CG2-CD1 4.42Å; I22-L50 HydrophobicContact CG2-CD2 3.63Å
23L95.7Very high94.6Very high17 Ų1773.4 Ų73.49%0.08934%0.337CS..Hα-helixtrans-64.7-37.1180-67-178.6000111.6I19 E21 L26 D27 Y47 Y65 F66I19-L23 HydrophobicContact CG2-CD1 3.61Å; I19-L23 HydrophobicContact CG2-CG 4.15Å; I19-L23 VanDerWaalsContact O-CB 3.32Å; I19-L23 WeakPolarHBondContact O-CB 3.37Å; I19-L23 VanDerWaalsContact O-CG 3.25Å; I19-L23 WeakPolarHBondContact O-CG 3.27Å; I19-L23 PolarHBondContact O-N 2.9Å; E21-L23 PolarHBondContact O-N 3.17Å; L23-L26 PolarHBondContact O-N 3.44Å; L23-D27 WeakPolarHBondContact O-CB 3.41Å; L23-D27 PolarHBondContact O-N 3.32Å; L23-Y47 HydrophobicContact CD2-CD1 4.45Å; L23-Y47 HydrophobicContact CD2-CE1 3.9Å; L23-Y65 VanDerWaalsContact CD1-O 3.27Å; L23-Y65 WeakPolarHBondContact CD1-O 3.37Å; L23-F66 HydrophobicContact CD1-CD2 4.34Å; L23-F66 HydrophobicContact CD1-CE2 4.34Å; L23-F66 HydrophobicContact CD2-CD1 4.2Å; L23-F66 HydrophobicContact CD2-CE1 3.86Å; L23-F66 HydrophobicContact CD2-CZ 4.02Å
24H95.9Very high94.9Very high96 Ų9670.3 Ų70.344%0.44434%0.337SS..Hα-helixtrans-61.5-48.5175-177.670.7000112N20 E21 I22 L26 D27 Q28N20-H24 WeakPolarHBondContact O-CB 3.49Å; N20-H24 PolarHBondContact O-N 3.16Å; E21-H24 PolarHBondContact O-N 2.99Å; I22-H24 VanDerWaalsContact C-N 3.3Å; I22-H24 PolarHBondContact O-N 3.39Å; H24-L26 PolarHBondContact O-N 2.94Å; H24-D27 PolarHBondContact O-N 2.92Å; H24-Q28 PolarHBondContact NE2-NE2 3.41Å; H24-Q28 WeakPolarHBondContact O-CG 3.38Å; H24-Q28 PolarHBondContact O-N 3.42Å; H24-Q28 VanDerWaalsContact O-N 3.13Å
25Q96.6Very high95.3Very high94 Ų9467.4 Ų67.444%0.43933%0.325SS..Hα-helixtrans-64.5-40.1178.7-66.7-61.1-27.900112.2E21 I22 Q28 F29E21-Q25 WeakPolarHBondContact O-CG 3.29Å; E21-Q25 PolarHBondContact O-N 3.25Å; E21-Q25 WeakPolarHBondContact OE1-CG 3.32Å; E21-Q25 PolarHBondContact OE1-NE2 3.17Å; I22-Q25 PolarHBondContact O-N 3.07Å; Q25-Q28 PolarHBondContact O-N 2.95Å; Q25-F29 WeakPolarHBondContact O-CB 3.37Å; Q25-F29 PolarHBondContact O-N 2.77Å
26L96.2Very high95.6Very high49 Ų4969.1 Ų69.126%0.25734%0.337SS..Hα-helixtrans-64.8-41.4177.2-71.8173.8000112I22 L23 H24 Q28 F29 I30 Y47 L50I22-L26 HydrophobicContact CG2-CD1 3.82Å; I22-L26 HydrophobicContact CG2-CG 4.31Å; I22-L26 WeakPolarHBondContact O-CB 3.18Å; I22-L26 VanDerWaalsContact O-CG 3.28Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 3.16Å; L23-L26 PolarHBondContact O-N 3.44Å; H24-L26 PolarHBondContact O-N 2.94Å; L26-Q28 PolarHBondContact O-N 2.69Å; L26-F29 PolarHBondContact O-N 2.62Å; L26-I30 VanDerWaalsContact O-CG1 3.29Å; L26-I30 WeakPolarHBondContact O-CG1 3.45Å; L26-I30 PolarHBondContact O-N 2.94Å; L26-Y47 VanDerWaalsContact CB-OH 3.31Å; L26-Y47 WeakPolarHBondContact CB-OH 3.4Å; L26-Y47 HydrophobicContact CD1-CE1 3.83Å; L26-L50 HydrophobicContact CD1-CD2 3.69Å
27D95.6Very high95.8Very high40 Ų4070 Ų7021%0.21434%0.337CS..Hα-helixtrans-60.2-46.9176-165.539.5000110.6L23 H24 F29 I30 Q31 I72L23-D27 WeakPolarHBondContact O-CB 3.41Å; L23-D27 PolarHBondContact O-N 3.32Å; H24-D27 PolarHBondContact O-N 2.92Å; D27-F29 VanDerWaalsContact C-N 3.31Å; D27-F29 PolarHBondContact O-N 2.77Å; D27-I30 PolarHBondContact O-N 3.35Å; D27-Q31 WeakPolarHBondContact O-CG 3.24Å; D27-Q31 PolarHBondContact O-N 3.49Å; D27-I72 WeakPolarHBondContact OD1-CD1 3.47Å
28Q95.9Very high96Very high69 Ų6972.5 Ų72.532%0.32234%0.343SS..Hα-helixtrans-60.4-39.2175-67.7-164.48.600113.1H24 Q25 L26 R32H24-Q28 PolarHBondContact NE2-NE2 3.41Å; H24-Q28 WeakPolarHBondContact O-CG 3.38Å; H24-Q28 PolarHBondContact O-N 3.42Å; H24-Q28 VanDerWaalsContact O-N 3.13Å; Q25-Q28 PolarHBondContact O-N 2.95Å; L26-Q28 PolarHBondContact O-N 2.69Å; Q28-R32 WeakPolarHBondContact O-CG 3.38Å
29F95.9Very high96.3Very high110 Ų11071.1 Ų71.148%0.48234%0.343SS..Hα-helixtrans-67.2-42.7179.7-179.9-99000111.8Q25 L26 D27 Q31 R32 K33Q25-F29 WeakPolarHBondContact O-CB 3.37Å; Q25-F29 PolarHBondContact O-N 2.77Å; L26-F29 PolarHBondContact O-N 2.62Å; D27-F29 VanDerWaalsContact C-N 3.31Å; D27-F29 PolarHBondContact O-N 2.77Å; F29-Q31 VanDerWaalsContact C-N 3.32Å; F29-Q31 PolarHBondContact O-N 3.19Å; F29-R32 PolarHBondContact O-N 3.4Å; F29-R32 VanDerWaalsContact O-N 3.16Å; F29-K33 HydrophobicContact CD1-CG 4.4Å; F29-K33 HydrophobicContact CE1-CG 4.03Å; F29-K33 VanDerWaalsContact CE2-CE 3.45Å; F29-K33 HydrophobicContact CE2-CG 4.5Å; F29-K33 HydrophobicContact CZ-CD 4.31Å; F29-K33 HydrophobicContact CZ-CG 4.1Å; F29-K33 WeakPolarHBondContact O-CG 3.42Å
30I97Very high96.5Very high0 Ų071.1 Ų71.10%034%0.343CS..Hα-helixtrans-58-45.8178.3-72.9165.8000110.7L26 D27 R32 K33 F35 L43 Y47 I72 L76 I103 L106L26-I30 VanDerWaalsContact O-CG1 3.29Å; L26-I30 WeakPolarHBondContact O-CG1 3.45Å; L26-I30 PolarHBondContact O-N 2.94Å; D27-I30 PolarHBondContact O-N 3.35Å; I30-R32 PolarHBondContact O-N 3.13Å; I30-K33 PolarHBondContact O-N 3.37Å; I30-F35 HydrophobicContact CB-CZ 4.44Å; I30-F35 HydrophobicContact CG1-CZ 4.26Å; I30-F35 HydrophobicContact CG2-CE2 3.97Å; I30-F35 HydrophobicContact CG2-CZ 4.18Å; I30-L43 HydrophobicContact CD1-CD1 4.41Å; I30-L43 HydrophobicContact CD1-CD2 3.96Å; I30-L43 HydrophobicContact CG1-CD1 4.38Å; I30-L43 HydrophobicContact CG1-CD2 4.09Å; I30-Y47 HydrophobicContact CD1-CE2 3.91Å; I30-Y47 WeakPolarHBondContact CD1-OH 3.39Å; I30-I72 HydrophobicContact CD1-CG2 4.36Å; I30-I72 HydrophobicContact CG2-CG2 4.25Å; I30-L76 HydrophobicContact CG2-CD1 4.15Å; I30-I103 HydrophobicContact CG2-CD1 4.42Å; I30-L106 HydrophobicContact CG2-CD1 3.75Å
31Q95.7Very high96.7Very high80 Ų8070.6 Ų70.637%0.37434%0.339SS..THydrogen-bonded Turntrans-60.7-18.6-178.8-63.5-67.5-1400113.9D27 F29D27-Q31 WeakPolarHBondContact O-CG 3.24Å; D27-Q31 PolarHBondContact O-N 3.49Å; F29-Q31 VanDerWaalsContact C-N 3.32Å; F29-Q31 PolarHBondContact O-N 3.19Å
32R96Very high96.8Very high191 Ų19170.1 Ų70.172%0.72134%0.337SS*.THydrogen-bonded Turntrans-99.86.9-178.4-62.2176-173.4167.38113.2Q28 F29 I30Q28-R32 WeakPolarHBondContact O-CG 3.38Å; F29-R32 PolarHBondContact O-N 3.4Å; F29-R32 VanDerWaalsContact O-N 3.16Å; I30-R32 PolarHBondContact O-N 3.13Å
33K96Very high96.9Very high104 Ų10468.6 Ų68.645%0.45233%0.329SS..  trans-126.3150.9-174.4-64.6-65.2-177.3-1790111.1F29 I30 F35F29-K33 HydrophobicContact CD1-CG 4.4Å; F29-K33 HydrophobicContact CE1-CG 4.03Å; F29-K33 VanDerWaalsContact CE2-CE 3.45Å; F29-K33 HydrophobicContact CE2-CG 4.5Å; F29-K33 HydrophobicContact CZ-CD 4.31Å; F29-K33 HydrophobicContact CZ-CG 4.1Å; F29-K33 WeakPolarHBondContact O-CG 3.42Å; I30-K33 PolarHBondContact O-N 3.37Å; K33-F35 HydrophobicContact CB-CE2 3.82Å; K33-F35 HydrophobicContact CB-CZ 3.88Å
34S97.6Very high97Very high78 Ų7870 Ų7055%0.54534%0.335SS..  trans-103.2139.6167.866.80000109.9L106S34-L106 CarbonylContact C-O 3.47Å; S34-L106 VanDerWaalsContact CA-O 3.26Å; S34-L106 WeakPolarHBondContact CA-O 3.38Å
35F98.2Very high97.1Very high19 Ų1971 Ų718%0.08334%0.339CS..BIsolated β-bridgetrans-113.1140.2-175.9-62.7-93000110.7I30 K33 L43 L76 L106 R108I30-F35 HydrophobicContact CB-CZ 4.44Å; I30-F35 HydrophobicContact CG1-CZ 4.26Å; I30-F35 HydrophobicContact CG2-CE2 3.97Å; I30-F35 HydrophobicContact CG2-CZ 4.18Å; K33-F35 HydrophobicContact CB-CE2 3.82Å; K33-F35 HydrophobicContact CB-CZ 3.88Å; F35-L43 HydrophobicContact CD1-CD2 4.48Å; F35-L43 HydrophobicContact CE1-CB 4.46Å; F35-L43 HydrophobicContact CE1-CD2 3.82Å; F35-L43 HydrophobicContact CZ-CD2 4.1Å; F35-L76 HydrophobicContact CD2-CD1 4.22Å; F35-L76 HydrophobicContact CD2-CD2 4.07Å; F35-L76 HydrophobicContact CE2-CD1 4.26Å; F35-L76 HydrophobicContact CG-CD1 4.48Å; F35-L76 HydrophobicContact CG-CD2 4.45Å; F35-L106 HydrophobicContact CD2-CB 4.02Å; F35-L106 HydrophobicContact CE2-CB 4.47Å; F35-L106 HydrophobicContact CE2-CD1 4.39Å; F35-L106 PolarHBondContact N-O 2.97Å; F35-R108 PolarHBondContact O-N 2.95Å
36S97.7Very high97.1Very high36 Ų3671 Ų7125%0.25234%0.338SS..  trans-91.1169.315348.40000109.1F38 G39 A40 R108S36-F38 VanDerWaalsContact C-N 3.33Å; S36-F38 PolarHBondContact O-N 3.43Å; S36-G39 WeakPolarHBondContact O-CA 3.43Å; S36-G39 PolarHBondContact O-N 3.07Å; S36-A40 PolarHBondContact O-N 3.48Å; S36-R108 VanDerWaalsContact CB-NH2 3.29Å; S36-R108 PolarHBondContact OG-NH2 3Å
37R96.7Very high97.1Very high64 Ų6468.8 Ų68.824%0.24233%0.327CS..Hα-helixtrans-46.4-52171.6-178.259.5171.5-1621.9113.3G39 A40 I41 N77 L78 D79R37-G39 VanDerWaalsContact C-N 3.32Å; R37-G39 PolarHBondContact O-N 3.27Å; R37-A40 PolarHBondContact O-N 3.26Å; R37-I41 HydrophobicContact CG-CD1 4.14Å; R37-I41 WeakPolarHBondContact O-CG1 3.45Å; R37-I41 PolarHBondContact O-N 2.77Å; R37-N77 PolarHBondContact NH1-O 3.21Å; R37-L78 PolarHBondContact NH1-O 2.98Å; R37-D79 IonicContact CZ-OD1 2.82Å; R37-D79 IonicContact CZ-OD2 3.25Å; R37-D79 IonicContact NE-OD1 3.79Å; R37-D79 PolarHBondContact NE-OD1 3.49Å; R37-D79 IonicContact NH1-OD1 3.84Å; R37-D79 PolarHBondContact NH1-OD1 3.34Å; R37-D79 IonicContact NH1-OD2 2.69Å; R37-D79 VanDerWaalsContact NH2-CG 3.27Å; R37-D79 IonicContact NH2-OD1 3.62Å; R37-D79 PolarHBondContact NH2-OD1 3.29Å; R37-D79 IonicContact NH2-OD2 3.8Å; R37-D79 PolarHBondContact NH2-OD2 2.88Å
38F97.7Very high97.2Very high171 Ų17171 Ų7175%0.7534%0.336SS*.Hα-helixtrans-62.8-36.8178.6-62.9-69.9000113.3S36 A40 I41 Q42S36-F38 VanDerWaalsContact C-N 3.33Å; S36-F38 PolarHBondContact O-N 3.43Å; F38-A40 VanDerWaalsContact C-N 3.35Å; F38-I41 PolarHBondContact O-N 3.36Å; F38-Q42 PolarHBondContact O-N 2.66Å
39G97.9Very high97.3Very high28 Ų2871.6 Ų71.629%0.28934%0.341SS..Hα-helixtrans-66.3-37.9176.300000112.4S36 R37 L43S36-G39 WeakPolarHBondContact O-CA 3.43Å; S36-G39 PolarHBondContact O-N 3.07Å; R37-G39 VanDerWaalsContact C-N 3.32Å; R37-G39 PolarHBondContact O-N 3.27Å; G39-L43 WeakPolarHBondContact O-CB 3.49Å; G39-L43 PolarHBondContact O-N 3.19Å
40A98.2Very high97.3Very high0 Ų068.3 Ų68.30%033%0.328CS..Hα-helixtrans-68.6-39.2174.900000112.5S36 R37 F38 L43 E44 L76 N77S36-A40 PolarHBondContact O-N 3.48Å; R37-A40 PolarHBondContact O-N 3.26Å; F38-A40 VanDerWaalsContact C-N 3.35Å; A40-L43 WeakPolarHBondContact O-CB 3.18Å; A40-L43 PolarHBondContact O-N 3.13Å; A40-E44 PolarHBondContact O-N 2.99Å; A40-L76 HydrophobicContact CB-CB 3.77Å; A40-L76 WeakPolarHBondContact CB-O 3.28Å; A40-N77 WeakPolarHBondContact CB-OD1 3.38Å; A40-N77 PolarHBondContact O-ND2 3.08Å
41I98.2Very high97.2Very high82 Ų8270.5 Ų70.542%0.42134%0.338SS..Hα-helixtrans-62.5-45.1174.7-67.4169000110.2R37 F38 L43 E44 K45 N77R37-I41 HydrophobicContact CG-CD1 4.14Å; R37-I41 WeakPolarHBondContact O-CG1 3.45Å; R37-I41 PolarHBondContact O-N 2.77Å; F38-I41 PolarHBondContact O-N 3.36Å; I41-L43 VanDerWaalsContact C-N 3.33Å; I41-L43 PolarHBondContact O-N 2.91Å; I41-E44 PolarHBondContact O-N 3.01Å; I41-K45 PolarHBondContact O-N 3.01Å; I41-K45 VanDerWaalsContact O-N 3.08Å; I41-N77 WeakPolarHBondContact CG1-OD1 3.25Å; I41-N77 PolarHBondContact N-OD1 3.4Å
42Q98Very high97.1Very high89 Ų8969.4 Ų69.442%0.41634%0.343SS..Hα-helixtrans-62.8-41.7176.8-17563.520.700111.4F38 E44 K45 E46F38-Q42 PolarHBondContact O-N 2.66Å; Q42-E44 PolarHBondContact O-N 3Å; Q42-K45 WeakPolarHBondContact O-CB 3.32Å; Q42-K45 PolarHBondContact O-N 3.09Å; Q42-E46 PolarHBondContact NE2-OE1 3.48Å; Q42-E46 WeakPolarHBondContact O-CG 3Å; Q42-E46 PolarHBondContact O-N 2.76Å
43L97.7Very high97Very high24 Ų2467 Ų6713%0.12633%0.334CS..Hα-helixtrans-57.3-50.5176.3-178.670000111.5I30 F35 G39 A40 I41 K45 E46 Y47 L76I30-L43 HydrophobicContact CD1-CD1 4.41Å; I30-L43 HydrophobicContact CD1-CD2 3.96Å; I30-L43 HydrophobicContact CG1-CD1 4.38Å; I30-L43 HydrophobicContact CG1-CD2 4.09Å; F35-L43 HydrophobicContact CD1-CD2 4.48Å; F35-L43 HydrophobicContact CE1-CB 4.46Å; F35-L43 HydrophobicContact CE1-CD2 3.82Å; F35-L43 HydrophobicContact CZ-CD2 4.1Å; G39-L43 WeakPolarHBondContact O-CB 3.49Å; G39-L43 PolarHBondContact O-N 3.19Å; A40-L43 WeakPolarHBondContact O-CB 3.18Å; A40-L43 PolarHBondContact O-N 3.13Å; I41-L43 VanDerWaalsContact C-N 3.33Å; I41-L43 PolarHBondContact O-N 2.91Å; L43-K45 VanDerWaalsContact C-N 3.29Å; L43-K45 PolarHBondContact O-N 2.97Å; L43-E46 PolarHBondContact O-N 3Å; L43-E46 VanDerWaalsContact O-N 3.11Å; L43-Y47 HydrophobicContact CD1-CD2 4.11Å; L43-Y47 HydrophobicContact CD1-CE2 3.77Å; L43-Y47 HydrophobicContact CD2-CE2 4.4Å; L43-Y47 HydrophobicContact CG-CD2 4Å; L43-Y47 HydrophobicContact CG-CE2 3.91Å; L43-Y47 WeakPolarHBondContact O-CD2 3.44Å; L43-Y47 PolarHBondContact O-N 3.29Å; L43-L76 HydrophobicContact CD2-CD1 3.67Å
44E98Very high96.9Very high46 Ų4662.2 Ų62.222%0.21531%0.314CS..Hα-helixtrans-58.8-41.4178.8-177.8169.5-153.600111.8A40 I41 Q42 E46 Y47 H48 C73 N77A40-E44 PolarHBondContact O-N 2.99Å; I41-E44 PolarHBondContact O-N 3.01Å; Q42-E44 PolarHBondContact O-N 3Å; E44-E46 VanDerWaalsContact C-N 3.35Å; E44-E46 PolarHBondContact O-N 3.38Å; E44-Y47 PolarHBondContact O-N 3.03Å; E44-H48 PolarHBondContact O-CD2 3.37Å; E44-H48 PolarHBondContact O-N 3.26Å; E44-H48 IonicContact OE1-NE2 2.65Å; E44-C73 HydrophobicContact CB-CB 3.99Å; E44-C73 HydrophobicContact CG-CB 4.14Å; E44-N77 WeakPolarHBondContact CB-ND2 3.36Å; E44-N77 PolarHBondContact OE2-ND2 3.16Å
45K98.1Very high96.6Very high118 Ų11861.1 Ų61.151%0.51330%0.304SS..Hα-helixtrans-58.9-44.5174.6-174.4-177.1178.1-177.30112I41 Q42 L43 Y47 H48 N49I41-K45 PolarHBondContact O-N 3.01Å; I41-K45 VanDerWaalsContact O-N 3.08Å; Q42-K45 WeakPolarHBondContact O-CB 3.32Å; Q42-K45 PolarHBondContact O-N 3.09Å; L43-K45 VanDerWaalsContact C-N 3.29Å; L43-K45 PolarHBondContact O-N 2.97Å; K45-Y47 VanDerWaalsContact C-N 3.35Å; K45-H48 PolarHBondContact O-N 3.02Å; K45-N49 VanDerWaalsContact O-CG 3.29Å; K45-N49 PolarHBondContact O-N 3Å; K45-N49 PolarHBondContact O-ND2 2.95Å
46E97.2Very high96.3Very high92 Ų9263.8 Ų63.843%0.4333%0.325SS..Hα-helixtrans-64.4-39177.1-64.3-50.1150.500112.2Q42 L43 E44 H48 N49 L50Q42-E46 PolarHBondContact NE2-OE1 3.48Å; Q42-E46 WeakPolarHBondContact O-CG 3Å; Q42-E46 PolarHBondContact O-N 2.76Å; L43-E46 PolarHBondContact O-N 3Å; L43-E46 VanDerWaalsContact O-N 3.11Å; E44-E46 VanDerWaalsContact C-N 3.35Å; E44-E46 PolarHBondContact O-N 3.38Å; E46-H48 VanDerWaalsContact C-N 3.32Å; E46-H48 PolarHBondContact O-N 3.01Å; E46-N49 PolarHBondContact O-N 3.42Å; E46-L50 VanDerWaalsContact O-CB 3.28Å; E46-L50 WeakPolarHBondContact O-CB 3.38Å; E46-L50 PolarHBondContact O-N 3.31Å
47Y97Very high96Very high4 Ų463.5 Ų63.52%0.01632%0.32CS..Hα-helixtrans-61.6-39.9173.1-89.9-81.5000112.6L23 L26 I30 L43 E44 K45 F51 F66 S69 C73L23-Y47 HydrophobicContact CD2-CD1 4.45Å; L23-Y47 HydrophobicContact CD2-CE1 3.9Å; L26-Y47 VanDerWaalsContact CB-OH 3.31Å; L26-Y47 WeakPolarHBondContact CB-OH 3.4Å; L26-Y47 HydrophobicContact CD1-CE1 3.83Å; I30-Y47 HydrophobicContact CD1-CE2 3.91Å; I30-Y47 WeakPolarHBondContact CD1-OH 3.39Å; L43-Y47 HydrophobicContact CD1-CD2 4.11Å; L43-Y47 HydrophobicContact CD1-CE2 3.77Å; L43-Y47 HydrophobicContact CD2-CE2 4.4Å; L43-Y47 HydrophobicContact CG-CD2 4Å; L43-Y47 HydrophobicContact CG-CE2 3.91Å; L43-Y47 WeakPolarHBondContact O-CD2 3.44Å; L43-Y47 PolarHBondContact O-N 3.29Å; E44-Y47 PolarHBondContact O-N 3.03Å; K45-Y47 VanDerWaalsContact C-N 3.35Å; Y47-F51 VanDerWaalsContact O-CB 3.27Å; Y47-F51 WeakPolarHBondContact O-CB 3.31Å; Y47-F51 PolarHBondContact O-N 2.87Å; Y47-F66 HydrophobicContact CD1-CD1 4.26Å; Y47-F66 HydrophobicContact CD1-CE1 4.21Å; Y47-S69 VanDerWaalsContact CE1-CB 3.42Å; Y47-C73 WeakPolarHBondContact CD2-SG 3.38Å
48H96.8Very high95.7Very high87 Ų8760.9 Ų60.940%0.40331%0.312SS..Hα-helixtrans-66.5-42.3175.5-75.4-55.7000112.6E44 K45 E46 F51 A52E44-H48 PolarHBondContact O-CD2 3.37Å; E44-H48 PolarHBondContact O-N 3.26Å; E44-H48 IonicContact OE1-NE2 2.65Å; K45-H48 PolarHBondContact O-N 3.02Å; E46-H48 VanDerWaalsContact C-N 3.32Å; E46-H48 PolarHBondContact O-N 3.01Å; H48-F51 PolarHBondContact O-N 2.74Å; H48-A52 WeakPolarHBondContact O-CB 3.34Å; H48-A52 PolarHBondContact O-N 3.36Å
49N97.1Very high95.2Very high81 Ų8158.3 Ų58.343%0.43330%0.298SS..Hα-helixtrans-61.4-45.9175.5-68.8-22000111.1K45 E46 A52 Y53K45-N49 VanDerWaalsContact O-CG 3.29Å; K45-N49 PolarHBondContact O-N 3Å; K45-N49 PolarHBondContact O-ND2 2.95Å; E46-N49 PolarHBondContact O-N 3.42Å; N49-A52 PolarHBondContact O-N 3Å; N49-Y53 WeakPolarHBondContact O-CB 3.46Å; N49-Y53 PolarHBondContact O-N 3.22Å
50L95.8Very high94.7Very high40 Ų4059.1 Ų59.121%0.20930%0.299CS..Hα-helixtrans-61.6-47177.3176.761.6000111.5I22 L26 E46 A52 Y53 L54 F66I22-L50 HydrophobicContact CG2-CD1 4.42Å; I22-L50 HydrophobicContact CG2-CD2 3.63Å; L26-L50 HydrophobicContact CD1-CD2 3.69Å; E46-L50 VanDerWaalsContact O-CB 3.28Å; E46-L50 WeakPolarHBondContact O-CB 3.38Å; E46-L50 PolarHBondContact O-N 3.31Å; L50-A52 PolarHBondContact O-N 2.99Å; L50-Y53 PolarHBondContact O-N 3.28Å; L50-L54 HydrophobicContact CD1-CD1 3.55Å; L50-L54 HydrophobicContact CD1-CG 4.05Å; L50-L54 HydrophobicContact CG-CD1 3.75Å; L50-L54 WeakPolarHBondContact O-CB 3.31Å; L50-L54 WeakPolarHBondContact O-CG 3.44Å; L50-L54 PolarHBondContact O-N 2.63Å; L50-F66 HydrophobicContact CD2-CE1 4.29Å; L50-F66 HydrophobicContact CD2-CZ 4.38Å; L50-F66 HydrophobicContact CG-CE1 4.29Å; L50-F66 HydrophobicContact CG-CZ 4.19Å
51F95.3Very high94.4Very high46 Ų4663.4 Ų63.420%0.20233%0.329CS..Hα-helixtrans-58.5-46.2176.1175.6-105.5000111.9Y47 H48 T55 L62 F66Y47-F51 VanDerWaalsContact O-CB 3.27Å; Y47-F51 WeakPolarHBondContact O-CB 3.31Å; Y47-F51 PolarHBondContact O-N 2.87Å; H48-F51 PolarHBondContact O-N 2.74Å; F51-T55 VanDerWaalsContact O-CB 3.25Å; F51-T55 WeakPolarHBondContact O-CB 3.18Å; F51-T55 PolarHBondContact O-N 3.43Å; F51-T55 PolarHBondContact O-OG1 2.87Å; F51-L62 HydrophobicContact CE2-CB 4.04Å; F51-F66 HydrophobicContact CB-CD1 3.9Å; F51-F66 HydrophobicContact CB-CE1 3.82Å; F51-F66 HydrophobicContact CB-CG 4.33Å; F51-F66 HydrophobicContact CB-CZ 4.18Å; F51-F66 HydrophobicContact CD2-CB 4.08Å; F51-F66 HydrophobicContact CD2-CD1 4.06Å; F51-F66 AromaticContact CD2-CD2 3.52Å; F51-F66 HydrophobicContact CD2-CD2 3.52Å; F51-F66 HydrophobicContact CD2-CE1 4.41Å; F51-F66 AromaticContact CD2-CE2 3.91Å; F51-F66 HydrophobicContact CD2-CE2 3.91Å; F51-F66 AromaticContact CD2-CG 3.6Å; F51-F66 HydrophobicContact CD2-CG 3.6Å; F51-F66 HydrophobicContact CD2-CZ 4.35Å; F51-F66 HydrophobicContact CE2-CD2 4.17Å; F51-F66 HydrophobicContact CE2-CG 4.38Å; F51-F66 HydrophobicContact CG-CD1 4.39Å; F51-F66 HydrophobicContact CG-CG 4.35Å
52A95Very high94.2Very high58 Ų5859.6 Ų59.648%0.47931%0.31SS..Hα-helixtrans-63.3-44.517900000111.7H48 N49 L50 T55 S56H48-A52 WeakPolarHBondContact O-CB 3.34Å; H48-A52 PolarHBondContact O-N 3.36Å; N49-A52 PolarHBondContact O-N 3Å; L50-A52 PolarHBondContact O-N 2.99Å; A52-T55 PolarHBondContact O-N 2.97Å; A52-S56 PolarHBondContact O-N 3.38Å
53Y93.7Very high93.9Very high139 Ų13963 Ų6355%0.54532%0.319SS..Hα-helixtrans-61.5-51.3176.9175-105.3000111.8N49 L50 T55 S56 I57N49-Y53 WeakPolarHBondContact O-CB 3.46Å; N49-Y53 PolarHBondContact O-N 3.22Å; L50-Y53 PolarHBondContact O-N 3.28Å; Y53-T55 VanDerWaalsContact C-N 3.3Å; Y53-T55 PolarHBondContact O-N 3.34Å; Y53-S56 WeakPolarHBondContact O-CB 3.45Å; Y53-S56 PolarHBondContact O-N 3.27Å; Y53-S56 PolarHBondContact O-OG 3.47Å; Y53-I57 HydrophobicContact CE1-CD1 4.14Å; Y53-I57 HydrophobicContact CE2-CG2 4.4Å; Y53-I57 PolarHBondContact O-N 2.95Å
54L92.4Very high93.7Very high4 Ų467.4 Ų67.42%0.02134%0.343CS..Hα-helixtrans-62.8-38.3-179.9-71.3164000111.8I19 L50 S56 I57 S58 L62 F66I19-L54 HydrophobicContact CG1-CD1 3.92Å; I19-L54 HydrophobicContact CG1-CD2 4.3Å; L50-L54 HydrophobicContact CD1-CD1 3.55Å; L50-L54 HydrophobicContact CD1-CG 4.05Å; L50-L54 HydrophobicContact CG-CD1 3.75Å; L50-L54 WeakPolarHBondContact O-CB 3.31Å; L50-L54 WeakPolarHBondContact O-CG 3.44Å; L50-L54 PolarHBondContact O-N 2.63Å; L54-S56 VanDerWaalsContact C-N 3.31Å; L54-S56 PolarHBondContact O-N 3.46Å; L54-I57 HydrophobicContact CD2-CD1 4.23Å; L54-I57 VanDerWaalsContact O-CG1 3.26Å; L54-I57 WeakPolarHBondContact O-CG1 3.45Å; L54-I57 PolarHBondContact O-N 3.44Å; L54-S58 WeakPolarHBondContact O-CB 3.41Å; L54-S58 PolarHBondContact O-N 3.27Å; L54-L62 VanDerWaalsContact C-CD1 3.49Å; L54-L62 HydrophobicContact CB-CD1 3.67Å; L54-F66 HydrophobicContact CD1-CE2 4.16Å; L54-F66 HydrophobicContact CD1-CZ 3.72Å
55T92.7Very high93.4Very high56 Ų5669.8 Ų69.834%0.34435%0.35SS..Hα-helixtrans-63.2-38.3174.3-59.50000111.2F51 A52 Y53 I57 S58F51-T55 VanDerWaalsContact O-CB 3.25Å; F51-T55 WeakPolarHBondContact O-CB 3.18Å; F51-T55 PolarHBondContact O-N 3.43Å; F51-T55 PolarHBondContact O-OG1 2.87Å; A52-T55 PolarHBondContact O-N 2.97Å; Y53-T55 VanDerWaalsContact C-N 3.3Å; Y53-T55 PolarHBondContact O-N 3.34Å; T55-I57 PolarHBondContact O-N 2.99Å; T55-S58 PolarHBondContact O-N 3.41Å
56S92.1Very high93.3Very high74 Ų7464.2 Ų64.252%0.51733%0.326SS..Hα-helixtrans-64.3-27.3178.281.50000113.3K3 A52 Y53 L54K3-S56 PolarHBondContact NZ-O 3.08Å; A52-S56 PolarHBondContact O-N 3.38Å; Y53-S56 WeakPolarHBondContact O-CB 3.45Å; Y53-S56 PolarHBondContact O-N 3.27Å; Y53-S56 PolarHBondContact O-OG 3.47Å; L54-S56 VanDerWaalsContact C-N 3.31Å; L54-S56 PolarHBondContact O-N 3.46Å
57I90.7Very high93.2Very high31 Ų3160.9 Ų60.916%0.15931%0.312CS..Hα-helixtrans-100.2-9.3179.367.4168000113.8K3 N11 V15 Y53 L54 T55K3-I57 WeakPolarHBondContact CE-O 3.32Å; N11-I57 PolarHBondContact ND2-O 2.89Å; V15-I57 HydrophobicContact CG2-CD1 4.05Å; V15-I57 HydrophobicContact CG2-CG1 4.06Å; Y53-I57 HydrophobicContact CE1-CD1 4.14Å; Y53-I57 HydrophobicContact CE2-CG2 4.4Å; Y53-I57 PolarHBondContact O-N 2.95Å; L54-I57 HydrophobicContact CD2-CD1 4.23Å; L54-I57 VanDerWaalsContact O-CG1 3.26Å; L54-I57 WeakPolarHBondContact O-CG1 3.45Å; L54-I57 PolarHBondContact O-N 3.44Å; T55-I57 PolarHBondContact O-N 2.99Å
58S89.5Confident93.1Very high9 Ų964.2 Ų64.26%0.06333%0.325CS..  trans-86161.7173.1-167.50000111.4K3 L54 T55 S60K3-S58 PolarHBondContact NZ-O 2.62Å; L54-S58 WeakPolarHBondContact O-CB 3.41Å; L54-S58 PolarHBondContact O-N 3.27Å; T55-S58 PolarHBondContact O-N 3.41Å; S58-S60 WeakPolarHBondContact CB-O 3.43Å; S58-S60 PolarHBondContact OG-N 2.97Å; S58-S60 VanDerWaalsContact OG-N 3.14Å; S58-S60 PolarHBondContact OG-O 3.22Å; S58-S60 PolarHBondContact OG-OG 3.34Å
59Y87.6Confident93.1Very high116 Ų11660.5 Ų60.546%0.45531%0.308SS..SBendtrans-101.7-27.6161.2-61.8-90.7000111.8K3 T8 N11 D12K3-Y59 HydrophobicContact CD-CE2 4.49Å; K3-Y59 HydrophobicContact CG-CE2 4.37Å; T8-Y59 HydrophobicContact CG2-CD1 3.86Å; T8-Y59 HydrophobicContact CG2-CD2 3.51Å; T8-Y59 HydrophobicContact CG2-CE1 4.14Å; T8-Y59 HydrophobicContact CG2-CE2 3.84Å; T8-Y59 HydrophobicContact CG2-CG 3.53Å; N11-Y59 HydrophobicContact CB-CE2 4.1Å; N11-Y59 WeakPolarHBondContact ND2-CE2 3.47Å; D12-Y59 WeakPolarHBondContact OD1-CB 3.47Å; D12-Y59 WeakPolarHBondContact OD1-CD2 3.35Å; D12-Y59 PolarHBondContact OD1-N 3.23Å
60S88.5Confident93Very high45 Ų4558.6 Ų58.632%0.31530%0.298SS..SBendtrans-90.9153.9176.960.40000113.1D12 S58D12-S60 PolarHBondContact OD2-N 3.05Å; S58-S60 WeakPolarHBondContact CB-O 3.43Å; S58-S60 PolarHBondContact OG-N 2.97Å; S58-S60 VanDerWaalsContact OG-N 3.14Å; S58-S60 PolarHBondContact OG-O 3.22Å; S58-S60 PolarHBondContact OG-OG 3.34Å
61S91.8Very high93.1Very high91 Ų9157.1 Ų57.164%0.63629%0.29SS*.  trans-66.7130.8173.7174.30000110.9
62L92.4Very high93.2Very high1 Ų155 Ų551%0.00528%0.281CS..  trans-102.65.1-177.9-55.8179.8000113.9V15 L16 I19 F51 L54 D64 Y65V15-L62 HydrophobicContact CG1-CD1 4.2Å; V15-L62 HydrophobicContact CG1-CD2 4.37Å; L16-L62 HydrophobicContact CD2-CD2 4.46Å; I19-L62 HydrophobicContact CD1-CB 4.34Å; I19-L62 HydrophobicContact CD1-CD1 3.43Å; I19-L62 VanDerWaalsContact CD1-CD1 3.43Å; I19-L62 HydrophobicContact CD1-CD2 3.38Å; I19-L62 HydrophobicContact CD1-CG 3.87Å; I19-L62 HydrophobicContact CG1-CD1 4.47Å; F51-L62 HydrophobicContact CE2-CB 4.04Å; L54-L62 VanDerWaalsContact C-CD1 3.49Å; L54-L62 HydrophobicContact CB-CD1 3.67Å; L62-D64 VanDerWaalsContact C-N 3.32Å; L62-D64 PolarHBondContact O-N 2.85Å; L62-Y65 HydrophobicContact CB-CD2 4.41Å; L62-Y65 HydrophobicContact CD2-CD2 4.34Å; L62-Y65 HydrophobicContact CD2-CE2 4.41Å; L62-Y65 PolarHBondContact O-N 3.15Å
63R92.4Very high93.3Very high161 Ų16152.3 Ų52.361%0.60826%0.258SS*.Hα-helixtrans-56.4-43.1-169.1-175.3-177.7-58.8-77.3-1.1113.2Y65 F66 T67R63-Y65 VanDerWaalsContact C-N 3.33Å; R63-Y65 PolarHBondContact O-N 3.29Å; R63-F66 PolarHBondContact O-N 2.9Å; R63-T67 PolarHBondContact O-N 3.13Å; R63-T67 PolarHBondContact O-OG1 3.08Å; R63-T67 VanDerWaalsContact O-OG1 3.09Å
64D92.9Very high93.4Very high117 Ų11751 Ų5163%0.62625%0.252SS*.Hα-helixtrans-67.1-36.2-174.1-67.8-23.7000111.9L62 F66 T67L62-D64 VanDerWaalsContact C-N 3.32Å; L62-D64 PolarHBondContact O-N 2.85Å; D64-F66 VanDerWaalsContact C-N 3.28Å; D64-F66 PolarHBondContact O-N 3.5Å; D64-T67 WeakPolarHBondContact O-CB 3.42Å; D64-T67 PolarHBondContact O-N 3.28Å; D64-T67 PolarHBondContact O-OG1 2.94Å
65Y93.1Very high93.7Very high96 Ų9650.9 Ų50.938%0.37625%0.251SS..Hα-helixtrans-62.8-34.9177.6-57-79.2000112.4L16 I19 L23 L62 R63L16-Y65 HydrophobicContact CD2-CD2 4.44Å; L16-Y65 HydrophobicContact CD2-CE1 4.08Å; L16-Y65 HydrophobicContact CD2-CE2 3.61Å; L16-Y65 VanDerWaalsContact CD2-OH 3.28Å; L16-Y65 WeakPolarHBondContact CD2-OH 3.36Å; I19-Y65 HydrophobicContact CG2-CG 4.16Å; L23-Y65 VanDerWaalsContact CD1-O 3.27Å; L23-Y65 WeakPolarHBondContact CD1-O 3.37Å; L62-Y65 HydrophobicContact CB-CD2 4.41Å; L62-Y65 HydrophobicContact CD2-CD2 4.34Å; L62-Y65 HydrophobicContact CD2-CE2 4.41Å; L62-Y65 PolarHBondContact O-N 3.15Å; R63-Y65 VanDerWaalsContact C-N 3.33Å; R63-Y65 PolarHBondContact O-N 3.29Å
66F95.1Very high93.9Very high1 Ų148.2 Ų48.20%0.00424%0.235CC..Hα-helixtrans-85.5-12.9-179.5-82-102.3000113.8I19 L23 Y47 L50 F51 L54 R63 D64 R68 S69 L70I19-F66 HydrophobicContact CG2-CE2 4.22Å; L23-F66 HydrophobicContact CD1-CD2 4.34Å; L23-F66 HydrophobicContact CD1-CE2 4.34Å; L23-F66 HydrophobicContact CD2-CD1 4.2Å; L23-F66 HydrophobicContact CD2-CE1 3.86Å; L23-F66 HydrophobicContact CD2-CZ 4.02Å; Y47-F66 HydrophobicContact CD1-CD1 4.26Å; Y47-F66 HydrophobicContact CD1-CE1 4.21Å; L50-F66 HydrophobicContact CD2-CE1 4.29Å; L50-F66 HydrophobicContact CD2-CZ 4.38Å; L50-F66 HydrophobicContact CG-CE1 4.29Å; L50-F66 HydrophobicContact CG-CZ 4.19Å; F51-F66 HydrophobicContact CB-CD1 3.9Å; F51-F66 HydrophobicContact CB-CE1 3.82Å; F51-F66 HydrophobicContact CB-CG 4.33Å; F51-F66 HydrophobicContact CB-CZ 4.18Å; F51-F66 HydrophobicContact CD2-CB 4.08Å; F51-F66 HydrophobicContact CD2-CD1 4.06Å; F51-F66 AromaticContact CD2-CD2 3.52Å; F51-F66 HydrophobicContact CD2-CD2 3.52Å; F51-F66 HydrophobicContact CD2-CE1 4.41Å; F51-F66 AromaticContact CD2-CE2 3.91Å; F51-F66 HydrophobicContact CD2-CE2 3.91Å; F51-F66 AromaticContact CD2-CG 3.6Å; F51-F66 HydrophobicContact CD2-CG 3.6Å; F51-F66 HydrophobicContact CD2-CZ 4.35Å; F51-F66 HydrophobicContact CE2-CD2 4.17Å; F51-F66 HydrophobicContact CE2-CG 4.38Å; F51-F66 HydrophobicContact CG-CD1 4.39Å; F51-F66 HydrophobicContact CG-CG 4.35Å; L54-F66 HydrophobicContact CD1-CE2 4.16Å; L54-F66 HydrophobicContact CD1-CZ 3.72Å; R63-F66 PolarHBondContact O-N 2.9Å; D64-F66 VanDerWaalsContact C-N 3.28Å; D64-F66 PolarHBondContact O-N 3.5Å; F66-R68 VanDerWaalsContact C-N 3.34Å; F66-R68 PolarHBondContact O-N 3.41Å; F66-S69 PolarHBondContact O-N 3.09Å; F66-S69 VanDerWaalsContact O-N 3.13Å; F66-L70 HydrophobicContact CB-CD1 4.21Å; F66-L70 HydrophobicContact CB-CG 4.41Å; F66-L70 WeakPolarHBondContact O-CG 3.33Å; F66-L70 PolarHBondContact O-N 3.11Å
67T94.9Very high94.2Very high22 Ų2245.6 Ų45.614%0.13522%0.216CC..Hα-helixtrans-56-46.8-171.6-68.10000112.2R63 D64 L70 Q71 R94R63-T67 PolarHBondContact O-N 3.13Å; R63-T67 PolarHBondContact O-OG1 3.08Å; R63-T67 VanDerWaalsContact O-OG1 3.09Å; D64-T67 WeakPolarHBondContact O-CB 3.42Å; D64-T67 PolarHBondContact O-N 3.28Å; D64-T67 PolarHBondContact O-OG1 2.94Å; T67-L70 PolarHBondContact O-N 3.42Å; T67-Q71 WeakPolarHBondContact O-CG 3.32Å; T67-Q71 PolarHBondContact O-N 3.03Å; T67-Q71 VanDerWaalsContact O-N 3.09Å; T67-R94 HydrophobicContact CG2-CG 4.04Å
68R95.6Very high94.6Very high74 Ų7444.2 Ų44.228%0.27921%0.208SC..Hα-helixtrans-64.7-45.3178.5-178.9177.3163.199.1-1.4112.2F66 L70 Q71 I72 R94 L95 E99F66-R68 VanDerWaalsContact C-N 3.34Å; F66-R68 PolarHBondContact O-N 3.41Å; R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.18Å; R68-Q71 WeakPolarHBondContact O-CB 3.32Å; R68-Q71 PolarHBondContact O-N 3.13Å; R68-I72 PolarHBondContact O-N 3.02Å; R68-I72 VanDerWaalsContact O-N 3.08Å; R68-R94 HydrophobicContact CB-CB 4.08Å; R68-R94 HydrophobicContact CG-CB 4.29Å; R68-R94 PolarHBondContact NH1-O 2.92Å; R68-R94 VanDerWaalsContact NH1-O 3.09Å; R68-L95 HydrophobicContact CG-CD2 3.8Å; R68-E99 IonicContact CZ-OE1 3.83Å; R68-E99 VanDerWaalsContact CZ-OE1 3.27Å; R68-E99 IonicContact CZ-OE2 3.81Å; R68-E99 VanDerWaalsContact NH1-CD 3.29Å; R68-E99 IonicContact NH1-OE1 3.4Å; R68-E99 PolarHBondContact NH1-OE1 3.27Å; R68-E99 IonicContact NH1-OE2 3.43Å; R68-E99 PolarHBondContact NH1-OE2 3.23Å; R68-E99 VanDerWaalsContact NH2-CD 3.31Å; R68-E99 IonicContact NH2-OE1 3.31Å; R68-E99 PolarHBondContact NH2-OE1 3.08Å; R68-E99 IonicContact NH2-OE2 3.28Å
69S96.1Very high94.9Very high8 Ų848.5 Ų48.56%0.05623%0.231CC..Hα-helixtrans-63.9-37.7179.7-67.30000112.5Y47 F66 Q71 I72 C73Y47-S69 VanDerWaalsContact CE1-CB 3.42Å; F66-S69 PolarHBondContact O-N 3.09Å; F66-S69 VanDerWaalsContact O-N 3.13Å; S69-Q71 VanDerWaalsContact C-N 3.35Å; S69-I72 WeakPolarHBondContact O-CB 3.28Å; S69-I72 PolarHBondContact O-N 3.16Å; S69-C73 PolarHBondContact O-N 3.08Å; S69-C73 PolarHBondContact O-SG 3.03Å
70L95.4Very high95.3Very high42 Ų4251.3 Ų51.322%0.2224%0.24CC..Hα-helixtrans-69.4-32.4175.5-68.4174.1000112.2F66 T67 R68 C73 R74F66-L70 HydrophobicContact CB-CD1 4.21Å; F66-L70 HydrophobicContact CB-CG 4.41Å; F66-L70 WeakPolarHBondContact O-CG 3.33Å; F66-L70 PolarHBondContact O-N 3.11Å; T67-L70 PolarHBondContact O-N 3.42Å; R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.18Å; L70-C73 PolarHBondContact O-N 3.37Å; L70-R74 WeakPolarHBondContact O-CB 3.45Å; L70-R74 PolarHBondContact O-N 3.28Å
71Q96.7Very high95.7Very high9 Ų949.2 Ų49.24%0.04223%0.225CC..Hα-helixtrans-64.7-40.2171-73.1167.33.300111.6T67 R68 S69 R74 L75 N92 W93 L95T67-Q71 WeakPolarHBondContact O-CG 3.32Å; T67-Q71 PolarHBondContact O-N 3.03Å; T67-Q71 VanDerWaalsContact O-N 3.09Å; R68-Q71 WeakPolarHBondContact O-CB 3.32Å; R68-Q71 PolarHBondContact O-N 3.13Å; S69-Q71 VanDerWaalsContact C-N 3.35Å; Q71-R74 PolarHBondContact O-N 3.5Å; Q71-L75 WeakPolarHBondContact O-CG 3.28Å; Q71-L75 PolarHBondContact O-N 2.77Å; Q71-N92 PolarHBondContact NE2-O 3.23Å; Q71-W93 HydrophobicContact CB-CZ3 4.3Å; Q71-W93 HydrophobicContact CG-CE3 4.18Å; Q71-W93 HydrophobicContact CG-CZ3 4.1Å; Q71-L95 HydrophobicContact CB-CD1 3.85Å; Q71-L95 HydrophobicContact CB-CG 4.34Å
72I97.6Very high95.9Very high2 Ų249.3 Ų49.31%0.0122%0.216CC..Hα-helixtrans-60.8-48.9173.4-66.2171.5000110.5D27 I30 R68 S69 R74 L75 L76 L95 I103D27-I72 WeakPolarHBondContact OD1-CD1 3.47Å; I30-I72 HydrophobicContact CD1-CG2 4.36Å; I30-I72 HydrophobicContact CG2-CG2 4.25Å; R68-I72 PolarHBondContact O-N 3.02Å; R68-I72 VanDerWaalsContact O-N 3.08Å; S69-I72 WeakPolarHBondContact O-CB 3.28Å; S69-I72 PolarHBondContact O-N 3.16Å; I72-R74 VanDerWaalsContact C-N 3.27Å; I72-R74 PolarHBondContact O-N 3.39Å; I72-L75 PolarHBondContact O-N 3.05Å; I72-L76 HydrophobicContact CG2-CD1 4.04Å; I72-L76 WeakPolarHBondContact O-CG 3.38Å; I72-L76 PolarHBondContact O-N 3.32Å; I72-L95 HydrophobicContact CD1-CD2 4.35Å; I72-L95 HydrophobicContact CG1-CD1 4.05Å; I72-L95 HydrophobicContact CG1-CD2 3.98Å; I72-I103 HydrophobicContact CD1-CD1 4.47Å; I72-I103 HydrophobicContact CG1-CD1 4.37Å; I72-I103 HydrophobicContact CG1-CG1 4.31Å; I72-I103 HydrophobicContact CG2-CD1 3.82Å; I72-I103 HydrophobicContact CG2-CG1 4.26Å; I72-I103 HydrophobicContact CG2-CG2 4Å
73C97.7Very high96.1Very high0 Ų051.6 Ų51.60%023%0.227CC..Hα-helixtrans-56.5-43.8176.1-66.90000111.5E44 Y47 S69 L70 L75 L76 N77E44-C73 HydrophobicContact CB-CB 3.99Å; E44-C73 HydrophobicContact CG-CB 4.14Å; Y47-C73 WeakPolarHBondContact CD2-SG 3.38Å; S69-C73 PolarHBondContact O-N 3.08Å; S69-C73 PolarHBondContact O-SG 3.03Å; L70-C73 PolarHBondContact O-N 3.37Å; C73-L75 PolarHBondContact O-N 2.75Å; C73-L76 CarbonylContact O-C 3.18Å; C73-L76 PolarHBondContact O-N 3.44Å; C73-N77 WeakPolarHBondContact O-CB 3.17Å; C73-N77 PolarHBondContact O-N 3.11Å; C73-N77 PolarHBondContact O-ND2 2.97Å
74R96.6Very high96.3Very high111 Ų11143.9 Ų43.942%0.41920%0.198SC..Hα-helixtrans-63.2-42.5178.4-172.4166.3-65165.70.5113L70 Q71 I72 L76 N77 L78 Y87L70-R74 WeakPolarHBondContact O-CB 3.45Å; L70-R74 PolarHBondContact O-N 3.28Å; Q71-R74 PolarHBondContact O-N 3.5Å; I72-R74 VanDerWaalsContact C-N 3.27Å; I72-R74 PolarHBondContact O-N 3.39Å; R74-L76 VanDerWaalsContact C-N 3.31Å; R74-L76 PolarHBondContact O-N 3.44Å; R74-N77 CarbonylContact O-C 3.46Å; R74-N77 WeakPolarHBondContact O-CA 3.45Å; R74-N77 PolarHBondContact O-N 3.36Å; R74-L78 PolarHBondContact O-N 3.23Å; R74-L78 VanDerWaalsContact O-N 3.15Å; R74-Y87 HydrophobicContact CG-CE1 4.45Å; R74-Y87 HydrophobicContact CG-CE2 4.43Å
75L97.9Very high96.4Very high2 Ų242.3 Ų42.31%0.0119%0.186CC..Hα-helixtrans-60.5-43.4173.7-72.3176.6000111.5Q71 I72 C73 N77 L78 V84 W93 L95 V100 I103 L104Q71-L75 WeakPolarHBondContact O-CG 3.28Å; Q71-L75 PolarHBondContact O-N 2.77Å; I72-L75 PolarHBondContact O-N 3.05Å; C73-L75 PolarHBondContact O-N 2.75Å; L75-N77 PolarHBondContact O-N 3.02Å; L75-L78 HydrophobicContact CD2-CD1 4.11Å; L75-L78 WeakPolarHBondContact O-CG 3.43Å; L75-L78 PolarHBondContact O-N 2.88Å; L75-V84 HydrophobicContact CD2-CB 4.45Å; L75-V84 HydrophobicContact CD2-CG2 3.7Å; L75-W93 HydrophobicContact CD1-CH2 4.21Å; L75-W93 HydrophobicContact CD1-CZ2 4.29Å; L75-W93 HydrophobicContact CD2-CH2 3.88Å; L75-W93 HydrophobicContact CD2-CZ2 4.41Å; L75-W93 HydrophobicContact CG-CH2 4.06Å; L75-L95 HydrophobicContact CD1-CD1 3.44Å; L75-L95 VanDerWaalsContact CD1-CD1 3.44Å; L75-L95 HydrophobicContact CG-CD1 4.45Å; L75-V100 HydrophobicContact CD1-CB 4.32Å; L75-V100 HydrophobicContact CD1-CG1 4.12Å; L75-V100 HydrophobicContact CD1-CG2 4.05Å; L75-V100 HydrophobicContact CD2-CG1 4.14Å; L75-I103 HydrophobicContact CB-CG2 3.81Å; L75-I103 HydrophobicContact CD1-CB 4.28Å; L75-I103 HydrophobicContact CD1-CG2 4.07Å; L75-L104 HydrophobicContact CB-CD2 4.25Å; L75-L104 HydrophobicContact CD2-CD2 4.34Å
76L98.1Very high96.3Very high0 Ų046.9 Ų46.90%020%0.204CC..Hα-helixtrans-68.8-18.6175.1-65.7171.8000112.4I30 F35 A40 L43 I72 C73 R74 I103 L106 R107I30-L76 HydrophobicContact CG2-CD1 4.15Å; F35-L76 HydrophobicContact CD2-CD1 4.22Å; F35-L76 HydrophobicContact CD2-CD2 4.07Å; F35-L76 HydrophobicContact CE2-CD1 4.26Å; F35-L76 HydrophobicContact CG-CD1 4.48Å; F35-L76 HydrophobicContact CG-CD2 4.45Å; A40-L76 HydrophobicContact CB-CB 3.77Å; A40-L76 WeakPolarHBondContact CB-O 3.28Å; L43-L76 HydrophobicContact CD2-CD1 3.67Å; I72-L76 HydrophobicContact CG2-CD1 4.04Å; I72-L76 WeakPolarHBondContact O-CG 3.38Å; I72-L76 PolarHBondContact O-N 3.32Å; C73-L76 CarbonylContact O-C 3.18Å; C73-L76 PolarHBondContact O-N 3.44Å; R74-L76 VanDerWaalsContact C-N 3.31Å; R74-L76 PolarHBondContact O-N 3.44Å; L76-I103 HydrophobicContact CD2-CG2 3.91Å; L76-I103 WeakPolarHBondContact CD2-O 3.35Å; L76-I103 HydrophobicContact CG-CG2 3.85Å; L76-L106 HydrophobicContact CD2-CB 4.1Å; L76-R107 HydrophobicContact CD2-CG 4.1Å; L76-R107 WeakPolarHBondContact O-CD 3.34Å; L76-R107 PolarHBondContact O-NH1 3.27Å
77N97.9Very high96.1Very high20 Ų2050.6 Ų50.611%0.10722%0.219CC..THydrogen-bonded Turntrans-105.528.2174.2-77.4-45.1000112.8R37 A40 I41 E44 C73 R74 L75R37-N77 PolarHBondContact NH1-O 3.21Å; A40-N77 WeakPolarHBondContact CB-OD1 3.38Å; A40-N77 PolarHBondContact O-ND2 3.08Å; I41-N77 WeakPolarHBondContact CG1-OD1 3.25Å; I41-N77 PolarHBondContact N-OD1 3.4Å; E44-N77 WeakPolarHBondContact CB-ND2 3.36Å; E44-N77 PolarHBondContact OE2-ND2 3.16Å; C73-N77 WeakPolarHBondContact O-CB 3.17Å; C73-N77 PolarHBondContact O-N 3.11Å; C73-N77 PolarHBondContact O-ND2 2.97Å; R74-N77 CarbonylContact O-C 3.46Å; R74-N77 WeakPolarHBondContact O-CA 3.45Å; R74-N77 PolarHBondContact O-N 3.36Å; L75-N77 PolarHBondContact O-N 3.02Å
78L97.8Very high95.9Very high2 Ų251.4 Ų51.41%0.0122%0.219CC..  trans-77.6146.1163.3-61.4-178.3000110.8R37 R74 L75 E83 V84 Y87 L104 R107 F110R37-L78 PolarHBondContact NH1-O 2.98Å; R74-L78 PolarHBondContact O-N 3.23Å; R74-L78 VanDerWaalsContact O-N 3.15Å; L75-L78 HydrophobicContact CD2-CD1 4.11Å; L75-L78 WeakPolarHBondContact O-CG 3.43Å; L75-L78 PolarHBondContact O-N 2.88Å; L78-E83 HydrophobicContact CB-CB 4.5Å; L78-E83 HydrophobicContact CD1-CB 4.29Å; L78-E83 HydrophobicContact CD2-CB 3.86Å; L78-E83 HydrophobicContact CG-CB 4.43Å; L78-V84 HydrophobicContact CD1-CB 4.07Å; L78-Y87 HydrophobicContact CD2-CD2 4.11Å; L78-Y87 HydrophobicContact CD2-CE2 3.6Å; L78-L104 HydrophobicContact CD1-CD2 4.11Å; L78-R107 PolarHBondContact O-NH1 3.19Å; L78-R107 PolarHBondContact O-NH2 3.1Å; L78-F110 HydrophobicContact CB-CE2 4.43Å; L78-F110 HydrophobicContact CB-CZ 4.02Å; L78-F110 WeakPolarHBondContact O-CZ 3.43Å
79D96.7Very high95.5Very high99 Ų9954.7 Ų54.753%0.52924%0.243SC..SBendtrans-82.8-32.4171.5-71.8-60.7000110.2R37 E83R37-D79 IonicContact CZ-OD1 2.82Å; R37-D79 IonicContact CZ-OD2 3.25Å; R37-D79 IonicContact NE-OD1 3.79Å; R37-D79 PolarHBondContact NE-OD1 3.49Å; R37-D79 IonicContact NH1-OD1 3.84Å; R37-D79 PolarHBondContact NH1-OD1 3.34Å; R37-D79 IonicContact NH1-OD2 2.69Å; R37-D79 VanDerWaalsContact NH2-CG 3.27Å; R37-D79 IonicContact NH2-OD1 3.62Å; R37-D79 PolarHBondContact NH2-OD1 3.29Å; R37-D79 IonicContact NH2-OD2 3.8Å; R37-D79 PolarHBondContact NH2-OD2 2.88Å; D79-E83 PolarHBondContact N-OE2 3.49Å
80R96.5Very high95.2Very high175 Ų17556.3 Ų56.366%0.6625%0.254SS*.SBendtrans-137.1149.9176.3-56.2-176.8179.1-178.8-0.5111.8E82 E83R80-E82 WeakPolarHBondContact CB-OE2 3.46Å; R80-E82 PolarHBondContact O-N 2.98Å; R80-E83 HydrophobicContact CB-CG 4.27Å; R80-E83 PolarHBondContact N-OE2 3.38Å; R80-E83 WeakPolarHBondContact O-CB 3.27Å; R80-E83 PolarHBondContact O-N 3.32Å
81V97.1Very high94.8Very high0 Ų060.7 Ų60.70%029%0.288CS..G310 helixtrans-59.5-36.1-177.5174.90000111.7E83 V84 L104 F110 E114 I115 L118V81-E83 PolarHBondContact O-N 3.38Å; V81-V84 VanDerWaalsContact O-CG1 3.24Å; V81-V84 WeakPolarHBondContact O-CG1 3.38Å; V81-V84 PolarHBondContact O-N 3.41Å; V81-L104 HydrophobicContact CG1-CD1 4.31Å; V81-F110 HydrophobicContact CG2-CB 3.73Å; V81-F110 HydrophobicContact CG2-CD1 3.85Å; V81-F110 HydrophobicContact CG2-CD2 3.67Å; V81-F110 HydrophobicContact CG2-CE1 4.33Å; V81-F110 HydrophobicContact CG2-CE2 4.17Å; V81-F110 HydrophobicContact CG2-CG 3.48Å; V81-F110 VanDerWaalsContact CG2-CG 3.48Å; V81-F110 HydrophobicContact CG2-CZ 4.47Å; V81-E114 HydrophobicContact CB-CB 4.09Å; V81-E114 HydrophobicContact CG1-CB 4.19Å; V81-E114 HydrophobicContact CG2-CB 4.05Å; V81-I115 HydrophobicContact CG1-CG1 4.1Å; V81-I115 HydrophobicContact CG2-CG1 4.13Å; V81-L118 HydrophobicContact CG1-CD1 3.58Å; V81-L118 HydrophobicContact CG1-CD2 3.89Å; V81-L118 HydrophobicContact CG1-CG 3.71Å
82E95.8Very high94.4Very high93 Ų9364.2 Ų64.244%0.43531%0.307SS..G310 helixtrans-67-22.7-177.1-59.472.3-153.900113.3R80 V84 H85R80-E82 WeakPolarHBondContact CB-OE2 3.46Å; R80-E82 PolarHBondContact O-N 2.98Å; E82-V84 PolarHBondContact O-N 2.87Å; E82-H85 PolarHBondContact O-CD2 2.9Å; E82-H85 PolarHBondContact O-N 3.27Å; E82-H85 VanDerWaalsContact O-N 3.13Å
83E95.9Very high94.2Very high49 Ų4966 Ų6623%0.22931%0.314CS..G310 helixtrans-63.4-16.4-179.7-67.4173.4176.100112.7L78 D79 R80 V81 H85 Y86 Y87L78-E83 HydrophobicContact CB-CB 4.5Å; L78-E83 HydrophobicContact CD1-CB 4.29Å; L78-E83 HydrophobicContact CD2-CB 3.86Å; L78-E83 HydrophobicContact CG-CB 4.43Å; D79-E83 PolarHBondContact N-OE2 3.49Å; R80-E83 HydrophobicContact CB-CG 4.27Å; R80-E83 PolarHBondContact N-OE2 3.38Å; R80-E83 WeakPolarHBondContact O-CB 3.27Å; R80-E83 PolarHBondContact O-N 3.32Å; V81-E83 PolarHBondContact O-N 3.38Å; E83-H85 PolarHBondContact O-N 3.45Å; E83-H85 VanDerWaalsContact O-N 3.13Å; E83-Y86 HydrophobicContact CB-CD2 3.99Å; E83-Y86 HydrophobicContact CB-CE2 4.33Å; E83-Y86 HydrophobicContact CG-CD2 4.28Å; E83-Y86 HydrophobicContact CG-CE2 4.15Å; E83-Y86 WeakPolarHBondContact O-CB 3.36Å; E83-Y86 WeakPolarHBondContact O-CD2 3.42Å; E83-Y86 PolarHBondContact O-N 3.1Å; E83-Y87 WeakPolarHBondContact O-CD2 3.45Å
84V96.4Very high94.1Very high0 Ų073.1 Ų73.10%034%0.34CS..G310 helixtrans-53.3-32.6172.871.90000112.4L75 L78 V81 E82 Y86 Y87 W88 V100 L118 L120L75-V84 HydrophobicContact CD2-CB 4.45Å; L75-V84 HydrophobicContact CD2-CG2 3.7Å; L78-V84 HydrophobicContact CD1-CB 4.07Å; V81-V84 VanDerWaalsContact O-CG1 3.24Å; V81-V84 WeakPolarHBondContact O-CG1 3.38Å; V81-V84 PolarHBondContact O-N 3.41Å; E82-V84 PolarHBondContact O-N 2.87Å; V84-Y86 PolarHBondContact O-N 3.12Å; V84-Y87 PolarHBondContact O-N 3.26Å; V84-W88 PolarHBondContact O-N 3.22Å; V84-V100 HydrophobicContact CG2-CG1 3.77Å; V84-L118 HydrophobicContact CG1-CD1 3.92Å; V84-L118 HydrophobicContact CG1-CD2 3.49Å; V84-L118 VanDerWaalsContact CG1-CD2 3.49Å; V84-L118 HydrophobicContact CG1-CG 4.32Å; V84-L120 HydrophobicContact CG1-CD2 4.1Å; V84-L120 HydrophobicContact CG2-CD2 4.45Å
85H94.7Very high94.1Very high83 Ų8368.1 Ų68.138%0.38432%0.322SS..Hα-helixtrans-65.2-24.5-179.6-72.2-63000113.3E82 E83 Y87 K119E82-H85 PolarHBondContact O-CD2 2.9Å; E82-H85 PolarHBondContact O-N 3.27Å; E82-H85 VanDerWaalsContact O-N 3.13Å; E83-H85 PolarHBondContact O-N 3.45Å; E83-H85 VanDerWaalsContact O-N 3.13Å; H85-Y87 PolarHBondContact O-N 3.34Å; H85-K119 PolarHBondContact CE1-O 3.27Å
86Y92.3Very high93.9Very high193 Ų19371.8 Ų71.876%0.75735%0.345SS*.Hα-helixtrans-69.1-22.3173.9-61.5-61.8000112.8E83 V84E83-Y86 HydrophobicContact CB-CD2 3.99Å; E83-Y86 HydrophobicContact CB-CE2 4.33Å; E83-Y86 HydrophobicContact CG-CD2 4.28Å; E83-Y86 HydrophobicContact CG-CE2 4.15Å; E83-Y86 WeakPolarHBondContact O-CB 3.36Å; E83-Y86 WeakPolarHBondContact O-CD2 3.42Å; E83-Y86 PolarHBondContact O-N 3.1Å; V84-Y86 PolarHBondContact O-N 3.12Å
87Y91.5Very high93.8Very high79 Ų7973 Ų7331%0.3136%0.355SS..Hα-helixtrans-109.9-27.1-176-54.3-73.9000113.5R74 L78 E83 V84 H85 N89 S90R74-Y87 HydrophobicContact CG-CE1 4.45Å; R74-Y87 HydrophobicContact CG-CE2 4.43Å; L78-Y87 HydrophobicContact CD2-CD2 4.11Å; L78-Y87 HydrophobicContact CD2-CE2 3.6Å; E83-Y87 WeakPolarHBondContact O-CD2 3.45Å; V84-Y87 PolarHBondContact O-N 3.26Å; H85-Y87 PolarHBondContact O-N 3.34Å; Y87-N89 VanDerWaalsContact C-N 3.25Å; Y87-N89 PolarHBondContact O-N 3.49Å; Y87-N89 VanDerWaalsContact O-N 3.16Å; Y87-S90 WeakPolarHBondContact O-CB 3.31Å; Y87-S90 PolarHBondContact O-N 3.42Å; Y87-S90 PolarHBondContact O-OG 3.49Å
88W90.4Very high93.7Very high38 Ų3878.7 Ų78.714%0.14438%0.38CS..Hα-helixtrans-53-39.3-173.3-178.4-109.8000113.9V84 S90 W93 A97 V100 L120 Q121V84-W88 PolarHBondContact O-N 3.22Å; W88-S90 VanDerWaalsContact C-N 3.28Å; W88-S90 PolarHBondContact O-N 2.69Å; W88-W93 AromaticContact CE3-CE2 3.85Å; W88-W93 HydrophobicContact CE3-CZ2 4.19Å; W88-W93 AromaticContact CE3-NE1 3.44Å; W88-W93 AromaticContact CZ3-CD1 3.95Å; W88-W93 HydrophobicContact CZ3-CZ2 4.46Å; W88-W93 AromaticContact CZ3-NE1 3.25Å; W88-A97 HydrophobicContact CH2-CB 3.9Å; W88-A97 HydrophobicContact CZ2-CB 4.39Å; W88-V100 HydrophobicContact CE3-CG2 4.29Å; W88-V100 HydrophobicContact CZ3-CG2 3.77Å; W88-L120 HydrophobicContact CB-CD2 4.46Å; W88-L120 HydrophobicContact CD2-CB 4.35Å; W88-L120 HydrophobicContact CD2-CD2 3.83Å; W88-L120 HydrophobicContact CE3-CD1 4.41Å; W88-L120 HydrophobicContact CE3-CD2 4.09Å; W88-L120 HydrophobicContact CG-CD2 3.98Å; W88-L120 HydrophobicContact CH2-CB 4.21Å; W88-L120 HydrophobicContact CZ2-CB 3.92Å; W88-L120 HydrophobicContact CZ3-CD1 4.36Å; W88-Q121 WeakPolarHBondContact CZ2-O 3.36Å; W88-Q121 PolarHBondContact NE1-O 3.09Å
89N86.6Confident93.6Very high144 Ų14480.9 Ų80.977%0.7739%0.391SS*.THydrogen-bonded Turntrans-87.813.2-176.9-65.2-31.2000113.7Y87Y87-N89 VanDerWaalsContact C-N 3.25Å; Y87-N89 PolarHBondContact O-N 3.49Å; Y87-N89 VanDerWaalsContact O-N 3.16Å
90S88.9Confident93.7Very high42 Ų4276.2 Ų76.229%0.29437%0.366SS..  trans-74137.7179.481.30000111.3Y87 W88 N92 W93Y87-S90 WeakPolarHBondContact O-CB 3.31Å; Y87-S90 PolarHBondContact O-N 3.42Å; Y87-S90 PolarHBondContact O-OG 3.49Å; W88-S90 VanDerWaalsContact C-N 3.28Å; W88-S90 PolarHBondContact O-N 2.69Å; S90-N92 VanDerWaalsContact CB-OD1 3.31Å; S90-N92 WeakPolarHBondContact CB-OD1 3.47Å; S90-N92 PolarHBondContact O-N 3.43Å; S90-N92 VanDerWaalsContact O-N 3.08Å; S90-N92 PolarHBondContact OG-OD1 3.36Å; S90-W93 VanDerWaalsContact O-CB 3.28Å; S90-W93 WeakPolarHBondContact O-CB 3.37Å; S90-W93 PolarHBondContact O-N 2.94Å
91S87Confident93.7Very high134 Ų13471.2 Ų71.294%0.93735%0.347SS*.THydrogen-bonded Turntrans-62.4-19.7-17856.30000114.2
92N89.6Confident93.7Very high83 Ų8372.7 Ų72.744%0.44436%0.357SS..THydrogen-bonded Turntrans-97.97.9179.366.2-19.4000113.5Q71 S90 R94Q71-N92 PolarHBondContact NE2-O 3.23Å; S90-N92 VanDerWaalsContact CB-OD1 3.31Å; S90-N92 WeakPolarHBondContact CB-OD1 3.47Å; S90-N92 PolarHBondContact O-N 3.43Å; S90-N92 VanDerWaalsContact O-N 3.08Å; S90-N92 PolarHBondContact OG-OD1 3.36Å; N92-R94 WeakPolarHBondContact O-CG 3.44Å
93W93.8Very high93.8Very high40 Ų4068.3 Ų68.315%0.15234%0.337CS..  trans-64.1134.3-178.8-165.6-100.8000112.3Q71 L75 W88 S90 L95 V100Q71-W93 HydrophobicContact CB-CZ3 4.3Å; Q71-W93 HydrophobicContact CG-CE3 4.18Å; Q71-W93 HydrophobicContact CG-CZ3 4.1Å; L75-W93 HydrophobicContact CD1-CH2 4.21Å; L75-W93 HydrophobicContact CD1-CZ2 4.29Å; L75-W93 HydrophobicContact CD2-CH2 3.88Å; L75-W93 HydrophobicContact CD2-CZ2 4.41Å; L75-W93 HydrophobicContact CG-CH2 4.06Å; W88-W93 AromaticContact CE3-CE2 3.85Å; W88-W93 HydrophobicContact CE3-CZ2 4.19Å; W88-W93 AromaticContact CE3-NE1 3.44Å; W88-W93 AromaticContact CZ3-CD1 3.95Å; W88-W93 HydrophobicContact CZ3-CZ2 4.46Å; W88-W93 AromaticContact CZ3-NE1 3.25Å; S90-W93 VanDerWaalsContact O-CB 3.28Å; S90-W93 WeakPolarHBondContact O-CB 3.37Å; S90-W93 PolarHBondContact O-N 2.94Å; W93-L95 HydrophobicContact CH2-CD1 4.3Å; W93-L95 HydrophobicContact CZ2-CB 3.98Å; W93-L95 HydrophobicContact CZ2-CD1 3.94Å; W93-L95 HydrophobicContact CZ2-CG 4.38Å; W93-L95 PolarHBondContact NE1-O 2.96Å; W93-V100 HydrophobicContact CZ2-CG2 3.64Å
94R95.1Very high93.9Very high148 Ų14866 Ų6656%0.55833%0.326SS*.  trans-125.15-173.1-56.5-62.8-170.1162.82.9113.9T67 R68 N92T67-R94 HydrophobicContact CG2-CG 4.04Å; R68-R94 HydrophobicContact CB-CB 4.08Å; R68-R94 HydrophobicContact CG-CB 4.29Å; R68-R94 PolarHBondContact NH1-O 2.92Å; R68-R94 VanDerWaalsContact NH1-O 3.09Å; N92-R94 WeakPolarHBondContact O-CG 3.44Å
95L95.6Very high93.9Very high7 Ų769.5 Ų69.54%0.03735%0.35CS..  trans-109.6134.3-176.6-58.8174000110.8R68 Q71 I72 L75 W93 E99 V100R68-L95 HydrophobicContact CG-CD2 3.8Å; Q71-L95 HydrophobicContact CB-CD1 3.85Å; Q71-L95 HydrophobicContact CB-CG 4.34Å; I72-L95 HydrophobicContact CD1-CD2 4.35Å; I72-L95 HydrophobicContact CG1-CD1 4.05Å; I72-L95 HydrophobicContact CG1-CD2 3.98Å; L75-L95 HydrophobicContact CD1-CD1 3.44Å; L75-L95 VanDerWaalsContact CD1-CD1 3.44Å; L75-L95 HydrophobicContact CG-CD1 4.45Å; W93-L95 HydrophobicContact CH2-CD1 4.3Å; W93-L95 HydrophobicContact CZ2-CB 3.98Å; W93-L95 HydrophobicContact CZ2-CD1 3.94Å; W93-L95 HydrophobicContact CZ2-CG 4.38Å; W93-L95 PolarHBondContact NE1-O 2.96Å; L95-E99 WeakPolarHBondContact CA-OE2 3.37Å; L95-E99 HydrophobicContact CB-CB 4.45Å; L95-V100 HydrophobicContact CB-CG2 3.91Å
96T95.3Very high94.1Very high78 Ų7866.5 Ų66.548%0.47934%0.337SS..  trans-73.4159.4171.566.40000111H98 E99 V100T96-H98 PolarHBondContact O-N 3.24Å; T96-H98 VanDerWaalsContact O-N 3.17Å; T96-E99 PolarHBondContact N-OE2 2.89Å; T96-E99 PolarHBondContact O-N 2.93Å; T96-E99 VanDerWaalsContact O-N 3.07Å; T96-E99 VanDerWaalsContact OG1-CG 3.26Å; T96-E99 WeakPolarHBondContact OG1-CG 3.26Å; T96-E99 PolarHBondContact OG1-N 3.47Å; T96-E99 PolarHBondContact OG1-OE2 3.41Å; T96-V100 WeakPolarHBondContact O-CG2 3.27Å; T96-V100 PolarHBondContact O-N 3.41Å
97A95.4Very high94.4Very high26 Ų2657.6 Ų57.622%0.21530%0.302CS..Hα-helixtrans-57.3-33.3177.200000112.8W88 R101 L120W88-A97 HydrophobicContact CH2-CB 3.9Å; W88-A97 HydrophobicContact CZ2-CB 4.39Å; A97-R101 WeakPolarHBondContact O-CG 3.17Å; A97-R101 PolarHBondContact O-N 3.36Å; A97-R101 VanDerWaalsContact O-N 3.16Å; A97-L120 HydrophobicContact CB-CB 3.77Å; A97-L120 HydrophobicContact CB-CD1 4.34Å
98H95.5Very high94.6Very high139 Ų13962 Ų6264%0.64432%0.318SS*.Hα-helixtrans-67.6-44.7175.9179.164.6000112.1T96 V100 R101 S102T96-H98 PolarHBondContact O-N 3.24Å; T96-H98 VanDerWaalsContact O-N 3.17Å; H98-V100 VanDerWaalsContact C-N 3.34Å; H98-R101 PolarHBondContact O-N 3.33Å; H98-S102 WeakPolarHBondContact O-CB 3.46Å; H98-S102 PolarHBondContact O-N 3.27Å; H98-S102 PolarHBondContact O-OG 3.32Å
99E96.1Very high94.9Very high49 Ų4964.4 Ų64.423%0.22933%0.334CS..Hα-helixtrans-62.9-43176.2-70.7167.5144.900110.9R68 L95 T96 R101 S102 I103R68-E99 IonicContact CZ-OE1 3.83Å; R68-E99 VanDerWaalsContact CZ-OE1 3.27Å; R68-E99 IonicContact CZ-OE2 3.81Å; R68-E99 VanDerWaalsContact NH1-CD 3.29Å; R68-E99 IonicContact NH1-OE1 3.4Å; R68-E99 PolarHBondContact NH1-OE1 3.27Å; R68-E99 IonicContact NH1-OE2 3.43Å; R68-E99 PolarHBondContact NH1-OE2 3.23Å; R68-E99 VanDerWaalsContact NH2-CD 3.31Å; R68-E99 IonicContact NH2-OE1 3.31Å; R68-E99 PolarHBondContact NH2-OE1 3.08Å; R68-E99 IonicContact NH2-OE2 3.28Å; L95-E99 WeakPolarHBondContact CA-OE2 3.37Å; L95-E99 HydrophobicContact CB-CB 4.45Å; T96-E99 PolarHBondContact N-OE2 2.89Å; T96-E99 PolarHBondContact O-N 2.93Å; T96-E99 VanDerWaalsContact O-N 3.07Å; T96-E99 VanDerWaalsContact OG1-CG 3.26Å; T96-E99 WeakPolarHBondContact OG1-CG 3.26Å; T96-E99 PolarHBondContact OG1-N 3.47Å; T96-E99 PolarHBondContact OG1-OE2 3.41Å; E99-R101 PolarHBondContact O-N 2.87Å; E99-S102 PolarHBondContact O-N 3.27Å; E99-S102 VanDerWaalsContact O-N 3.17Å; E99-I103 VanDerWaalsContact O-CG1 3.32Å; E99-I103 WeakPolarHBondContact O-CG1 3.25Å; E99-I103 PolarHBondContact O-N 2.96Å
100V97.2Very high95.4Very high0 Ų058.4 Ų58.40%030%0.301CS..Hα-helixtrans-56.4-50.4176.5174.90000111.4L75 V84 W88 W93 L95 T96 H98 S102 I103 L104 L120L75-V100 HydrophobicContact CD1-CB 4.32Å; L75-V100 HydrophobicContact CD1-CG1 4.12Å; L75-V100 HydrophobicContact CD1-CG2 4.05Å; L75-V100 HydrophobicContact CD2-CG1 4.14Å; V84-V100 HydrophobicContact CG2-CG1 3.77Å; W88-V100 HydrophobicContact CE3-CG2 4.29Å; W88-V100 HydrophobicContact CZ3-CG2 3.77Å; W93-V100 HydrophobicContact CZ2-CG2 3.64Å; L95-V100 HydrophobicContact CB-CG2 3.91Å; T96-V100 WeakPolarHBondContact O-CG2 3.27Å; T96-V100 PolarHBondContact O-N 3.41Å; H98-V100 VanDerWaalsContact C-N 3.34Å; V100-S102 VanDerWaalsContact C-N 3.29Å; V100-S102 PolarHBondContact O-N 2.63Å; V100-I103 PolarHBondContact O-N 2.8Å; V100-L104 HydrophobicContact CG1-CD1 3.76Å; V100-L104 HydrophobicContact CG1-CG 4.29Å; V100-L104 WeakPolarHBondContact O-CB 3.28Å; V100-L104 VanDerWaalsContact O-CG 3.25Å; V100-L104 WeakPolarHBondContact O-CG 3.26Å; V100-L104 PolarHBondContact O-N 3.23Å; V100-L120 HydrophobicContact CB-CD1 3.89Å; V100-L120 HydrophobicContact CG1-CD1 3.61Å; V100-L120 HydrophobicContact CG2-CD1 4.49Å
101R97.1Very high95.8Very high70 Ų7058.5 Ų58.526%0.26430%0.304SS..Hα-helixtrans-62-39.4178.6-68178.1-158.6-89.65111.9A97 H98 E99 S105 I115 R116 L118A97-R101 WeakPolarHBondContact O-CG 3.17Å; A97-R101 PolarHBondContact O-N 3.36Å; A97-R101 VanDerWaalsContact O-N 3.16Å; H98-R101 PolarHBondContact O-N 3.33Å; E99-R101 PolarHBondContact O-N 2.87Å; R101-S105 WeakPolarHBondContact O-CB 3.01Å; R101-S105 PolarHBondContact O-N 3.28Å; R101-I115 HydrophobicContact CB-CG2 3.9Å; R101-I115 HydrophobicContact CG-CG2 3.99Å; R101-I115 PolarHBondContact NH1-O 3.27Å; R101-R116 PolarHBondContact NH1-O 2.93Å; R101-L118 VanDerWaalsContact CZ-O 3.31Å; R101-L118 PolarHBondContact NH1-O 3.36Å; R101-L118 PolarHBondContact NH2-O 2.88Å
102S96.8Very high96.3Very high31 Ų3156.2 Ų56.222%0.21728%0.284CS..Hα-helixtrans-64.2-47.4178.1-56.90000111H98 E99 V100 S105H98-S102 WeakPolarHBondContact O-CB 3.46Å; H98-S102 PolarHBondContact O-N 3.27Å; H98-S102 PolarHBondContact O-OG 3.32Å; E99-S102 PolarHBondContact O-N 3.27Å; E99-S102 VanDerWaalsContact O-N 3.17Å; V100-S102 VanDerWaalsContact C-N 3.29Å; V100-S102 PolarHBondContact O-N 2.63Å; S102-S105 WeakPolarHBondContact O-CB 3.28Å; S102-S105 PolarHBondContact O-N 3.36Å; S102-S105 PolarHBondContact O-OG 3.44Å
103I97.8Very high96.6Very high1 Ų158 Ų581%0.00529%0.294CS..Hα-helixtrans-63.1-45.5176.8-66.7-57.8000111.8I30 I72 L75 L76 E99 V100 S105 L106I30-I103 HydrophobicContact CG2-CD1 4.42Å; I72-I103 HydrophobicContact CD1-CD1 4.47Å; I72-I103 HydrophobicContact CG1-CD1 4.37Å; I72-I103 HydrophobicContact CG1-CG1 4.31Å; I72-I103 HydrophobicContact CG2-CD1 3.82Å; I72-I103 HydrophobicContact CG2-CG1 4.26Å; I72-I103 HydrophobicContact CG2-CG2 4Å; L75-I103 HydrophobicContact CB-CG2 3.81Å; L75-I103 HydrophobicContact CD1-CB 4.28Å; L75-I103 HydrophobicContact CD1-CG2 4.07Å; L76-I103 HydrophobicContact CD2-CG2 3.91Å; L76-I103 WeakPolarHBondContact CD2-O 3.35Å; L76-I103 HydrophobicContact CG-CG2 3.85Å; E99-I103 VanDerWaalsContact O-CG1 3.32Å; E99-I103 WeakPolarHBondContact O-CG1 3.25Å; E99-I103 PolarHBondContact O-N 2.96Å; V100-I103 PolarHBondContact O-N 2.8Å; I103-S105 PolarHBondContact O-N 3.28Å; I103-L106 HydrophobicContact CD1-CD1 3.99Å; I103-L106 VanDerWaalsContact O-CB 3.27Å; I103-L106 WeakPolarHBondContact O-CB 3.25Å; I103-L106 WeakPolarHBondContact O-CG 3.4Å; I103-L106 PolarHBondContact O-N 3.06Å
104L98.1Very high96.8Very high0 Ų060 Ų600%031%0.305CS..Hα-helixtrans-61.7-32.3177.5-69.2172.9000111.9L75 L78 V81 V100 L106 R107 F110 I115 L118L75-L104 HydrophobicContact CB-CD2 4.25Å; L75-L104 HydrophobicContact CD2-CD2 4.34Å; L78-L104 HydrophobicContact CD1-CD2 4.11Å; V81-L104 HydrophobicContact CG1-CD1 4.31Å; V100-L104 HydrophobicContact CG1-CD1 3.76Å; V100-L104 HydrophobicContact CG1-CG 4.29Å; V100-L104 WeakPolarHBondContact O-CB 3.28Å; V100-L104 VanDerWaalsContact O-CG 3.25Å; V100-L104 WeakPolarHBondContact O-CG 3.26Å; V100-L104 PolarHBondContact O-N 3.23Å; L104-L106 PolarHBondContact O-N 2.96Å; L104-R107 WeakPolarHBondContact O-CB 3.4Å; L104-R107 PolarHBondContact O-N 2.74Å; L104-R107 VanDerWaalsContact O-N 3.12Å; L104-F110 HydrophobicContact CB-CD2 4.42Å; L104-F110 HydrophobicContact CD2-CD2 4.08Å; L104-F110 HydrophobicContact CD2-CE2 3.75Å; L104-I115 HydrophobicContact CB-CD1 3.96Å; L104-I115 HydrophobicContact CB-CG1 4.08Å; L104-I115 HydrophobicContact CB-CG2 4.32Å; L104-L118 HydrophobicContact CD1-CD1 3.55Å
105S97.8Very high96.9Very high74 Ų7453.4 Ų53.452%0.51728%0.281SS..Hα-helixtrans-67.5-15.1176.7800000114R101 S102 I103 R107R101-S105 WeakPolarHBondContact O-CB 3.01Å; R101-S105 PolarHBondContact O-N 3.28Å; S102-S105 WeakPolarHBondContact O-CB 3.28Å; S102-S105 PolarHBondContact O-N 3.36Å; S102-S105 PolarHBondContact O-OG 3.44Å; I103-S105 PolarHBondContact O-N 3.28Å; S105-R107 PolarHBondContact O-N 3.38Å
106L98.2Very high96.9Very high20 Ų2061.7 Ų61.711%0.10531%0.311CS..THydrogen-bonded Turntrans-75.4-14.7174.7-52.8176.3000111.8I30 S34 F35 L76 I103 L104I30-L106 HydrophobicContact CG2-CD1 3.75Å; S34-L106 CarbonylContact C-O 3.47Å; S34-L106 VanDerWaalsContact CA-O 3.26Å; S34-L106 WeakPolarHBondContact CA-O 3.38Å; F35-L106 HydrophobicContact CD2-CB 4.02Å; F35-L106 HydrophobicContact CE2-CB 4.47Å; F35-L106 HydrophobicContact CE2-CD1 4.39Å; F35-L106 PolarHBondContact N-O 2.97Å; L76-L106 HydrophobicContact CD2-CB 4.1Å; I103-L106 HydrophobicContact CD1-CD1 3.99Å; I103-L106 VanDerWaalsContact O-CB 3.27Å; I103-L106 WeakPolarHBondContact O-CB 3.25Å; I103-L106 WeakPolarHBondContact O-CG 3.4Å; I103-L106 PolarHBondContact O-N 3.06Å; L104-L106 PolarHBondContact O-N 2.96Å
107R98Very high96.9Very high6 Ų661.5 Ų61.52%0.02332%0.318CS..BIsolated β-bridgetrans-81.5121.1175.8-78.7-71.6-64.5-77.6-5.1110.7L76 L78 L104 S105 D109 F110L76-R107 HydrophobicContact CD2-CG 4.1Å; L76-R107 WeakPolarHBondContact O-CD 3.34Å; L76-R107 PolarHBondContact O-NH1 3.27Å; L78-R107 PolarHBondContact O-NH1 3.19Å; L78-R107 PolarHBondContact O-NH2 3.1Å; L104-R107 WeakPolarHBondContact O-CB 3.4Å; L104-R107 PolarHBondContact O-N 2.74Å; L104-R107 VanDerWaalsContact O-N 3.12Å; S105-R107 PolarHBondContact O-N 3.38Å; R107-D109 IonicContact CZ-OD1 3Å; R107-D109 IonicContact CZ-OD2 2.95Å; R107-D109 IonicContact NE-OD1 2.98Å; R107-D109 PolarHBondContact NE-OD1 3.36Å; R107-D109 IonicContact NE-OD2 3.41Å; R107-D109 VanDerWaalsContact NH2-CG 3.34Å; R107-D109 IonicContact NH2-OD1 3.64Å; R107-D109 PolarHBondContact NH2-OD1 3.46Å; R107-D109 IonicContact NH2-OD2 2.99Å; R107-D109 PolarHBondContact NH2-OD2 3.48Å; R107-D109 PolarHBondContact O-N 3.44Å; R107-F110 HydrophobicContact CB-CB 4.1Å; R107-F110 HydrophobicContact CB-CD1 4.39Å; R107-F110 HydrophobicContact CB-CD2 3.43Å; R107-F110 VanDerWaalsContact CB-CD2 3.43Å; R107-F110 HydrophobicContact CB-CE2 3.92Å; R107-F110 HydrophobicContact CB-CG 3.7Å; R107-F110 HydrophobicContact CG-CD2 3.82Å; R107-F110 HydrophobicContact CG-CE2 3.77Å; R107-F110 HydrophobicContact CG-CG 4.46Å; R107-F110 HydrophobicContact CG-CZ 4.38Å; R107-F110 PolarHBondContact O-N 2.91Å
108R97.2Very high96.9Very high171 Ų17160.7 Ų60.765%0.64531%0.31SS*.THydrogen-bonded Turntrans-65.4-24.8-176.3-68.9-174.3-74.7168.1-7.7113.8F35 S36F35-R108 PolarHBondContact O-N 2.95Å; S36-R108 VanDerWaalsContact CB-NH2 3.29Å; S36-R108 PolarHBondContact OG-NH2 3Å
109D96Very high96.7Very high90 Ų9062.4 Ų62.448%0.48132%0.316SS..THydrogen-bonded Turntrans-98.1-4.2-174.352.7-40.5000113.6R107R107-D109 IonicContact CZ-OD1 3Å; R107-D109 IonicContact CZ-OD2 2.95Å; R107-D109 IonicContact NE-OD1 2.98Å; R107-D109 PolarHBondContact NE-OD1 3.36Å; R107-D109 IonicContact NE-OD2 3.41Å; R107-D109 VanDerWaalsContact NH2-CG 3.34Å; R107-D109 IonicContact NH2-OD1 3.64Å; R107-D109 PolarHBondContact NH2-OD1 3.46Å; R107-D109 IonicContact NH2-OD2 2.99Å; R107-D109 PolarHBondContact NH2-OD2 3.48Å; R107-D109 PolarHBondContact O-N 3.44Å
110F97.8Very high96.4Very high18 Ų1860.8 Ų60.88%0.07931%0.309CS..SBendtrans-90.9129.5175.7-69.6-10.9000111.1L78 V81 L104 R107 I115L78-F110 HydrophobicContact CB-CE2 4.43Å; L78-F110 HydrophobicContact CB-CZ 4.02Å; L78-F110 WeakPolarHBondContact O-CZ 3.43Å; V81-F110 HydrophobicContact CG2-CB 3.73Å; V81-F110 HydrophobicContact CG2-CD1 3.85Å; V81-F110 HydrophobicContact CG2-CD2 3.67Å; V81-F110 HydrophobicContact CG2-CE1 4.33Å; V81-F110 HydrophobicContact CG2-CE2 4.17Å; V81-F110 HydrophobicContact CG2-CG 3.48Å; V81-F110 VanDerWaalsContact CG2-CG 3.48Å; V81-F110 HydrophobicContact CG2-CZ 4.47Å; L104-F110 HydrophobicContact CB-CD2 4.42Å; L104-F110 HydrophobicContact CD2-CD2 4.08Å; L104-F110 HydrophobicContact CD2-CE2 3.75Å; R107-F110 HydrophobicContact CB-CB 4.1Å; R107-F110 HydrophobicContact CB-CD1 4.39Å; R107-F110 HydrophobicContact CB-CD2 3.43Å; R107-F110 VanDerWaalsContact CB-CD2 3.43Å; R107-F110 HydrophobicContact CB-CE2 3.92Å; R107-F110 HydrophobicContact CB-CG 3.7Å; R107-F110 HydrophobicContact CG-CD2 3.82Å; R107-F110 HydrophobicContact CG-CE2 3.77Å; R107-F110 HydrophobicContact CG-CG 4.46Å; R107-F110 HydrophobicContact CG-CZ 4.38Å; R107-F110 PolarHBondContact O-N 2.91Å; F110-I115 HydrophobicContact CB-CD1 4.1Å; F110-I115 HydrophobicContact CB-CG1 4.48Å
111A96.8Very high95.6Very high44 Ų4472 Ų7236%0.36436%0.361SS..  trans-75.8133.7178.900000110.3N113 E114 I115A111-N113 PolarHBondContact O-N 2.85Å; A111-N113 VanDerWaalsContact O-N 3.08Å; A111-E114 HydrophobicContact CB-CB 4.48Å; A111-E114 HydrophobicContact CB-CG 4Å; A111-E114 PolarHBondContact N-OE2 2.85Å; A111-E114 WeakPolarHBondContact O-CB 3.41Å; A111-E114 PolarHBondContact O-N 3.14Å; A111-I115 PolarHBondContact O-N 3.3Å
112V96.4Very high95.5Very high85 Ų8572.1 Ų72.152%0.51537%0.365SS..Hα-helixtrans-55.2-33.1178.1177.50000112I115 R116V112-I115 PolarHBondContact O-N 2.89Å; V112-R116 HydrophobicContact CG1-CG 4.48Å; V112-R116 VanDerWaalsContact O-CG 3.31Å; V112-R116 WeakPolarHBondContact O-CG 3.43Å; V112-R116 PolarHBondContact O-N 3.03Å
113N96.9Very high95.5Very high121 Ų12174.2 Ų74.265%0.64737%0.373SS*.Hα-helixtrans-69-38.3178.7-67.8-22.3000112.7A111 R116 A117A111-N113 PolarHBondContact O-N 2.85Å; A111-N113 VanDerWaalsContact O-N 3.08Å; N113-R116 PolarHBondContact O-N 3.05Å; N113-A117 WeakPolarHBondContact O-CB 3.47Å; N113-A117 PolarHBondContact O-N 2.83Å
114E97.1Very high95.3Very high82 Ų8278.3 Ų78.338%0.38339%0.394SS..Hα-helixtrans-63.2-45.5175.2-66.1168.6171.700110V81 A111 R116 A117 L118V81-E114 HydrophobicContact CB-CB 4.09Å; V81-E114 HydrophobicContact CG1-CB 4.19Å; V81-E114 HydrophobicContact CG2-CB 4.05Å; A111-E114 HydrophobicContact CB-CB 4.48Å; A111-E114 HydrophobicContact CB-CG 4Å; A111-E114 PolarHBondContact N-OE2 2.85Å; A111-E114 WeakPolarHBondContact O-CB 3.41Å; A111-E114 PolarHBondContact O-N 3.14Å; E114-R116 VanDerWaalsContact C-N 3.31Å; E114-R116 PolarHBondContact O-N 3.28Å; E114-A117 PolarHBondContact O-N 3.4Å; E114-A117 VanDerWaalsContact O-N 3.14Å; E114-L118 PolarHBondContact O-N 2.65Å
115I97.5Very high95.2Very high9 Ų982.9 Ų82.95%0.04642%0.417CS..Hα-helixtrans-61.9-39.1177.8-59.5170000111.3V81 R101 L104 F110 A111 V112 L118V81-I115 HydrophobicContact CG1-CG1 4.1Å; V81-I115 HydrophobicContact CG2-CG1 4.13Å; R101-I115 HydrophobicContact CB-CG2 3.9Å; R101-I115 HydrophobicContact CG-CG2 3.99Å; R101-I115 PolarHBondContact NH1-O 3.27Å; L104-I115 HydrophobicContact CB-CD1 3.96Å; L104-I115 HydrophobicContact CB-CG1 4.08Å; L104-I115 HydrophobicContact CB-CG2 4.32Å; F110-I115 HydrophobicContact CB-CD1 4.1Å; F110-I115 HydrophobicContact CB-CG1 4.48Å; A111-I115 PolarHBondContact O-N 3.3Å; V112-I115 PolarHBondContact O-N 2.89Å; I115-L118 WeakPolarHBondContact O-CB 3.37Å
116R95.3Very high95Very high181 Ų18183.4 Ų83.468%0.68341%0.411SS*.Hα-helixtrans-69.6-35.5176.3-74.4174.8-178.6177.61.4112.3R101 V112 N113 E114 L118R101-R116 PolarHBondContact NH1-O 2.93Å; V112-R116 HydrophobicContact CG1-CG 4.48Å; V112-R116 VanDerWaalsContact O-CG 3.31Å; V112-R116 WeakPolarHBondContact O-CG 3.43Å; V112-R116 PolarHBondContact O-N 3.03Å; N113-R116 PolarHBondContact O-N 3.05Å; E114-R116 VanDerWaalsContact C-N 3.31Å; E114-R116 PolarHBondContact O-N 3.28Å; R116-L118 PolarHBondContact O-N 3.2Å
117A95.5Very high94.8Very high75 Ų7587.7 Ų87.762%0.6243%0.431SS*.Hα-helixtrans-69.6-17.9179.900000113.5N113 E114 K119N113-A117 WeakPolarHBondContact O-CB 3.47Å; N113-A117 PolarHBondContact O-N 2.83Å; E114-A117 PolarHBondContact O-N 3.4Å; E114-A117 VanDerWaalsContact O-N 3.14Å; A117-K119 PolarHBondContact O-N 2.78Å
118L95.4Very high94.6Very high8 Ų893.5 Ų93.54%0.04246%0.46CS..  trans-55.1128.5175.7-71.7176.6000112V81 V84 R101 L104 E114 I115 R116 L120V81-L118 HydrophobicContact CG1-CD1 3.58Å; V81-L118 HydrophobicContact CG1-CD2 3.89Å; V81-L118 HydrophobicContact CG1-CG 3.71Å; V84-L118 HydrophobicContact CG1-CD1 3.92Å; V84-L118 HydrophobicContact CG1-CD2 3.49Å; V84-L118 VanDerWaalsContact CG1-CD2 3.49Å; V84-L118 HydrophobicContact CG1-CG 4.32Å; R101-L118 VanDerWaalsContact CZ-O 3.31Å; R101-L118 PolarHBondContact NH1-O 3.36Å; R101-L118 PolarHBondContact NH2-O 2.88Å; L104-L118 HydrophobicContact CD1-CD1 3.55Å; E114-L118 PolarHBondContact O-N 2.65Å; I115-L118 WeakPolarHBondContact O-CB 3.37Å; R116-L118 PolarHBondContact O-N 3.2Å; L118-L120 HydrophobicContact CB-CG 4.21Å; L118-L120 HydrophobicContact CD1-CD1 4.43Å; L118-L120 PolarHBondContact O-N 3.38Å
119K92.1Very high94.4Very high176 Ų17687.5 Ų87.577%0.76545%0.446SS*.  trans-99.480.2173.9-66.2-177.8-179.2178.50109.9H85 A117H85-K119 PolarHBondContact CE1-O 3.27Å; A117-K119 PolarHBondContact O-N 2.78Å
120L89.6Confident94.2Very high15 Ų1587.3 Ų87.38%0.07944%0.443CS..  trans-96.5106.7173.3-52.9177000107V84 W88 A97 V100 L118V84-L120 HydrophobicContact CG1-CD2 4.1Å; V84-L120 HydrophobicContact CG2-CD2 4.45Å; W88-L120 HydrophobicContact CB-CD2 4.46Å; W88-L120 HydrophobicContact CD2-CB 4.35Å; W88-L120 HydrophobicContact CD2-CD2 3.83Å; W88-L120 HydrophobicContact CE3-CD1 4.41Å; W88-L120 HydrophobicContact CE3-CD2 4.09Å; W88-L120 HydrophobicContact CG-CD2 3.98Å; W88-L120 HydrophobicContact CH2-CB 4.21Å; W88-L120 HydrophobicContact CZ2-CB 3.92Å; W88-L120 HydrophobicContact CZ3-CD1 4.36Å; A97-L120 HydrophobicContact CB-CB 3.77Å; A97-L120 HydrophobicContact CB-CD1 4.34Å; V100-L120 HydrophobicContact CB-CD1 3.89Å; V100-L120 HydrophobicContact CG1-CD1 3.61Å; V100-L120 HydrophobicContact CG2-CD1 4.49Å; L118-L120 HydrophobicContact CB-CG 4.21Å; L118-L120 HydrophobicContact CD1-CD1 4.43Å; L118-L120 PolarHBondContact O-N 3.38Å
121Q80.3Confident93.9Very high234 Ų23493.6 Ų93.6100%1.09348%0.476SS*.  trans-99.50172.9-69.9-176.9-23.200109.3W88W88-Q121 WeakPolarHBondContact CZ2-O 3.36Å; W88-Q121 PolarHBondContact NE1-O 3.09Å

Retrieved 121 of 121 residues in 112.3 ms (Link to these results)

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