A0A3Q0KEY9_SCHMA Loading...

Tegumental antigen

AlphaFold DB (G4VJT8), UniProt , Accession A0A3Q0KEY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 176 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
1M42.9Very low57.7Low200 Ų20093.6 Ų93.699%0.98548%0.478SS*.  0-23.90-148.6166.7176.700113.7T3M1-T3 PolarHBondContact O-N 3.41Å
2Q40.8Very low59.9Low172 Ų17294 Ų9480%0.80448%0.476SS*.Hα-helixtrans-69.7-21.8-179-79179.5-8.100116.3
3T41.3Very low62.3Low104 Ų10487.9 Ų87.964%0.63845%0.446SS*.Hα-helixtrans-69.8-34.7-176.8-39.60000112.6M1 K6 L7M1-T3 PolarHBondContact O-N 3.41Å; T3-K6 PolarHBondContact O-N 3.15Å; T3-L7 HydrophobicContact CG2-CD1 4.26Å; T3-L7 PolarHBondContact O-N 3.25Å
4I41Very low64.4Low120 Ų12081.6 Ų81.662%0.61541%0.414SS*.Hα-helixtrans-65.7-44.6-174.8-58.9174.3000111.1K6 L7 D8I4-K6 VanDerWaalsContact C-N 3.31Å; I4-K6 PolarHBondContact O-N 3.34Å; I4-L7 WeakPolarHBondContact O-CB 3.44Å; I4-L7 PolarHBondContact O-N 3.23Å; I4-D8 PolarHBondContact O-N 3.3Å; I4-D8 VanDerWaalsContact O-N 3.15Å
5H45.7Very low66.1Low138 Ų13878.7 Ų78.764%0.63940%0.397SS*.Hα-helixtrans-67-27.5178.4-74.8-60000114.1D8H5-D8 WeakPolarHBondContact O-CB 3.38Å; H5-D8 PolarHBondContact O-N 3.34Å
6K48.7Very low67.6Low128 Ų12879.7 Ų79.756%0.55740%0.401SS*.Hα-helixtrans-74.4-34.5175.5-78.7-173.9178.3178.70112T3 I4 D8 F10T3-K6 PolarHBondContact O-N 3.15Å; I4-K6 VanDerWaalsContact C-N 3.31Å; I4-K6 PolarHBondContact O-N 3.34Å; K6-D8 VanDerWaalsContact C-N 3.27Å; K6-F10 WeakPolarHBondContact O-CD2 3.36Å
7L55.4Low69.1Low47 Ų4775.8 Ų75.825%0.24638%0.383CS..Hα-helixtrans-62.5-39.2172.4-76.6152.3000110.5T3 I4 G9 F10 T11 L68 L70T3-L7 HydrophobicContact CG2-CD1 4.26Å; T3-L7 PolarHBondContact O-N 3.25Å; I4-L7 WeakPolarHBondContact O-CB 3.44Å; I4-L7 PolarHBondContact O-N 3.23Å; L7-G9 PolarHBondContact O-N 3.4Å; L7-F10 PolarHBondContact O-N 3.48Å; L7-T11 VanDerWaalsContact O-CB 3.29Å; L7-T11 WeakPolarHBondContact O-CB 3.49Å; L7-T11 PolarHBondContact O-N 2.91Å; L7-T11 PolarHBondContact O-OG1 3.19Å; L7-L68 HydrophobicContact CD2-CB 3.56Å; L7-L68 HydrophobicContact CD2-CD1 4.11Å; L7-L68 HydrophobicContact CD2-CD2 3.77Å; L7-L68 HydrophobicContact CD2-CG 3.98Å; L7-L68 VanDerWaalsContact CD2-O 3.3Å; L7-L68 WeakPolarHBondContact CD2-O 3.42Å; L7-L70 HydrophobicContact CD2-CD2 4.36Å
8D66.3Low70.5Confident76 Ų7672.1 Ų72.141%0.40636%0.364SS..Hα-helixtrans-55.4-54.3-178.3-136.98.4000112.1I4 H5 K6 F10 T11 E12I4-D8 PolarHBondContact O-N 3.3Å; I4-D8 VanDerWaalsContact O-N 3.15Å; H5-D8 WeakPolarHBondContact O-CB 3.38Å; H5-D8 PolarHBondContact O-N 3.34Å; K6-D8 VanDerWaalsContact C-N 3.27Å; D8-F10 PolarHBondContact O-N 3.5Å; D8-T11 PolarHBondContact O-N 2.65Å; D8-E12 WeakPolarHBondContact O-CB 3.29Å; D8-E12 WeakPolarHBondContact O-CG 3.19Å; D8-E12 PolarHBondContact O-N 3Å
9G78.9Confident71.5Confident26 Ų2676.7 Ų76.727%0.26838%0.382SS..Hα-helixtrans-63.5-37.9-177.200000114.4L7 I13L7-G9 PolarHBondContact O-N 3.4Å; G9-I13 WeakPolarHBondContact O-CB 3.45Å; G9-I13 VanDerWaalsContact O-CD1 3.27Å; G9-I13 WeakPolarHBondContact O-CD1 3.12Å; G9-I13 WeakPolarHBondContact O-CG1 3.25Å; G9-I13 PolarHBondContact O-N 3.12Å
10F87.4Confident72.5Confident10 Ų1074.8 Ų74.84%0.04437%0.37CS..Hα-helixtrans-68.2-44.9175.4-72.7-64.8000111.3K6 L7 D8 I13 Y14 R46 W47 L50 F51 F64 L68K6-F10 WeakPolarHBondContact O-CD2 3.36Å; L7-F10 PolarHBondContact O-N 3.48Å; D8-F10 PolarHBondContact O-N 3.5Å; F10-I13 PolarHBondContact O-N 3.16Å; F10-Y14 PolarHBondContact O-N 3.31Å; F10-R46 HydrophobicContact CZ-CG 4.38Å; F10-W47 HydrophobicContact CB-CZ2 4.24Å; F10-W47 HydrophobicContact CD1-CD2 4.05Å; F10-W47 AromaticContact CD1-CE2 3.42Å; F10-W47 VanDerWaalsContact CD1-CE2 3.42Å; F10-W47 HydrophobicContact CD1-CG 4.41Å; F10-W47 HydrophobicContact CD1-CH2 4.41Å; F10-W47 AromaticContact CD1-CZ2 3.64Å; F10-W47 HydrophobicContact CD1-CZ2 3.64Å; F10-W47 AromaticContact CD1-NE1 3.38Å; F10-W47 AromaticContact CE1-CD1 3.66Å; F10-W47 HydrophobicContact CE1-CD2 4.3Å; F10-W47 AromaticContact CE1-CE2 3.91Å; F10-W47 HydrophobicContact CE1-CG 4.19Å; F10-W47 AromaticContact CE1-NE1 3.47Å; F10-W47 HydrophobicContact CG-CZ2 4.44Å; F10-W47 WeakPolarHBondContact O-CH2 3.43Å; F10-W47 WeakPolarHBondContact O-CZ2 3.44Å; F10-L50 HydrophobicContact CE2-CD1 4.5Å; F10-L50 HydrophobicContact CZ-CD1 4.07Å; F10-F51 HydrophobicContact CB-CZ 4.38Å; F10-F51 AromaticContact CD1-CE2 3.63Å; F10-F51 HydrophobicContact CD1-CE2 3.63Å; F10-F51 AromaticContact CD1-CZ 3.95Å; F10-F51 HydrophobicContact CD1-CZ 3.95Å; F10-F51 HydrophobicContact CD2-CZ 4.45Å; F10-F51 AromaticContact CE1-CE2 3.84Å; F10-F51 HydrophobicContact CE1-CE2 3.84Å; F10-F51 HydrophobicContact CE1-CZ 4.34Å; F10-F51 HydrophobicContact CG-CE2 4.19Å; F10-F51 HydrophobicContact CG-CZ 4.03Å; F10-F64 HydrophobicContact CB-CE2 4.11Å; F10-F64 HydrophobicContact CB-CZ 4.02Å; F10-F64 WeakPolarHBondContact O-CZ 3.43Å; F10-L68 HydrophobicContact CB-CD1 3.98Å; F10-L68 HydrophobicContact CD2-CD2 4.47Å
11T85.9Confident73.4Confident9 Ų973 Ų736%0.05536%0.36CS..Hα-helixtrans-63.9-49.6-175.2-54.30000110.3L7 D8 I13 Y14 F15L7-T11 VanDerWaalsContact O-CB 3.29Å; L7-T11 WeakPolarHBondContact O-CB 3.49Å; L7-T11 PolarHBondContact O-N 2.91Å; L7-T11 PolarHBondContact O-OG1 3.19Å; D8-T11 PolarHBondContact O-N 2.65Å; T11-I13 PolarHBondContact O-N 3.14Å; T11-Y14 PolarHBondContact O-N 3.47Å; T11-F15 HydrophobicContact CG2-CD2 3.9Å; T11-F15 HydrophobicContact CG2-CE2 3.67Å; T11-F15 WeakPolarHBondContact O-CD2 3.3Å; T11-F15 PolarHBondContact O-N 3.15Å
12E84.5Confident75.8Confident98 Ų9863.9 Ų63.946%0.45831%0.314SS..Hα-helixtrans-56.6-49177.7-71.6179.8164.200111.8D8 Y14 F15 M16D8-E12 WeakPolarHBondContact O-CB 3.29Å; D8-E12 WeakPolarHBondContact O-CG 3.19Å; D8-E12 PolarHBondContact O-N 3Å; E12-Y14 PolarHBondContact O-N 3.49Å; E12-F15 PolarHBondContact O-N 2.84Å; E12-M16 WeakPolarHBondContact O-CB 3.48Å; E12-M16 VanDerWaalsContact O-CG 3.28Å; E12-M16 WeakPolarHBondContact O-CG 3.35Å; E12-M16 PolarHBondContact O-N 3.39Å
13I90.9Very high78.2Confident15 Ų1556.6 Ų56.68%0.07729%0.286CS..Hα-helixtrans-61.1-45179.6-67171000110.8G9 F10 T11 F15 M16 V17 L30 Y33 M43 W47G9-I13 WeakPolarHBondContact O-CB 3.45Å; G9-I13 VanDerWaalsContact O-CD1 3.27Å; G9-I13 WeakPolarHBondContact O-CD1 3.12Å; G9-I13 WeakPolarHBondContact O-CG1 3.25Å; G9-I13 PolarHBondContact O-N 3.12Å; F10-I13 PolarHBondContact O-N 3.16Å; T11-I13 PolarHBondContact O-N 3.14Å; I13-F15 VanDerWaalsContact C-N 3.35Å; I13-F15 PolarHBondContact O-N 3.5Å; I13-M16 PolarHBondContact O-N 3.49Å; I13-V17 HydrophobicContact CG2-CG2 4.15Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.49Å; I13-V17 PolarHBondContact O-N 3.26Å; I13-L30 HydrophobicContact CG2-CD1 3.74Å; I13-Y33 HydrophobicContact CB-CE1 4.3Å; I13-Y33 HydrophobicContact CG1-CE1 3.93Å; I13-Y33 HydrophobicContact CG2-CD1 3.96Å; I13-Y33 HydrophobicContact CG2-CE1 3.86Å; I13-M43 HydrophobicContact CD1-SD 3.91Å; I13-W47 HydrophobicContact CB-CH2 4.43Å; I13-W47 HydrophobicContact CB-CZ2 3.8Å; I13-W47 HydrophobicContact CG2-CH2 4.2Å; I13-W47 HydrophobicContact CG2-CZ2 3.61Å
14Y92.5Very high80.8Confident0 Ų051.9 Ų51.90%026%0.256CS..Hα-helixtrans-53.7-52.8-179.2-173.4-86.9000111.5F10 T11 E12 M16 V17 D18 G23 W24 I25 W47 I59 L61 F64F10-Y14 PolarHBondContact O-N 3.31Å; T11-Y14 PolarHBondContact O-N 3.47Å; E12-Y14 PolarHBondContact O-N 3.49Å; Y14-M16 VanDerWaalsContact C-N 3.35Å; Y14-M16 PolarHBondContact O-N 3.17Å; Y14-V17 PolarHBondContact O-N 3.25Å; Y14-D18 HydrophobicContact CE1-CB 4.24Å; Y14-D18 PolarHBondContact O-N 3.35Å; Y14-G23 PolarHBondContact OH-O 2.79Å; Y14-W24 VanDerWaalsContact OH-CA 3.26Å; Y14-W24 WeakPolarHBondContact OH-CA 3.41Å; Y14-W24 PolarHBondContact OH-N 3.08Å; Y14-I25 HydrophobicContact CD2-CD1 3.74Å; Y14-I25 HydrophobicContact CD2-CG1 4.1Å; Y14-I25 HydrophobicContact CD2-CG2 4.43Å; Y14-I25 HydrophobicContact CE2-CD1 4.04Å; Y14-I25 HydrophobicContact CE2-CG1 3.85Å; Y14-I25 HydrophobicContact CE2-CG2 4.14Å; Y14-W47 HydrophobicContact CD2-CH2 4.34Å; Y14-W47 HydrophobicContact CD2-CZ3 4.12Å; Y14-I59 HydrophobicContact CD2-CG2 4.48Å; Y14-I59 HydrophobicContact CE2-CG2 4.04Å; Y14-I59 PolarHBondContact OH-O 3.45Å; Y14-L61 HydrophobicContact CD1-CD1 4.22Å; Y14-L61 HydrophobicContact CE1-CB 4.25Å; Y14-L61 HydrophobicContact CE1-CD1 3.67Å; Y14-L61 HydrophobicContact CE1-CG 4.49Å; Y14-L61 VanDerWaalsContact OH-CA 3.24Å; Y14-L61 WeakPolarHBondContact OH-CA 3.24Å; Y14-L61 WeakPolarHBondContact OH-CB 3.39Å; Y14-L61 PolarHBondContact OH-N 2.99Å; Y14-F64 HydrophobicContact CD1-CD1 4.45Å; Y14-F64 HydrophobicContact CD2-CB 4.26Å; Y14-F64 HydrophobicContact CD2-CD1 4.01Å; Y14-F64 AromaticContact CD2-CD2 3.72Å; Y14-F64 HydrophobicContact CD2-CD2 3.72Å; Y14-F64 HydrophobicContact CD2-CE1 4.27Å; Y14-F64 HydrophobicContact CD2-CE2 4.01Å; Y14-F64 AromaticContact CD2-CG 3.72Å; Y14-F64 HydrophobicContact CD2-CG 3.72Å; Y14-F64 HydrophobicContact CD2-CZ 4.27Å; Y14-F64 HydrophobicContact CE2-CB 4.08Å; Y14-F64 HydrophobicContact CE2-CD1 4.49Å; Y14-F64 HydrophobicContact CE2-CD2 4.33Å; Y14-F64 HydrophobicContact CE2-CG 4.05Å; Y14-F64 AromaticContact CG-CD1 3.99Å; Y14-F64 HydrophobicContact CG-CD1 3.99Å; Y14-F64 HydrophobicContact CG-CD2 4.34Å; Y14-F64 AromaticContact CG-CE1 3.94Å; Y14-F64 HydrophobicContact CG-CE1 3.94Å; Y14-F64 HydrophobicContact CG-CE2 4.3Å; Y14-F64 HydrophobicContact CG-CG 4.18Å; Y14-F64 HydrophobicContact CG-CZ 4.1Å
15F89.2Confident83.4Confident37 Ų3746.1 Ų46.116%0.16223%0.227CC..Hα-helixtrans-75.6-22.9-176.1-66.1-68.3000113.2T11 E12 I13 V17 L61 Q78 T79T11-F15 HydrophobicContact CG2-CD2 3.9Å; T11-F15 HydrophobicContact CG2-CE2 3.67Å; T11-F15 WeakPolarHBondContact O-CD2 3.3Å; T11-F15 PolarHBondContact O-N 3.15Å; E12-F15 PolarHBondContact O-N 2.84Å; I13-F15 VanDerWaalsContact C-N 3.35Å; I13-F15 PolarHBondContact O-N 3.5Å; F15-V17 VanDerWaalsContact C-N 3.34Å; F15-L61 HydrophobicContact CE1-CD1 3.98Å; F15-L61 HydrophobicContact CZ-CD1 3.8Å; F15-Q78 HydrophobicContact CD1-CB 3.85Å; F15-Q78 HydrophobicContact CD2-CB 3.76Å; F15-Q78 VanDerWaalsContact CD2-CD 3.48Å; F15-Q78 HydrophobicContact CD2-CG 4.13Å; F15-Q78 HydrophobicContact CE1-CB 3.81Å; F15-Q78 HydrophobicContact CE2-CB 3.77Å; F15-Q78 HydrophobicContact CE2-CG 4.26Å; F15-Q78 HydrophobicContact CG-CB 3.83Å; F15-Q78 HydrophobicContact CZ-CB 3.77Å; F15-T79 HydrophobicContact CE1-CG2 3.85Å
16M90Very high85.8Confident95 Ų9540.2 Ų40.247%0.46820%0.201SC..Hα-helixtrans-72.3-28.5169-73.6-167.3-16800112.8E12 I13 Y14 K19 Y33E12-M16 WeakPolarHBondContact O-CB 3.48Å; E12-M16 VanDerWaalsContact O-CG 3.28Å; E12-M16 WeakPolarHBondContact O-CG 3.35Å; E12-M16 PolarHBondContact O-N 3.39Å; I13-M16 PolarHBondContact O-N 3.49Å; Y14-M16 VanDerWaalsContact C-N 3.35Å; Y14-M16 PolarHBondContact O-N 3.17Å; M16-K19 WeakPolarHBondContact O-CE 3.34Å; M16-K19 VanDerWaalsContact O-CG 3.24Å; M16-K19 WeakPolarHBondContact O-CG 3.45Å; M16-Y33 HydrophobicContact CB-CD2 4.49Å; M16-Y33 HydrophobicContact CB-CE2 3.7Å; M16-Y33 HydrophobicContact SD-CE2 4.12Å; M16-Y33 PolarHBondContact SD-OH 2.88Å
17V94.1Very high88Confident14 Ų1435.1 Ų35.19%0.08518%0.179CC..Hα-helixtrans-83.6-45.8177.8178.60000111.2I13 Y14 F15 K19 I25 E29 L30 Y33I13-V17 HydrophobicContact CG2-CG2 4.15Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.49Å; I13-V17 PolarHBondContact O-N 3.26Å; Y14-V17 PolarHBondContact O-N 3.25Å; F15-V17 VanDerWaalsContact C-N 3.34Å; V17-K19 PolarHBondContact O-N 2.92Å; V17-I25 HydrophobicContact CB-CB 4.44Å; V17-I25 HydrophobicContact CB-CD1 4.36Å; V17-I25 HydrophobicContact CB-CG2 3.86Å; V17-I25 HydrophobicContact CG1-CB 3.75Å; V17-I25 HydrophobicContact CG1-CD1 4.25Å; V17-I25 HydrophobicContact CG1-CG2 3.58Å; V17-E29 HydrophobicContact CG1-CB 3.73Å; V17-L30 HydrophobicContact CG2-CD1 4.36Å; V17-Y33 HydrophobicContact CG2-CD1 3.99Å; V17-Y33 HydrophobicContact CG2-CD2 3.92Å; V17-Y33 HydrophobicContact CG2-CG 3.54Å
18D93.6Very high89.9Confident8 Ų837.3 Ų37.34%0.04320%0.196CC..  trans-77.660.9176.5-168.77.9000112.7Y14 R20 K21 K22 G23 I25Y14-D18 HydrophobicContact CE1-CB 4.24Å; Y14-D18 PolarHBondContact O-N 3.35Å; D18-R20 PolarHBondContact O-N 3.41Å; D18-K21 PolarHBondContact O-N 3.33Å; D18-K21 WeakPolarHBondContact OD1-CA 3.48Å; D18-K21 PolarHBondContact OD1-N 3.36Å; D18-K21 WeakPolarHBondContact OD2-CA 3.37Å; D18-K22 WeakPolarHBondContact OD1-CG 3.28Å; D18-K22 PolarHBondContact OD1-N 2.98Å; D18-K22 PolarHBondContact OD2-N 2.98Å; D18-K22 VanDerWaalsContact OD2-N 3.15Å; D18-G23 PolarHBondContact OD2-N 3.45Å; D18-I25 HydrophobicContact CB-CG2 3.59Å
19K89.8Confident91.3Very high161 Ų16136.6 Ų36.670%0.719%0.19SC*.THydrogen-bonded Turntrans-62.1-28.8-178.1-62.9-177.9-177.9175.10113.2M16 V17 K21M16-K19 WeakPolarHBondContact O-CE 3.34Å; M16-K19 VanDerWaalsContact O-CG 3.24Å; M16-K19 WeakPolarHBondContact O-CG 3.45Å; V17-K19 PolarHBondContact O-N 2.92Å; K19-K21 VanDerWaalsContact C-N 3.3Å
20R90.6Very high92.1Very high38 Ų3835.3 Ų35.314%0.14318%0.177CC..THydrogen-bonded Turntrans-81.7-11.3177.8-166.9166.9-65.9-94.919112.4D18 K22 E85 D88 L102 D109D18-R20 PolarHBondContact O-N 3.41Å; R20-K22 PolarHBondContact O-N 3.43Å; R20-E85 PolarHBondContact NH1-O 3.13Å; R20-D88 IonicContact CZ-OD1 2.91Å; R20-D88 IonicContact CZ-OD2 2.73Å; R20-D88 IonicContact NH1-OD1 3.85Å; R20-D88 PolarHBondContact NH1-OD1 2.67Å; R20-D88 IonicContact NH1-OD2 2.57Å; R20-D88 IonicContact NH2-OD1 3.43Å; R20-D88 PolarHBondContact NH2-OD1 3.29Å; R20-D88 IonicContact NH2-OD2 3.27Å; R20-D88 PolarHBondContact NH2-OD2 2.79Å; R20-L102 HydrophobicContact CG-CD2 4.09Å; R20-D109 IonicContact CZ-OD2 2.69Å; R20-D109 IonicContact NE-OD2 3.91Å; R20-D109 PolarHBondContact NE-OD2 3.41Å; R20-D109 IonicContact NH2-OD1 2.91Å; R20-D109 PolarHBondContact NH2-OD1 3.09Å; R20-D109 IonicContact NH2-OD2 3.97Å; R20-D109 PolarHBondContact NH2-OD2 3.23Å
21K91.5Very high92.4Very high38 Ų3838.3 Ų38.317%0.16519%0.188CC..  trans5640-173.1-57.8176.9177.51550111.2D18 K19 G23 A80 E85 L102D18-K21 PolarHBondContact O-N 3.33Å; D18-K21 WeakPolarHBondContact OD1-CA 3.48Å; D18-K21 PolarHBondContact OD1-N 3.36Å; D18-K21 WeakPolarHBondContact OD2-CA 3.37Å; K19-K21 VanDerWaalsContact C-N 3.3Å; K21-G23 PolarHBondContact O-N 2.81Å; K21-A80 PolarHBondContact NZ-O 2.85Å; K21-E85 HydrophobicContact CD-CG 4.24Å; K21-E85 WeakPolarHBondContact CD-OE1 3.45Å; K21-E85 WeakPolarHBondContact CE-OE1 3.16Å; K21-E85 HydrophobicContact CG-CG 4.42Å; K21-E85 IonicContact NZ-OE1 2.71Å; K21-E85 PolarHBondContact NZ-OE1 2.79Å; K21-L102 HydrophobicContact CB-CD1 4.36Å
22K93.1Very high92.8Very high7 Ų743.8 Ų43.83%0.0321%0.211CC..  trans-72.6-19.6-179.769.2-163.7172.6-174.30111.4D18 R20 W24 E29 T103D18-K22 WeakPolarHBondContact OD1-CG 3.28Å; D18-K22 PolarHBondContact OD1-N 2.98Å; D18-K22 PolarHBondContact OD2-N 2.98Å; D18-K22 VanDerWaalsContact OD2-N 3.15Å; R20-K22 PolarHBondContact O-N 3.43Å; K22-W24 HydrophobicContact CB-CE3 4.26Å; K22-W24 HydrophobicContact CB-CH2 3.94Å; K22-W24 HydrophobicContact CB-CZ2 4.31Å; K22-W24 HydrophobicContact CB-CZ3 3.95Å; K22-W24 HydrophobicContact CD-CD2 4.22Å; K22-W24 HydrophobicContact CD-CH2 4.35Å; K22-W24 HydrophobicContact CD-CZ2 3.85Å; K22-W24 WeakPolarHBondContact CE-O 3.27Å; K22-W24 HydrophobicContact CG-CD2 3.79Å; K22-W24 HydrophobicContact CG-CE3 3.93Å; K22-W24 HydrophobicContact CG-CG 4.33Å; K22-W24 HydrophobicContact CG-CH2 4.06Å; K22-W24 HydrophobicContact CG-CZ2 3.99Å; K22-W24 HydrophobicContact CG-CZ3 4.07Å; K22-W24 WeakPolarHBondContact CG-O 3.44Å; K22-W24 VanDerWaalsContact O-CE3 3.28Å; K22-W24 WeakPolarHBondContact O-CZ3 3.44Å; K22-E29 IonicContact NZ-OE1 2.81Å; K22-E29 PolarHBondContact NZ-OE1 2.92Å; K22-E29 IonicContact NZ-OE2 2.81Å; K22-E29 PolarHBondContact NZ-OE2 3.26Å; K22-T103 PolarHBondContact O-OG1 3.44Å
23G91.8Very high93.3Very high20 Ų2040.7 Ų40.721%0.20620%0.196CC..SBendtrans96.810.4177.700000113.7Y14 D18 K21 L61Y14-G23 PolarHBondContact OH-O 2.79Å; D18-G23 PolarHBondContact OD2-N 3.45Å; K21-G23 PolarHBondContact O-N 2.81Å; G23-L61 WeakPolarHBondContact O-CB 3.26Å; G23-L61 PolarHBondContact O-N 3.48Å
24W95.2Very high93.3Very high4 Ų440.2 Ų40.22%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-151.7159.5168.467.396.3000110.3Y14 K22 I59 T60 T103 L107 E110Y14-W24 VanDerWaalsContact OH-CA 3.26Å; Y14-W24 WeakPolarHBondContact OH-CA 3.41Å; Y14-W24 PolarHBondContact OH-N 3.08Å; K22-W24 HydrophobicContact CB-CE3 4.26Å; K22-W24 HydrophobicContact CB-CH2 3.94Å; K22-W24 HydrophobicContact CB-CZ2 4.31Å; K22-W24 HydrophobicContact CB-CZ3 3.95Å; K22-W24 HydrophobicContact CD-CD2 4.22Å; K22-W24 HydrophobicContact CD-CH2 4.35Å; K22-W24 HydrophobicContact CD-CZ2 3.85Å; K22-W24 WeakPolarHBondContact CE-O 3.27Å; K22-W24 HydrophobicContact CG-CD2 3.79Å; K22-W24 HydrophobicContact CG-CE3 3.93Å; K22-W24 HydrophobicContact CG-CG 4.33Å; K22-W24 HydrophobicContact CG-CH2 4.06Å; K22-W24 HydrophobicContact CG-CZ2 3.99Å; K22-W24 HydrophobicContact CG-CZ3 4.07Å; K22-W24 WeakPolarHBondContact CG-O 3.44Å; K22-W24 VanDerWaalsContact O-CE3 3.28Å; K22-W24 WeakPolarHBondContact O-CZ3 3.44Å; W24-I59 VanDerWaalsContact CA-O 3.23Å; W24-I59 WeakPolarHBondContact CA-O 3.44Å; W24-I59 WeakPolarHBondContact CB-O 3.39Å; W24-T60 HydrophobicContact CB-CG2 4.45Å; W24-T103 HydrophobicContact CH2-CG2 3.71Å; W24-T103 WeakPolarHBondContact CH2-O 2.93Å; W24-T103 HydrophobicContact CZ3-CG2 3.57Å; W24-L107 HydrophobicContact CH2-CD2 3.94Å; W24-L107 HydrophobicContact CH2-CG 3.74Å; W24-L107 HydrophobicContact CZ2-CD2 3.65Å; W24-L107 HydrophobicContact CZ2-CG 3.84Å; W24-E110 PolarHBondContact NE1-OE2 3.12Å
25I96.6Very high93.3Very high0 Ų046.1 Ų46.10%022%0.221CC..EExtended strand (participates in β ladder)trans-118.9147.4164.664.1177.4000109Y14 V17 D18 L30 W47 R58 I59Y14-I25 HydrophobicContact CD2-CD1 3.74Å; Y14-I25 HydrophobicContact CD2-CG1 4.1Å; Y14-I25 HydrophobicContact CD2-CG2 4.43Å; Y14-I25 HydrophobicContact CE2-CD1 4.04Å; Y14-I25 HydrophobicContact CE2-CG1 3.85Å; Y14-I25 HydrophobicContact CE2-CG2 4.14Å; V17-I25 HydrophobicContact CB-CB 4.44Å; V17-I25 HydrophobicContact CB-CD1 4.36Å; V17-I25 HydrophobicContact CB-CG2 3.86Å; V17-I25 HydrophobicContact CG1-CB 3.75Å; V17-I25 HydrophobicContact CG1-CD1 4.25Å; V17-I25 HydrophobicContact CG1-CG2 3.58Å; D18-I25 HydrophobicContact CB-CG2 3.59Å; I25-L30 HydrophobicContact CD1-CB 4.43Å; I25-L30 HydrophobicContact CD1-CD1 4.15Å; I25-W47 HydrophobicContact CD1-CE3 4.48Å; I25-W47 HydrophobicContact CD1-CH2 4.34Å; I25-W47 HydrophobicContact CD1-CZ3 3.85Å; I25-R58 WeakPolarHBondContact O-CA 3.14Å; I25-I59 HydrophobicContact CD1-CD1 4.3Å; I25-I59 HydrophobicContact CG1-CB 3.88Å; I25-I59 HydrophobicContact CG1-CD1 4.24Å; I25-I59 PolarHBondContact N-O 3.04Å; I25-I59 PolarHBondContact O-N 3.15Å
26T96.3Very high93.6Very high14 Ų1450.2 Ų50.29%0.08624%0.241CC..EExtended strand (participates in β ladder)trans-92.9154.2175.565.80000110.7P28 E29 L30 G57 R58 E110T26-P28 VanDerWaalsContact C-N 3.34Å; T26-E29 WeakPolarHBondContact CB-OE2 3.42Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.27Å; T26-E29 PolarHBondContact N-OE2 3.11Å; T26-E29 PolarHBondContact O-N 3.21Å; T26-E29 VanDerWaalsContact O-N 3.14Å; T26-E29 WeakPolarHBondContact OG1-CB 3.48Å; T26-E29 VanDerWaalsContact OG1-CD 3.25Å; T26-E29 WeakPolarHBondContact OG1-CG 3.17Å; T26-E29 PolarHBondContact OG1-N 2.9Å; T26-E29 PolarHBondContact OG1-OE2 3.39Å; T26-L30 PolarHBondContact O-N 3.47Å; T26-G57 WeakPolarHBondContact CA-O 3.49Å; T26-R58 HydrophobicContact CG2-CG 4.32Å; T26-E110 HydrophobicContact CG2-CG 4.26Å; T26-E110 WeakPolarHBondContact CG2-OE2 3.27Å
27M94.6Very high93.6Very high20 Ų2049.7 Ų49.710%0.09924%0.239CC..Hα-helixtrans-58.8-38176.4-62.6-56.3-61.600113.2L30 R31 F44 K48 G57 I59M27-L30 HydrophobicContact CE-CD2 4.29Å; M27-L30 PolarHBondContact O-N 3.02Å; M27-R31 WeakPolarHBondContact O-CB 3.3Å; M27-R31 PolarHBondContact O-N 2.82Å; M27-F44 HydrophobicContact CB-CZ 4.22Å; M27-F44 HydrophobicContact CE-CD1 4.46Å; M27-F44 HydrophobicContact CE-CD2 4.4Å; M27-F44 HydrophobicContact CE-CE1 3.7Å; M27-F44 HydrophobicContact CE-CE2 3.65Å; M27-F44 HydrophobicContact CE-CZ 3.27Å; M27-F44 WeakPolarHBondContact O-CE2 3.24Å; M27-K48 HydrophobicContact CE-CB 3.78Å; M27-K48 HydrophobicContact CE-CG 4.22Å; M27-G57 PolarHBondContact N-O 3.09Å; M27-I59 HydrophobicContact SD-CD1 3.63Å; M27-I59 HydrophobicContact SD-CG1 4.11Å
28P94.6Very high93.2Very high93 Ų9356.5 Ų56.560%0.60428%0.275SS*.Hα-helixtrans-63.4-39.4171.9-25.736.9000114.2T26 R31 K32T26-P28 VanDerWaalsContact C-N 3.34Å; P28-R31 PolarHBondContact O-N 2.68Å; P28-K32 WeakPolarHBondContact O-CB 3.44Å; P28-K32 PolarHBondContact O-N 3.35Å
29E95.6Very high92.8Very high61 Ų6158.1 Ų58.129%0.28529%0.285SS..Hα-helixtrans-63.8-44.4175.9-74.9167.9141.100111.4V17 K22 T26 K32 Y33V17-E29 HydrophobicContact CG1-CB 3.73Å; K22-E29 IonicContact NZ-OE1 2.81Å; K22-E29 PolarHBondContact NZ-OE1 2.92Å; K22-E29 IonicContact NZ-OE2 2.81Å; K22-E29 PolarHBondContact NZ-OE2 3.26Å; T26-E29 WeakPolarHBondContact CB-OE2 3.42Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.27Å; T26-E29 PolarHBondContact N-OE2 3.11Å; T26-E29 PolarHBondContact O-N 3.21Å; T26-E29 VanDerWaalsContact O-N 3.14Å; T26-E29 WeakPolarHBondContact OG1-CB 3.48Å; T26-E29 VanDerWaalsContact OG1-CD 3.25Å; T26-E29 WeakPolarHBondContact OG1-CG 3.17Å; T26-E29 PolarHBondContact OG1-N 2.9Å; T26-E29 PolarHBondContact OG1-OE2 3.39Å; E29-K32 PolarHBondContact O-N 2.83Å; E29-Y33 PolarHBondContact O-N 2.87Å
30L95.8Very high92.5Very high0 Ų055.1 Ų55.10%028%0.277CS..Hα-helixtrans-61.5-45.8176.4-178.563.8000111.4I13 V17 I25 T26 M27 Y33 M34 F44 W47 I59I13-L30 HydrophobicContact CG2-CD1 3.74Å; V17-L30 HydrophobicContact CG2-CD1 4.36Å; I25-L30 HydrophobicContact CD1-CB 4.43Å; I25-L30 HydrophobicContact CD1-CD1 4.15Å; T26-L30 PolarHBondContact O-N 3.47Å; M27-L30 HydrophobicContact CE-CD2 4.29Å; M27-L30 PolarHBondContact O-N 3.02Å; L30-Y33 PolarHBondContact O-N 3.48Å; L30-M34 HydrophobicContact CD1-CE 3.61Å; L30-M34 HydrophobicContact CD1-CG 4.49Å; L30-M34 HydrophobicContact CD1-SD 4.41Å; L30-M34 HydrophobicContact CD2-CE 4.17Å; L30-M34 HydrophobicContact CG-CE 3.85Å; L30-M34 HydrophobicContact CG-SD 4.2Å; L30-M34 WeakPolarHBondContact O-CG 3.34Å; L30-M34 PolarHBondContact O-N 3.04Å; L30-F44 HydrophobicContact CB-CE2 4.43Å; L30-F44 HydrophobicContact CD2-CD2 4.24Å; L30-F44 HydrophobicContact CD2-CE2 4.31Å; L30-F44 HydrophobicContact CG-CD2 4.25Å; L30-F44 HydrophobicContact CG-CE2 4.36Å; L30-W47 HydrophobicContact CD1-CD2 4.2Å; L30-W47 HydrophobicContact CD1-CE3 4.45Å; L30-W47 HydrophobicContact CD1-CZ2 4.32Å; L30-W47 HydrophobicContact CD2-CB 3.63Å; L30-W47 HydrophobicContact CD2-CD2 3.68Å; L30-W47 HydrophobicContact CD2-CE3 3.85Å; L30-W47 HydrophobicContact CD2-CG 3.65Å; L30-I59 HydrophobicContact CD2-CD1 4.01Å
31R94.3Very high92.3Very high73 Ų7357.5 Ų57.528%0.27529%0.29SS..Hα-helixtrans-58.9-50177.5178.8168.5-66.6-74.71.1111.2M27 P28 Y33 M34 E35 E41 F44M27-R31 WeakPolarHBondContact O-CB 3.3Å; M27-R31 PolarHBondContact O-N 2.82Å; P28-R31 PolarHBondContact O-N 2.68Å; R31-Y33 VanDerWaalsContact C-N 3.33Å; R31-Y33 PolarHBondContact O-N 2.84Å; R31-M34 PolarHBondContact O-N 3.39Å; R31-M34 VanDerWaalsContact O-N 3.14Å; R31-E35 HydrophobicContact CG-CG 4.41Å; R31-E35 WeakPolarHBondContact CG-OE1 3.27Å; R31-E35 WeakPolarHBondContact O-CG 3.37Å; R31-E35 PolarHBondContact O-N 3.41Å; R31-E41 IonicContact CZ-OE1 3.29Å; R31-E41 VanDerWaalsContact CZ-OE1 3.3Å; R31-E41 IonicContact CZ-OE2 2.83Å; R31-E41 VanDerWaalsContact NH1-CD 3.28Å; R31-E41 IonicContact NH1-OE1 3.07Å; R31-E41 PolarHBondContact NH1-OE1 3.1Å; R31-E41 IonicContact NH1-OE2 3.3Å; R31-E41 PolarHBondContact NH1-OE2 3.23Å; R31-E41 IonicContact NH2-OE1 2.71Å; R31-E41 PolarHBondContact NH2-OE1 3.13Å; R31-F44 HydrophobicContact CB-CD2 4.17Å; R31-F44 HydrophobicContact CB-CE2 3.61Å; R31-F44 HydrophobicContact CB-CZ 4.26Å; R31-F44 HydrophobicContact CG-CE2 4.47Å
32K94.3Very high92.1Very high123 Ų12363.5 Ų63.554%0.53532%0.316SS..Hα-helixtrans-56.8-47.1178.2179179174.7179.70111.6P28 E29 M34 E35 E36P28-K32 WeakPolarHBondContact O-CB 3.44Å; P28-K32 PolarHBondContact O-N 3.35Å; E29-K32 PolarHBondContact O-N 2.83Å; K32-M34 VanDerWaalsContact C-N 3.34Å; K32-M34 PolarHBondContact O-N 3.29Å; K32-E35 PolarHBondContact O-N 3.45Å; K32-E36 WeakPolarHBondContact CE-OE1 3.3Å; K32-E36 HydrophobicContact CG-CG 4.49Å; K32-E36 IonicContact NZ-OE1 3.73Å; K32-E36 WeakPolarHBondContact O-CB 3.39Å; K32-E36 VanDerWaalsContact O-CG 3.32Å; K32-E36 WeakPolarHBondContact O-CG 3.41Å; K32-E36 PolarHBondContact O-N 3.15Å
33Y94Very high91.8Very high33 Ų3366.3 Ų66.313%0.12933%0.33CS..Hα-helixtrans-61-43.7177.2174.2-85.1000111.8I13 M16 V17 E29 L30 R31 E36 N37I13-Y33 HydrophobicContact CB-CE1 4.3Å; I13-Y33 HydrophobicContact CG1-CE1 3.93Å; I13-Y33 HydrophobicContact CG2-CD1 3.96Å; I13-Y33 HydrophobicContact CG2-CE1 3.86Å; M16-Y33 HydrophobicContact CB-CD2 4.49Å; M16-Y33 HydrophobicContact CB-CE2 3.7Å; M16-Y33 HydrophobicContact SD-CE2 4.12Å; M16-Y33 PolarHBondContact SD-OH 2.88Å; V17-Y33 HydrophobicContact CG2-CD1 3.99Å; V17-Y33 HydrophobicContact CG2-CD2 3.92Å; V17-Y33 HydrophobicContact CG2-CG 3.54Å; E29-Y33 PolarHBondContact O-N 2.87Å; L30-Y33 PolarHBondContact O-N 3.48Å; R31-Y33 VanDerWaalsContact C-N 3.33Å; R31-Y33 PolarHBondContact O-N 2.84Å; Y33-E36 PolarHBondContact O-N 3.37Å; Y33-N37 HydrophobicContact CE1-CB 4.39Å; Y33-N37 WeakPolarHBondContact CE2-ND2 3.25Å; Y33-N37 WeakPolarHBondContact O-CB 3.29Å; Y33-N37 PolarHBondContact O-N 2.9Å; Y33-N37 PolarHBondContact O-ND2 3.02Å
34M92.6Very high91.8Very high5 Ų565.9 Ų65.93%0.02532%0.323CS..Hα-helixtrans-63.9-41.6179.6-74.9-177.5174.200112.4L30 R31 K32 N37 D38 V39 M43 F44 W47L30-M34 HydrophobicContact CD1-CE 3.61Å; L30-M34 HydrophobicContact CD1-CG 4.49Å; L30-M34 HydrophobicContact CD1-SD 4.41Å; L30-M34 HydrophobicContact CD2-CE 4.17Å; L30-M34 HydrophobicContact CG-CE 3.85Å; L30-M34 HydrophobicContact CG-SD 4.2Å; L30-M34 WeakPolarHBondContact O-CG 3.34Å; L30-M34 PolarHBondContact O-N 3.04Å; R31-M34 PolarHBondContact O-N 3.39Å; R31-M34 VanDerWaalsContact O-N 3.14Å; K32-M34 VanDerWaalsContact C-N 3.34Å; K32-M34 PolarHBondContact O-N 3.29Å; M34-N37 CarbonylContact O-C 3.54Å; M34-N37 PolarHBondContact O-N 3.02Å; M34-D38 PolarHBondContact O-N 3.09Å; M34-D38 VanDerWaalsContact O-N 3.07Å; M34-V39 HydrophobicContact CB-CB 3.84Å; M34-V39 HydrophobicContact CB-CG1 4.4Å; M34-V39 HydrophobicContact CE-CG1 4.32Å; M34-V39 HydrophobicContact CG-CB 3.82Å; M34-V39 HydrophobicContact CG-CG1 3.92Å; M34-V39 HydrophobicContact CG-CG2 4.37Å; M34-V39 PolarHBondContact O-N 3.19Å; M34-V39 HydrophobicContact SD-CG1 4.22Å; M34-M43 HydrophobicContact CE-CG 4Å; M34-M43 HydrophobicContact CE-SD 4.36Å; M34-F44 HydrophobicContact SD-CB 3.66Å; M34-F44 HydrophobicContact SD-CD2 3.86Å; M34-F44 HydrophobicContact SD-CG 4.27Å; M34-W47 HydrophobicContact CE-CG 4.1Å; M34-W47 VanDerWaalsContact CE-NE1 3.3Å
35E92.3Very high91.5Very high124 Ų12470 Ų7058%0.57934%0.342SS*.Hα-helixtrans-63.6-42.8174.7-71.3170.5-173.900111.7R31 K32 N37R31-E35 HydrophobicContact CG-CG 4.41Å; R31-E35 WeakPolarHBondContact CG-OE1 3.27Å; R31-E35 WeakPolarHBondContact O-CG 3.37Å; R31-E35 PolarHBondContact O-N 3.41Å; K32-E35 PolarHBondContact O-N 3.45Å; E35-N37 PolarHBondContact O-N 2.85Å
36E94Very high91.3Very high124 Ų12475.2 Ų75.258%0.57936%0.362SS*.Hα-helixtrans-69.1-19.5178.5-73.6175.4175.200113.7K32 Y33K32-E36 WeakPolarHBondContact CE-OE1 3.3Å; K32-E36 HydrophobicContact CG-CG 4.49Å; K32-E36 IonicContact NZ-OE1 3.73Å; K32-E36 WeakPolarHBondContact O-CB 3.39Å; K32-E36 VanDerWaalsContact O-CG 3.32Å; K32-E36 WeakPolarHBondContact O-CG 3.41Å; K32-E36 PolarHBondContact O-N 3.15Å; Y33-E36 PolarHBondContact O-N 3.37Å
37N90.4Very high91.2Very high83 Ų8374.6 Ų74.644%0.44436%0.358SS..THydrogen-bonded Turntrans-118.617.7-176.6-65.1-90.7000113Y33 M34 E35 V39Y33-N37 HydrophobicContact CE1-CB 4.39Å; Y33-N37 WeakPolarHBondContact CE2-ND2 3.25Å; Y33-N37 WeakPolarHBondContact O-CB 3.29Å; Y33-N37 PolarHBondContact O-N 2.9Å; Y33-N37 PolarHBondContact O-ND2 3.02Å; M34-N37 CarbonylContact O-C 3.54Å; M34-N37 PolarHBondContact O-N 3.02Å; E35-N37 PolarHBondContact O-N 2.85Å; N37-V39 VanDerWaalsContact C-N 3.27Å; N37-V39 HydrophobicContact CB-CG2 4.2Å; N37-V39 PolarHBondContact O-N 3.45Å
38D86.2Confident91.1Very high157 Ų15777.4 Ų77.484%0.8437%0.37SS*.THydrogen-bonded Turntrans52.238.4177.5-64.6-58.3000114.3M34M34-D38 PolarHBondContact O-N 3.09Å; M34-D38 VanDerWaalsContact O-N 3.07Å
39V84.4Confident91Very high42 Ų4277.9 Ų77.926%0.25537%0.371SS..  trans-84.5133.9178.5-179.20000110.5M34 N37 M43M34-V39 HydrophobicContact CB-CB 3.84Å; M34-V39 HydrophobicContact CB-CG1 4.4Å; M34-V39 HydrophobicContact CE-CG1 4.32Å; M34-V39 HydrophobicContact CG-CB 3.82Å; M34-V39 HydrophobicContact CG-CG1 3.92Å; M34-V39 HydrophobicContact CG-CG2 4.37Å; M34-V39 PolarHBondContact O-N 3.19Å; M34-V39 HydrophobicContact SD-CG1 4.22Å; N37-V39 VanDerWaalsContact C-N 3.27Å; N37-V39 HydrophobicContact CB-CG2 4.2Å; N37-V39 PolarHBondContact O-N 3.45Å; V39-M43 HydrophobicContact CG1-CB 4Å; V39-M43 HydrophobicContact CG1-CG 4.18Å; V39-M43 HydrophobicContact CG1-SD 3.48Å; V39-M43 WeakPolarHBondContact CG1-SD 3.34Å
40D84.1Confident90.9Very high98 Ų9877.9 Ų77.952%0.52437%0.372SS..  trans-59.2132.8-176.8-171.2-43.1000112.8K42 M43D40-K42 PolarHBondContact O-N 3.18Å; D40-K42 VanDerWaalsContact O-N 3.12Å; D40-K42 VanDerWaalsContact OD1-CB 3.27Å; D40-K42 WeakPolarHBondContact OD1-CB 3.37Å; D40-K42 WeakPolarHBondContact OD1-CG 3.27Å; D40-K42 PolarHBondContact OD1-N 2.96Å; D40-M43 WeakPolarHBondContact O-CA 3.49Å; D40-M43 WeakPolarHBondContact O-CB 3.48Å; D40-M43 PolarHBondContact O-N 3.49Å
41E86.2Confident90.9Very high89 Ų8978 Ų7842%0.41637%0.373SS..Hα-helixtrans-54.9-29.7177.4-172.465-155.500113.2R31 M43 F44 E45R31-E41 IonicContact CZ-OE1 3.29Å; R31-E41 VanDerWaalsContact CZ-OE1 3.3Å; R31-E41 IonicContact CZ-OE2 2.83Å; R31-E41 VanDerWaalsContact NH1-CD 3.28Å; R31-E41 IonicContact NH1-OE1 3.07Å; R31-E41 PolarHBondContact NH1-OE1 3.1Å; R31-E41 IonicContact NH1-OE2 3.3Å; R31-E41 PolarHBondContact NH1-OE2 3.23Å; R31-E41 IonicContact NH2-OE1 2.71Å; R31-E41 PolarHBondContact NH2-OE1 3.13Å; E41-M43 PolarHBondContact O-N 3.22Å; E41-F44 VanDerWaalsContact O-CB 3.3Å; E41-F44 WeakPolarHBondContact O-CB 3.36Å; E41-F44 PolarHBondContact O-N 3.11Å; E41-E45 PolarHBondContact O-N 3.35Å; E41-E45 VanDerWaalsContact O-N 3.13Å
42K87.9Confident91Very high164 Ų16474.8 Ų74.871%0.71336%0.361SS*.Hα-helixtrans-62.1-28.9173.5-67.4174.1-177.7168.40112.1D40 R46D40-K42 PolarHBondContact O-N 3.18Å; D40-K42 VanDerWaalsContact O-N 3.12Å; D40-K42 VanDerWaalsContact OD1-CB 3.27Å; D40-K42 WeakPolarHBondContact OD1-CB 3.37Å; D40-K42 WeakPolarHBondContact OD1-CG 3.27Å; D40-K42 PolarHBondContact OD1-N 2.96Å; K42-R46 WeakPolarHBondContact O-CB 3.32Å; K42-R46 PolarHBondContact O-N 2.81Å
43M87.6Confident91Very high66 Ų6672.8 Ų72.833%0.32536%0.361SS..Hα-helixtrans-68-44.4172.2-172.8173-9000109.9I13 M34 V39 D40 E41 E45 R46 W47I13-M43 HydrophobicContact CD1-SD 3.91Å; M34-M43 HydrophobicContact CE-CG 4Å; M34-M43 HydrophobicContact CE-SD 4.36Å; V39-M43 HydrophobicContact CG1-CB 4Å; V39-M43 HydrophobicContact CG1-CG 4.18Å; V39-M43 HydrophobicContact CG1-SD 3.48Å; V39-M43 WeakPolarHBondContact CG1-SD 3.34Å; D40-M43 WeakPolarHBondContact O-CA 3.49Å; D40-M43 WeakPolarHBondContact O-CB 3.48Å; D40-M43 PolarHBondContact O-N 3.49Å; E41-M43 PolarHBondContact O-N 3.22Å; M43-E45 PolarHBondContact O-N 3.35Å; M43-R46 WeakPolarHBondContact O-CA 3.48Å; M43-R46 WeakPolarHBondContact O-CB 3.49Å; M43-R46 PolarHBondContact O-N 2.91Å; M43-R46 VanDerWaalsContact O-N 3.09Å; M43-W47 VanDerWaalsContact O-CD1 3.24Å; M43-W47 PolarHBondContact O-N 2.95Å
44F90.4Very high90.9Very high11 Ų1179.2 Ų79.25%0.04839%0.392CS..Hα-helixtrans-55-48.6176.6-176.8-89.5000112.6M27 L30 R31 M34 E41 R46 W47 K48M27-F44 HydrophobicContact CB-CZ 4.22Å; M27-F44 HydrophobicContact CE-CD1 4.46Å; M27-F44 HydrophobicContact CE-CD2 4.4Å; M27-F44 HydrophobicContact CE-CE1 3.7Å; M27-F44 HydrophobicContact CE-CE2 3.65Å; M27-F44 HydrophobicContact CE-CZ 3.27Å; M27-F44 WeakPolarHBondContact O-CE2 3.24Å; L30-F44 HydrophobicContact CB-CE2 4.43Å; L30-F44 HydrophobicContact CD2-CD2 4.24Å; L30-F44 HydrophobicContact CD2-CE2 4.31Å; L30-F44 HydrophobicContact CG-CD2 4.25Å; L30-F44 HydrophobicContact CG-CE2 4.36Å; R31-F44 HydrophobicContact CB-CD2 4.17Å; R31-F44 HydrophobicContact CB-CE2 3.61Å; R31-F44 HydrophobicContact CB-CZ 4.26Å; R31-F44 HydrophobicContact CG-CE2 4.47Å; M34-F44 HydrophobicContact SD-CB 3.66Å; M34-F44 HydrophobicContact SD-CD2 3.86Å; M34-F44 HydrophobicContact SD-CG 4.27Å; E41-F44 VanDerWaalsContact O-CB 3.3Å; E41-F44 WeakPolarHBondContact O-CB 3.36Å; E41-F44 PolarHBondContact O-N 3.11Å; F44-R46 VanDerWaalsContact C-N 3.26Å; F44-R46 PolarHBondContact O-N 2.85Å; F44-W47 WeakPolarHBondContact O-CB 3.12Å; F44-W47 PolarHBondContact O-N 3.07Å; F44-W47 VanDerWaalsContact O-N 3.1Å; F44-K48 PolarHBondContact O-N 3.4Å; F44-K48 VanDerWaalsContact O-N 3.11Å
45E90.6Very high91Very high90 Ų9082.6 Ų82.642%0.42142%0.416SS..Hα-helixtrans-63.8-33.7177.9-70.9-56.3134.700112.6E41 M43 K48 T49E41-E45 PolarHBondContact O-N 3.35Å; E41-E45 VanDerWaalsContact O-N 3.13Å; M43-E45 PolarHBondContact O-N 3.35Å; E45-K48 PolarHBondContact O-N 2.92Å; E45-T49 WeakPolarHBondContact O-CB 3.46Å; E45-T49 PolarHBondContact O-N 3.07Å; E45-T49 PolarHBondContact O-OG1 3.46Å
46R91.6Very high91Very high110 Ų11081 Ų8142%0.41542%0.415SS..Hα-helixtrans-67.5-37.5174.1-174172.2176.6-148.3-10.3111.9F10 K42 M43 F44 T49 L50F10-R46 HydrophobicContact CZ-CG 4.38Å; K42-R46 WeakPolarHBondContact O-CB 3.32Å; K42-R46 PolarHBondContact O-N 2.81Å; M43-R46 WeakPolarHBondContact O-CA 3.48Å; M43-R46 WeakPolarHBondContact O-CB 3.49Å; M43-R46 PolarHBondContact O-N 2.91Å; M43-R46 VanDerWaalsContact O-N 3.09Å; F44-R46 VanDerWaalsContact C-N 3.26Å; F44-R46 PolarHBondContact O-N 2.85Å; R46-T49 PolarHBondContact O-N 2.79Å; R46-L50 HydrophobicContact CG-CD1 3.71Å; R46-L50 HydrophobicContact CG-CG 4.24Å; R46-L50 WeakPolarHBondContact O-CB 3.32Å; R46-L50 VanDerWaalsContact O-CG 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.43Å; R46-L50 PolarHBondContact O-N 3.14Å
47W93.5Very high91Very high0 Ų076.4 Ų76.40%040%0.401CS..Hα-helixtrans-60.4-49173.6-88.184.6000111.5F10 I13 Y14 I25 L30 M34 M43 F44 T49 L50 F51 I59 F64F10-W47 HydrophobicContact CB-CZ2 4.24Å; F10-W47 HydrophobicContact CD1-CD2 4.05Å; F10-W47 AromaticContact CD1-CE2 3.42Å; F10-W47 VanDerWaalsContact CD1-CE2 3.42Å; F10-W47 HydrophobicContact CD1-CG 4.41Å; F10-W47 HydrophobicContact CD1-CH2 4.41Å; F10-W47 AromaticContact CD1-CZ2 3.64Å; F10-W47 HydrophobicContact CD1-CZ2 3.64Å; F10-W47 AromaticContact CD1-NE1 3.38Å; F10-W47 AromaticContact CE1-CD1 3.66Å; F10-W47 HydrophobicContact CE1-CD2 4.3Å; F10-W47 AromaticContact CE1-CE2 3.91Å; F10-W47 HydrophobicContact CE1-CG 4.19Å; F10-W47 AromaticContact CE1-NE1 3.47Å; F10-W47 HydrophobicContact CG-CZ2 4.44Å; F10-W47 WeakPolarHBondContact O-CH2 3.43Å; F10-W47 WeakPolarHBondContact O-CZ2 3.44Å; I13-W47 HydrophobicContact CB-CH2 4.43Å; I13-W47 HydrophobicContact CB-CZ2 3.8Å; I13-W47 HydrophobicContact CG2-CH2 4.2Å; I13-W47 HydrophobicContact CG2-CZ2 3.61Å; Y14-W47 HydrophobicContact CD2-CH2 4.34Å; Y14-W47 HydrophobicContact CD2-CZ3 4.12Å; I25-W47 HydrophobicContact CD1-CE3 4.48Å; I25-W47 HydrophobicContact CD1-CH2 4.34Å; I25-W47 HydrophobicContact CD1-CZ3 3.85Å; L30-W47 HydrophobicContact CD1-CD2 4.2Å; L30-W47 HydrophobicContact CD1-CE3 4.45Å; L30-W47 HydrophobicContact CD1-CZ2 4.32Å; L30-W47 HydrophobicContact CD2-CB 3.63Å; L30-W47 HydrophobicContact CD2-CD2 3.68Å; L30-W47 HydrophobicContact CD2-CE3 3.85Å; L30-W47 HydrophobicContact CD2-CG 3.65Å; M34-W47 HydrophobicContact CE-CG 4.1Å; M34-W47 VanDerWaalsContact CE-NE1 3.3Å; M43-W47 VanDerWaalsContact O-CD1 3.24Å; M43-W47 PolarHBondContact O-N 2.95Å; F44-W47 WeakPolarHBondContact O-CB 3.12Å; F44-W47 PolarHBondContact O-N 3.07Å; F44-W47 VanDerWaalsContact O-N 3.1Å; W47-T49 VanDerWaalsContact C-N 3.34Å; W47-T49 PolarHBondContact O-N 3.33Å; W47-L50 PolarHBondContact O-N 2.97Å; W47-F51 HydrophobicContact CB-CD2 4.24Å; W47-F51 AromaticContact CD2-CD2 3.81Å; W47-F51 HydrophobicContact CD2-CD2 3.81Å; W47-F51 AromaticContact CD2-CE2 3.79Å; W47-F51 HydrophobicContact CD2-CE2 3.79Å; W47-F51 AromaticContact CE3-CD2 3.3Å; W47-F51 HydrophobicContact CE3-CD2 3.3Å; W47-F51 AromaticContact CE3-CE2 3.59Å; W47-F51 HydrophobicContact CE3-CE2 3.59Å; W47-F51 HydrophobicContact CE3-CG 4.29Å; W47-F51 HydrophobicContact CG-CD2 4.2Å; W47-F51 HydrophobicContact CG-CE2 4.24Å; W47-F51 AromaticContact CZ3-CD2 3.94Å; W47-F51 HydrophobicContact CZ3-CD2 3.94Å; W47-F51 HydrophobicContact CZ3-CE2 4.03Å; W47-F51 WeakPolarHBondContact O-CD2 3.39Å; W47-F51 PolarHBondContact O-N 3.34Å; W47-I59 HydrophobicContact CE3-CD1 3.68Å; W47-I59 HydrophobicContact CZ3-CD1 4.27Å; W47-F64 HydrophobicContact CH2-CD2 4.33Å; W47-F64 AromaticContact CH2-CE2 3.56Å; W47-F64 HydrophobicContact CH2-CE2 3.56Å; W47-F64 HydrophobicContact CH2-CZ 4.22Å; W47-F64 AromaticContact CZ3-CD2 3.9Å; W47-F64 HydrophobicContact CZ3-CD2 3.9Å; W47-F64 AromaticContact CZ3-CE2 3.56Å; W47-F64 HydrophobicContact CZ3-CE2 3.56Å
48K92.7Very high91.3Very high80 Ų8073.8 Ų73.835%0.34839%0.385SS..Hα-helixtrans-56.9-48.6177.3-171178.7178.5-177.80111.5M27 F44 E45 L50 D52M27-K48 HydrophobicContact CE-CB 3.78Å; M27-K48 HydrophobicContact CE-CG 4.22Å; F44-K48 PolarHBondContact O-N 3.4Å; F44-K48 VanDerWaalsContact O-N 3.11Å; E45-K48 PolarHBondContact O-N 2.92Å; K48-L50 VanDerWaalsContact C-N 3.33Å; K48-L50 PolarHBondContact O-N 3.4Å; K48-D52 CarbonylContact O-C 3.11Å; K48-D52 WeakPolarHBondContact O-CA 3.24Å; K48-D52 PolarHBondContact O-N 3.34Å; K48-D52 VanDerWaalsContact O-N 3.09Å
49T93.4Very high91.7Very high102 Ų10266.3 Ų66.363%0.62635%0.345SS*.Hα-helixtrans-63.1-37.7-178.6-56.30000112.7E45 R46 W47E45-T49 WeakPolarHBondContact O-CB 3.46Å; E45-T49 PolarHBondContact O-N 3.07Å; E45-T49 PolarHBondContact O-OG1 3.46Å; R46-T49 PolarHBondContact O-N 2.79Å; W47-T49 VanDerWaalsContact C-N 3.34Å; W47-T49 PolarHBondContact O-N 3.33Å
50L93.2Very high92.2Very high61 Ų6166.3 Ų66.332%0.31935%0.345SS..Hα-helixtrans-84.6-43.7-175.5-70.3175.2000112.9F10 R46 W47 K48 V67F10-L50 HydrophobicContact CE2-CD1 4.5Å; F10-L50 HydrophobicContact CZ-CD1 4.07Å; R46-L50 HydrophobicContact CG-CD1 3.71Å; R46-L50 HydrophobicContact CG-CG 4.24Å; R46-L50 WeakPolarHBondContact O-CB 3.32Å; R46-L50 VanDerWaalsContact O-CG 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.43Å; R46-L50 PolarHBondContact O-N 3.14Å; W47-L50 PolarHBondContact O-N 2.97Å; K48-L50 VanDerWaalsContact C-N 3.33Å; K48-L50 PolarHBondContact O-N 3.4Å; L50-V67 HydrophobicContact CB-CG1 4.43Å
51F95Very high92.6Very high3 Ų362.7 Ų62.71%0.01333%0.326CS..Hα-helixtrans-113.9-14.4-163.7-50.7-66.4000114.5F10 W47 P53 I59 K63 F64 V67 L68F10-F51 HydrophobicContact CB-CZ 4.38Å; F10-F51 AromaticContact CD1-CE2 3.63Å; F10-F51 HydrophobicContact CD1-CE2 3.63Å; F10-F51 AromaticContact CD1-CZ 3.95Å; F10-F51 HydrophobicContact CD1-CZ 3.95Å; F10-F51 HydrophobicContact CD2-CZ 4.45Å; F10-F51 AromaticContact CE1-CE2 3.84Å; F10-F51 HydrophobicContact CE1-CE2 3.84Å; F10-F51 HydrophobicContact CE1-CZ 4.34Å; F10-F51 HydrophobicContact CG-CE2 4.19Å; F10-F51 HydrophobicContact CG-CZ 4.03Å; W47-F51 HydrophobicContact CB-CD2 4.24Å; W47-F51 AromaticContact CD2-CD2 3.81Å; W47-F51 HydrophobicContact CD2-CD2 3.81Å; W47-F51 AromaticContact CD2-CE2 3.79Å; W47-F51 HydrophobicContact CD2-CE2 3.79Å; W47-F51 AromaticContact CE3-CD2 3.3Å; W47-F51 HydrophobicContact CE3-CD2 3.3Å; W47-F51 AromaticContact CE3-CE2 3.59Å; W47-F51 HydrophobicContact CE3-CE2 3.59Å; W47-F51 HydrophobicContact CE3-CG 4.29Å; W47-F51 HydrophobicContact CG-CD2 4.2Å; W47-F51 HydrophobicContact CG-CE2 4.24Å; W47-F51 AromaticContact CZ3-CD2 3.94Å; W47-F51 HydrophobicContact CZ3-CD2 3.94Å; W47-F51 HydrophobicContact CZ3-CE2 4.03Å; W47-F51 WeakPolarHBondContact O-CD2 3.39Å; W47-F51 PolarHBondContact O-N 3.34Å; F51-P53 VanDerWaalsContact C-CD 3.46Å; F51-I59 HydrophobicContact CB-CB 4.34Å; F51-I59 HydrophobicContact CB-CD1 4.27Å; F51-I59 HydrophobicContact CB-CG1 3.91Å; F51-I59 HydrophobicContact CB-CG2 3.5Å; F51-I59 HydrophobicContact CG-CG2 4.27Å; F51-K63 WeakPolarHBondContact O-CG 3.23Å; F51-F64 AromaticContact CD1-CD2 3.8Å; F51-F64 HydrophobicContact CD1-CD2 3.8Å; F51-F64 HydrophobicContact CD1-CE2 4.43Å; F51-F64 HydrophobicContact CD2-CD2 4.38Å; F51-F64 AromaticContact CE1-CD2 3.72Å; F51-F64 HydrophobicContact CE1-CD2 3.72Å; F51-F64 AromaticContact CE1-CE2 3.96Å; F51-F64 HydrophobicContact CE1-CE2 3.96Å; F51-F64 HydrophobicContact CE2-CD2 4.31Å; F51-F64 HydrophobicContact CE2-CE2 4.1Å; F51-F64 HydrophobicContact CG-CD2 4.13Å; F51-F64 AromaticContact CZ-CD2 3.98Å; F51-F64 HydrophobicContact CZ-CD2 3.98Å; F51-F64 AromaticContact CZ-CE2 3.77Å; F51-F64 HydrophobicContact CZ-CE2 3.77Å; F51-V67 HydrophobicContact CD1-CB 3.84Å; F51-V67 HydrophobicContact CD1-CG1 3.78Å; F51-V67 HydrophobicContact CD1-CG2 4.2Å; F51-V67 HydrophobicContact CE1-CB 3.84Å; F51-V67 HydrophobicContact CE1-CG1 3.52Å; F51-L68 HydrophobicContact CE1-CD1 4.43Å; F51-L68 HydrophobicContact CE1-CD2 3.91Å; F51-L68 HydrophobicContact CE1-CG 3.88Å; F51-L68 HydrophobicContact CZ-CD1 4.41Å; F51-L68 HydrophobicContact CZ-CD2 3.92Å; F51-L68 HydrophobicContact CZ-CG 4.18Å
52D96.1Very high92.8Very high6 Ų666.1 Ų66.13%0.03234%0.342CS..  trans-134.156.6173-174.229.2000111.3K48 E54 S55 T56 G57 I59K48-D52 CarbonylContact O-C 3.11Å; K48-D52 WeakPolarHBondContact O-CA 3.24Å; K48-D52 PolarHBondContact O-N 3.34Å; K48-D52 VanDerWaalsContact O-N 3.09Å; D52-E54 PolarHBondContact O-N 3.35Å; D52-S55 PolarHBondContact O-N 2.93Å; D52-S55 PolarHBondContact OD1-N 3.11Å; D52-S55 WeakPolarHBondContact OD2-CA 3.16Å; D52-T56 WeakPolarHBondContact OD1-CB 3.33Å; D52-T56 PolarHBondContact OD1-N 3.2Å; D52-T56 PolarHBondContact OD1-OG1 3.37Å; D52-T56 PolarHBondContact OD2-N 3.47Å; D52-G57 WeakPolarHBondContact OD2-CA 3.46Å; D52-G57 PolarHBondContact OD2-N 3Å; D52-I59 HydrophobicContact CB-CG1 4.03Å
53P94.2Very high93Very high81 Ų8161.2 Ų61.253%0.52632%0.32SS..THydrogen-bonded Turntrans-62.9-26.8-175.526.9-35.6000112.8F51 S55F51-P53 VanDerWaalsContact C-CD 3.46Å; P53-S55 VanDerWaalsContact C-N 3.25Å; P53-S55 PolarHBondContact O-N 3.27Å
54E93.6Very high93.2Very high168 Ų16858 Ų5879%0.78531%0.305SS*.THydrogen-bonded Turntrans-82.8-2178.1-67.1170.2-167.200112.7D52 T56D52-E54 PolarHBondContact O-N 3.35Å; E54-T56 VanDerWaalsContact C-N 3.27Å; E54-T56 HydrophobicContact CB-CG2 3.94Å; E54-T56 PolarHBondContact O-N 3.44Å
55S92.8Very high93.1Very high76 Ų7658.2 Ų58.253%0.53131%0.307SS..  trans53.943-178.1-60.60000112.9D52 P53 G57D52-S55 PolarHBondContact O-N 2.93Å; D52-S55 PolarHBondContact OD1-N 3.11Å; D52-S55 WeakPolarHBondContact OD2-CA 3.16Å; P53-S55 VanDerWaalsContact C-N 3.25Å; P53-S55 PolarHBondContact O-N 3.27Å; S55-G57 PolarHBondContact O-N 2.98Å
56T93.6Very high93.1Very high89 Ų8960 Ų6055%0.54632%0.316SS..  trans-67.5-20.8175.270.10000112.2D52 E54 R58D52-T56 WeakPolarHBondContact OD1-CB 3.33Å; D52-T56 PolarHBondContact OD1-N 3.2Å; D52-T56 PolarHBondContact OD1-OG1 3.37Å; D52-T56 PolarHBondContact OD2-N 3.47Å; E54-T56 VanDerWaalsContact C-N 3.27Å; E54-T56 HydrophobicContact CB-CG2 3.94Å; E54-T56 PolarHBondContact O-N 3.44Å; T56-R58 VanDerWaalsContact C-N 3.27Å; T56-R58 PolarHBondContact OG1-N 2.83Å; T56-R58 VanDerWaalsContact OG1-N 3.17Å; T56-R58 PolarHBondContact OG1-O 2.87Å
57G93.9Very high93.1Very high29 Ų2957.4 Ų57.430%0.29931%0.312SS..SBendtrans85-3.7-173.700000113.7T26 M27 D52 S55T26-G57 WeakPolarHBondContact CA-O 3.49Å; M27-G57 PolarHBondContact N-O 3.09Å; D52-G57 WeakPolarHBondContact OD2-CA 3.46Å; D52-G57 PolarHBondContact OD2-N 3Å; S55-G57 PolarHBondContact O-N 2.98Å
58R95.5Very high92.9Very high27 Ų2758.8 Ų58.810%0.10232%0.319CS..EExtended strand (participates in β ladder)trans-125.1140.1178.1-68.9-176.2-179.3155.19.1111.1I25 T26 T56 E110 E128 Y132I25-R58 WeakPolarHBondContact O-CA 3.14Å; T26-R58 HydrophobicContact CG2-CG 4.32Å; T56-R58 VanDerWaalsContact C-N 3.27Å; T56-R58 PolarHBondContact OG1-N 2.83Å; T56-R58 VanDerWaalsContact OG1-N 3.17Å; T56-R58 PolarHBondContact OG1-O 2.87Å; R58-E110 IonicContact CZ-OE1 3.49Å; R58-E110 VanDerWaalsContact CZ-OE1 3.29Å; R58-E110 IonicContact CZ-OE2 2.8Å; R58-E110 IonicContact NE-OE1 2.73Å; R58-E110 PolarHBondContact NE-OE1 3.33Å; R58-E110 VanDerWaalsContact NE-OE1 3.07Å; R58-E110 IonicContact NE-OE2 2.8Å; R58-E110 PolarHBondContact NE-OE2 2.93Å; R58-E110 IonicContact NH2-OE1 2.69Å; R58-E110 PolarHBondContact NH2-OE1 2.85Å; R58-E110 IonicContact NH2-OE2 3.13Å; R58-E110 PolarHBondContact NH2-OE2 3.34Å; R58-E128 IonicContact CZ-OE2 3.48Å; R58-E128 IonicContact NH1-OE2 3.73Å; R58-E128 PolarHBondContact NH1-OE2 3.43Å; R58-E128 IonicContact NH2-OE2 3.22Å; R58-E128 PolarHBondContact NH2-OE2 2.84Å; R58-Y132 PolarHBondContact NH1-OH 3.45Å
59I96Very high92.5Very high0 Ų057.9 Ų57.90%033%0.333CS..EExtended strand (participates in β ladder)trans-107.8103.4169-62156.5000107.5Y14 W24 I25 M27 L30 W47 F51 D52 F64Y14-I59 HydrophobicContact CD2-CG2 4.48Å; Y14-I59 HydrophobicContact CE2-CG2 4.04Å; Y14-I59 PolarHBondContact OH-O 3.45Å; W24-I59 VanDerWaalsContact CA-O 3.23Å; W24-I59 WeakPolarHBondContact CA-O 3.44Å; W24-I59 WeakPolarHBondContact CB-O 3.39Å; I25-I59 HydrophobicContact CD1-CD1 4.3Å; I25-I59 HydrophobicContact CG1-CB 3.88Å; I25-I59 HydrophobicContact CG1-CD1 4.24Å; I25-I59 PolarHBondContact N-O 3.04Å; I25-I59 PolarHBondContact O-N 3.15Å; M27-I59 HydrophobicContact SD-CD1 3.63Å; M27-I59 HydrophobicContact SD-CG1 4.11Å; L30-I59 HydrophobicContact CD2-CD1 4.01Å; W47-I59 HydrophobicContact CE3-CD1 3.68Å; W47-I59 HydrophobicContact CZ3-CD1 4.27Å; F51-I59 HydrophobicContact CB-CB 4.34Å; F51-I59 HydrophobicContact CB-CD1 4.27Å; F51-I59 HydrophobicContact CB-CG1 3.91Å; F51-I59 HydrophobicContact CB-CG2 3.5Å; F51-I59 HydrophobicContact CG-CG2 4.27Å; D52-I59 HydrophobicContact CB-CG1 4.03Å; I59-F64 HydrophobicContact CG2-CB 4.24Å; I59-F64 HydrophobicContact CG2-CD2 4.34Å
60T94Very high92.1Very high42 Ų4254.7 Ų54.726%0.25831%0.312SS..EExtended strand (participates in β ladder)trans-74.5149.8178.567.30000110.7W24 E62 K63 F64W24-T60 HydrophobicContact CB-CG2 4.45Å; T60-E62 PolarHBondContact O-N 3.37Å; T60-K63 PolarHBondContact O-N 3.24Å; T60-K63 WeakPolarHBondContact OG1-CB 3.45Å; T60-K63 PolarHBondContact OG1-N 2.86Å; T60-K63 VanDerWaalsContact OG1-N 3.11Å; T60-F64 VanDerWaalsContact O-CB 3.27Å; T60-F64 WeakPolarHBondContact O-CB 3.47Å; T60-F64 PolarHBondContact O-N 3.45Å
61L91.7Very high91.3Very high23 Ų2358.3 Ų58.312%0.1233%0.327CS..Hα-helixtrans-60.8-37.9176178.761.2000110.5Y14 F15 G23 F64 C65 I75 T79Y14-L61 HydrophobicContact CD1-CD1 4.22Å; Y14-L61 HydrophobicContact CE1-CB 4.25Å; Y14-L61 HydrophobicContact CE1-CD1 3.67Å; Y14-L61 HydrophobicContact CE1-CG 4.49Å; Y14-L61 VanDerWaalsContact OH-CA 3.24Å; Y14-L61 WeakPolarHBondContact OH-CA 3.24Å; Y14-L61 WeakPolarHBondContact OH-CB 3.39Å; Y14-L61 PolarHBondContact OH-N 2.99Å; F15-L61 HydrophobicContact CE1-CD1 3.98Å; F15-L61 HydrophobicContact CZ-CD1 3.8Å; G23-L61 WeakPolarHBondContact O-CB 3.26Å; G23-L61 PolarHBondContact O-N 3.48Å; L61-F64 HydrophobicContact CD1-CD1 4.47Å; L61-F64 PolarHBondContact O-N 2.69Å; L61-C65 WeakPolarHBondContact O-CB 3.47Å; L61-C65 PolarHBondContact O-N 2.67Å; L61-C65 PolarHBondContact O-SG 3Å; L61-I75 HydrophobicContact CD2-CG2 4.19Å; L61-T79 HydrophobicContact CD2-CG2 3.63Å
62E90.6Very high90.4Very high161 Ų16163.6 Ų63.675%0.75236%0.355SS*.Hα-helixtrans-57-52.9175-176.8178.3-176.200111.5T60 F64 C65 E66T60-E62 PolarHBondContact O-N 3.37Å; E62-F64 VanDerWaalsContact C-N 3.33Å; E62-F64 PolarHBondContact O-N 2.82Å; E62-C65 PolarHBondContact O-N 2.78Å; E62-E66 WeakPolarHBondContact O-CB 3.46Å; E62-E66 PolarHBondContact O-N 2.86Å
63K91.9Very high89Confident60 Ų6069.2 Ų69.226%0.26138%0.381SS..Hα-helixtrans-65.4-39.4179.5-174.554.6175.3-177.20112F51 T60 E66 V67F51-K63 WeakPolarHBondContact O-CG 3.23Å; T60-K63 PolarHBondContact O-N 3.24Å; T60-K63 WeakPolarHBondContact OG1-CB 3.45Å; T60-K63 PolarHBondContact OG1-N 2.86Å; T60-K63 VanDerWaalsContact OG1-N 3.11Å; K63-E66 WeakPolarHBondContact CD-OE2 3.38Å; K63-E66 IonicContact NZ-OE1 2.97Å; K63-E66 PolarHBondContact NZ-OE1 3Å; K63-E66 IonicContact NZ-OE2 3.22Å; K63-E66 PolarHBondContact NZ-OE2 3.48Å; K63-E66 PolarHBondContact O-N 3.22Å; K63-V67 HydrophobicContact CD-CG2 4.09Å; K63-V67 HydrophobicContact CG-CG2 4.41Å; K63-V67 VanDerWaalsContact O-CG2 3.27Å; K63-V67 WeakPolarHBondContact O-CG2 3.38Å; K63-V67 PolarHBondContact O-N 3.14Å
64F92.2Very high87.7Confident0 Ų068.2 Ų68.20%037%0.374CS..Hα-helixtrans-59.4-47.6177.2-176.5-101.1000111.6F10 Y14 W47 F51 I59 T60 L61 E62 V67 L68 L70F10-F64 HydrophobicContact CB-CE2 4.11Å; F10-F64 HydrophobicContact CB-CZ 4.02Å; F10-F64 WeakPolarHBondContact O-CZ 3.43Å; Y14-F64 HydrophobicContact CD1-CD1 4.45Å; Y14-F64 HydrophobicContact CD2-CB 4.26Å; Y14-F64 HydrophobicContact CD2-CD1 4.01Å; Y14-F64 AromaticContact CD2-CD2 3.72Å; Y14-F64 HydrophobicContact CD2-CD2 3.72Å; Y14-F64 HydrophobicContact CD2-CE1 4.27Å; Y14-F64 HydrophobicContact CD2-CE2 4.01Å; Y14-F64 AromaticContact CD2-CG 3.72Å; Y14-F64 HydrophobicContact CD2-CG 3.72Å; Y14-F64 HydrophobicContact CD2-CZ 4.27Å; Y14-F64 HydrophobicContact CE2-CB 4.08Å; Y14-F64 HydrophobicContact CE2-CD1 4.49Å; Y14-F64 HydrophobicContact CE2-CD2 4.33Å; Y14-F64 HydrophobicContact CE2-CG 4.05Å; Y14-F64 AromaticContact CG-CD1 3.99Å; Y14-F64 HydrophobicContact CG-CD1 3.99Å; Y14-F64 HydrophobicContact CG-CD2 4.34Å; Y14-F64 AromaticContact CG-CE1 3.94Å; Y14-F64 HydrophobicContact CG-CE1 3.94Å; Y14-F64 HydrophobicContact CG-CE2 4.3Å; Y14-F64 HydrophobicContact CG-CG 4.18Å; Y14-F64 HydrophobicContact CG-CZ 4.1Å; W47-F64 HydrophobicContact CH2-CD2 4.33Å; W47-F64 AromaticContact CH2-CE2 3.56Å; W47-F64 HydrophobicContact CH2-CE2 3.56Å; W47-F64 HydrophobicContact CH2-CZ 4.22Å; W47-F64 AromaticContact CZ3-CD2 3.9Å; W47-F64 HydrophobicContact CZ3-CD2 3.9Å; W47-F64 AromaticContact CZ3-CE2 3.56Å; W47-F64 HydrophobicContact CZ3-CE2 3.56Å; F51-F64 AromaticContact CD1-CD2 3.8Å; F51-F64 HydrophobicContact CD1-CD2 3.8Å; F51-F64 HydrophobicContact CD1-CE2 4.43Å; F51-F64 HydrophobicContact CD2-CD2 4.38Å; F51-F64 AromaticContact CE1-CD2 3.72Å; F51-F64 HydrophobicContact CE1-CD2 3.72Å; F51-F64 AromaticContact CE1-CE2 3.96Å; F51-F64 HydrophobicContact CE1-CE2 3.96Å; F51-F64 HydrophobicContact CE2-CD2 4.31Å; F51-F64 HydrophobicContact CE2-CE2 4.1Å; F51-F64 HydrophobicContact CG-CD2 4.13Å; F51-F64 AromaticContact CZ-CD2 3.98Å; F51-F64 HydrophobicContact CZ-CD2 3.98Å; F51-F64 AromaticContact CZ-CE2 3.77Å; F51-F64 HydrophobicContact CZ-CE2 3.77Å; I59-F64 HydrophobicContact CG2-CB 4.24Å; I59-F64 HydrophobicContact CG2-CD2 4.34Å; T60-F64 VanDerWaalsContact O-CB 3.27Å; T60-F64 WeakPolarHBondContact O-CB 3.47Å; T60-F64 PolarHBondContact O-N 3.45Å; L61-F64 HydrophobicContact CD1-CD1 4.47Å; L61-F64 PolarHBondContact O-N 2.69Å; E62-F64 VanDerWaalsContact C-N 3.33Å; E62-F64 PolarHBondContact O-N 2.82Å; F64-V67 PolarHBondContact O-N 3.3Å; F64-L68 HydrophobicContact CD1-CD1 4.27Å; F64-L68 HydrophobicContact CD2-CD1 4.38Å; F64-L68 HydrophobicContact CE1-CD1 3.6Å; F64-L68 HydrophobicContact CE2-CD1 3.73Å; F64-L68 HydrophobicContact CZ-CD1 3.28Å; F64-L68 HydrophobicContact CZ-CG 4.44Å; F64-L68 WeakPolarHBondContact O-CB 3.39Å; F64-L68 WeakPolarHBondContact O-CG 3.44Å; F64-L68 PolarHBondContact O-N 2.94Å; F64-L68 VanDerWaalsContact O-N 3.12Å; F64-L70 HydrophobicContact CD1-CD1 4.09Å; F64-L70 HydrophobicContact CE1-CD1 3.86Å
65C89.7Confident86.7Confident14 Ų1461.5 Ų61.510%0.09534%0.343CS..Hα-helixtrans-66.8-41177.2-67.60000112.5L61 E62 V67 L68 G69 L70 I75L61-C65 WeakPolarHBondContact O-CB 3.47Å; L61-C65 PolarHBondContact O-N 2.67Å; L61-C65 PolarHBondContact O-SG 3Å; E62-C65 PolarHBondContact O-N 2.78Å; C65-V67 PolarHBondContact O-N 2.99Å; C65-L68 PolarHBondContact O-N 3.43Å; C65-G69 WeakPolarHBondContact O-CA 3.37Å; C65-G69 PolarHBondContact O-N 2.91Å; C65-L70 HydrophobicContact CB-CB 4.23Å; C65-L70 PolarHBondContact O-N 3.43Å; C65-L70 VanDerWaalsContact O-N 3.15Å; C65-I75 HydrophobicContact CB-CD1 3.99Å; C65-I75 WeakPolarHBondContact SG-CD1 3.04Å
66E90.2Very high85.9Confident129 Ų12963 Ų6360%0.60335%0.345SS*.Hα-helixtrans-56.2-49.1175.5-174.5-153.413900111.1E62 K63 G69E62-E66 WeakPolarHBondContact O-CB 3.46Å; E62-E66 PolarHBondContact O-N 2.86Å; K63-E66 WeakPolarHBondContact CD-OE2 3.38Å; K63-E66 IonicContact NZ-OE1 2.97Å; K63-E66 PolarHBondContact NZ-OE1 3Å; K63-E66 IonicContact NZ-OE2 3.22Å; K63-E66 PolarHBondContact NZ-OE2 3.48Å; K63-E66 PolarHBondContact O-N 3.22Å; E66-G69 PolarHBondContact O-N 3Å
67V90.5Very high84.9Confident54 Ų5464.1 Ų64.133%0.32735%0.352SS..Hα-helixtrans-68.7-36.2-177.2172.40000112.1L50 F51 K63 F64 C65L50-V67 HydrophobicContact CB-CG1 4.43Å; F51-V67 HydrophobicContact CD1-CB 3.84Å; F51-V67 HydrophobicContact CD1-CG1 3.78Å; F51-V67 HydrophobicContact CD1-CG2 4.2Å; F51-V67 HydrophobicContact CE1-CB 3.84Å; F51-V67 HydrophobicContact CE1-CG1 3.52Å; K63-V67 HydrophobicContact CD-CG2 4.09Å; K63-V67 HydrophobicContact CG-CG2 4.41Å; K63-V67 VanDerWaalsContact O-CG2 3.27Å; K63-V67 WeakPolarHBondContact O-CG2 3.38Å; K63-V67 PolarHBondContact O-N 3.14Å; F64-V67 PolarHBondContact O-N 3.3Å; C65-V67 PolarHBondContact O-N 2.99Å
68L88.9Confident83.8Confident29 Ų2965.8 Ų65.815%0.15235%0.351CS..Hα-helixtrans-89.3-10.1-178.6-68.7-169000113.9L7 F10 F51 F64 C65 L70L7-L68 HydrophobicContact CD2-CB 3.56Å; L7-L68 HydrophobicContact CD2-CD1 4.11Å; L7-L68 HydrophobicContact CD2-CD2 3.77Å; L7-L68 HydrophobicContact CD2-CG 3.98Å; L7-L68 VanDerWaalsContact CD2-O 3.3Å; L7-L68 WeakPolarHBondContact CD2-O 3.42Å; F10-L68 HydrophobicContact CB-CD1 3.98Å; F10-L68 HydrophobicContact CD2-CD2 4.47Å; F51-L68 HydrophobicContact CE1-CD1 4.43Å; F51-L68 HydrophobicContact CE1-CD2 3.91Å; F51-L68 HydrophobicContact CE1-CG 3.88Å; F51-L68 HydrophobicContact CZ-CD1 4.41Å; F51-L68 HydrophobicContact CZ-CD2 3.92Å; F51-L68 HydrophobicContact CZ-CG 4.18Å; F64-L68 HydrophobicContact CD1-CD1 4.27Å; F64-L68 HydrophobicContact CD2-CD1 4.38Å; F64-L68 HydrophobicContact CE1-CD1 3.6Å; F64-L68 HydrophobicContact CE2-CD1 3.73Å; F64-L68 HydrophobicContact CZ-CD1 3.28Å; F64-L68 HydrophobicContact CZ-CG 4.44Å; F64-L68 WeakPolarHBondContact O-CB 3.39Å; F64-L68 WeakPolarHBondContact O-CG 3.44Å; F64-L68 PolarHBondContact O-N 2.94Å; F64-L68 VanDerWaalsContact O-N 3.12Å; C65-L68 PolarHBondContact O-N 3.43Å; L68-L70 VanDerWaalsContact C-N 3.28Å; L68-L70 HydrophobicContact CB-CD1 4.31Å; L68-L70 HydrophobicContact CB-CD2 4.21Å; L68-L70 HydrophobicContact CB-CG 3.78Å; L68-L70 HydrophobicContact CD1-CD1 4.32Å; L68-L70 PolarHBondContact O-N 2.94Å
69G85.3Confident82.9Confident62 Ų6266.4 Ų66.464%0.63936%0.358SS*.THydrogen-bonded Turntrans61.536.4-174.600000112.6C65 E66C65-G69 WeakPolarHBondContact O-CA 3.37Å; C65-G69 PolarHBondContact O-N 2.91Å; E66-G69 PolarHBondContact O-N 3Å
70L84.4Confident82.1Confident35 Ų3568.8 Ų68.818%0.18338%0.378CS..  trans-70142.6-179.5-64.6178.7000110.9L7 F64 C65 L68 I75L7-L70 HydrophobicContact CD2-CD2 4.36Å; F64-L70 HydrophobicContact CD1-CD1 4.09Å; F64-L70 HydrophobicContact CE1-CD1 3.86Å; C65-L70 HydrophobicContact CB-CB 4.23Å; C65-L70 PolarHBondContact O-N 3.43Å; C65-L70 VanDerWaalsContact O-N 3.15Å; L68-L70 VanDerWaalsContact C-N 3.28Å; L68-L70 HydrophobicContact CB-CD1 4.31Å; L68-L70 HydrophobicContact CB-CD2 4.21Å; L68-L70 HydrophobicContact CB-CG 3.78Å; L68-L70 HydrophobicContact CD1-CD1 4.32Å; L68-L70 PolarHBondContact O-N 2.94Å; L70-I75 HydrophobicContact CB-CD1 4.4Å; L70-I75 HydrophobicContact CB-CG1 4.34Å
71Q77.6Confident81.4Confident136 Ų13670.4 Ų70.464%0.63638%0.384SS*.  trans-89.4153.2177.2-63.6-178.5-25.100111.3E73 V74 I75Q71-E73 WeakPolarHBondContact CB-OE2 2.87Å; Q71-E73 PolarHBondContact O-N 2.98Å; Q71-E73 VanDerWaalsContact O-N 3.16Å; Q71-V74 PolarHBondContact O-N 3.37Å; Q71-V74 VanDerWaalsContact O-N 3.14Å; Q71-I75 WeakPolarHBondContact O-CG1 3.37Å; Q71-I75 PolarHBondContact O-N 3.41Å
72D76.5Confident80.9Confident114 Ų11476.7 Ų76.761%0.6141%0.413SS*.Hα-helixtrans-55.7-33.8-177.7-70.2-21.7000112.8V74 I75 N76D72-V74 PolarHBondContact O-N 2.7Å; D72-I75 PolarHBondContact O-N 2.77Å; D72-N76 VanDerWaalsContact O-CB 3.3Å; D72-N76 WeakPolarHBondContact O-CB 3.35Å; D72-N76 PolarHBondContact O-N 3.37Å; D72-N76 PolarHBondContact O-ND2 2.92Å
73E65.4Low80.4Confident124 Ų12471.6 Ų71.658%0.57940%0.403SS*.Hα-helixtrans-64.3-42.4-179.9-63.177.4-167.400112.4Q71 I75 N76 V77Q71-E73 WeakPolarHBondContact CB-OE2 2.87Å; Q71-E73 PolarHBondContact O-N 2.98Å; Q71-E73 VanDerWaalsContact O-N 3.16Å; E73-I75 VanDerWaalsContact C-N 3.34Å; E73-N76 PolarHBondContact O-N 2.82Å; E73-V77 WeakPolarHBondContact O-CG2 3.19Å; E73-V77 PolarHBondContact O-N 3.36Å; E73-V77 VanDerWaalsContact O-N 3.17Å
74V66.5Low80.1Confident61 Ų6172.7 Ų72.737%0.3741%0.412SS..Hα-helixtrans-65.5-43.1177.7178.30000109.8Q71 D72 V77 Q78Q71-V74 PolarHBondContact O-N 3.37Å; Q71-V74 VanDerWaalsContact O-N 3.14Å; D72-V74 PolarHBondContact O-N 2.7Å; V74-V77 PolarHBondContact O-N 3.17Å; V74-Q78 WeakPolarHBondContact O-CG 3.38Å; V74-Q78 PolarHBondContact O-N 3.19Å; V74-Q78 VanDerWaalsContact O-N 3.08Å
75I73.8Confident80Confident26 Ų2673.2 Ų73.213%0.13342%0.415CS..Hα-helixtrans-62.5-48.9178.6-60.2167.2000110.3L61 C65 L70 Q71 D72 E73 V77 Q78 T79L61-I75 HydrophobicContact CD2-CG2 4.19Å; C65-I75 HydrophobicContact CB-CD1 3.99Å; C65-I75 WeakPolarHBondContact SG-CD1 3.04Å; L70-I75 HydrophobicContact CB-CD1 4.4Å; L70-I75 HydrophobicContact CB-CG1 4.34Å; Q71-I75 WeakPolarHBondContact O-CG1 3.37Å; Q71-I75 PolarHBondContact O-N 3.41Å; D72-I75 PolarHBondContact O-N 2.77Å; E73-I75 VanDerWaalsContact C-N 3.34Å; I75-V77 VanDerWaalsContact C-N 3.3Å; I75-V77 PolarHBondContact O-N 3.41Å; I75-Q78 PolarHBondContact O-N 3.38Å; I75-T79 HydrophobicContact CG2-CG2 3.9Å; I75-T79 VanDerWaalsContact O-CB 3.29Å; I75-T79 WeakPolarHBondContact O-CB 3.45Å; I75-T79 VanDerWaalsContact O-CG2 3.25Å; I75-T79 WeakPolarHBondContact O-CG2 3.42Å; I75-T79 PolarHBondContact O-N 3.43Å; I75-T79 PolarHBondContact O-OG1 3Å
76N76.4Confident80.1Confident107 Ų10774.7 Ų74.757%0.57242%0.421SS*.Hα-helixtrans-60.3-40.6-178.1-74.6-31.5000112D72 E73 A80D72-N76 VanDerWaalsContact O-CB 3.3Å; D72-N76 WeakPolarHBondContact O-CB 3.35Å; D72-N76 PolarHBondContact O-N 3.37Å; D72-N76 PolarHBondContact O-ND2 2.92Å; E73-N76 PolarHBondContact O-N 2.82Å; N76-A80 WeakPolarHBondContact O-CB 2.88Å; N76-A80 PolarHBondContact O-N 3.02Å
77V71.5Confident80.2Confident114 Ų11476.5 Ų76.569%0.69143%0.429SS*.Hα-helixtrans-66.1-46.1176.6172.90000111.3E73 V74 I75 A80E73-V77 WeakPolarHBondContact O-CG2 3.19Å; E73-V77 PolarHBondContact O-N 3.36Å; E73-V77 VanDerWaalsContact O-N 3.17Å; V74-V77 PolarHBondContact O-N 3.17Å; I75-V77 VanDerWaalsContact C-N 3.3Å; I75-V77 PolarHBondContact O-N 3.41Å; V77-A80 WeakPolarHBondContact O-CB 3.42Å
78Q72Confident80.5Confident63 Ų6376.8 Ų76.829%0.29443%0.429SS..Hα-helixtrans-78.6-24-174.2-68.5-179.1-39.100113.4F15 V74 I75F15-Q78 HydrophobicContact CD1-CB 3.85Å; F15-Q78 HydrophobicContact CD2-CB 3.76Å; F15-Q78 VanDerWaalsContact CD2-CD 3.48Å; F15-Q78 HydrophobicContact CD2-CG 4.13Å; F15-Q78 HydrophobicContact CE1-CB 3.81Å; F15-Q78 HydrophobicContact CE2-CB 3.77Å; F15-Q78 HydrophobicContact CE2-CG 4.26Å; F15-Q78 HydrophobicContact CG-CB 3.83Å; F15-Q78 HydrophobicContact CZ-CB 3.77Å; V74-Q78 WeakPolarHBondContact O-CG 3.38Å; V74-Q78 PolarHBondContact O-N 3.19Å; V74-Q78 VanDerWaalsContact O-N 3.08Å; I75-Q78 PolarHBondContact O-N 3.38Å
79T75Confident80.9Confident41 Ų4176.1 Ų76.125%0.25243%0.426SS..THydrogen-bonded Turntrans-94.10.4175.762.90000114.1F15 L61 I75 I81F15-T79 HydrophobicContact CE1-CG2 3.85Å; L61-T79 HydrophobicContact CD2-CG2 3.63Å; I75-T79 HydrophobicContact CG2-CG2 3.9Å; I75-T79 VanDerWaalsContact O-CB 3.29Å; I75-T79 WeakPolarHBondContact O-CB 3.45Å; I75-T79 VanDerWaalsContact O-CG2 3.25Å; I75-T79 WeakPolarHBondContact O-CG2 3.42Å; I75-T79 PolarHBondContact O-N 3.43Å; I75-T79 PolarHBondContact O-OG1 3Å; T79-I81 PolarHBondContact O-N 3.02Å; T79-I81 VanDerWaalsContact O-N 3.09Å
80A79.8Confident81.4Confident49 Ų4979 Ų7941%0.40542%0.423SS..  trans-59.7115-178.600000111K21 N76 V77 Q82K21-A80 PolarHBondContact NZ-O 2.85Å; N76-A80 WeakPolarHBondContact O-CB 2.88Å; N76-A80 PolarHBondContact O-N 3.02Å; V77-A80 WeakPolarHBondContact O-CB 3.42Å; A80-Q82 PolarHBondContact O-N 2.65Å
81I80.5Confident82Confident76 Ų7680 Ų8039%0.3943%0.43SS..  trans-67.7127.9-176.2-62.9164.9000109.9T79 E85 T98 L102T79-I81 PolarHBondContact O-N 3.02Å; T79-I81 VanDerWaalsContact O-N 3.09Å; I81-E85 WeakPolarHBondContact CG2-OE2 3.28Å; I81-T98 HydrophobicContact CD1-CG2 3.82Å; I81-T98 HydrophobicContact CG2-CG2 4.12Å; I81-L102 HydrophobicContact CD1-CD1 3.72Å; I81-L102 HydrophobicContact CG1-CD1 3.82Å; I81-L102 HydrophobicContact CG2-CD1 4.33Å
82Q80.9Confident83Confident155 Ų15576.9 Ų76.972%0.72442%0.417SS*.  trans-101.1-10.3-174.7-67178.9-4.300113.1A80 E85A80-Q82 PolarHBondContact O-N 2.65Å; Q82-E85 PolarHBondContact N-OE1 2.91Å; Q82-E85 PolarHBondContact N-OE2 2.83Å
83G78.7Confident83.9Confident54 Ų5476.4 Ų76.456%0.55741%0.411SS*.SBendtrans97.9-12.9174.400000114.2E85G83-E85 WeakPolarHBondContact CA-OE2 3.3Å; G83-E85 PolarHBondContact N-OE2 3.08Å
84N86.8Confident85.5Confident83 Ų8372.6 Ų72.644%0.44440%0.396SS..  trans-83.3-15.2176.263.6-22.1000113.2M86 Q87N84-M86 PolarHBondContact O-N 2.92Å; N84-M86 VanDerWaalsContact O-N 3.13Å; N84-Q87 VanDerWaalsContact O-CB 3.3Å; N84-Q87 WeakPolarHBondContact O-CB 3.46Å; N84-Q87 VanDerWaalsContact O-CG 3.28Å; N84-Q87 WeakPolarHBondContact O-CG 3.43Å; N84-Q87 PolarHBondContact O-N 2.96Å; N84-Q87 VanDerWaalsContact O-N 3.08Å
85E89.5Confident87Confident11 Ų1172.8 Ų72.85%0.05140%0.395CS..THydrogen-bonded Turntrans-69-12.1-174.8-55.589.5158.900113.6R20 K21 I81 Q82 G83 L102R20-E85 PolarHBondContact NH1-O 3.13Å; K21-E85 HydrophobicContact CD-CG 4.24Å; K21-E85 WeakPolarHBondContact CD-OE1 3.45Å; K21-E85 WeakPolarHBondContact CE-OE1 3.16Å; K21-E85 HydrophobicContact CG-CG 4.42Å; K21-E85 IonicContact NZ-OE1 2.71Å; K21-E85 PolarHBondContact NZ-OE1 2.79Å; I81-E85 WeakPolarHBondContact CG2-OE2 3.28Å; Q82-E85 PolarHBondContact N-OE1 2.91Å; Q82-E85 PolarHBondContact N-OE2 2.83Å; G83-E85 WeakPolarHBondContact CA-OE2 3.3Å; G83-E85 PolarHBondContact N-OE2 3.08Å; E85-L102 HydrophobicContact CB-CD1 4.31Å; E85-L102 HydrophobicContact CB-CD2 3.51Å
86M92.3Very high88.1Confident46 Ų4671.9 Ų71.923%0.22739%0.39CS..THydrogen-bonded Turntrans-11518.4173.9-64.2-170.7-63.600112.9N84 D88 V89 T98 K101 L102N84-M86 PolarHBondContact O-N 2.92Å; N84-M86 VanDerWaalsContact O-N 3.13Å; M86-D88 PolarHBondContact O-N 3.18Å; M86-V89 HydrophobicContact CB-CB 4.37Å; M86-V89 WeakPolarHBondContact O-CB 3.49Å; M86-V89 PolarHBondContact O-N 3.16Å; M86-T98 HydrophobicContact CE-CG2 3.69Å; M86-T98 HydrophobicContact SD-CG2 4.24Å; M86-K101 HydrophobicContact SD-CB 3.96Å; M86-K101 HydrophobicContact SD-CD 4.06Å; M86-L102 HydrophobicContact CG-CD2 3.47Å; M86-L102 VanDerWaalsContact CG-CD2 3.47Å; M86-L102 HydrophobicContact CG-CG 4.43Å; M86-L102 HydrophobicContact SD-CD2 4.38Å
87Q92.7Very high89Confident166 Ų16671 Ų7178%0.77639%0.386SS*.THydrogen-bonded Turntrans-60.3-28.1-174.466.9-175.9-300114.3N84 V89N84-Q87 VanDerWaalsContact O-CB 3.3Å; N84-Q87 WeakPolarHBondContact O-CB 3.46Å; N84-Q87 VanDerWaalsContact O-CG 3.28Å; N84-Q87 WeakPolarHBondContact O-CG 3.43Å; N84-Q87 PolarHBondContact O-N 2.96Å; N84-Q87 VanDerWaalsContact O-N 3.08Å; Q87-V89 VanDerWaalsContact C-N 3.3Å
88D95.5Very high90.1Very high60 Ų6068.1 Ų68.132%0.32137%0.369SS..THydrogen-bonded Turntrans-88.54.4178.964.2-43.5000113.1R20 M86 K162R20-D88 IonicContact CZ-OD1 2.91Å; R20-D88 IonicContact CZ-OD2 2.73Å; R20-D88 IonicContact NH1-OD1 3.85Å; R20-D88 PolarHBondContact NH1-OD1 2.67Å; R20-D88 IonicContact NH1-OD2 2.57Å; R20-D88 IonicContact NH2-OD1 3.43Å; R20-D88 PolarHBondContact NH2-OD1 3.29Å; R20-D88 IonicContact NH2-OD2 3.27Å; R20-D88 PolarHBondContact NH2-OD2 2.79Å; M86-D88 PolarHBondContact O-N 3.18Å; D88-K162 WeakPolarHBondContact OD2-CE 3.43Å; D88-K162 IonicContact OD2-NZ 2.85Å; D88-K162 PolarHBondContact OD2-NZ 2.97Å
89V97.3Very high91Very high15 Ų1572 Ų729%0.09139%0.385CS..  trans-118115.3-172.5178.30000110.3M86 Q87 V91 F158 F160 K162M86-V89 HydrophobicContact CB-CB 4.37Å; M86-V89 WeakPolarHBondContact O-CB 3.49Å; M86-V89 PolarHBondContact O-N 3.16Å; Q87-V89 VanDerWaalsContact C-N 3.3Å; V89-V91 HydrophobicContact CG1-CG2 4.32Å; V89-F158 HydrophobicContact CG1-CZ 4.03Å; V89-F160 HydrophobicContact CG1-CB 3.78Å; V89-F160 HydrophobicContact CG1-CD2 3.58Å; V89-F160 HydrophobicContact CG1-CE2 4.4Å; V89-F160 HydrophobicContact CG1-CG 3.87Å; V89-K162 HydrophobicContact CG2-CD 4.44Å; V89-K162 HydrophobicContact CG2-CG 4.39Å
90H97.2Very high92Very high123 Ų12370.9 Ų70.957%0.56938%0.376SS*.EExtended strand (participates in β ladder)trans-93103.9172.3178.571.4000110.4I92 F160 I161H90-I92 PolarHBondContact O-N 3.37Å; H90-F160 CarbonylContact O-C 3.26Å; H90-F160 WeakPolarHBondContact O-CA 3.23Å; H90-F160 WeakPolarHBondContact O-CB 3.42Å; H90-I161 HydrophobicContact CB-CB 4.21Å; H90-I161 PolarHBondContact N-O 3.44Å; H90-I161 PolarHBondContact O-N 3.49Å
91V97Very high92.9Very high55 Ų5569.7 Ų69.733%0.33336%0.362SS..EExtended strand (participates in β ladder)trans-72.2122.9-179.9-175.70000110.8V89 T94 F158V89-V91 HydrophobicContact CG1-CG2 4.32Å; V91-T94 HydrophobicContact CG1-CG2 3.47Å; V91-T94 VanDerWaalsContact CG1-CG2 3.47Å; V91-F158 HydrophobicContact CG1-CE2 4.29Å; V91-F158 HydrophobicContact CG2-CE2 4.02Å
92I97Very high93.6Very high71 Ų7166.1 Ų66.136%0.36434%0.344SS..EExtended strand (participates in β ladder)trans-87.4-50.8174-62.4168.4000109.8H90 C159 I161 I166H90-I92 PolarHBondContact O-N 3.37Å; I92-C159 HydrophobicContact CB-CB 4.46Å; I92-C159 PolarHBondContact N-O 2.84Å; I92-I161 HydrophobicContact CD1-CD1 4.24Å; I92-I161 HydrophobicContact CD1-CG1 3.74Å; I92-I161 HydrophobicContact CG1-CG1 4.12Å; I92-I166 HydrophobicContact CD1-CG1 4.44Å; I92-I166 HydrophobicContact CD1-CG2 4Å
93Q96.9Very high94.4Very high105 Ų10559.3 Ų59.349%0.49131%0.313SS..EExtended strand (participates in β ladder)trans-158.5138-178.4-174.4-178.74.500110.4C159Q93-C159 HydrophobicContact CB-CB 4.39Å; Q93-C159 PolarHBondContact N-O 2.8Å; Q93-C159 WeakPolarHBondContact O-CA 3.44Å; Q93-C159 PolarHBondContact O-N 3.05Å
94T98.1Very high95.3Very high43 Ų4356.8 Ų56.826%0.26429%0.286SS..EExtended strand (participates in β ladder)trans-165.4147.1176.9-174.90000112V91 M96 K101 N157V91-T94 HydrophobicContact CG1-CG2 3.47Å; V91-T94 VanDerWaalsContact CG1-CG2 3.47Å; T94-M96 WeakPolarHBondContact OG1-CB 3.43Å; T94-M96 PolarHBondContact OG1-N 3.22Å; T94-M96 VanDerWaalsContact OG1-N 3.08Å; T94-K101 WeakPolarHBondContact OG1-CE 3.16Å; T94-N157 VanDerWaalsContact CA-O 3.23Å; T94-N157 WeakPolarHBondContact CA-O 3.19Å; T94-N157 WeakPolarHBondContact CB-O 3.31Å; T94-N157 PolarHBondContact OG1-O 3.46Å
95D98Very high95.8Very high66 Ų6652.8 Ų52.835%0.35327%0.265SS..  trans-115.43.6163.761.9-4.5000112.1H152 G155 Y156 N157D95-H152 IonicContact OD1-NE2 3.41Å; D95-H152 IonicContact OD2-CD2 3.97Å; D95-H152 PolarHBondContact OD2-CD2 3.29Å; D95-H152 IonicContact OD2-NE2 2.93Å; D95-H152 PolarHBondContact OD2-NE2 2.97Å; D95-G155 VanDerWaalsContact CG-N 3.25Å; D95-G155 PolarHBondContact OD2-N 2.93Å; D95-Y156 PolarHBondContact OD1-N 3.4Å; D95-N157 PolarHBondContact N-O 3.32Å; D95-N157 WeakPolarHBondContact OD1-CA 2.94Å; D95-N157 WeakPolarHBondContact OD1-CB 3.46Å; D95-N157 PolarHBondContact OD1-N 2.88Å
96M97.3Very high96.1Very high6 Ų652.3 Ų52.33%0.0326%0.263CS..SBendtrans-75.5146.6-176.4-171.8-178-71.100112.3T94 M100 K101 I104 W137 G155 N157 F158T94-M96 WeakPolarHBondContact OG1-CB 3.43Å; T94-M96 PolarHBondContact OG1-N 3.22Å; T94-M96 VanDerWaalsContact OG1-N 3.08Å; M96-M100 HydrophobicContact CE-CG 4.29Å; M96-M100 HydrophobicContact CE-SD 3.83Å; M96-M100 HydrophobicContact CG-CB 3.73Å; M96-M100 HydrophobicContact CG-CG 3.84Å; M96-M100 HydrophobicContact CG-SD 3.65Å; M96-M100 HydrophobicContact SD-CB 3.85Å; M96-M100 HydrophobicContact SD-CG 3.49Å; M96-M100 WeakPolarHBondContact SD-CG 3.47Å; M96-M100 HydrophobicContact SD-SD 3.7Å; M96-M100 VanDerWaalsContact SD-SD 3.7Å; M96-K101 HydrophobicContact CB-CG 4.27Å; M96-K101 HydrophobicContact CG-CG 4.19Å; M96-K101 WeakPolarHBondContact O-CE 3.48Å; M96-K101 PolarHBondContact O-NZ 2.71Å; M96-K101 HydrophobicContact SD-CG 4.06Å; M96-I104 HydrophobicContact CE-CD1 3.55Å; M96-I104 HydrophobicContact SD-CD1 3.36Å; M96-I104 WeakPolarHBondContact SD-CD1 3.37Å; M96-W137 HydrophobicContact CE-CH2 3.76Å; M96-W137 HydrophobicContact CE-CZ3 3.88Å; M96-G155 VanDerWaalsContact CA-O 3.3Å; M96-G155 WeakPolarHBondContact CA-O 3.48Å; M96-N157 WeakPolarHBondContact CB-O 3.41Å; M96-F158 HydrophobicContact CE-CB 3.73Å; M96-F158 HydrophobicContact SD-CB 3.84Å; M96-F158 HydrophobicContact SD-CD1 4.31Å; M96-F158 HydrophobicContact SD-CG 4.33Å
97N95.4Very high96.4Very high90 Ų9050.1 Ų50.148%0.48125%0.252SS..  trans-70.9157175.172.363.4000111.8K99 M100 K101N97-K99 PolarHBondContact O-N 3.06Å; N97-K99 PolarHBondContact OD1-N 3.41Å; N97-M100 PolarHBondContact O-N 2.94Å; N97-M100 PolarHBondContact OD1-N 3.29Å; N97-K101 WeakPolarHBondContact O-CG 3.34Å; N97-K101 PolarHBondContact O-N 3.35Å; N97-K101 VanDerWaalsContact O-N 3.16Å
98T93.9Very high96.7Very high53 Ų5342.2 Ų42.233%0.32522%0.215SC..Hα-helixtrans-63.3-38.2-174.3-49.20000113.3I81 M86 M100 K101 L102I81-T98 HydrophobicContact CD1-CG2 3.82Å; I81-T98 HydrophobicContact CG2-CG2 4.12Å; M86-T98 HydrophobicContact CE-CG2 3.69Å; M86-T98 HydrophobicContact SD-CG2 4.24Å; T98-M100 VanDerWaalsContact C-N 3.34Å; T98-M100 PolarHBondContact O-N 3.43Å; T98-K101 WeakPolarHBondContact O-CB 3.49Å; T98-K101 PolarHBondContact O-N 3.22Å; T98-L102 HydrophobicContact CG2-CD1 4.25Å; T98-L102 HydrophobicContact CG2-CG 4.35Å; T98-L102 WeakPolarHBondContact O-CG 3.4Å; T98-L102 PolarHBondContact O-N 3.07Å
99K92.2Very high96.6Very high145 Ų14541.3 Ų41.363%0.6321%0.211SC*.Hα-helixtrans-59.6-46.1179.7-174176.4-178.8177.80111.2N97 L102 T103N97-K99 PolarHBondContact O-N 3.06Å; N97-K99 PolarHBondContact OD1-N 3.41Å; K99-L102 PolarHBondContact O-N 3.27Å; K99-T103 PolarHBondContact O-N 3.2Å; K99-T103 PolarHBondContact O-OG1 3.18Å
100M96.1Very high96.5Very high16 Ų1642 Ų428%0.07921%0.213CC..Hα-helixtrans-66.8-37.3178.2-170.1179.5-73.700112.2M96 N97 T98 L102 T103 I104 F133 W137 Y156M96-M100 HydrophobicContact CE-CG 4.29Å; M96-M100 HydrophobicContact CE-SD 3.83Å; M96-M100 HydrophobicContact CG-CB 3.73Å; M96-M100 HydrophobicContact CG-CG 3.84Å; M96-M100 HydrophobicContact CG-SD 3.65Å; M96-M100 HydrophobicContact SD-CB 3.85Å; M96-M100 HydrophobicContact SD-CG 3.49Å; M96-M100 WeakPolarHBondContact SD-CG 3.47Å; M96-M100 HydrophobicContact SD-SD 3.7Å; M96-M100 VanDerWaalsContact SD-SD 3.7Å; N97-M100 PolarHBondContact O-N 2.94Å; N97-M100 PolarHBondContact OD1-N 3.29Å; T98-M100 VanDerWaalsContact C-N 3.34Å; T98-M100 PolarHBondContact O-N 3.43Å; M100-L102 PolarHBondContact O-N 2.88Å; M100-T103 WeakPolarHBondContact O-CB 3.47Å; M100-T103 PolarHBondContact O-N 2.92Å; M100-I104 HydrophobicContact CG-CD1 4.41Å; M100-I104 WeakPolarHBondContact O-CG1 3.46Å; M100-I104 PolarHBondContact O-N 3.47Å; M100-F133 HydrophobicContact CB-CZ 4.46Å; M100-F133 HydrophobicContact CE-CD1 3.82Å; M100-F133 HydrophobicContact CE-CE1 4Å; M100-F133 HydrophobicContact CE-CG 4.12Å; M100-F133 HydrophobicContact CE-CZ 4.43Å; M100-F133 HydrophobicContact CG-CD2 4.25Å; M100-F133 HydrophobicContact CG-CE1 4.21Å; M100-F133 HydrophobicContact CG-CE2 3.74Å; M100-F133 HydrophobicContact CG-CZ 3.71Å; M100-W137 HydrophobicContact SD-CH2 3.98Å; M100-W137 HydrophobicContact SD-CZ2 4.38Å; M100-Y156 HydrophobicContact CE-CD1 4.06Å; M100-Y156 HydrophobicContact CE-CE1 3.61Å; M100-Y156 HydrophobicContact SD-CD1 3.87Å; M100-Y156 HydrophobicContact SD-CE1 4.06Å
101K97.6Very high96.5Very high25 Ų2536.1 Ų36.111%0.10919%0.186CC..Hα-helixtrans-59.2-46.2172.4-67.7171.8-175.9155.50111.9M86 T94 M96 N97 T98 T103 I104 C105 F158M86-K101 HydrophobicContact SD-CB 3.96Å; M86-K101 HydrophobicContact SD-CD 4.06Å; T94-K101 WeakPolarHBondContact OG1-CE 3.16Å; M96-K101 HydrophobicContact CB-CG 4.27Å; M96-K101 HydrophobicContact CG-CG 4.19Å; M96-K101 WeakPolarHBondContact O-CE 3.48Å; M96-K101 PolarHBondContact O-NZ 2.71Å; M96-K101 HydrophobicContact SD-CG 4.06Å; N97-K101 WeakPolarHBondContact O-CG 3.34Å; N97-K101 PolarHBondContact O-N 3.35Å; N97-K101 VanDerWaalsContact O-N 3.16Å; T98-K101 WeakPolarHBondContact O-CB 3.49Å; T98-K101 PolarHBondContact O-N 3.22Å; K101-T103 VanDerWaalsContact C-N 3.34Å; K101-T103 PolarHBondContact O-N 2.86Å; K101-I104 PolarHBondContact O-N 3.43Å; K101-C105 PolarHBondContact O-N 2.97Å; K101-C105 PolarHBondContact O-SG 3.46Å; K101-F158 HydrophobicContact CB-CD1 4.23Å; K101-F158 HydrophobicContact CB-CE1 3.73Å; K101-F158 HydrophobicContact CB-CZ 3.88Å; K101-F158 HydrophobicContact CD-CD2 4.33Å; K101-F158 HydrophobicContact CD-CE2 4Å; K101-F158 HydrophobicContact CD-CZ 4.16Å; K101-F158 HydrophobicContact CG-CD1 3.94Å; K101-F158 HydrophobicContact CG-CD2 4.08Å; K101-F158 HydrophobicContact CG-CE1 3.82Å; K101-F158 HydrophobicContact CG-CE2 3.96Å; K101-F158 HydrophobicContact CG-CG 4.07Å; K101-F158 HydrophobicContact CG-CZ 3.83Å
102L95.8Very high96.4Very high1 Ų135.6 Ų35.61%0.00518%0.18CC..Hα-helixtrans-62.8-40.7178.9-67.8174.3000111.9R20 K21 I81 E85 M86 T98 K99 M100 C105 G106R20-L102 HydrophobicContact CG-CD2 4.09Å; K21-L102 HydrophobicContact CB-CD1 4.36Å; I81-L102 HydrophobicContact CD1-CD1 3.72Å; I81-L102 HydrophobicContact CG1-CD1 3.82Å; I81-L102 HydrophobicContact CG2-CD1 4.33Å; E85-L102 HydrophobicContact CB-CD1 4.31Å; E85-L102 HydrophobicContact CB-CD2 3.51Å; M86-L102 HydrophobicContact CG-CD2 3.47Å; M86-L102 VanDerWaalsContact CG-CD2 3.47Å; M86-L102 HydrophobicContact CG-CG 4.43Å; M86-L102 HydrophobicContact SD-CD2 4.38Å; T98-L102 HydrophobicContact CG2-CD1 4.25Å; T98-L102 HydrophobicContact CG2-CG 4.35Å; T98-L102 WeakPolarHBondContact O-CG 3.4Å; T98-L102 PolarHBondContact O-N 3.07Å; K99-L102 PolarHBondContact O-N 3.27Å; M100-L102 PolarHBondContact O-N 2.88Å; L102-C105 PolarHBondContact O-N 3.4Å; L102-G106 PolarHBondContact O-N 3.29Å
103T96.5Very high96.2Very high11 Ų1139.6 Ų39.67%0.06720%0.201CC..Hα-helixtrans-58.6-49.4171-65.40000111.6K22 W24 K99 M100 K101 C105 G106 L107 F133K22-T103 PolarHBondContact O-OG1 3.44Å; W24-T103 HydrophobicContact CH2-CG2 3.71Å; W24-T103 WeakPolarHBondContact CH2-O 2.93Å; W24-T103 HydrophobicContact CZ3-CG2 3.57Å; K99-T103 PolarHBondContact O-N 3.2Å; K99-T103 PolarHBondContact O-OG1 3.18Å; M100-T103 WeakPolarHBondContact O-CB 3.47Å; M100-T103 PolarHBondContact O-N 2.92Å; K101-T103 VanDerWaalsContact C-N 3.34Å; K101-T103 PolarHBondContact O-N 2.86Å; T103-C105 PolarHBondContact O-N 3.41Å; T103-G106 PolarHBondContact O-N 3.24Å; T103-L107 HydrophobicContact CG2-CD1 4.48Å; T103-L107 PolarHBondContact O-N 2.9Å; T103-F133 HydrophobicContact CG2-CE2 3.67Å; T103-F133 HydrophobicContact CG2-CZ 3.43Å; T103-F133 VanDerWaalsContact CG2-CZ 3.43Å
104I98.4Very high96.1Very high1 Ų139.2 Ų39.21%0.00520%0.202CC..Hα-helixtrans-60.2-45.9177.8-70.7167.7000111.3M96 M100 K101 G106 L107 I108 L129 W137 F158 F160 V169M96-I104 HydrophobicContact CE-CD1 3.55Å; M96-I104 HydrophobicContact SD-CD1 3.36Å; M96-I104 WeakPolarHBondContact SD-CD1 3.37Å; M100-I104 HydrophobicContact CG-CD1 4.41Å; M100-I104 WeakPolarHBondContact O-CG1 3.46Å; M100-I104 PolarHBondContact O-N 3.47Å; K101-I104 PolarHBondContact O-N 3.43Å; I104-G106 VanDerWaalsContact C-N 3.3Å; I104-G106 PolarHBondContact O-N 3.48Å; I104-L107 PolarHBondContact O-N 3Å; I104-I108 HydrophobicContact CG2-CD1 3.92Å; I104-I108 WeakPolarHBondContact O-CG1 3.43Å; I104-I108 PolarHBondContact O-N 3.04Å; I104-L129 HydrophobicContact CD1-CD2 4.28Å; I104-L129 HydrophobicContact CG1-CD2 3.6Å; I104-W137 HydrophobicContact CD1-CH2 4.47Å; I104-W137 HydrophobicContact CD1-CZ3 4.35Å; I104-F158 HydrophobicContact CB-CD1 4.29Å; I104-F158 HydrophobicContact CD1-CD1 4.05Å; I104-F158 HydrophobicContact CG2-CD1 4.09Å; I104-F158 HydrophobicContact CG2-CE1 4.37Å; I104-F160 HydrophobicContact CG2-CE1 4.34Å; I104-F160 HydrophobicContact CG2-CZ 4.18Å; I104-V169 HydrophobicContact CD1-CG1 4.02Å; I104-V169 HydrophobicContact CG2-CG1 4.45Å; I104-V169 HydrophobicContact CG2-CG2 4.38Å
105C97.7Very high96Very high0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-62.1-38.6177-66.90000111.9K101 L102 T103 I108 D109K101-C105 PolarHBondContact O-N 2.97Å; K101-C105 PolarHBondContact O-SG 3.46Å; L102-C105 PolarHBondContact O-N 3.4Å; T103-C105 PolarHBondContact O-N 3.41Å; C105-I108 PolarHBondContact O-N 3.47Å; C105-D109 PolarHBondContact O-N 3.25Å
106G96.2Very high95.7Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-64.5-39.7174.700000113.4L102 T103 I104 I108 D109 E110L102-G106 PolarHBondContact O-N 3.29Å; T103-G106 PolarHBondContact O-N 3.24Å; I104-G106 VanDerWaalsContact C-N 3.3Å; I104-G106 PolarHBondContact O-N 3.48Å; G106-I108 VanDerWaalsContact C-N 3.31Å; G106-D109 PolarHBondContact O-N 2.81Å; G106-E110 WeakPolarHBondContact O-CB 3.35Å; G106-E110 PolarHBondContact O-N 3.22Å
107L97.8Very high95.6Very high0 Ų050.4 Ų50.40%025%0.249CC..Hα-helixtrans-63.9-37.9172.2-72.3171.6000111.4W24 T103 I104 G111 F124 L125 E128 L129 Y132W24-L107 HydrophobicContact CH2-CD2 3.94Å; W24-L107 HydrophobicContact CH2-CG 3.74Å; W24-L107 HydrophobicContact CZ2-CD2 3.65Å; W24-L107 HydrophobicContact CZ2-CG 3.84Å; T103-L107 HydrophobicContact CG2-CD1 4.48Å; T103-L107 PolarHBondContact O-N 2.9Å; I104-L107 PolarHBondContact O-N 3Å; L107-G111 PolarHBondContact O-N 3.17Å; L107-F124 WeakPolarHBondContact O-CE1 3.35Å; L107-L125 HydrophobicContact CB-CD2 3.74Å; L107-E128 HydrophobicContact CD1-CB 3.92Å; L107-E128 HydrophobicContact CD2-CB 3.83Å; L107-E128 HydrophobicContact CD2-CG 4.1Å; L107-E128 HydrophobicContact CG-CB 4.49Å; L107-L129 HydrophobicContact CD1-CD2 3.86Å; L107-L129 HydrophobicContact CD1-CG 4.29Å; L107-Y132 HydrophobicContact CD1-CD2 4.49Å; L107-Y132 HydrophobicContact CD2-CE2 4.27Å
108I97.7Very high95.7Very high0 Ų047.6 Ų47.60%023%0.234CC..Hα-helixtrans-67.3-45.7177.1-70165.9000111.1I104 C105 G106 E110 G111 I112 L125 F160 K162 F167I104-I108 HydrophobicContact CG2-CD1 3.92Å; I104-I108 WeakPolarHBondContact O-CG1 3.43Å; I104-I108 PolarHBondContact O-N 3.04Å; C105-I108 PolarHBondContact O-N 3.47Å; G106-I108 VanDerWaalsContact C-N 3.31Å; I108-E110 VanDerWaalsContact C-N 3.3Å; I108-E110 PolarHBondContact O-N 2.8Å; I108-G111 PolarHBondContact O-N 3.22Å; I108-I112 HydrophobicContact CG2-CD1 3.52Å; I108-I112 HydrophobicContact CG2-CG1 4.16Å; I108-I112 WeakPolarHBondContact O-CB 3.23Å; I108-I112 VanDerWaalsContact O-CG1 3.31Å; I108-I112 WeakPolarHBondContact O-CG1 3.31Å; I108-I112 PolarHBondContact O-N 2.71Å; I108-L125 HydrophobicContact CB-CD2 4.5Å; I108-L125 HydrophobicContact CG1-CD1 3.75Å; I108-L125 HydrophobicContact CG1-CD2 3.67Å; I108-L125 HydrophobicContact CG1-CG 4.37Å; I108-F160 HydrophobicContact CD1-CE2 3.89Å; I108-F160 HydrophobicContact CD1-CZ 3.4Å; I108-K162 HydrophobicContact CG2-CD 3.95Å; I108-F167 HydrophobicContact CD1-CD1 3.88Å; I108-F167 HydrophobicContact CD1-CD2 4.42Å; I108-F167 HydrophobicContact CD1-CE1 4Å; I108-F167 HydrophobicContact CD1-CG 4.1Å; I108-F167 HydrophobicContact CD1-CZ 4.32Å; I108-F167 HydrophobicContact CG1-CE1 4.23Å; I108-F167 HydrophobicContact CG2-CE1 4.24Å; I108-F167 HydrophobicContact CG2-CE2 4.25Å; I108-F167 HydrophobicContact CG2-CZ 3.78Å
109D95.2Very high95.9Very high42 Ų4249.1 Ų49.123%0.22525%0.247CC..Hα-helixtrans-56.6-46.4175.8-72.7-21.4000111.1R20 C105 G106 L113 K162R20-D109 IonicContact CZ-OD2 2.69Å; R20-D109 IonicContact NE-OD2 3.91Å; R20-D109 PolarHBondContact NE-OD2 3.41Å; R20-D109 IonicContact NH2-OD1 2.91Å; R20-D109 PolarHBondContact NH2-OD1 3.09Å; R20-D109 IonicContact NH2-OD2 3.97Å; R20-D109 PolarHBondContact NH2-OD2 3.23Å; C105-D109 PolarHBondContact O-N 3.25Å; G106-D109 PolarHBondContact O-N 2.81Å; D109-L113 WeakPolarHBondContact O-CG 3.3Å; D109-K162 WeakPolarHBondContact OD1-CE 3.31Å; D109-K162 IonicContact OD1-NZ 2.93Å; D109-K162 PolarHBondContact OD1-NZ 3.4Å
110E95Very high96.2Very high29 Ų2947.7 Ų47.714%0.13624%0.24CC..Hα-helixtrans-64.1-48.3176.8-172.9-178.2142.100111.7W24 T26 R58 G106 I108 I112 L113 I114W24-E110 PolarHBondContact NE1-OE2 3.12Å; T26-E110 HydrophobicContact CG2-CG 4.26Å; T26-E110 WeakPolarHBondContact CG2-OE2 3.27Å; R58-E110 IonicContact CZ-OE1 3.49Å; R58-E110 VanDerWaalsContact CZ-OE1 3.29Å; R58-E110 IonicContact CZ-OE2 2.8Å; R58-E110 IonicContact NE-OE1 2.73Å; R58-E110 PolarHBondContact NE-OE1 3.33Å; R58-E110 VanDerWaalsContact NE-OE1 3.07Å; R58-E110 IonicContact NE-OE2 2.8Å; R58-E110 PolarHBondContact NE-OE2 2.93Å; R58-E110 IonicContact NH2-OE1 2.69Å; R58-E110 PolarHBondContact NH2-OE1 2.85Å; R58-E110 IonicContact NH2-OE2 3.13Å; R58-E110 PolarHBondContact NH2-OE2 3.34Å; G106-E110 WeakPolarHBondContact O-CB 3.35Å; G106-E110 PolarHBondContact O-N 3.22Å; I108-E110 VanDerWaalsContact C-N 3.3Å; I108-E110 PolarHBondContact O-N 2.8Å; E110-I112 PolarHBondContact O-N 2.8Å; E110-L113 PolarHBondContact O-N 3.49Å; E110-I114 HydrophobicContact CG-CD1 4.15Å; E110-I114 WeakPolarHBondContact O-CG1 3.34Å; E110-I114 PolarHBondContact O-N 2.69Å
111G96.5Very high96.3Very high0 Ų046.9 Ų46.90%024%0.236CC..Hα-helixtrans-63.4-40.7-176.900000112.9L107 I108 L113 I114 Y115 L121L107-G111 PolarHBondContact O-N 3.17Å; I108-G111 PolarHBondContact O-N 3.22Å; G111-L113 VanDerWaalsContact C-N 3.28Å; G111-L113 PolarHBondContact O-N 3.08Å; G111-I114 PolarHBondContact O-N 3.25Å; G111-I114 VanDerWaalsContact O-N 3.11Å; G111-Y115 WeakPolarHBondContact O-CD2 3.16Å; G111-Y115 PolarHBondContact O-N 3.35Å; G111-L121 VanDerWaalsContact C-CD1 3.49Å
112I95.3Very high96.3Very high44 Ų4446.7 Ų46.723%0.22624%0.24CC..Hα-helixtrans-65.5-32.1180-73.6173.2000111.6I108 E110 I114 L121I108-I112 HydrophobicContact CG2-CD1 3.52Å; I108-I112 HydrophobicContact CG2-CG1 4.16Å; I108-I112 WeakPolarHBondContact O-CB 3.23Å; I108-I112 VanDerWaalsContact O-CG1 3.31Å; I108-I112 WeakPolarHBondContact O-CG1 3.31Å; I108-I112 PolarHBondContact O-N 2.71Å; E110-I112 PolarHBondContact O-N 2.8Å; I112-I114 VanDerWaalsContact C-N 3.25Å; I112-I114 PolarHBondContact O-N 3.05Å; I112-L121 HydrophobicContact CD1-CD2 4.45Å; I112-L121 HydrophobicContact CG1-CD1 4.36Å; I112-L121 HydrophobicContact CG1-CD2 3.64Å
113L93Very high96.5Very high154 Ų15452.4 Ų52.481%0.80627%0.266SS*.Hα-helixtrans-68.7-26.9175.8-66.6173.7000112.4D109 E110 G111D109-L113 WeakPolarHBondContact O-CG 3.3Å; E110-L113 PolarHBondContact O-N 3.49Å; G111-L113 VanDerWaalsContact C-N 3.28Å; G111-L113 PolarHBondContact O-N 3.08Å
114I94Very high96.6Very high98 Ų9852.9 Ų52.950%0.50327%0.267SS..Hα-helixtrans-97.4-42.6-175-60.6168.9000111.4E110 G111 I112E110-I114 HydrophobicContact CG-CD1 4.15Å; E110-I114 WeakPolarHBondContact O-CG1 3.34Å; E110-I114 PolarHBondContact O-N 2.69Å; G111-I114 PolarHBondContact O-N 3.25Å; G111-I114 VanDerWaalsContact O-N 3.11Å; I112-I114 VanDerWaalsContact C-N 3.25Å; I112-I114 PolarHBondContact O-N 3.05Å
115Y96.1Very high96.6Very high79 Ų7953 Ų5331%0.3127%0.268SS..  trans-113.5105.2-170.9-55.9-73.3000110.8G111 D117 K120 F124G111-Y115 WeakPolarHBondContact O-CD2 3.16Å; G111-Y115 PolarHBondContact O-N 3.35Å; Y115-D117 VanDerWaalsContact C-N 3.27Å; Y115-K120 HydrophobicContact CD1-CB 3.78Å; Y115-K120 HydrophobicContact CD1-CD 4.43Å; Y115-K120 HydrophobicContact CE1-CB 4.47Å; Y115-K120 HydrophobicContact CG-CB 4.23Å; Y115-F124 HydrophobicContact CD2-CB 3.95Å; Y115-F124 HydrophobicContact CD2-CD1 4.28Å; Y115-F124 HydrophobicContact CD2-CG 4.01Å; Y115-F124 HydrophobicContact CE2-CB 3.52Å; Y115-F124 HydrophobicContact CE2-CD1 4.02Å; Y115-F124 AromaticContact CE2-CD2 3.54Å; Y115-F124 HydrophobicContact CE2-CD2 3.54Å; Y115-F124 HydrophobicContact CE2-CE2 4.22Å; Y115-F124 AromaticContact CE2-CG 3.41Å; Y115-F124 HydrophobicContact CE2-CG 3.41Å; Y115-F124 VanDerWaalsContact CE2-CG 3.41Å
116Q91.7Very high96.6Very high192 Ų19256.6 Ų56.690%0.89728%0.283SS*.SBendtrans-73.9-20.9171.6-64.5-177.7-0.300113
117D96Very high96.7Very high78 Ų7859.5 Ų59.542%0.41730%0.299SS..SBendtrans-92.5116.5177.4174.87.3000109.8Y115 S119 K120 L121Y115-D117 VanDerWaalsContact C-N 3.27Å; D117-S119 PolarHBondContact O-N 3.39Å; D117-S119 VanDerWaalsContact OD1-CB 3.3Å; D117-S119 WeakPolarHBondContact OD1-CB 3.41Å; D117-S119 PolarHBondContact OD1-N 2.97Å; D117-K120 HydrophobicContact CB-CB 4.42Å; D117-K120 HydrophobicContact CB-CD 4.29Å; D117-K120 HydrophobicContact CB-CG 4.31Å; D117-K120 PolarHBondContact O-N 3.3Å; D117-K120 VanDerWaalsContact O-N 3.08Å; D117-L121 PolarHBondContact O-N 2.87Å
118D97.2Very high96.7Very high32 Ų3260.4 Ų60.417%0.17130%0.303CS..Hα-helixtrans-64.4-23.6-177.6-65.2-54.7000113L121 A122 I141 Y143 R165D118-L121 PolarHBondContact O-N 3.5Å; D118-A122 WeakPolarHBondContact O-CB 3.36Å; D118-A122 PolarHBondContact O-N 2.73Å; D118-I141 HydrophobicContact CB-CD1 4.24Å; D118-I141 HydrophobicContact CB-CG2 4.42Å; D118-Y143 PolarHBondContact OD1-OH 2.93Å; D118-Y143 WeakPolarHBondContact OD2-CE2 3.4Å; D118-Y143 VanDerWaalsContact OD2-CZ 3.23Å; D118-Y143 PolarHBondContact OD2-OH 3.41Å; D118-R165 IonicContact OD1-CZ 3.29Å; D118-R165 IonicContact OD1-NE 3.4Å; D118-R165 PolarHBondContact OD1-NE 2.83Å; D118-R165 IonicContact OD1-NH2 3.49Å; D118-R165 PolarHBondContact OD1-NH2 3.41Å; D118-R165 IonicContact OD2-NE 3.22Å
119S97.5Very high96.8Very high85 Ų8560.4 Ų60.459%0.59430%0.303SS*.Hα-helixtrans-64-45.6173.4-173.30000110.7D117 A122 E123D117-S119 PolarHBondContact O-N 3.39Å; D117-S119 VanDerWaalsContact OD1-CB 3.3Å; D117-S119 WeakPolarHBondContact OD1-CB 3.41Å; D117-S119 PolarHBondContact OD1-N 2.97Å; S119-A122 PolarHBondContact O-N 3.25Å; S119-E123 PolarHBondContact O-N 2.69Å; S119-E123 VanDerWaalsContact O-N 3.09Å
120K98.5Very high96.9Very high114 Ų11459.9 Ų59.950%0.49630%0.301SS..Hα-helixtrans-69.8-34.9175.5-66-178.9-176.8178.20111.9Y115 D117 E123 F124Y115-K120 HydrophobicContact CD1-CB 3.78Å; Y115-K120 HydrophobicContact CD1-CD 4.43Å; Y115-K120 HydrophobicContact CE1-CB 4.47Å; Y115-K120 HydrophobicContact CG-CB 4.23Å; D117-K120 HydrophobicContact CB-CB 4.42Å; D117-K120 HydrophobicContact CB-CD 4.29Å; D117-K120 HydrophobicContact CB-CG 4.31Å; D117-K120 PolarHBondContact O-N 3.3Å; D117-K120 VanDerWaalsContact O-N 3.08Å; K120-E123 PolarHBondContact O-N 3.44Å; K120-F124 VanDerWaalsContact O-CB 3.31Å; K120-F124 WeakPolarHBondContact O-CB 3.47Å; K120-F124 PolarHBondContact O-N 3.08Å
121L98.5Very high96.9Very high0 Ų065.8 Ų65.80%033%0.326CS..Hα-helixtrans-60.5-47.4172.9-179.958.7000111G111 I112 D117 D118 E123 F124 L125 I141G111-L121 VanDerWaalsContact C-CD1 3.49Å; I112-L121 HydrophobicContact CD1-CD2 4.45Å; I112-L121 HydrophobicContact CG1-CD1 4.36Å; I112-L121 HydrophobicContact CG1-CD2 3.64Å; D117-L121 PolarHBondContact O-N 2.87Å; D118-L121 PolarHBondContact O-N 3.5Å; L121-E123 PolarHBondContact O-N 3.32Å; L121-F124 HydrophobicContact CD1-CD1 4.42Å; L121-F124 PolarHBondContact O-N 2.9Å; L121-L125 HydrophobicContact CD1-CD1 4.08Å; L121-L125 HydrophobicContact CD1-CG 4.1Å; L121-L125 HydrophobicContact CG-CD1 3.96Å; L121-L125 HydrophobicContact CG-CG 4.41Å; L121-L125 WeakPolarHBondContact O-CB 3.23Å; L121-L125 WeakPolarHBondContact O-CG 3Å; L121-L125 PolarHBondContact O-N 2.98Å; L121-I141 HydrophobicContact CB-CD1 4.18Å; L121-I141 HydrophobicContact CD2-CD1 3.86Å; L121-I141 HydrophobicContact CG-CD1 3.92Å
122A98.6Very high96.7Very high21 Ų2169.9 Ų69.917%0.17434%0.342CS..Hα-helixtrans-62.1-42.2178.300000112D118 S119 L125 K126 V139 I141D118-A122 WeakPolarHBondContact O-CB 3.36Å; D118-A122 PolarHBondContact O-N 2.73Å; S119-A122 PolarHBondContact O-N 3.25Å; A122-L125 PolarHBondContact O-N 2.88Å; A122-K126 VanDerWaalsContact O-CB 3.31Å; A122-K126 WeakPolarHBondContact O-CB 3.4Å; A122-K126 PolarHBondContact O-N 3.27Å; A122-V139 HydrophobicContact CB-CG1 4.22Å; A122-I141 HydrophobicContact CB-CD1 4.01Å; A122-I141 HydrophobicContact CB-CG1 4.35Å
123E98.7Very high96.7Very high120 Ų12070.1 Ų70.156%0.56134%0.341SS*.Hα-helixtrans-61.6-48.2174.7-176-178172.300111.8S119 K120 L121 K126 N127S119-E123 PolarHBondContact O-N 2.69Å; S119-E123 VanDerWaalsContact O-N 3.09Å; K120-E123 PolarHBondContact O-N 3.44Å; L121-E123 PolarHBondContact O-N 3.32Å; E123-K126 PolarHBondContact O-N 2.81Å; E123-N127 WeakPolarHBondContact O-CB 3.36Å; E123-N127 VanDerWaalsContact O-CG 3.24Å; E123-N127 PolarHBondContact O-N 3.38Å; E123-N127 PolarHBondContact O-ND2 3.42Å
124F98.5Very high96.9Very high21 Ų2164.4 Ų64.49%0.09232%0.32CS..Hα-helixtrans-56.3-52.8175.8164.9-101000111.3L107 Y115 K120 L121 K126 N127 E128L107-F124 WeakPolarHBondContact O-CE1 3.35Å; Y115-F124 HydrophobicContact CD2-CB 3.95Å; Y115-F124 HydrophobicContact CD2-CD1 4.28Å; Y115-F124 HydrophobicContact CD2-CG 4.01Å; Y115-F124 HydrophobicContact CE2-CB 3.52Å; Y115-F124 HydrophobicContact CE2-CD1 4.02Å; Y115-F124 AromaticContact CE2-CD2 3.54Å; Y115-F124 HydrophobicContact CE2-CD2 3.54Å; Y115-F124 HydrophobicContact CE2-CE2 4.22Å; Y115-F124 AromaticContact CE2-CG 3.41Å; Y115-F124 HydrophobicContact CE2-CG 3.41Å; Y115-F124 VanDerWaalsContact CE2-CG 3.41Å; K120-F124 VanDerWaalsContact O-CB 3.31Å; K120-F124 WeakPolarHBondContact O-CB 3.47Å; K120-F124 PolarHBondContact O-N 3.08Å; L121-F124 HydrophobicContact CD1-CD1 4.42Å; L121-F124 PolarHBondContact O-N 2.9Å; F124-K126 VanDerWaalsContact C-N 3.35Å; F124-K126 PolarHBondContact O-N 3.4Å; F124-N127 PolarHBondContact O-N 3.11Å; F124-E128 HydrophobicContact CD2-CG 3.94Å; F124-E128 HydrophobicContact CE1-CG 4.31Å; F124-E128 HydrophobicContact CE2-CG 3.58Å; F124-E128 HydrophobicContact CG-CG 4.48Å; F124-E128 HydrophobicContact CZ-CG 3.79Å; F124-E128 WeakPolarHBondContact O-CG 3.47Å; F124-E128 PolarHBondContact O-N 2.8Å
125L98.7Very high96.9Very high3 Ų367.5 Ų67.52%0.01633%0.33CS..Hα-helixtrans-58.9-46.4-179.4-69.9172.5000111.3L107 I108 L121 A122 N127 E128 L129 V139 F167L107-L125 HydrophobicContact CB-CD2 3.74Å; I108-L125 HydrophobicContact CB-CD2 4.5Å; I108-L125 HydrophobicContact CG1-CD1 3.75Å; I108-L125 HydrophobicContact CG1-CD2 3.67Å; I108-L125 HydrophobicContact CG1-CG 4.37Å; L121-L125 HydrophobicContact CD1-CD1 4.08Å; L121-L125 HydrophobicContact CD1-CG 4.1Å; L121-L125 HydrophobicContact CG-CD1 3.96Å; L121-L125 HydrophobicContact CG-CG 4.41Å; L121-L125 WeakPolarHBondContact O-CB 3.23Å; L121-L125 WeakPolarHBondContact O-CG 3Å; L121-L125 PolarHBondContact O-N 2.98Å; A122-L125 PolarHBondContact O-N 2.88Å; L125-N127 PolarHBondContact O-N 2.79Å; L125-E128 PolarHBondContact O-N 2.98Å; L125-L129 WeakPolarHBondContact O-CB 3.38Å; L125-L129 WeakPolarHBondContact O-CG 3.37Å; L125-L129 PolarHBondContact O-N 2.73Å; L125-V139 HydrophobicContact CB-CG1 4.03Å; L125-V139 HydrophobicContact CB-CG2 4.07Å; L125-V139 HydrophobicContact CD1-CG1 3.95Å; L125-F167 HydrophobicContact CD1-CE1 4.25Å
126K98.6Very high96.9Very high76 Ų7666.8 Ų66.833%0.3333%0.331SS..Hα-helixtrans-59.8-45.8177.9179.6-123.7179.3-91.70111.5A122 E123 F124 E128 L129 D130 V139A122-K126 VanDerWaalsContact O-CB 3.31Å; A122-K126 WeakPolarHBondContact O-CB 3.4Å; A122-K126 PolarHBondContact O-N 3.27Å; E123-K126 PolarHBondContact O-N 2.81Å; F124-K126 VanDerWaalsContact C-N 3.35Å; F124-K126 PolarHBondContact O-N 3.4Å; K126-E128 VanDerWaalsContact C-N 3.35Å; K126-E128 PolarHBondContact O-N 2.99Å; K126-L129 PolarHBondContact O-N 3.27Å; K126-D130 IonicContact NZ-OD2 3.65Å; K126-D130 PolarHBondContact NZ-OD2 2.96Å; K126-D130 WeakPolarHBondContact O-CB 3.42Å; K126-D130 PolarHBondContact O-N 3.12Å; K126-V139 HydrophobicContact CB-CG2 4.04Å
127N98.5Very high97.2Very high62 Ų6258 Ų5833%0.33229%0.289SS..Hα-helixtrans-65.3-38.6179.5-71.8-23.1000112.2E123 F124 L125 K131E123-N127 WeakPolarHBondContact O-CB 3.36Å; E123-N127 VanDerWaalsContact O-CG 3.24Å; E123-N127 PolarHBondContact O-N 3.38Å; E123-N127 PolarHBondContact O-ND2 3.42Å; F124-N127 PolarHBondContact O-N 3.11Å; L125-N127 PolarHBondContact O-N 2.79Å; N127-K131 VanDerWaalsContact O-CG 3.27Å; N127-K131 WeakPolarHBondContact O-CG 3.2Å; N127-K131 PolarHBondContact O-N 2.57Å
128E97.8Very high97.4Very high18 Ų1856.8 Ų56.88%0.08428%0.283CS..Hα-helixtrans-68.9-44.5176.2-69.8-59.4113.300111.7R58 L107 F124 L125 K126 D130 K131 Y132R58-E128 IonicContact CZ-OE2 3.48Å; R58-E128 IonicContact NH1-OE2 3.73Å; R58-E128 PolarHBondContact NH1-OE2 3.43Å; R58-E128 IonicContact NH2-OE2 3.22Å; R58-E128 PolarHBondContact NH2-OE2 2.84Å; L107-E128 HydrophobicContact CD1-CB 3.92Å; L107-E128 HydrophobicContact CD2-CB 3.83Å; L107-E128 HydrophobicContact CD2-CG 4.1Å; L107-E128 HydrophobicContact CG-CB 4.49Å; F124-E128 HydrophobicContact CD2-CG 3.94Å; F124-E128 HydrophobicContact CE1-CG 4.31Å; F124-E128 HydrophobicContact CE2-CG 3.58Å; F124-E128 HydrophobicContact CG-CG 4.48Å; F124-E128 HydrophobicContact CZ-CG 3.79Å; F124-E128 WeakPolarHBondContact O-CG 3.47Å; F124-E128 PolarHBondContact O-N 2.8Å; L125-E128 PolarHBondContact O-N 2.98Å; K126-E128 VanDerWaalsContact C-N 3.35Å; K126-E128 PolarHBondContact O-N 2.99Å; E128-D130 VanDerWaalsContact C-N 3.33Å; E128-D130 PolarHBondContact O-N 3.11Å; E128-K131 WeakPolarHBondContact O-CB 3.36Å; E128-K131 PolarHBondContact O-N 2.91Å; E128-K131 VanDerWaalsContact O-N 3.08Å; E128-K131 IonicContact OE1-NZ 2.65Å; E128-K131 PolarHBondContact OE1-NZ 2.87Å; E128-Y132 VanDerWaalsContact O-CD2 3.23Å; E128-Y132 WeakPolarHBondContact O-CD2 3.29Å; E128-Y132 PolarHBondContact O-N 3.17Å
129L98.6Very high97.4Very high1 Ų156.3 Ų56.31%0.00528%0.281CS..Hα-helixtrans-63-39.8177.7-66.5168.5000112.4I104 L107 L125 K126 K131 Y132 F133 W137 V139 V169I104-L129 HydrophobicContact CD1-CD2 4.28Å; I104-L129 HydrophobicContact CG1-CD2 3.6Å; L107-L129 HydrophobicContact CD1-CD2 3.86Å; L107-L129 HydrophobicContact CD1-CG 4.29Å; L125-L129 WeakPolarHBondContact O-CB 3.38Å; L125-L129 WeakPolarHBondContact O-CG 3.37Å; L125-L129 PolarHBondContact O-N 2.73Å; K126-L129 PolarHBondContact O-N 3.27Å; L129-K131 PolarHBondContact O-N 3.43Å; L129-Y132 PolarHBondContact O-N 2.77Å; L129-F133 HydrophobicContact CD2-CD2 3.82Å; L129-F133 HydrophobicContact CD2-CE2 3.94Å; L129-F133 PolarHBondContact O-N 2.96Å; L129-W137 HydrophobicContact CB-CB 4Å; L129-W137 HydrophobicContact CB-CD2 3.73Å; L129-W137 HydrophobicContact CB-CE3 4.31Å; L129-W137 HydrophobicContact CB-CG 3.56Å; L129-W137 HydrophobicContact CD1-CD2 4.18Å; L129-W137 HydrophobicContact CD1-CE3 3.91Å; L129-W137 HydrophobicContact CD1-CG 4.45Å; L129-W137 HydrophobicContact CD1-CZ3 4.47Å; L129-W137 HydrophobicContact CG-CD2 4.42Å; L129-W137 PolarHBondContact O-NE1 3Å; L129-V139 HydrophobicContact CD1-CG2 3.81Å; L129-V169 HydrophobicContact CD1-CG1 3.49Å; L129-V169 VanDerWaalsContact CD1-CG1 3.49Å
130D98Very high97.5Very high31 Ų3155.5 Ų55.517%0.16627%0.269CS..Hα-helixtrans-60.8-34.3174.2-84.5-0.9000112.6K126 E128 G134 K135 L136 W137K126-D130 IonicContact NZ-OD2 3.65Å; K126-D130 PolarHBondContact NZ-OD2 2.96Å; K126-D130 WeakPolarHBondContact O-CB 3.42Å; K126-D130 PolarHBondContact O-N 3.12Å; E128-D130 VanDerWaalsContact C-N 3.33Å; E128-D130 PolarHBondContact O-N 3.11Å; D130-G134 WeakPolarHBondContact CA-O 3.31Å; D130-G134 CarbonylContact O-C 3.54Å; D130-G134 VanDerWaalsContact O-C 3.26Å; D130-G134 VanDerWaalsContact O-CA 3.31Å; D130-G134 WeakPolarHBondContact O-CA 2.99Å; D130-G134 PolarHBondContact O-N 3.21Å; D130-K135 WeakPolarHBondContact OD1-CA 3.38Å; D130-L136 PolarHBondContact OD1-N 3.05Å; D130-L136 VanDerWaalsContact OD1-N 3.11Å; D130-W137 VanDerWaalsContact OD1-CD1 3.32Å; D130-W137 PolarHBondContact OD1-N 3.01Å; D130-W137 VanDerWaalsContact OD1-N 3.12Å
131K95.1Very high97.5Very high152 Ų15251.6 Ų51.666%0.66125%0.254SS*.Hα-helixtrans-73.4-46.5175.7-69.4168.7-168.9171.50111.9N127 E128 L129N127-K131 VanDerWaalsContact O-CG 3.27Å; N127-K131 WeakPolarHBondContact O-CG 3.2Å; N127-K131 PolarHBondContact O-N 2.57Å; E128-K131 WeakPolarHBondContact O-CB 3.36Å; E128-K131 PolarHBondContact O-N 2.91Å; E128-K131 VanDerWaalsContact O-N 3.08Å; E128-K131 IonicContact OE1-NZ 2.65Å; E128-K131 PolarHBondContact OE1-NZ 2.87Å; L129-K131 PolarHBondContact O-N 3.43Å
132Y92.9Very high97.5Very high86 Ų8653.1 Ų53.134%0.33726%0.261SS..Hα-helixtrans-76.6-38.7-174.4-82-75000113.5R58 L107 E128 L129R58-Y132 PolarHBondContact NH1-OH 3.45Å; L107-Y132 HydrophobicContact CD1-CD2 4.49Å; L107-Y132 HydrophobicContact CD2-CE2 4.27Å; E128-Y132 VanDerWaalsContact O-CD2 3.23Å; E128-Y132 WeakPolarHBondContact O-CD2 3.29Å; E128-Y132 PolarHBondContact O-N 3.17Å; L129-Y132 PolarHBondContact O-N 2.77Å
133F95.2Very high97.4Very high50 Ų5058.5 Ų58.522%0.21928%0.278CS..Hα-helixtrans-124.915.8-167.6-56.4-52000113.4M100 T103 L129 W137M100-F133 HydrophobicContact CB-CZ 4.46Å; M100-F133 HydrophobicContact CE-CD1 3.82Å; M100-F133 HydrophobicContact CE-CE1 4Å; M100-F133 HydrophobicContact CE-CG 4.12Å; M100-F133 HydrophobicContact CE-CZ 4.43Å; M100-F133 HydrophobicContact CG-CD2 4.25Å; M100-F133 HydrophobicContact CG-CE1 4.21Å; M100-F133 HydrophobicContact CG-CE2 3.74Å; M100-F133 HydrophobicContact CG-CZ 3.71Å; T103-F133 HydrophobicContact CG2-CE2 3.67Å; T103-F133 HydrophobicContact CG2-CZ 3.43Å; T103-F133 VanDerWaalsContact CG2-CZ 3.43Å; L129-F133 HydrophobicContact CD2-CD2 3.82Å; L129-F133 HydrophobicContact CD2-CE2 3.94Å; L129-F133 PolarHBondContact O-N 2.96Å; F133-W137 HydrophobicContact CB-CZ2 3.51Å; F133-W137 HydrophobicContact CD2-CH2 4.35Å; F133-W137 AromaticContact CD2-CZ2 3.79Å; F133-W137 HydrophobicContact CD2-CZ2 3.79Å; F133-W137 HydrophobicContact CG-CZ2 4Å
134G95.4Very high97.2Very high34 Ų3455.4 Ų55.435%0.35128%0.278SS..  trans77.7166.2-175.800000112.3D130 W137D130-G134 WeakPolarHBondContact CA-O 3.31Å; D130-G134 CarbonylContact O-C 3.54Å; D130-G134 VanDerWaalsContact O-C 3.26Å; D130-G134 VanDerWaalsContact O-CA 3.31Å; D130-G134 WeakPolarHBondContact O-CA 2.99Å; D130-G134 PolarHBondContact O-N 3.21Å; G134-W137 PolarHBondContact O-NE1 3.28Å
135K95.7Very high97Very high163 Ų16364.7 Ų64.771%0.70931%0.313SS*.SBendtrans-66.5174.4-169.9-63.5179.6-179.7175.60113.6D130 K171D130-K135 WeakPolarHBondContact OD1-CA 3.38Å; K135-K171 WeakPolarHBondContact O-CE 3.3Å
136L96.1Very high96.8Very high63 Ų6367.6 Ų67.633%0.3332%0.324SS..  trans82.428.4170.9-50.3175.6000114.6D130 K171 I172 D174D130-L136 PolarHBondContact OD1-N 3.05Å; D130-L136 VanDerWaalsContact OD1-N 3.11Å; L136-K171 HydrophobicContact CB-CG 4.44Å; L136-K171 WeakPolarHBondContact O-CA 3.33Å; L136-I172 HydrophobicContact CB-CD1 4.43Å; L136-I172 HydrophobicContact CB-CG1 3.72Å; L136-I172 HydrophobicContact CD1-CG1 4.47Å; L136-I172 PolarHBondContact O-N 3.09Å; L136-I172 VanDerWaalsContact O-N 3.08Å; L136-D174 HydrophobicContact CD1-CB 3.92Å
137W98.3Very high96.6Very high7 Ų774.7 Ų74.73%0.02735%0.348CS..EExtended strand (participates in β ladder)trans-79.1141.6171.6-71.786.1000112.8M96 M100 I104 L129 D130 F133 G134 Y156 V169 K171M96-W137 HydrophobicContact CE-CH2 3.76Å; M96-W137 HydrophobicContact CE-CZ3 3.88Å; M100-W137 HydrophobicContact SD-CH2 3.98Å; M100-W137 HydrophobicContact SD-CZ2 4.38Å; I104-W137 HydrophobicContact CD1-CH2 4.47Å; I104-W137 HydrophobicContact CD1-CZ3 4.35Å; L129-W137 HydrophobicContact CB-CB 4Å; L129-W137 HydrophobicContact CB-CD2 3.73Å; L129-W137 HydrophobicContact CB-CE3 4.31Å; L129-W137 HydrophobicContact CB-CG 3.56Å; L129-W137 HydrophobicContact CD1-CD2 4.18Å; L129-W137 HydrophobicContact CD1-CE3 3.91Å; L129-W137 HydrophobicContact CD1-CG 4.45Å; L129-W137 HydrophobicContact CD1-CZ3 4.47Å; L129-W137 HydrophobicContact CG-CD2 4.42Å; L129-W137 PolarHBondContact O-NE1 3Å; D130-W137 VanDerWaalsContact OD1-CD1 3.32Å; D130-W137 PolarHBondContact OD1-N 3.01Å; D130-W137 VanDerWaalsContact OD1-N 3.12Å; F133-W137 HydrophobicContact CB-CZ2 3.51Å; F133-W137 HydrophobicContact CD2-CH2 4.35Å; F133-W137 AromaticContact CD2-CZ2 3.79Å; F133-W137 HydrophobicContact CD2-CZ2 3.79Å; F133-W137 HydrophobicContact CG-CZ2 4Å; G134-W137 PolarHBondContact O-NE1 3.28Å; W137-Y156 AromaticContact CH2-CD1 3.73Å; W137-Y156 HydrophobicContact CH2-CD1 3.73Å; W137-Y156 AromaticContact CZ2-CD1 3.57Å; W137-Y156 HydrophobicContact CZ2-CD1 3.57Å; W137-Y156 HydrophobicContact CZ2-CE1 4.16Å; W137-V169 HydrophobicContact CE3-CG1 3.86Å; W137-V169 HydrophobicContact CZ3-CG1 3.85Å; W137-K171 HydrophobicContact CD2-CB 4.05Å; W137-K171 HydrophobicContact CD2-CG 4.43Å; W137-K171 HydrophobicContact CE3-CB 4.22Å; W137-K171 HydrophobicContact CZ2-CB 4.33Å; W137-K171 HydrophobicContact CZ2-CD 4.41Å; W137-K171 HydrophobicContact CZ3-CB 4.44Å
138N98.5Very high96.3Very high53 Ų5374.1 Ų74.128%0.28335%0.349SS..EExtended strand (participates in β ladder)trans-114.7131.2169.5-69.2-92.6000108.3V169 Y170 I172N138-V169 WeakPolarHBondContact O-CA 3.5Å; N138-Y170 HydrophobicContact CB-CD1 4.1Å; N138-Y170 HydrophobicContact CB-CD2 4.32Å; N138-Y170 HydrophobicContact CB-CE1 3.64Å; N138-Y170 HydrophobicContact CB-CE2 3.9Å; N138-Y170 HydrophobicContact CB-CG 4.41Å; N138-Y170 PolarHBondContact N-O 3.49Å; N138-Y170 PolarHBondContact O-N 3.41Å; N138-I172 WeakPolarHBondContact ND2-CG2 3.13Å
139V98.7Very high96Very high22 Ų2285.2 Ų85.213%0.13339%0.39CS..EExtended strand (participates in β ladder)trans-126.7119177.3179.20000107.8A122 L125 K126 L129 I141 V169A122-V139 HydrophobicContact CB-CG1 4.22Å; L125-V139 HydrophobicContact CB-CG1 4.03Å; L125-V139 HydrophobicContact CB-CG2 4.07Å; L125-V139 HydrophobicContact CD1-CG1 3.95Å; K126-V139 HydrophobicContact CB-CG2 4.04Å; L129-V139 HydrophobicContact CD1-CG2 3.81Å; V139-I141 HydrophobicContact CG1-CG1 4.45Å; V139-V169 HydrophobicContact CG1-CG2 4.43Å; V139-V169 HydrophobicContact CG2-CG1 4.37Å
140I98.4Very high95.7Very high69 Ų6987.7 Ų87.735%0.35440%0.4SS..EExtended strand (participates in β ladder)trans-124.5127.5179-52.1175.7000107.9I142 L168 Y170I140-I142 HydrophobicContact CG2-CD1 4.02Å; I140-I142 HydrophobicContact CG2-CG1 3.88Å; I140-L168 HydrophobicContact CB-CB 4.25Å; I140-L168 HydrophobicContact CD1-CD2 4.2Å; I140-L168 PolarHBondContact N-O 3.1Å; I140-L168 PolarHBondContact O-N 3.49Å; I140-Y170 HydrophobicContact CD1-CE1 4.18Å
141I98.5Very high95.4Very high32 Ų3291.2 Ų91.216%0.16443%0.426CS..EExtended strand (participates in β ladder)trans-112.7127178.1-53.6-179.9000107.8D118 L121 A122 V139 R165 F167D118-I141 HydrophobicContact CB-CD1 4.24Å; D118-I141 HydrophobicContact CB-CG2 4.42Å; L121-I141 HydrophobicContact CB-CD1 4.18Å; L121-I141 HydrophobicContact CD2-CD1 3.86Å; L121-I141 HydrophobicContact CG-CD1 3.92Å; A122-I141 HydrophobicContact CB-CD1 4.01Å; A122-I141 HydrophobicContact CB-CG1 4.35Å; V139-I141 HydrophobicContact CG1-CG1 4.45Å; I141-R165 HydrophobicContact CG2-CB 4.14Å; I141-R165 HydrophobicContact CG2-CG 4.13Å; I141-F167 HydrophobicContact CD1-CD1 4.41Å; I141-F167 HydrophobicContact CD1-CE1 3.83Å; I141-F167 HydrophobicContact CG1-CD1 3.93Å; I141-F167 HydrophobicContact CG1-CE1 3.82Å; I141-F167 HydrophobicContact CG2-CE1 4.33Å
142I98.2Very high95.5Very high31 Ų3186.4 Ų86.416%0.15941%0.406CS..EExtended strand (participates in β ladder)trans-129.7135.1-171.9-60.2156.9000109.8I140 Y146 I166I140-I142 HydrophobicContact CG2-CD1 4.02Å; I140-I142 HydrophobicContact CG2-CG1 3.88Å; I142-Y146 HydrophobicContact CD1-CD1 4.15Å; I142-Y146 HydrophobicContact CD1-CD2 4Å; I142-Y146 HydrophobicContact CD1-CG 3.76Å; I142-I166 HydrophobicContact CB-CB 4.11Å; I142-I166 HydrophobicContact CD1-CG2 4.44Å; I142-I166 HydrophobicContact CG2-CD1 4.49Å; I142-I166 PolarHBondContact N-O 2.93Å; I142-I166 PolarHBondContact O-N 3.26Å
143Y97Very high95.6Very high135 Ų13584.7 Ų84.753%0.52940%0.401SS..SBendtrans-103.6119.4165.1-66.5-85.6000109.7D118 R165D118-Y143 PolarHBondContact OD1-OH 2.93Å; D118-Y143 WeakPolarHBondContact OD2-CE2 3.4Å; D118-Y143 VanDerWaalsContact OD2-CZ 3.23Å; D118-Y143 PolarHBondContact OD2-OH 3.41Å; Y143-R165 HydrophobicContact CD1-CG 4.43Å; Y143-R165 HydrophobicContact CE1-CG 3.68Å; Y143-R165 PolarHBondContact OH-NE 2.9Å; Y143-R165 PolarHBondContact OH-NH2 2.99Å
144G94.1Very high95.7Very high54 Ų5488.3 Ų88.356%0.55743%0.427SS*.SBendtrans103-125.9176.300000113.8I166G144-I166 WeakPolarHBondContact O-CD1 3.46Å
145R94.1Very high95.8Very high217 Ų21787.7 Ų87.782%0.81942%0.421SS*.  trans-119.5150-172.7-63.5179.5-177.7168.31110.7W147R145-W147 HydrophobicContact CB-CH2 4.26Å; R145-W147 HydrophobicContact CB-CZ3 4.25Å
146Y94.5Very high95.9Very high63 Ų6382.8 Ų82.825%0.24740%0.398CS..  trans-145.6159.6177.674.2-68.4000110.5I142 C159 I166I142-Y146 HydrophobicContact CD1-CD1 4.15Å; I142-Y146 HydrophobicContact CD1-CD2 4Å; I142-Y146 HydrophobicContact CD1-CG 3.76Å; Y146-C159 PolarHBondContact OH-SG 2.89Å; Y146-I166 HydrophobicContact CD1-CD1 3.83Å; Y146-I166 HydrophobicContact CD1-CG2 4.23Å; Y146-I166 HydrophobicContact CE1-CD1 3.92Å; Y146-I166 HydrophobicContact CE1-CG2 3.72Å
147W95.6Very high96Very high225 Ų22579.9 Ų79.985%0.85238%0.383SS*.  trans-130.7136168-67.9-98.5000107R145R145-W147 HydrophobicContact CB-CH2 4.26Å; R145-W147 HydrophobicContact CB-CZ3 4.25Å
148S91.4Very high96Very high50 Ų5079.5 Ų79.535%0.3538%0.382SS..  trans-145.3152.8-178.262.90000112.3
149R91.1Very high96Very high251 Ų25177 Ų7795%0.94737%0.368SS*.  trans-132.8119.6161-71.6-65.2-162.3-133.63.6105.3
150Y92.5Very high96Very high54 Ų5476 Ų7621%0.21236%0.362CS..  trans-144.1161.1-17961.4-83.1000109.3H152 N157 L168 Y170Y150-H152 HydrophobicContact CD2-CB 4.47Å; Y150-H152 HydrophobicContact CE2-CB 4.45Å; Y150-H152 AromaticContact CE2-ND1 3.71Å; Y150-N157 WeakPolarHBondContact CE2-OD1 3.48Å; Y150-N157 PolarHBondContact OH-ND2 2.88Å; Y150-N157 PolarHBondContact OH-OD1 3.43Å; Y150-N157 VanDerWaalsContact OH-OD1 3.05Å; Y150-L168 HydrophobicContact CD1-CD2 4.31Å; Y150-L168 HydrophobicContact CE1-CD1 3.97Å; Y150-L168 HydrophobicContact CE1-CD2 4.12Å; Y150-L168 HydrophobicContact CE2-CD1 4.14Å; Y150-L168 WeakPolarHBondContact OH-CD1 3.45Å; Y150-Y170 HydrophobicContact CD2-CD1 4.32Å; Y150-Y170 HydrophobicContact CD2-CD2 4.1Å; Y150-Y170 HydrophobicContact CD2-CE1 4.41Å; Y150-Y170 HydrophobicContact CD2-CE2 4.18Å; Y150-Y170 HydrophobicContact CD2-CG 4.17Å; Y150-Y170 HydrophobicContact CE2-CD1 4.36Å; Y150-Y170 HydrophobicContact CE2-CG 4.22Å
151C93.2Very high96Very high104 Ų10475.7 Ų75.770%0.70336%0.361SS*.  trans-110.6148.5172.2-62.80000108.6
152H95.4Very high95.9Very high51 Ų5174.5 Ų74.524%0.23635%0.354CS..  trans-146158.5179.961.4-91.7000110D95 Y150 N157 Y170 K171D95-H152 IonicContact OD1-NE2 3.41Å; D95-H152 IonicContact OD2-CD2 3.97Å; D95-H152 PolarHBondContact OD2-CD2 3.29Å; D95-H152 IonicContact OD2-NE2 2.93Å; D95-H152 PolarHBondContact OD2-NE2 2.97Å; Y150-H152 HydrophobicContact CD2-CB 4.47Å; Y150-H152 HydrophobicContact CE2-CB 4.45Å; Y150-H152 AromaticContact CE2-ND1 3.71Å; H152-N157 HydrophobicContact CB-CB 4.22Å; H152-N157 WeakPolarHBondContact CD2-CB 3.45Å; H152-N157 WeakPolarHBondContact NE2-CB 3.31Å; H152-Y170 HydrophobicContact CB-CD2 3.99Å; H152-Y170 HydrophobicContact CB-CG 4.4Å; H152-K171 CarbonylContact C-O 3.46Å; H152-K171 VanDerWaalsContact CA-O 3.28Å; H152-K171 WeakPolarHBondContact CA-O 3.48Å; H152-K171 WeakPolarHBondContact CB-O 3.49Å
153E96.5Very high95.6Very high50 Ų5076.6 Ų76.623%0.23437%0.366CS..  trans-68.9131.9170.7-172.1179.3146.900109.9G155 Y156 K171 P173E153-G155 PolarHBondContact O-N 2.96Å; E153-Y156 HydrophobicContact CB-CD2 4.09Å; E153-Y156 HydrophobicContact CG-CD2 3.79Å; E153-Y156 HydrophobicContact CG-CE2 4.24Å; E153-Y156 WeakPolarHBondContact O-CB 3.36Å; E153-Y156 PolarHBondContact O-N 3.49Å; E153-Y156 VanDerWaalsContact OE1-CE2 3.23Å; E153-Y156 WeakPolarHBondContact OE1-CE2 3.28Å; E153-K171 HydrophobicContact CB-CB 4.48Å; E153-K171 PolarHBondContact N-O 2.83Å; E153-K171 IonicContact OE1-NZ 2.67Å; E153-K171 PolarHBondContact OE1-NZ 3.08Å; E153-K171 WeakPolarHBondContact OE2-CD 3.42Å; E153-K171 VanDerWaalsContact OE2-CE 3.29Å; E153-K171 WeakPolarHBondContact OE2-CE 3.08Å; E153-K171 IonicContact OE2-NZ 2.91Å; E153-K171 PolarHBondContact OE2-NZ 2.94Å; E153-P173 HydrophobicContact CB-CG 4.41Å
154T96.6Very high95.4Very high126 Ų12677.3 Ų77.377%0.77338%0.379SS*.THydrogen-bonded Turntrans-56.1129-176.7-59.70000111.7Y156T154-Y156 VanDerWaalsContact C-N 3.35Å; T154-Y156 WeakPolarHBondContact O-CD2 3.47Å
155G97.7Very high95.6Very high21 Ų2176.7 Ų76.722%0.21636%0.359CS..THydrogen-bonded Turntrans87.12-179.600000114.5D95 M96 E153D95-G155 VanDerWaalsContact CG-N 3.25Å; D95-G155 PolarHBondContact OD2-N 2.93Å; M96-G155 VanDerWaalsContact CA-O 3.3Å; M96-G155 WeakPolarHBondContact CA-O 3.48Å; E153-G155 PolarHBondContact O-N 2.96Å
156Y97.9Very high95.8Very high61 Ų6167.1 Ų67.124%0.23933%0.325CS..  trans-120.722.2-176.5-67.2-91.2000113.7D95 M100 W137 E153 T154 Y170 K171D95-Y156 PolarHBondContact OD1-N 3.4Å; M100-Y156 HydrophobicContact CE-CD1 4.06Å; M100-Y156 HydrophobicContact CE-CE1 3.61Å; M100-Y156 HydrophobicContact SD-CD1 3.87Å; M100-Y156 HydrophobicContact SD-CE1 4.06Å; W137-Y156 AromaticContact CH2-CD1 3.73Å; W137-Y156 HydrophobicContact CH2-CD1 3.73Å; W137-Y156 AromaticContact CZ2-CD1 3.57Å; W137-Y156 HydrophobicContact CZ2-CD1 3.57Å; W137-Y156 HydrophobicContact CZ2-CE1 4.16Å; E153-Y156 HydrophobicContact CB-CD2 4.09Å; E153-Y156 HydrophobicContact CG-CD2 3.79Å; E153-Y156 HydrophobicContact CG-CE2 4.24Å; E153-Y156 WeakPolarHBondContact O-CB 3.36Å; E153-Y156 PolarHBondContact O-N 3.49Å; E153-Y156 VanDerWaalsContact OE1-CE2 3.23Å; E153-Y156 WeakPolarHBondContact OE1-CE2 3.28Å; T154-Y156 VanDerWaalsContact C-N 3.35Å; T154-Y156 WeakPolarHBondContact O-CD2 3.47Å; Y156-Y170 WeakPolarHBondContact O-CA 3.48Å; Y156-K171 HydrophobicContact CD1-CB 4.26Å; Y156-K171 HydrophobicContact CD1-CD 3.93Å; Y156-K171 HydrophobicContact CE1-CD 4.22Å; Y156-K171 HydrophobicContact CG-CB 4.06Å; Y156-K171 HydrophobicContact CG-CD 4.15Å; Y156-K171 PolarHBondContact O-N 3.48Å; Y156-K171 VanDerWaalsContact O-N 3.17Å
157N98.5Very high96Very high1 Ų164.1 Ų64.11%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-108.5131.4173.9176.447.1000112.6T94 D95 M96 Y150 H152T94-N157 VanDerWaalsContact CA-O 3.23Å; T94-N157 WeakPolarHBondContact CA-O 3.19Å; T94-N157 WeakPolarHBondContact CB-O 3.31Å; T94-N157 PolarHBondContact OG1-O 3.46Å; D95-N157 PolarHBondContact N-O 3.32Å; D95-N157 WeakPolarHBondContact OD1-CA 2.94Å; D95-N157 WeakPolarHBondContact OD1-CB 3.46Å; D95-N157 PolarHBondContact OD1-N 2.88Å; M96-N157 WeakPolarHBondContact CB-O 3.41Å; Y150-N157 WeakPolarHBondContact CE2-OD1 3.48Å; Y150-N157 PolarHBondContact OH-ND2 2.88Å; Y150-N157 PolarHBondContact OH-OD1 3.43Å; Y150-N157 VanDerWaalsContact OH-OD1 3.05Å; H152-N157 HydrophobicContact CB-CB 4.22Å; H152-N157 WeakPolarHBondContact CD2-CB 3.45Å; H152-N157 WeakPolarHBondContact NE2-CB 3.31Å
158F98.5Very high96.1Very high0 Ų053.7 Ų53.70%027%0.274CS..EExtended strand (participates in β ladder)trans-143.7108.3176-171.8-153.8000111.6V89 V91 M96 K101 I104 F160 V169V89-F158 HydrophobicContact CG1-CZ 4.03Å; V91-F158 HydrophobicContact CG1-CE2 4.29Å; V91-F158 HydrophobicContact CG2-CE2 4.02Å; M96-F158 HydrophobicContact CE-CB 3.73Å; M96-F158 HydrophobicContact SD-CB 3.84Å; M96-F158 HydrophobicContact SD-CD1 4.31Å; M96-F158 HydrophobicContact SD-CG 4.33Å; K101-F158 HydrophobicContact CB-CD1 4.23Å; K101-F158 HydrophobicContact CB-CE1 3.73Å; K101-F158 HydrophobicContact CB-CZ 3.88Å; K101-F158 HydrophobicContact CD-CD2 4.33Å; K101-F158 HydrophobicContact CD-CE2 4Å; K101-F158 HydrophobicContact CD-CZ 4.16Å; K101-F158 HydrophobicContact CG-CD1 3.94Å; K101-F158 HydrophobicContact CG-CD2 4.08Å; K101-F158 HydrophobicContact CG-CE1 3.82Å; K101-F158 HydrophobicContact CG-CE2 3.96Å; K101-F158 HydrophobicContact CG-CG 4.07Å; K101-F158 HydrophobicContact CG-CZ 3.83Å; I104-F158 HydrophobicContact CB-CD1 4.29Å; I104-F158 HydrophobicContact CD1-CD1 4.05Å; I104-F158 HydrophobicContact CG2-CD1 4.09Å; I104-F158 HydrophobicContact CG2-CE1 4.37Å; F158-F160 AromaticContact CD1-CD1 3.53Å; F158-F160 HydrophobicContact CD1-CD1 3.53Å; F158-F160 AromaticContact CD1-CE1 3.28Å; F158-F160 HydrophobicContact CD1-CE1 3.28Å; F158-F160 HydrophobicContact CD1-CZ 4.15Å; F158-F160 HydrophobicContact CD2-CB 4.42Å; F158-F160 AromaticContact CD2-CD1 3.54Å; F158-F160 HydrophobicContact CD2-CD1 3.54Å; F158-F160 HydrophobicContact CD2-CE1 4.18Å; F158-F160 HydrophobicContact CD2-CG 4.31Å; F158-F160 AromaticContact CE1-CD1 3.45Å; F158-F160 HydrophobicContact CE1-CD1 3.45Å; F158-F160 VanDerWaalsContact CE1-CD1 3.45Å; F158-F160 AromaticContact CE1-CE1 3.31Å; F158-F160 HydrophobicContact CE1-CE1 3.31Å; F158-F160 HydrophobicContact CE1-CE2 4.45Å; F158-F160 HydrophobicContact CE1-CG 4.1Å; F158-F160 AromaticContact CE1-CZ 3.83Å; F158-F160 HydrophobicContact CE1-CZ 3.83Å; F158-F160 HydrophobicContact CE2-CB 3.84Å; F158-F160 AromaticContact CE2-CD1 3.47Å; F158-F160 HydrophobicContact CE2-CD1 3.47Å; F158-F160 VanDerWaalsContact CE2-CD1 3.47Å; F158-F160 HydrophobicContact CE2-CE1 4.21Å; F158-F160 AromaticContact CE2-CG 3.82Å; F158-F160 HydrophobicContact CE2-CG 3.82Å; F158-F160 AromaticContact CG-CD1 3.58Å; F158-F160 HydrophobicContact CG-CD1 3.58Å; F158-F160 AromaticContact CG-CE1 3.74Å; F158-F160 HydrophobicContact CG-CE1 3.74Å; F158-F160 HydrophobicContact CZ-CB 4.14Å; F158-F160 AromaticContact CZ-CD1 3.42Å; F158-F160 HydrophobicContact CZ-CD1 3.42Å; F158-F160 VanDerWaalsContact CZ-CD1 3.42Å; F158-F160 HydrophobicContact CZ-CD2 4.33Å; F158-F160 AromaticContact CZ-CE1 3.8Å; F158-F160 HydrophobicContact CZ-CE1 3.8Å; F158-F160 AromaticContact CZ-CG 3.71Å; F158-F160 HydrophobicContact CZ-CG 3.71Å; F158-F160 HydrophobicContact CZ-CZ 4.35Å; F158-V169 PolarHBondContact N-O 3.5Å; F158-V169 PolarHBondContact O-N 3.03Å
159C98.4Very high96.5Very high0 Ų051.4 Ų51.40%026%0.257CS..EExtended strand (participates in β ladder)trans-116.7125.9174.5-170.80000110.8I92 Q93 Y146 F167 L168I92-C159 HydrophobicContact CB-CB 4.46Å; I92-C159 PolarHBondContact N-O 2.84Å; Q93-C159 HydrophobicContact CB-CB 4.39Å; Q93-C159 PolarHBondContact N-O 2.8Å; Q93-C159 WeakPolarHBondContact O-CA 3.44Å; Q93-C159 PolarHBondContact O-N 3.05Å; Y146-C159 PolarHBondContact OH-SG 2.89Å; C159-F167 VanDerWaalsContact CA-O 3.27Å; C159-F167 WeakPolarHBondContact CA-O 3.28Å; C159-F167 PolarHBondContact SG-O 3Å; C159-L168 HydrophobicContact CB-CD1 3.76Å
160F98.3Very high96.8Very high0 Ų040.8 Ų40.80%022%0.217CC..EExtended strand (participates in β ladder)trans-159.9166.9-171.160.9-80.8000112.1V89 H90 I104 I108 F158 K162 I166 F167 V169V89-F160 HydrophobicContact CG1-CB 3.78Å; V89-F160 HydrophobicContact CG1-CD2 3.58Å; V89-F160 HydrophobicContact CG1-CE2 4.4Å; V89-F160 HydrophobicContact CG1-CG 3.87Å; H90-F160 CarbonylContact O-C 3.26Å; H90-F160 WeakPolarHBondContact O-CA 3.23Å; H90-F160 WeakPolarHBondContact O-CB 3.42Å; I104-F160 HydrophobicContact CG2-CE1 4.34Å; I104-F160 HydrophobicContact CG2-CZ 4.18Å; I108-F160 HydrophobicContact CD1-CE2 3.89Å; I108-F160 HydrophobicContact CD1-CZ 3.4Å; F158-F160 AromaticContact CD1-CD1 3.53Å; F158-F160 HydrophobicContact CD1-CD1 3.53Å; F158-F160 AromaticContact CD1-CE1 3.28Å; F158-F160 HydrophobicContact CD1-CE1 3.28Å; F158-F160 HydrophobicContact CD1-CZ 4.15Å; F158-F160 HydrophobicContact CD2-CB 4.42Å; F158-F160 AromaticContact CD2-CD1 3.54Å; F158-F160 HydrophobicContact CD2-CD1 3.54Å; F158-F160 HydrophobicContact CD2-CE1 4.18Å; F158-F160 HydrophobicContact CD2-CG 4.31Å; F158-F160 AromaticContact CE1-CD1 3.45Å; F158-F160 HydrophobicContact CE1-CD1 3.45Å; F158-F160 VanDerWaalsContact CE1-CD1 3.45Å; F158-F160 AromaticContact CE1-CE1 3.31Å; F158-F160 HydrophobicContact CE1-CE1 3.31Å; F158-F160 HydrophobicContact CE1-CE2 4.45Å; F158-F160 HydrophobicContact CE1-CG 4.1Å; F158-F160 AromaticContact CE1-CZ 3.83Å; F158-F160 HydrophobicContact CE1-CZ 3.83Å; F158-F160 HydrophobicContact CE2-CB 3.84Å; F158-F160 AromaticContact CE2-CD1 3.47Å; F158-F160 HydrophobicContact CE2-CD1 3.47Å; F158-F160 VanDerWaalsContact CE2-CD1 3.47Å; F158-F160 HydrophobicContact CE2-CE1 4.21Å; F158-F160 AromaticContact CE2-CG 3.82Å; F158-F160 HydrophobicContact CE2-CG 3.82Å; F158-F160 AromaticContact CG-CD1 3.58Å; F158-F160 HydrophobicContact CG-CD1 3.58Å; F158-F160 AromaticContact CG-CE1 3.74Å; F158-F160 HydrophobicContact CG-CE1 3.74Å; F158-F160 HydrophobicContact CZ-CB 4.14Å; F158-F160 AromaticContact CZ-CD1 3.42Å; F158-F160 HydrophobicContact CZ-CD1 3.42Å; F158-F160 VanDerWaalsContact CZ-CD1 3.42Å; F158-F160 HydrophobicContact CZ-CD2 4.33Å; F158-F160 AromaticContact CZ-CE1 3.8Å; F158-F160 HydrophobicContact CZ-CE1 3.8Å; F158-F160 AromaticContact CZ-CG 3.71Å; F158-F160 HydrophobicContact CZ-CG 3.71Å; F158-F160 HydrophobicContact CZ-CZ 4.35Å; F160-K162 HydrophobicContact CD2-CB 4.12Å; F160-K162 HydrophobicContact CE2-CB 4.05Å; F160-I166 WeakPolarHBondContact O-CA 3.27Å; F160-F167 HydrophobicContact CD1-CB 4.17Å; F160-F167 HydrophobicContact CD2-CB 4.33Å; F160-F167 HydrophobicContact CD2-CD2 4.31Å; F160-F167 HydrophobicContact CE1-CB 3.68Å; F160-F167 HydrophobicContact CE2-CB 3.89Å; F160-F167 AromaticContact CE2-CD2 3.76Å; F160-F167 HydrophobicContact CE2-CD2 3.76Å; F160-F167 HydrophobicContact CE2-CG 4.01Å; F160-F167 HydrophobicContact CG-CB 4.48Å; F160-F167 HydrophobicContact CZ-CB 3.55Å; F160-F167 HydrophobicContact CZ-CD2 4.17Å; F160-F167 AromaticContact CZ-CG 3.93Å; F160-F167 HydrophobicContact CZ-CG 3.93Å; F160-F167 PolarHBondContact N-O 3.48Å; F160-F167 PolarHBondContact O-N 3.03Å; F160-V169 HydrophobicContact CE1-CG2 4.35Å
161I98.2Very high97.1Very high64 Ų6439.4 Ų39.433%0.32821%0.213SC..EExtended strand (participates in β ladder)trans-108.2133173-49.9-176.7000108.9H90 I92 R165 I166H90-I161 HydrophobicContact CB-CB 4.21Å; H90-I161 PolarHBondContact N-O 3.44Å; H90-I161 PolarHBondContact O-N 3.49Å; I92-I161 HydrophobicContact CD1-CD1 4.24Å; I92-I161 HydrophobicContact CD1-CG1 3.74Å; I92-I161 HydrophobicContact CG1-CG1 4.12Å; I161-R165 VanDerWaalsContact CA-O 3.28Å; I161-R165 WeakPolarHBondContact CA-O 3.21Å; I161-I166 HydrophobicContact CD1-CG1 4.37Å; I161-I166 HydrophobicContact CG1-CG1 4.02Å
162K96.6Very high97.3Very high6 Ų637.6 Ų37.63%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-150.5136.6172.5-168.1-165.8-172.8-57.20109.4D88 V89 I108 D109 F160 D164 R165 F167D88-K162 WeakPolarHBondContact OD2-CE 3.43Å; D88-K162 IonicContact OD2-NZ 2.85Å; D88-K162 PolarHBondContact OD2-NZ 2.97Å; V89-K162 HydrophobicContact CG2-CD 4.44Å; V89-K162 HydrophobicContact CG2-CG 4.39Å; I108-K162 HydrophobicContact CG2-CD 3.95Å; D109-K162 WeakPolarHBondContact OD1-CE 3.31Å; D109-K162 IonicContact OD1-NZ 2.93Å; D109-K162 PolarHBondContact OD1-NZ 3.4Å; F160-K162 HydrophobicContact CD2-CB 4.12Å; F160-K162 HydrophobicContact CE2-CB 4.05Å; K162-D164 VanDerWaalsContact C-N 3.33Å; K162-D164 PolarHBondContact O-N 3.38Å; K162-R165 PolarHBondContact N-O 3.03Å; K162-R165 WeakPolarHBondContact O-CB 3.49Å; K162-R165 PolarHBondContact O-N 2.88Å; K162-F167 HydrophobicContact CB-CD2 4.27Å; K162-F167 HydrophobicContact CB-CE2 4.08Å
163D92.4Very high97.1Very high76 Ų7638 Ų3841%0.40620%0.203SC..THydrogen-bonded Turntrans46.951.1177.1-50.7-39.5000113.5R165D163-R165 PolarHBondContact O-N 3.22Å; D163-R165 VanDerWaalsContact O-N 3.1Å; D163-R165 PolarHBondContact O-NH1 3.08Å
164D93.1Very high96.7Very high150 Ų15041.3 Ų41.380%0.80222%0.222SC*.THydrogen-bonded Turntrans62.98.4-178.8-57.5-41.9000116.7K162K162-D164 VanDerWaalsContact C-N 3.33Å; K162-D164 PolarHBondContact O-N 3.38Å
165R97Very high95.8Very high40 Ų4042.9 Ų42.915%0.15123%0.225CC..EExtended strand (participates in β ladder)trans-109.4141.4177.5-62.7167.4-176.886.9-5.6110.5D118 I141 Y143 I161 K162 D163 F167D118-R165 IonicContact OD1-CZ 3.29Å; D118-R165 IonicContact OD1-NE 3.4Å; D118-R165 PolarHBondContact OD1-NE 2.83Å; D118-R165 IonicContact OD1-NH2 3.49Å; D118-R165 PolarHBondContact OD1-NH2 3.41Å; D118-R165 IonicContact OD2-NE 3.22Å; I141-R165 HydrophobicContact CG2-CB 4.14Å; I141-R165 HydrophobicContact CG2-CG 4.13Å; Y143-R165 HydrophobicContact CD1-CG 4.43Å; Y143-R165 HydrophobicContact CE1-CG 3.68Å; Y143-R165 PolarHBondContact OH-NE 2.9Å; Y143-R165 PolarHBondContact OH-NH2 2.99Å; I161-R165 VanDerWaalsContact CA-O 3.28Å; I161-R165 WeakPolarHBondContact CA-O 3.21Å; K162-R165 PolarHBondContact N-O 3.03Å; K162-R165 WeakPolarHBondContact O-CB 3.49Å; K162-R165 PolarHBondContact O-N 2.88Å; D163-R165 PolarHBondContact O-N 3.22Å; D163-R165 VanDerWaalsContact O-N 3.1Å; D163-R165 PolarHBondContact O-NH1 3.08Å; R165-F167 HydrophobicContact CB-CD2 4.11Å; R165-F167 HydrophobicContact CB-CE2 3.56Å; R165-F167 HydrophobicContact CB-CZ 3.99Å; R165-F167 HydrophobicContact CG-CE2 4.46Å
166I98.4Very high94.2Very high17 Ų1754.1 Ų54.19%0.08727%0.272CS..EExtended strand (participates in β ladder)trans-88.8124.7161.8-62.7161.5000107.4I92 I142 G144 Y146 F160 I161I92-I166 HydrophobicContact CD1-CG1 4.44Å; I92-I166 HydrophobicContact CD1-CG2 4Å; I142-I166 HydrophobicContact CB-CB 4.11Å; I142-I166 HydrophobicContact CD1-CG2 4.44Å; I142-I166 HydrophobicContact CG2-CD1 4.49Å; I142-I166 PolarHBondContact N-O 2.93Å; I142-I166 PolarHBondContact O-N 3.26Å; G144-I166 WeakPolarHBondContact O-CD1 3.46Å; Y146-I166 HydrophobicContact CD1-CD1 3.83Å; Y146-I166 HydrophobicContact CD1-CG2 4.23Å; Y146-I166 HydrophobicContact CE1-CD1 3.92Å; Y146-I166 HydrophobicContact CE1-CG2 3.72Å; F160-I166 WeakPolarHBondContact O-CA 3.27Å; I161-I166 HydrophobicContact CD1-CG1 4.37Å; I161-I166 HydrophobicContact CG1-CG1 4.02Å
167F98.6Very high94Very high0 Ų053.8 Ų53.80%027%0.273CS..EExtended strand (participates in β ladder)trans-102.6130.3170.7-68.2-90000109I108 L125 I141 C159 F160 K162 R165 V169I108-F167 HydrophobicContact CD1-CD1 3.88Å; I108-F167 HydrophobicContact CD1-CD2 4.42Å; I108-F167 HydrophobicContact CD1-CE1 4Å; I108-F167 HydrophobicContact CD1-CG 4.1Å; I108-F167 HydrophobicContact CD1-CZ 4.32Å; I108-F167 HydrophobicContact CG1-CE1 4.23Å; I108-F167 HydrophobicContact CG2-CE1 4.24Å; I108-F167 HydrophobicContact CG2-CE2 4.25Å; I108-F167 HydrophobicContact CG2-CZ 3.78Å; L125-F167 HydrophobicContact CD1-CE1 4.25Å; I141-F167 HydrophobicContact CD1-CD1 4.41Å; I141-F167 HydrophobicContact CD1-CE1 3.83Å; I141-F167 HydrophobicContact CG1-CD1 3.93Å; I141-F167 HydrophobicContact CG1-CE1 3.82Å; I141-F167 HydrophobicContact CG2-CE1 4.33Å; C159-F167 VanDerWaalsContact CA-O 3.27Å; C159-F167 WeakPolarHBondContact CA-O 3.28Å; C159-F167 PolarHBondContact SG-O 3Å; F160-F167 HydrophobicContact CD1-CB 4.17Å; F160-F167 HydrophobicContact CD2-CB 4.33Å; F160-F167 HydrophobicContact CD2-CD2 4.31Å; F160-F167 HydrophobicContact CE1-CB 3.68Å; F160-F167 HydrophobicContact CE2-CB 3.89Å; F160-F167 AromaticContact CE2-CD2 3.76Å; F160-F167 HydrophobicContact CE2-CD2 3.76Å; F160-F167 HydrophobicContact CE2-CG 4.01Å; F160-F167 HydrophobicContact CG-CB 4.48Å; F160-F167 HydrophobicContact CZ-CB 3.55Å; F160-F167 HydrophobicContact CZ-CD2 4.17Å; F160-F167 AromaticContact CZ-CG 3.93Å; F160-F167 HydrophobicContact CZ-CG 3.93Å; F160-F167 PolarHBondContact N-O 3.48Å; F160-F167 PolarHBondContact O-N 3.03Å; K162-F167 HydrophobicContact CB-CD2 4.27Å; K162-F167 HydrophobicContact CB-CE2 4.08Å; R165-F167 HydrophobicContact CB-CD2 4.11Å; R165-F167 HydrophobicContact CB-CE2 3.56Å; R165-F167 HydrophobicContact CB-CZ 3.99Å; R165-F167 HydrophobicContact CG-CE2 4.46Å; F167-V169 HydrophobicContact CB-CG2 4.29Å
168L98.5Very high93.7Very high6 Ų656.6 Ų56.63%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-118.7102.7167175.761.6000107.6I140 Y150 C159 Y170I140-L168 HydrophobicContact CB-CB 4.25Å; I140-L168 HydrophobicContact CD1-CD2 4.2Å; I140-L168 PolarHBondContact N-O 3.1Å; I140-L168 PolarHBondContact O-N 3.49Å; Y150-L168 HydrophobicContact CD1-CD2 4.31Å; Y150-L168 HydrophobicContact CE1-CD1 3.97Å; Y150-L168 HydrophobicContact CE1-CD2 4.12Å; Y150-L168 HydrophobicContact CE2-CD1 4.14Å; Y150-L168 WeakPolarHBondContact OH-CD1 3.45Å; C159-L168 HydrophobicContact CB-CD1 3.76Å; L168-Y170 HydrophobicContact CD1-CD1 4.09Å; L168-Y170 HydrophobicContact CD2-CD1 4.46Å; L168-Y170 HydrophobicContact CD2-CE1 4.14Å; L168-Y170 HydrophobicContact CG-CD1 3.83Å; L168-Y170 HydrophobicContact CG-CE1 3.94Å
169V98.8Very high93.5Very high1 Ų159.7 Ų59.71%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-117.5114.9-175.1-177.10000108.3I104 L129 W137 N138 V139 F158 F160 F167I104-V169 HydrophobicContact CD1-CG1 4.02Å; I104-V169 HydrophobicContact CG2-CG1 4.45Å; I104-V169 HydrophobicContact CG2-CG2 4.38Å; L129-V169 HydrophobicContact CD1-CG1 3.49Å; L129-V169 VanDerWaalsContact CD1-CG1 3.49Å; W137-V169 HydrophobicContact CE3-CG1 3.86Å; W137-V169 HydrophobicContact CZ3-CG1 3.85Å; N138-V169 WeakPolarHBondContact O-CA 3.5Å; V139-V169 HydrophobicContact CG1-CG2 4.43Å; V139-V169 HydrophobicContact CG2-CG1 4.37Å; F158-V169 PolarHBondContact N-O 3.5Å; F158-V169 PolarHBondContact O-N 3.03Å; F160-V169 HydrophobicContact CE1-CG2 4.35Å; F167-V169 HydrophobicContact CB-CG2 4.29Å
170Y98.4Very high93.2Very high28 Ų2863.2 Ų63.211%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-150.2150.5-179.165.5-79.5000113.1N138 I140 Y150 H152 Y156 L168 I172N138-Y170 HydrophobicContact CB-CD1 4.1Å; N138-Y170 HydrophobicContact CB-CD2 4.32Å; N138-Y170 HydrophobicContact CB-CE1 3.64Å; N138-Y170 HydrophobicContact CB-CE2 3.9Å; N138-Y170 HydrophobicContact CB-CG 4.41Å; N138-Y170 PolarHBondContact N-O 3.49Å; N138-Y170 PolarHBondContact O-N 3.41Å; I140-Y170 HydrophobicContact CD1-CE1 4.18Å; Y150-Y170 HydrophobicContact CD2-CD1 4.32Å; Y150-Y170 HydrophobicContact CD2-CD2 4.1Å; Y150-Y170 HydrophobicContact CD2-CE1 4.41Å; Y150-Y170 HydrophobicContact CD2-CE2 4.18Å; Y150-Y170 HydrophobicContact CD2-CG 4.17Å; Y150-Y170 HydrophobicContact CE2-CD1 4.36Å; Y150-Y170 HydrophobicContact CE2-CG 4.22Å; H152-Y170 HydrophobicContact CB-CD2 3.99Å; H152-Y170 HydrophobicContact CB-CG 4.4Å; Y156-Y170 WeakPolarHBondContact O-CA 3.48Å; L168-Y170 HydrophobicContact CD1-CD1 4.09Å; L168-Y170 HydrophobicContact CD2-CD1 4.46Å; L168-Y170 HydrophobicContact CD2-CE1 4.14Å; L168-Y170 HydrophobicContact CG-CD1 3.83Å; L168-Y170 HydrophobicContact CG-CE1 3.94Å; Y170-I172 HydrophobicContact CD2-CG2 4.12Å; Y170-I172 HydrophobicContact CE2-CG2 3.73Å
171K98.2Very high92.9Very high26 Ų2667.2 Ų67.211%0.11334%0.341CS..EExtended strand (participates in β ladder)trans-95.2138.4170.7-164.1-179.9172-135.50109.9K135 L136 W137 H152 E153 Y156K135-K171 WeakPolarHBondContact O-CE 3.3Å; L136-K171 HydrophobicContact CB-CG 4.44Å; L136-K171 WeakPolarHBondContact O-CA 3.33Å; W137-K171 HydrophobicContact CD2-CB 4.05Å; W137-K171 HydrophobicContact CD2-CG 4.43Å; W137-K171 HydrophobicContact CE3-CB 4.22Å; W137-K171 HydrophobicContact CZ2-CB 4.33Å; W137-K171 HydrophobicContact CZ2-CD 4.41Å; W137-K171 HydrophobicContact CZ3-CB 4.44Å; H152-K171 CarbonylContact C-O 3.46Å; H152-K171 VanDerWaalsContact CA-O 3.28Å; H152-K171 WeakPolarHBondContact CA-O 3.48Å; H152-K171 WeakPolarHBondContact CB-O 3.49Å; E153-K171 HydrophobicContact CB-CB 4.48Å; E153-K171 PolarHBondContact N-O 2.83Å; E153-K171 IonicContact OE1-NZ 2.67Å; E153-K171 PolarHBondContact OE1-NZ 3.08Å; E153-K171 WeakPolarHBondContact OE2-CD 3.42Å; E153-K171 VanDerWaalsContact OE2-CE 3.29Å; E153-K171 WeakPolarHBondContact OE2-CE 3.08Å; E153-K171 IonicContact OE2-NZ 2.91Å; E153-K171 PolarHBondContact OE2-NZ 2.94Å; Y156-K171 HydrophobicContact CD1-CB 4.26Å; Y156-K171 HydrophobicContact CD1-CD 3.93Å; Y156-K171 HydrophobicContact CE1-CD 4.22Å; Y156-K171 HydrophobicContact CG-CB 4.06Å; Y156-K171 HydrophobicContact CG-CD 4.15Å; Y156-K171 PolarHBondContact O-N 3.48Å; Y156-K171 VanDerWaalsContact O-N 3.17Å
172I96.4Very high92.5Very high65 Ų6567.4 Ų67.433%0.33334%0.342SS..PPolyproline II helixtrans-89.1147.5171.457.7173.6000110.2L136 N138 Y170 D174L136-I172 HydrophobicContact CB-CD1 4.43Å; L136-I172 HydrophobicContact CB-CG1 3.72Å; L136-I172 HydrophobicContact CD1-CG1 4.47Å; L136-I172 PolarHBondContact O-N 3.09Å; L136-I172 VanDerWaalsContact O-N 3.08Å; N138-I172 WeakPolarHBondContact ND2-CG2 3.13Å; Y170-I172 HydrophobicContact CD2-CG2 4.12Å; Y170-I172 HydrophobicContact CE2-CG2 3.73Å; I172-D174 PolarHBondContact O-N 2.98Å
173P92.7Very high92.2Very high61 Ų6171.8 Ų71.840%0.39637%0.365SS..PPolyproline II helixtrans-59.4137.6176.4-20.131.8000111E153 L175E153-P173 HydrophobicContact CB-CG 4.41Å; P173-L175 PolarHBondContact O-N 2.87Å
174D86.8Confident92.2Very high118 Ų11871.5 Ų71.563%0.63136%0.362SS*.PPolyproline II helixtrans-71.1127.8168.2-156-5000108.9L136 I172 E176L136-D174 HydrophobicContact CD1-CB 3.92Å; I172-D174 PolarHBondContact O-N 2.98Å; D174-E176 PolarHBondContact O-N 2.53Å
175L77.8Confident92.1Very high160 Ų16064.9 Ų64.984%0.83833%0.325SS*.  trans-92.690.3175.4-66.3171.9000106.4P173P173-L175 PolarHBondContact O-N 2.87Å
176E63.8Low91.7Very high257 Ų25767.2 Ų67.2100%1.20134%0.341SS*.  trans-61.10164.3-71.5-170.3168.800111.5D174D174-E176 PolarHBondContact O-N 2.53Å

Retrieved 176 of 176 residues in 119.7 ms (Link to these results)

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