A0A3Q0KKQ2_SCHMA Loading...

Venom allergen-like (VAL) 16 protein

AlphaFold DB , UniProt , Accession A0A3Q0KKQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 169 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
1M42.2Very low82.7Confident212 Ų21278.2 Ų78.2100%1.04438%0.379SS*.  065.30-162.7-178.7-105.600109.5
2I48.5Very low83.9Confident146 Ų14677.4 Ų77.475%0.74938%0.375SS*.  trans-91.9-22.1-177.3-69.9168.8000111.8N4 K5I2-N4 PolarHBondContact O-N 3.2Å; I2-N4 VanDerWaalsContact O-N 3.14Å; I2-K5 PolarHBondContact O-N 2.66Å; I2-K5 VanDerWaalsContact O-N 3.12Å
3I61.2Low85Confident73 Ų7371.5 Ų71.537%0.37435%0.346SS..Hα-helixtrans-59.7-30-174-61.7167.9000112.9N7 Q37I3-N7 PolarHBondContact O-N 3.17Å; I3-N7 PolarHBondContact O-ND2 3.11Å; I3-Q37 HydrophobicContact CD1-CG 3.93Å
4N82.1Confident85.9Confident99 Ų9966.4 Ų66.453%0.52932%0.321SS..Hα-helixtrans-70.6-33.6179.5-71.7-5000113.2I2 K8I2-N4 PolarHBondContact O-N 3.2Å; I2-N4 VanDerWaalsContact O-N 3.14Å; N4-K8 WeakPolarHBondContact O-CB 3.32Å; N4-K8 PolarHBondContact O-N 3.49Å; N4-K8 VanDerWaalsContact O-N 3.15Å
5K93.5Very high86.8Confident125 Ų12563.3 Ų63.354%0.54331%0.307SS..Hα-helixtrans-70.9-48.6-178.3-176.3175.8171.71790111.1I2 N7 K8 E9I2-K5 PolarHBondContact O-N 2.66Å; I2-K5 VanDerWaalsContact O-N 3.12Å; K5-N7 VanDerWaalsContact C-N 3.35Å; K5-N7 PolarHBondContact O-N 2.83Å; K5-K8 PolarHBondContact O-N 2.97Å; K5-E9 WeakPolarHBondContact CE-OE1 3.15Å; K5-E9 HydrophobicContact CG-CG 4.48Å; K5-E9 WeakPolarHBondContact CG-OE1 3.44Å; K5-E9 IonicContact NZ-OE1 3.87Å; K5-E9 WeakPolarHBondContact O-CB 3.34Å; K5-E9 WeakPolarHBondContact O-CG 3.28Å; K5-E9 PolarHBondContact O-N 3Å
6L96Very high87.4Confident13 Ų1363.4 Ų63.47%0.06831%0.307CS..Hα-helixtrans-52.8-51.8176.517773.8000111.4E9 A10 F114 V127L6-E9 PolarHBondContact O-N 2.97Å; L6-A10 VanDerWaalsContact O-CB 3.24Å; L6-A10 WeakPolarHBondContact O-CB 3.24Å; L6-A10 PolarHBondContact O-N 2.88Å; L6-F114 HydrophobicContact CD2-CB 4.05Å; L6-F114 HydrophobicContact CG-CB 4.25Å; L6-V127 HydrophobicContact CD1-CG1 4.39Å
7N97.4Very high88.1Confident4 Ų459.6 Ų59.62%0.02129%0.289CS..Hα-helixtrans-65.3-43-177-82.4-85.1000112.3I3 K5 E9 A10 I11 Y28 F114I3-N7 PolarHBondContact O-N 3.17Å; I3-N7 PolarHBondContact O-ND2 3.11Å; K5-N7 VanDerWaalsContact C-N 3.35Å; K5-N7 PolarHBondContact O-N 2.83Å; N7-E9 PolarHBondContact O-N 3.23Å; N7-A10 PolarHBondContact O-N 3.44Å; N7-I11 WeakPolarHBondContact O-CB 3.44Å; N7-I11 VanDerWaalsContact O-CG1 3.23Å; N7-I11 WeakPolarHBondContact O-CG1 3.32Å; N7-I11 PolarHBondContact O-N 3.14Å; N7-Y28 HydrophobicContact CB-CD2 3.89Å; N7-Y28 HydrophobicContact CB-CE2 3.76Å; N7-Y28 WeakPolarHBondContact OD1-CE2 3.27Å; N7-F114 PolarHBondContact ND2-O 3.31Å; N7-F114 WeakPolarHBondContact OD1-CD2 3.36Å; N7-F114 PolarHBondContact OD1-N 2.81Å; N7-F114 PolarHBondContact OD1-O 3.12Å
8K96.5Very high88.6Confident152 Ų15256.4 Ų56.466%0.66127%0.273SS*.Hα-helixtrans-59-49.6176.8-177.2-178.8177.9-1770111.3N4 K5 Q12N4-K8 WeakPolarHBondContact O-CB 3.32Å; N4-K8 PolarHBondContact O-N 3.49Å; N4-K8 VanDerWaalsContact O-N 3.15Å; K5-K8 PolarHBondContact O-N 2.97Å; K8-Q12 WeakPolarHBondContact O-CB 3.41Å; K8-Q12 PolarHBondContact O-N 3.03Å
9E96.5Very high89.1Confident13 Ų1356.8 Ų56.86%0.06129%0.287CS..Hα-helixtrans-63.7-43.8179.7-75.6171.117800112.5K5 L6 N7 A13 N73 G74 R75 I161K5-E9 WeakPolarHBondContact CE-OE1 3.15Å; K5-E9 HydrophobicContact CG-CG 4.48Å; K5-E9 WeakPolarHBondContact CG-OE1 3.44Å; K5-E9 IonicContact NZ-OE1 3.87Å; K5-E9 WeakPolarHBondContact O-CB 3.34Å; K5-E9 WeakPolarHBondContact O-CG 3.28Å; K5-E9 PolarHBondContact O-N 3Å; L6-E9 PolarHBondContact O-N 2.97Å; N7-E9 PolarHBondContact O-N 3.23Å; E9-A13 VanDerWaalsContact O-CB 3.31Å; E9-A13 WeakPolarHBondContact O-CB 3.36Å; E9-A13 PolarHBondContact O-N 3.25Å; E9-N73 WeakPolarHBondContact OE2-CB 3.36Å; E9-G74 PolarHBondContact OE2-N 2.96Å; E9-R75 HydrophobicContact CB-CG 4.01Å; E9-R75 HydrophobicContact CG-CG 4.45Å; E9-I161 WeakPolarHBondContact OE1-CD1 3.44Å
10A97.7Very high89.6Confident1 Ų155.1 Ų55.11%0.00828%0.278CS..Hα-helixtrans-66.3-46.9179.700000111.6L6 N7 Q12 A13 H14 F114L6-A10 VanDerWaalsContact O-CB 3.24Å; L6-A10 WeakPolarHBondContact O-CB 3.24Å; L6-A10 PolarHBondContact O-N 2.88Å; N7-A10 PolarHBondContact O-N 3.44Å; A10-Q12 VanDerWaalsContact C-N 3.33Å; A10-Q12 PolarHBondContact O-N 2.96Å; A10-A13 PolarHBondContact O-N 3.02Å; A10-H14 WeakPolarHBondContact O-CB 3.4Å; A10-H14 PolarHBondContact O-N 2.92Å; A10-H14 PolarHBondContact O-ND1 3.15Å; A10-F114 HydrophobicContact CB-CD1 4.12Å; A10-F114 HydrophobicContact CB-CD2 3.52Å; A10-F114 HydrophobicContact CB-CE1 4.23Å; A10-F114 HydrophobicContact CB-CE2 3.62Å; A10-F114 HydrophobicContact CB-CG 3.79Å; A10-F114 HydrophobicContact CB-CZ 3.99Å
11I98Very high90Very high22 Ų2252.6 Ų52.611%0.11327%0.265CS..Hα-helixtrans-59.8-45.8176.9-69.7-70.2000110.8N7 H14 N15 I26 A112 F114N7-I11 WeakPolarHBondContact O-CB 3.44Å; N7-I11 VanDerWaalsContact O-CG1 3.23Å; N7-I11 WeakPolarHBondContact O-CG1 3.32Å; N7-I11 PolarHBondContact O-N 3.14Å; I11-H14 PolarHBondContact O-N 3.46Å; I11-N15 PolarHBondContact O-N 2.97Å; I11-I26 HydrophobicContact CD1-CD1 4.17Å; I11-I26 HydrophobicContact CD1-CG1 4.19Å; I11-A112 HydrophobicContact CD1-CB 4.26Å; I11-F114 HydrophobicContact CD1-CE2 3.82Å; I11-F114 HydrophobicContact CG1-CE2 4.05Å
12Q97Very high92.6Very high69 Ų6944.4 Ų44.432%0.32224%0.235SC..Hα-helixtrans-60.7-48.6177.7-172.4-174.6-17.900111.5K8 A10 H14 N15 E16K8-Q12 WeakPolarHBondContact O-CB 3.41Å; K8-Q12 PolarHBondContact O-N 3.03Å; A10-Q12 VanDerWaalsContact C-N 3.33Å; A10-Q12 PolarHBondContact O-N 2.96Å; Q12-H14 VanDerWaalsContact C-N 3.34Å; Q12-H14 PolarHBondContact O-N 3.2Å; Q12-N15 PolarHBondContact O-N 2.92Å; Q12-E16 VanDerWaalsContact CG-OE1 3.31Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.41Å; Q12-E16 PolarHBondContact NE2-OE1 3.27Å; Q12-E16 WeakPolarHBondContact O-CG 3.36Å; Q12-E16 PolarHBondContact O-N 2.88Å
13A97.8Very high95Very high0 Ų037.9 Ų37.90%020%0.203CC..Hα-helixtrans-61.2-40.5177.700000112.6E9 A10 L17 R75 T78 F158E9-A13 VanDerWaalsContact O-CB 3.31Å; E9-A13 WeakPolarHBondContact O-CB 3.36Å; E9-A13 PolarHBondContact O-N 3.25Å; A10-A13 PolarHBondContact O-N 3.02Å; A13-L17 WeakPolarHBondContact O-CD1 3.31Å; A13-L17 VanDerWaalsContact O-CG 3.31Å; A13-L17 WeakPolarHBondContact O-CG 3.45Å; A13-L17 PolarHBondContact O-N 3.34Å; A13-L17 VanDerWaalsContact O-N 3.1Å; A13-R75 HydrophobicContact CB-CB 4.25Å; A13-R75 HydrophobicContact CB-CG 4.15Å; A13-T78 HydrophobicContact CB-CG2 3.83Å; A13-F158 HydrophobicContact CB-CE1 3.96Å; A13-F158 HydrophobicContact CB-CZ 3.73Å
14H98.5Very high96.8Very high0 Ų037.5 Ų37.50%021%0.205CC..Hα-helixtrans-60.7-48.3175.3-80.569.1000110.5A10 I11 Q12 E16 L17 R18 I26 T78 W81 F114 Y131A10-H14 WeakPolarHBondContact O-CB 3.4Å; A10-H14 PolarHBondContact O-N 2.92Å; A10-H14 PolarHBondContact O-ND1 3.15Å; I11-H14 PolarHBondContact O-N 3.46Å; Q12-H14 VanDerWaalsContact C-N 3.34Å; Q12-H14 PolarHBondContact O-N 3.2Å; H14-E16 PolarHBondContact O-N 2.78Å; H14-L17 PolarHBondContact O-N 2.81Å; H14-R18 VanDerWaalsContact O-CB 3.25Å; H14-R18 WeakPolarHBondContact O-CB 3.38Å; H14-R18 WeakPolarHBondContact O-CG 3.45Å; H14-R18 PolarHBondContact O-N 3.22Å; H14-I26 HydrophobicContact CB-CD1 3.72Å; H14-I26 HydrophobicContact CB-CG1 4.19Å; H14-T78 VanDerWaalsContact CE1-CG2 3.46Å; H14-T78 WeakPolarHBondContact CE1-CG2 3.45Å; H14-T78 PolarHBondContact CE1-OG1 2.95Å; H14-T78 VanDerWaalsContact ND1-CG2 3.28Å; H14-T78 WeakPolarHBondContact ND1-CG2 3.38Å; H14-T78 PolarHBondContact ND1-OG1 3.29Å; H14-T78 VanDerWaalsContact ND1-OG1 3.13Å; H14-W81 AromaticContact CE1-CZ3 3.86Å; H14-F114 AromaticContact CE1-CE1 3.51Å; H14-F114 AromaticContact CE1-CZ 3.37Å; H14-F114 WeakPolarHBondContact CE1-CZ 3.22Å; H14-F114 AromaticContact ND1-CZ 3.76Å; H14-F114 AromaticContact NE2-CE1 3.88Å; H14-F114 AromaticContact NE2-CZ 3.74Å; H14-Y131 AromaticContact CD2-CE1 3.81Å; H14-Y131 AromaticContact NE2-CE1 3.44Å; H14-Y131 WeakPolarHBondContact NE2-CE1 3.42Å; H14-Y131 AromaticContact NE2-CZ 3.61Å; H14-Y131 PolarHBondContact NE2-OH 2.87Å
15N98.4Very high97.6Very high20 Ų2040 Ų4011%0.10721%0.214CC..Hα-helixtrans-66-39.5-177.5-71.1-14.1000112.4I11 Q12 L17 R18 A19 E25 I26I11-N15 PolarHBondContact O-N 2.97Å; Q12-N15 PolarHBondContact O-N 2.92Å; N15-L17 PolarHBondContact O-N 3.38Å; N15-R18 PolarHBondContact O-N 2.83Å; N15-A19 WeakPolarHBondContact O-CB 3.44Å; N15-A19 PolarHBondContact O-N 3.23Å; N15-E25 HydrophobicContact CB-CB 4.49Å; N15-E25 HydrophobicContact CB-CG 4.09Å; N15-E25 WeakPolarHBondContact OD1-CA 3.42Å; N15-I26 PolarHBondContact ND2-O 2.72Å; N15-I26 VanDerWaalsContact ND2-O 3.09Å; N15-I26 WeakPolarHBondContact OD1-CG1 3.47Å; N15-I26 PolarHBondContact OD1-N 3Å; N15-I26 PolarHBondContact OD1-O 3.18Å
16E97.5Very high97.8Very high65 Ų6534.3 Ų34.330%0.30419%0.189SC..Hα-helixtrans-59.4-45.1173.4-72.5171.4-154.500112Q12 H14 R75 F158Q12-E16 VanDerWaalsContact CG-OE1 3.31Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.41Å; Q12-E16 PolarHBondContact NE2-OE1 3.27Å; Q12-E16 WeakPolarHBondContact O-CG 3.36Å; Q12-E16 PolarHBondContact O-N 2.88Å; H14-E16 PolarHBondContact O-N 2.78Å; E16-R75 IonicContact OE1-CZ 3.45Å; E16-R75 IonicContact OE1-NH1 3.34Å; E16-R75 PolarHBondContact OE1-NH1 3.07Å; E16-R75 IonicContact OE1-NH2 2.67Å; E16-R75 IonicContact OE2-CZ 2.89Å; E16-R75 IonicContact OE2-NH1 3.87Å; E16-R75 PolarHBondContact OE2-NH1 2.81Å; E16-R75 IonicContact OE2-NH2 3.57Å; E16-R75 PolarHBondContact OE2-NH2 2.89Å; E16-F158 HydrophobicContact CB-CE2 4.11Å; E16-F158 WeakPolarHBondContact OE2-CE2 3.35Å
17L98.3Very high97.9Very high0 Ų036.5 Ų36.50%021%0.205CC..Hα-helixtrans-72.1-40.9179-67166.3000112A13 H14 N15 A19 L20 H21 T78 Y82 A152 F158A13-L17 WeakPolarHBondContact O-CD1 3.31Å; A13-L17 VanDerWaalsContact O-CG 3.31Å; A13-L17 WeakPolarHBondContact O-CG 3.45Å; A13-L17 PolarHBondContact O-N 3.34Å; A13-L17 VanDerWaalsContact O-N 3.1Å; H14-L17 PolarHBondContact O-N 2.81Å; N15-L17 PolarHBondContact O-N 3.38Å; L17-A19 VanDerWaalsContact C-N 3.25Å; L17-A19 PolarHBondContact O-N 2.57Å; L17-L20 HydrophobicContact CD2-CD1 3.99Å; L17-L20 VanDerWaalsContact O-CB 3.27Å; L17-L20 WeakPolarHBondContact O-CB 3.46Å; L17-L20 PolarHBondContact O-N 3.28Å; L17-L20 VanDerWaalsContact O-N 3.11Å; L17-H21 PolarHBondContact O-CD2 3.38Å; L17-T78 HydrophobicContact CD1-CG2 3.72Å; L17-Y82 HydrophobicContact CB-CD2 3.86Å; L17-Y82 HydrophobicContact CB-CE2 3.88Å; L17-Y82 HydrophobicContact CD1-CD1 4.4Å; L17-Y82 HydrophobicContact CD1-CD2 3.84Å; L17-Y82 HydrophobicContact CD1-CG 3.73Å; L17-Y82 HydrophobicContact CD2-CD1 3.82Å; L17-Y82 HydrophobicContact CD2-CD2 3.98Å; L17-Y82 HydrophobicContact CD2-CE1 3.83Å; L17-Y82 HydrophobicContact CD2-CE2 3.97Å; L17-Y82 HydrophobicContact CD2-CG 3.89Å; L17-Y82 HydrophobicContact CG-CD2 4.1Å; L17-Y82 HydrophobicContact CG-CE2 4.34Å; L17-Y82 HydrophobicContact CG-CG 4.25Å; L17-A152 HydrophobicContact CD2-CB 4.48Å; L17-F158 HydrophobicContact CD1-CE1 3.97Å; L17-F158 HydrophobicContact CD1-CE2 4.31Å; L17-F158 HydrophobicContact CD1-CZ 3.55Å; L17-F158 HydrophobicContact CD2-CD2 4.38Å; L17-F158 HydrophobicContact CD2-CE2 3.77Å; L17-F158 HydrophobicContact CD2-CZ 3.86Å; L17-F158 HydrophobicContact CG-CE1 4.33Å; L17-F158 HydrophobicContact CG-CE2 3.77Å; L17-F158 HydrophobicContact CG-CZ 3.49Å; L17-F158 VanDerWaalsContact CG-CZ 3.49Å
18R98.6Very high98Very high1 Ų141.2 Ų41.20%0.00422%0.223CC..Hα-helixtrans-59.9-36.2175.4-75.4173.970.684.2-1.3112H14 N15 L20 H21 G22 C23 P24 V104 W106 K107 T109H14-R18 VanDerWaalsContact O-CB 3.25Å; H14-R18 WeakPolarHBondContact O-CB 3.38Å; H14-R18 WeakPolarHBondContact O-CG 3.45Å; H14-R18 PolarHBondContact O-N 3.22Å; N15-R18 PolarHBondContact O-N 2.83Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 2.69Å; R18-H21 CarbonylContact O-C 3.58Å; R18-H21 PolarHBondContact O-N 3.07Å; R18-G22 PolarHBondContact O-N 3.03Å; R18-G22 VanDerWaalsContact O-N 3.14Å; R18-C23 HydrophobicContact CB-CB 3.97Å; R18-C23 HydrophobicContact CG-CB 4.34Å; R18-C23 PolarHBondContact O-N 3.31Å; R18-P24 PolarHBondContact NE-O 3.17Å; R18-P24 PolarHBondContact NH2-O 2.78Å; R18-V104 WeakPolarHBondContact CD-O 3.42Å; R18-V104 WeakPolarHBondContact CG-O 3.36Å; R18-V104 PolarHBondContact NH1-O 3.13Å; R18-V104 VanDerWaalsContact NH1-O 3.13Å; R18-W106 PolarHBondContact NH1-O 3.46Å; R18-W106 PolarHBondContact NH2-O 2.97Å; R18-K107 PolarHBondContact NH2-O 3.15Å; R18-T109 PolarHBondContact NH2-O 3.3Å
19A98.1Very high98Very high65 Ų6535.5 Ų35.554%0.53720%0.2SC..Hα-helixtrans-61-35.6175.900000112.4N15 L17 H21 G22N15-A19 WeakPolarHBondContact O-CB 3.44Å; N15-A19 PolarHBondContact O-N 3.23Å; L17-A19 VanDerWaalsContact C-N 3.25Å; L17-A19 PolarHBondContact O-N 2.57Å; A19-H21 PolarHBondContact O-N 2.95Å; A19-G22 PolarHBondContact O-N 2.87Å
20L98.1Very high98Very high22 Ų2238.7 Ų38.712%0.11522%0.224CC..Hα-helixtrans-59-30.6175.2-53.9176000112.1L17 R18 P148 K149 I150 A152L17-L20 HydrophobicContact CD2-CD1 3.99Å; L17-L20 VanDerWaalsContact O-CB 3.27Å; L17-L20 WeakPolarHBondContact O-CB 3.46Å; L17-L20 PolarHBondContact O-N 3.28Å; L17-L20 VanDerWaalsContact O-N 3.11Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 2.69Å; L20-P148 CarbonylContact O-C 3.57Å; L20-K149 PolarHBondContact O-N 3.33Å; L20-I150 HydrophobicContact CD2-CB 4.07Å; L20-I150 HydrophobicContact CD2-CG2 4.28Å; L20-A152 HydrophobicContact CD1-CB 3.61Å
21H98.2Very high97.9Very high2 Ų244.4 Ų44.41%0.00925%0.248CC..THydrogen-bonded Turntrans-94.6-4.8-179.6-71.9-94.5000113L17 R18 A19 C23 Y82 F101 P146L17-H21 PolarHBondContact O-CD2 3.38Å; R18-H21 CarbonylContact O-C 3.58Å; R18-H21 PolarHBondContact O-N 3.07Å; A19-H21 PolarHBondContact O-N 2.95Å; H21-C23 PolarHBondContact O-N 3.16Å; H21-Y82 AromaticContact CD2-CE2 3.95Å; H21-Y82 AromaticContact NE2-CE2 3.46Å; H21-Y82 WeakPolarHBondContact NE2-CE2 3.41Å; H21-Y82 AromaticContact NE2-CZ 3.59Å; H21-Y82 PolarHBondContact NE2-OH 3.11Å; H21-F101 AromaticContact CE1-CE2 3.85Å; H21-F101 AromaticContact CE1-CZ 3.72Å; H21-F101 AromaticContact NE2-CE2 3.84Å; H21-P146 HydrophobicContact CB-CG 4.16Å; H21-P146 PolarHBondContact ND1-O 3.1Å; H21-P146 VanDerWaalsContact O-CG 3.31Å; H21-P146 WeakPolarHBondContact O-CG 3.44Å
22G97.5Very high97.9Very high40 Ų4043.9 Ų43.941%0.41225%0.246SC..THydrogen-bonded Turntrans68.623.4-17300000113.7R18 A19R18-G22 PolarHBondContact O-N 3.03Å; R18-G22 VanDerWaalsContact O-N 3.14Å; A19-G22 PolarHBondContact O-N 2.87Å
23C98.4Very high97.9Very high10 Ų1040.6 Ų40.67%0.06823%0.231CC..PPolyproline II helixtrans-82.4146174.2-67.20000110.4R18 H21 I105 P146R18-C23 HydrophobicContact CB-CB 3.97Å; R18-C23 HydrophobicContact CG-CB 4.34Å; R18-C23 PolarHBondContact O-N 3.31Å; H21-C23 PolarHBondContact O-N 3.16Å; C23-I105 PolarHBondContact SG-O 2.84Å; C23-P146 VanDerWaalsContact SG-CG 3.54Å
24P98.4Very high97.9Very high65 Ų6543.2 Ų43.242%0.42225%0.249SC..PPolyproline II helixtrans-65.6154177.628.8-34.7000111R18 K107R18-P24 PolarHBondContact NE-O 3.17Å; R18-P24 PolarHBondContact NH2-O 2.78Å; P24-K107 WeakPolarHBondContact CG-O 3.47Å
25E98.7Very high97.8Very high152 Ų15244.6 Ų44.671%0.7126%0.256SS*.PPolyproline II helixtrans-61.9146.5175.4-65.4-169.216500112.1N15N15-E25 HydrophobicContact CB-CB 4.49Å; N15-E25 HydrophobicContact CB-CG 4.09Å; N15-E25 WeakPolarHBondContact OD1-CA 3.42Å
26I98.7Very high97.7Very high5 Ų543.7 Ų43.73%0.02625%0.251CS..PPolyproline II helixtrans-96.8152.9166.861.2174000110.5I11 H14 N15 T109 I110 A112I11-I26 HydrophobicContact CD1-CD1 4.17Å; I11-I26 HydrophobicContact CD1-CG1 4.19Å; H14-I26 HydrophobicContact CB-CD1 3.72Å; H14-I26 HydrophobicContact CB-CG1 4.19Å; N15-I26 PolarHBondContact ND2-O 2.72Å; N15-I26 VanDerWaalsContact ND2-O 3.09Å; N15-I26 WeakPolarHBondContact OD1-CG1 3.47Å; N15-I26 PolarHBondContact OD1-N 3Å; N15-I26 PolarHBondContact OD1-O 3.18Å; I26-T109 HydrophobicContact CG2-CG2 4.13Å; I26-T109 VanDerWaalsContact CG2-O 3.29Å; I26-T109 WeakPolarHBondContact CG2-O 3.4Å; I26-I110 WeakPolarHBondContact CA-O 3.39Å; I26-A112 HydrophobicContact CD1-CB 3.71Å
27S98.3Very high97.7Very high58 Ų5841.6 Ų41.641%0.40624%0.242SC..EExtended strand (participates in β ladder)trans-107.4154.3176.757.60000111.7I110 K111 A112S27-I110 PolarHBondContact N-O 3.4Å; S27-I110 PolarHBondContact OG-O 3.06Å; S27-I110 VanDerWaalsContact OG-O 3.13Å; S27-K111 CarbonylContact O-C 3.56Å; S27-K111 VanDerWaalsContact O-CA 3.27Å; S27-K111 WeakPolarHBondContact O-CA 3.44Å; S27-K111 WeakPolarHBondContact OG-CG 3.46Å; S27-A112 PolarHBondContact O-N 3.28Å
28Y98.1Very high97.7Very high104 Ų10447.4 Ų47.441%0.40827%0.267SS..EExtended strand (participates in β ladder)trans-67.8134.7172.2169.5-104.7000111N7 S30 A33 A112N7-Y28 HydrophobicContact CB-CD2 3.89Å; N7-Y28 HydrophobicContact CB-CE2 3.76Å; N7-Y28 WeakPolarHBondContact OD1-CE2 3.27Å; Y28-S30 WeakPolarHBondContact OH-CA 3.33Å; Y28-A33 HydrophobicContact CE2-CB 3.52Å; Y28-A112 WeakPolarHBondContact CA-O 3.41Å
29D97.6Very high97.6Very high32 Ų3249.7 Ų49.717%0.17128%0.275CS..  trans-121.4120169.7-169.4-71.6000110.7K31 L32 A33 K111 A112D29-K31 VanDerWaalsContact C-N 3.33Å; D29-K31 PolarHBondContact O-N 3.13Å; D29-K31 WeakPolarHBondContact OD1-CB 3.44Å; D29-K31 PolarHBondContact OD1-N 2.97Å; D29-L32 HydrophobicContact CB-CB 4.19Å; D29-L32 HydrophobicContact CB-CD1 3.93Å; D29-L32 HydrophobicContact CB-CG 4.02Å; D29-L32 PolarHBondContact O-N 2.68Å; D29-L32 PolarHBondContact OD1-N 2.85Å; D29-A33 PolarHBondContact O-N 2.87Å; D29-K111 HydrophobicContact CB-CB 4.1Å; D29-K111 HydrophobicContact CB-CD 4.25Å; D29-K111 HydrophobicContact CB-CG 4.37Å; D29-K111 WeakPolarHBondContact OD2-CD 3.37Å; D29-K111 IonicContact OD2-NZ 3.9Å; D29-K111 PolarHBondContact OD2-NZ 3.2Å; D29-K111 VanDerWaalsContact OD2-NZ 3.07Å; D29-A112 PolarHBondContact N-O 2.95Å
30S96.2Very high97.6Very high79 Ų7946.6 Ų46.655%0.55225%0.25SC*.Hα-helixtrans-69.7-28.9-173.658.80000113.5Y28 S34Y28-S30 WeakPolarHBondContact OH-CA 3.33Å; S30-S34 WeakPolarHBondContact O-CB 3.43Å; S30-S34 PolarHBondContact O-N 2.81Å
31K96.1Very high97.6Very high122 Ų12250.4 Ų50.453%0.5327%0.267SS..Hα-helixtrans-70.7-47.7176.5-177.461169.6780109.9D29 A33 S34 D35D29-K31 VanDerWaalsContact C-N 3.33Å; D29-K31 PolarHBondContact O-N 3.13Å; D29-K31 WeakPolarHBondContact OD1-CB 3.44Å; D29-K31 PolarHBondContact OD1-N 2.97Å; K31-A33 VanDerWaalsContact C-N 3.29Å; K31-A33 PolarHBondContact O-N 3.03Å; K31-S34 PolarHBondContact O-N 3.34Å; K31-D35 IonicContact NZ-OD1 3.78Å; K31-D35 PolarHBondContact NZ-OD1 3.06Å; K31-D35 IonicContact NZ-OD2 2.88Å; K31-D35 PolarHBondContact NZ-OD2 2.75Å; K31-D35 VanDerWaalsContact O-CG 3.29Å; K31-D35 PolarHBondContact O-N 2.97Å
32L97.4Very high97.6Very high10 Ų1053.6 Ų53.65%0.05228%0.282CS..Hα-helixtrans-56.6-44.9174.3-65.6-178.4000111D29 S34 D35 S36 K111 R130 K132D29-L32 HydrophobicContact CB-CB 4.19Å; D29-L32 HydrophobicContact CB-CD1 3.93Å; D29-L32 HydrophobicContact CB-CG 4.02Å; D29-L32 PolarHBondContact O-N 2.68Å; D29-L32 PolarHBondContact OD1-N 2.85Å; L32-S34 PolarHBondContact O-N 2.95Å; L32-D35 PolarHBondContact O-N 3.48Å; L32-S36 WeakPolarHBondContact O-CB 3.38Å; L32-S36 PolarHBondContact O-N 2.86Å; L32-S36 PolarHBondContact O-OG 2.89Å; L32-K111 HydrophobicContact CD1-CB 4.32Å; L32-R130 HydrophobicContact CB-CB 4.41Å; L32-R130 HydrophobicContact CD2-CB 4.24Å; L32-K132 HydrophobicContact CD1-CB 3.91Å
33A97.7Very high97.6Very high1 Ų151.7 Ų51.71%0.00826%0.262CS..Hα-helixtrans-63.7-42.8179.400000112.8Y28 D29 K31 D35 S36 Q37Y28-A33 HydrophobicContact CE2-CB 3.52Å; D29-A33 PolarHBondContact O-N 2.87Å; K31-A33 VanDerWaalsContact C-N 3.29Å; K31-A33 PolarHBondContact O-N 3.03Å; A33-D35 VanDerWaalsContact C-N 3.33Å; A33-D35 PolarHBondContact O-N 3.37Å; A33-S36 PolarHBondContact O-N 3.06Å; A33-Q37 WeakPolarHBondContact O-CB 3.12Å; A33-Q37 PolarHBondContact O-N 3.31Å
34S96.4Very high97.6Very high55 Ų5551.5 Ų51.539%0.38526%0.261SS..Hα-helixtrans-61.2-42.6175.8-176.70000111.9S30 K31 L32 Q37 K38S30-S34 WeakPolarHBondContact O-CB 3.43Å; S30-S34 PolarHBondContact O-N 2.81Å; K31-S34 PolarHBondContact O-N 3.34Å; L32-S34 PolarHBondContact O-N 2.95Å; S34-Q37 PolarHBondContact O-N 3.13Å; S34-K38 WeakPolarHBondContact O-CG 3.23Å; S34-K38 PolarHBondContact O-N 3.19Å; S34-K38 VanDerWaalsContact O-N 3.16Å
35D96.4Very high97.5Very high29 Ų2952.4 Ų52.416%0.15527%0.269CS..Hα-helixtrans-74.5-36.9-179.1-58.4-31.4000112.3K31 L32 A33 Q37 K38 W39 R130K31-D35 IonicContact NZ-OD1 3.78Å; K31-D35 PolarHBondContact NZ-OD1 3.06Å; K31-D35 IonicContact NZ-OD2 2.88Å; K31-D35 PolarHBondContact NZ-OD2 2.75Å; K31-D35 VanDerWaalsContact O-CG 3.29Å; K31-D35 PolarHBondContact O-N 2.97Å; L32-D35 PolarHBondContact O-N 3.48Å; A33-D35 VanDerWaalsContact C-N 3.33Å; A33-D35 PolarHBondContact O-N 3.37Å; D35-Q37 VanDerWaalsContact C-N 3.29Å; D35-Q37 PolarHBondContact O-N 3.14Å; D35-K38 PolarHBondContact O-N 3.14Å; D35-K38 IonicContact OD1-NZ 2.71Å; D35-W39 PolarHBondContact O-N 3.03Å; D35-R130 VanDerWaalsContact C-NH1 3.28Å; D35-R130 PolarHBondContact O-NH1 2.89Å
36S97.5Very high97.4Very high0 Ų048.5 Ų48.50%025%0.253CS..Hα-helixtrans-59.3-40.8171-67.30000111.4L32 A33 W39 A40 G113 R130L32-S36 WeakPolarHBondContact O-CB 3.38Å; L32-S36 PolarHBondContact O-N 2.86Å; L32-S36 PolarHBondContact O-OG 2.89Å; A33-S36 PolarHBondContact O-N 3.06Å; S36-W39 PolarHBondContact O-N 3Å; S36-A40 WeakPolarHBondContact O-CB 3.43Å; S36-A40 PolarHBondContact O-N 3.03Å; S36-G113 PolarHBondContact OG-O 3.19Å; S36-R130 WeakPolarHBondContact OG-CB 3.31Å; S36-R130 WeakPolarHBondContact OG-CG 3.41Å; S36-R130 PolarHBondContact OG-N 3.32Å
37Q97.7Very high97.3Very high22 Ų2251.8 Ų51.810%0.10327%0.27CS..Hα-helixtrans-62.7-47.4176.7-177.260.544.200111.9I3 A33 S34 D35 W39 A40 E41 S116I3-Q37 HydrophobicContact CD1-CG 3.93Å; A33-Q37 WeakPolarHBondContact O-CB 3.12Å; A33-Q37 PolarHBondContact O-N 3.31Å; S34-Q37 PolarHBondContact O-N 3.13Å; D35-Q37 VanDerWaalsContact C-N 3.29Å; D35-Q37 PolarHBondContact O-N 3.14Å; Q37-W39 PolarHBondContact O-N 3.49Å; Q37-A40 PolarHBondContact O-N 3.44Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.47Å; Q37-E41 PolarHBondContact NE2-OE1 2.74Å; Q37-E41 WeakPolarHBondContact O-CG 3.2Å; Q37-E41 PolarHBondContact O-N 3.33Å; Q37-S116 PolarHBondContact NE2-O 3.15Å; Q37-S116 PolarHBondContact OE1-O 3.29Å
38K96.8Very high97.2Very high122 Ų12251.6 Ų51.653%0.5327%0.268SS..Hα-helixtrans-58.3-39.2175.5-69.1170.3-171.7163.80111.9S34 D35 H42S34-K38 WeakPolarHBondContact O-CG 3.23Å; S34-K38 PolarHBondContact O-N 3.19Å; S34-K38 VanDerWaalsContact O-N 3.16Å; D35-K38 PolarHBondContact O-N 3.14Å; D35-K38 IonicContact OD1-NZ 2.71Å; K38-H42 PolarHBondContact O-N 3.48Å
39W97.7Very high97.1Very high48 Ų4850.5 Ų50.518%0.18227%0.269CS..Hα-helixtrans-70.3-42.7177.9-164.3-117.5000112.1D35 S36 Q37 E41 H42 L43 Q50 H51 S52 V128D35-W39 PolarHBondContact O-N 3.03Å; S36-W39 PolarHBondContact O-N 3Å; Q37-W39 PolarHBondContact O-N 3.49Å; W39-E41 VanDerWaalsContact C-N 3.29Å; W39-E41 PolarHBondContact O-N 3.44Å; W39-H42 HydrophobicContact CE3-CB 4.19Å; W39-H42 AromaticContact CE3-CD2 3.83Å; W39-H42 AromaticContact CH2-CD2 3.46Å; W39-H42 VanDerWaalsContact CH2-CD2 3.46Å; W39-H42 WeakPolarHBondContact CH2-CD2 3.35Å; W39-H42 AromaticContact CH2-NE2 3.88Å; W39-H42 HydrophobicContact CZ3-CB 4.48Å; W39-H42 AromaticContact CZ3-CD2 3.35Å; W39-H42 WeakPolarHBondContact CZ3-CD2 3.39Å; W39-H42 AromaticContact CZ3-NE2 4Å; W39-H42 WeakPolarHBondContact O-CA 3.3Å; W39-H42 WeakPolarHBondContact O-CB 3.44Å; W39-H42 PolarHBondContact O-N 2.85Å; W39-H42 VanDerWaalsContact O-N 3.08Å; W39-L43 HydrophobicContact CZ2-CD2 4.23Å; W39-L43 WeakPolarHBondContact O-CG 3.29Å; W39-L43 PolarHBondContact O-N 2.97Å; W39-Q50 HydrophobicContact CZ2-CG 4.38Å; W39-Q50 PolarHBondContact NE1-O 3.03Å; W39-Q50 VanDerWaalsContact NE1-O 3.17Å; W39-H51 WeakPolarHBondContact CZ2-O 3.46Å; W39-S52 VanDerWaalsContact CE2-CB 3.49Å; W39-V128 HydrophobicContact CB-CG1 4.4Å; W39-V128 HydrophobicContact CB-CG2 4.31Å; W39-V128 HydrophobicContact CG-CG2 4.46Å
40A97.9Very high97Very high0 Ų053.1 Ų53.10%028%0.28CS..Hα-helixtrans-56.9-44.4174.800000111.5S36 Q37 H42 L43 A44 A117 V128S36-A40 WeakPolarHBondContact O-CB 3.43Å; S36-A40 PolarHBondContact O-N 3.03Å; Q37-A40 PolarHBondContact O-N 3.44Å; A40-H42 VanDerWaalsContact C-N 3.34Å; A40-H42 PolarHBondContact O-N 3.33Å; A40-L43 PolarHBondContact O-N 3.11Å; A40-A44 WeakPolarHBondContact O-CB 3.46Å; A40-A44 PolarHBondContact O-N 2.73Å; A40-A117 VanDerWaalsContact C-CB 3.48Å; A40-A117 HydrophobicContact CB-CB 4.04Å; A40-A117 WeakPolarHBondContact O-CB 3.5Å; A40-V128 HydrophobicContact CB-CB 4.48Å; A40-V128 HydrophobicContact CB-CG2 3.83Å
41E97.7Very high96.9Very high102 Ų10254.2 Ų54.248%0.47728%0.276SS..Hα-helixtrans-61.1-41.1174.9-72164.5-172.500112.2Q37 W39 A44 S45 A117Q37-E41 WeakPolarHBondContact CG-OE1 3.47Å; Q37-E41 PolarHBondContact NE2-OE1 2.74Å; Q37-E41 WeakPolarHBondContact O-CG 3.2Å; Q37-E41 PolarHBondContact O-N 3.33Å; W39-E41 VanDerWaalsContact C-N 3.29Å; W39-E41 PolarHBondContact O-N 3.44Å; E41-A44 PolarHBondContact O-N 3.42Å; E41-S45 WeakPolarHBondContact O-CB 3.28Å; E41-S45 PolarHBondContact O-N 3.42Å; E41-A117 HydrophobicContact CB-CB 4.43Å; E41-A117 HydrophobicContact CG-CB 3.97Å
42H97.9Very high96.9Very high70 Ų7049.3 Ų49.332%0.32426%0.257SS..Hα-helixtrans-61-51.3173.7178.364.6000111.6K38 W39 A40 A44 S45 I46K38-H42 PolarHBondContact O-N 3.48Å; W39-H42 HydrophobicContact CE3-CB 4.19Å; W39-H42 AromaticContact CE3-CD2 3.83Å; W39-H42 AromaticContact CH2-CD2 3.46Å; W39-H42 VanDerWaalsContact CH2-CD2 3.46Å; W39-H42 WeakPolarHBondContact CH2-CD2 3.35Å; W39-H42 AromaticContact CH2-NE2 3.88Å; W39-H42 HydrophobicContact CZ3-CB 4.48Å; W39-H42 AromaticContact CZ3-CD2 3.35Å; W39-H42 WeakPolarHBondContact CZ3-CD2 3.39Å; W39-H42 AromaticContact CZ3-NE2 4Å; W39-H42 WeakPolarHBondContact O-CA 3.3Å; W39-H42 WeakPolarHBondContact O-CB 3.44Å; W39-H42 PolarHBondContact O-N 2.85Å; W39-H42 VanDerWaalsContact O-N 3.08Å; A40-H42 VanDerWaalsContact C-N 3.34Å; A40-H42 PolarHBondContact O-N 3.33Å; H42-A44 VanDerWaalsContact C-N 3.29Å; H42-A44 PolarHBondContact O-N 3.42Å; H42-S45 WeakPolarHBondContact O-CB 3.28Å; H42-S45 PolarHBondContact O-N 2.98Å; H42-S45 PolarHBondContact O-OG 3.43Å; H42-I46 WeakPolarHBondContact O-CG1 3.43Å; H42-I46 PolarHBondContact O-N 3.04Å; H42-I46 VanDerWaalsContact O-N 3.1Å
43L98.1Very high96.6Very high0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-56.7-42.6178.2-63.1176.2000112W39 A40 S45 I46 N47 C48 L49 Q50 L61 Y126 V128W39-L43 HydrophobicContact CZ2-CD2 4.23Å; W39-L43 WeakPolarHBondContact O-CG 3.29Å; W39-L43 PolarHBondContact O-N 2.97Å; A40-L43 PolarHBondContact O-N 3.11Å; L43-S45 VanDerWaalsContact C-N 3.35Å; L43-S45 PolarHBondContact O-N 3.16Å; L43-I46 PolarHBondContact O-N 3.47Å; L43-N47 WeakPolarHBondContact O-CA 3.48Å; L43-N47 PolarHBondContact O-N 3.3Å; L43-C48 WeakPolarHBondContact CB-O 3.38Å; L43-C48 WeakPolarHBondContact CD2-O 3.29Å; L43-C48 PolarHBondContact O-N 3.16Å; L43-L49 HydrophobicContact CD1-CD1 4.4Å; L43-Q50 HydrophobicContact CD2-CG 3.75Å; L43-Q50 VanDerWaalsContact CD2-O 3.28Å; L43-Q50 WeakPolarHBondContact CD2-O 3.23Å; L43-L61 HydrophobicContact CD1-CD2 4.06Å; L43-Y126 HydrophobicContact CB-CD1 3.74Å; L43-Y126 HydrophobicContact CB-CE1 4.34Å; L43-Y126 HydrophobicContact CB-CG 4Å; L43-V128 HydrophobicContact CD1-CG2 3.81Å
44A97.7Very high95.9Very high6 Ų660.5 Ų60.55%0.0531%0.314CS..Hα-helixtrans-64.2-37.5175.700000113A40 E41 H42 A117 L118 Y126A40-A44 WeakPolarHBondContact O-CB 3.46Å; A40-A44 PolarHBondContact O-N 2.73Å; E41-A44 PolarHBondContact O-N 3.42Å; H42-A44 VanDerWaalsContact C-N 3.29Å; H42-A44 PolarHBondContact O-N 3.42Å; A44-A117 HydrophobicContact CB-CB 3.79Å; A44-L118 WeakPolarHBondContact CB-O 3.4Å; A44-Y126 HydrophobicContact CB-CD2 3.75Å; A44-Y126 HydrophobicContact CB-CE2 4.07Å
45S97.5Very high95.3Very high83 Ų8365.2 Ų65.258%0.5834%0.335SS*.Hα-helixtrans-67.9-37.8178.8770000112.9E41 H42 L43E41-S45 WeakPolarHBondContact O-CB 3.28Å; E41-S45 PolarHBondContact O-N 3.42Å; H42-S45 WeakPolarHBondContact O-CB 3.28Å; H42-S45 PolarHBondContact O-N 2.98Å; H42-S45 PolarHBondContact O-OG 3.43Å; L43-S45 VanDerWaalsContact C-N 3.35Å; L43-S45 PolarHBondContact O-N 3.16Å
46I97.1Very high95.1Very high71 Ų7168 Ų6836%0.36435%0.35SS..Hα-helixtrans-92.7-5.7-179.567.3171.8000113.2H42 L43 C48 Q50H42-I46 WeakPolarHBondContact O-CG1 3.43Å; H42-I46 PolarHBondContact O-N 3.04Å; H42-I46 VanDerWaalsContact O-N 3.1Å; L43-I46 PolarHBondContact O-N 3.47Å; I46-C48 VanDerWaalsContact C-N 3.27Å; I46-C48 HydrophobicContact CD1-CB 3.79Å; I46-C48 HydrophobicContact CG1-CB 3.83Å; I46-C48 PolarHBondContact O-N 3Å; I46-Q50 VanDerWaalsContact CD1-NE2 3.28Å
47N96.2Very high95.1Very high74 Ų7469.6 Ų69.640%0.39636%0.356SS..THydrogen-bonded Turntrans53.338.6-175.5-72.3-75.1000114.6L43 S119 Y126L43-N47 WeakPolarHBondContact O-CA 3.48Å; L43-N47 PolarHBondContact O-N 3.3Å; N47-S119 WeakPolarHBondContact OD1-CB 3.33Å; N47-Y126 VanDerWaalsContact CA-OH 3.28Å; N47-Y126 WeakPolarHBondContact CA-OH 3.39Å
48C96Very high95.1Very high53 Ų5368.9 Ų68.936%0.35836%0.356SS..  trans-135.2133.2-176.3-172.50000110.1L43 I46L43-C48 WeakPolarHBondContact CB-O 3.38Å; L43-C48 WeakPolarHBondContact CD2-O 3.29Å; L43-C48 PolarHBondContact O-N 3.16Å; I46-C48 VanDerWaalsContact C-N 3.27Å; I46-C48 HydrophobicContact CD1-CB 3.79Å; I46-C48 HydrophobicContact CG1-CB 3.83Å; I46-C48 PolarHBondContact O-N 3Å
49L94.5Very high95.2Very high82 Ų8264.1 Ų64.143%0.42934%0.335SS..  trans-90.8110.1172.5-166.473.7000108.5L43 L61 F63 Y126L43-L49 HydrophobicContact CD1-CD1 4.4Å; L49-L61 HydrophobicContact CD1-CB 3.9Å; L49-L61 HydrophobicContact CD1-CD1 4.27Å; L49-L61 HydrophobicContact CG-CB 4.26Å; L49-L61 HydrophobicContact CG-CD1 4.2Å; L49-F63 HydrophobicContact CD1-CB 4Å; L49-F63 HydrophobicContact CD2-CB 3.86Å; L49-F63 HydrophobicContact CG-CB 4.47Å; L49-Y126 HydrophobicContact CD1-CD1 3.9Å
50Q96.5Very high95.2Very high86 Ų8661.9 Ų61.940%0.40233%0.327SS..  trans-149.814817962.5178.12.400110.7W39 L43 I46 L61W39-Q50 HydrophobicContact CZ2-CG 4.38Å; W39-Q50 PolarHBondContact NE1-O 3.03Å; W39-Q50 VanDerWaalsContact NE1-O 3.17Å; L43-Q50 HydrophobicContact CD2-CG 3.75Å; L43-Q50 VanDerWaalsContact CD2-O 3.28Å; L43-Q50 WeakPolarHBondContact CD2-O 3.23Å; I46-Q50 VanDerWaalsContact CD1-NE2 3.28Å; Q50-L61 VanDerWaalsContact O-CD1 3.28Å; Q50-L61 WeakPolarHBondContact O-CD1 3.39Å
51H94.9Very high95.2Very high103 Ų10362.4 Ų62.448%0.47733%0.329SS..  trans-65.9151.6174.2-78.4-67.8000111.9W39 E59W39-H51 WeakPolarHBondContact CZ2-O 3.46Å; H51-E59 WeakPolarHBondContact CA-OE1 3.38Å; H51-E59 PolarHBondContact CE1-O 3.48Å; H51-E59 IonicContact CG-OE1 3.84Å; H51-E59 IonicContact ND1-OE1 3.51Å; H51-E59 PolarHBondContact ND1-OE1 2.98Å
52S94.9Very high95.2Very high18 Ų1857.9 Ų57.913%0.12631%0.309CS..  trans-71.6167.7168.367.70000111.6W39 Y57 E59 R130W39-S52 VanDerWaalsContact CE2-CB 3.49Å; S52-Y57 WeakPolarHBondContact OG-CE2 3.45Å; S52-Y57 PolarHBondContact OG-OH 3.01Å; S52-E59 WeakPolarHBondContact CB-OE2 3.43Å; S52-E59 PolarHBondContact N-OE1 3.25Å; S52-E59 PolarHBondContact OG-OE2 2.95Å; S52-R130 PolarHBondContact OG-NH2 2.88Å; S52-R130 VanDerWaalsContact OG-NH2 3.16Å
53K91.6Very high95.2Very high213 Ų21358.3 Ų58.393%0.92631%0.31SS*.SBendtrans-89.14.8179.2-63.6-173.6178.4-176.80114.1
54G83.7Confident95.1Very high33 Ų3361.6 Ų61.634%0.3433%0.326SS..  trans-80149.6-177.400000112.4
55D83.6Confident95Very high154 Ų15467.5 Ų67.582%0.82435%0.354SS*.  trans-121.8-5.5-176.560.4-8.6000113.9Y57D55-Y57 VanDerWaalsContact C-N 3.33Å; D55-Y57 PolarHBondContact O-N 3.47Å
56D91.4Very high94.9Very high87 Ų8765.1 Ų65.147%0.46534%0.337SS..SBendtrans-90.26.8-178.384.3-60.6000114.4K132D56-K132 PolarHBondContact O-NZ 2.67Å; D56-K132 IonicContact OD2-NZ 3.48Å; D56-K132 PolarHBondContact OD2-NZ 3.38Å
57Y97.1Very high94.7Very high34 Ų3468.2 Ų68.213%0.13336%0.36CS..SBendtrans-148.2155.1178.252.3-102.4000111.1S52 D55 E59 R130 Y131S52-Y57 WeakPolarHBondContact OG-CE2 3.45Å; S52-Y57 PolarHBondContact OG-OH 3.01Å; D55-Y57 VanDerWaalsContact C-N 3.33Å; D55-Y57 PolarHBondContact O-N 3.47Å; Y57-E59 HydrophobicContact CD2-CB 4.39Å; Y57-E59 HydrophobicContact CE2-CB 4.39Å; Y57-R130 HydrophobicContact CD2-CB 4.29Å; Y57-R130 HydrophobicContact CD2-CG 3.75Å; Y57-R130 HydrophobicContact CE2-CG 4.02Å; Y57-R130 HydrophobicContact CG-CB 4.43Å; Y57-R130 HydrophobicContact CG-CG 4.29Å; Y57-R130 PolarHBondContact OH-NH2 2.99Å; Y57-Y131 CarbonylContact C-O 3.59Å; Y57-Y131 VanDerWaalsContact CA-O 3.28Å; Y57-Y131 WeakPolarHBondContact CA-O 3.43Å; Y57-Y131 WeakPolarHBondContact CB-O 3.42Å
58G97.9Very high94.5Very high8 Ų869.4 Ų69.48%0.08238%0.38CS..EExtended strand (participates in β ladder)trans-80.2157.3163.400000110.6R130 Y131 A134G58-R130 CarbonylContact O-C 3.53Å; G58-R130 VanDerWaalsContact O-CA 3.23Å; G58-R130 WeakPolarHBondContact O-CA 3.31Å; G58-Y131 PolarHBondContact N-O 2.8Å; G58-Y131 PolarHBondContact O-N 3.36Å; G58-A134 VanDerWaalsContact N-CB 3.33Å
59E98.4Very high94.3Very high22 Ų2268.8 Ų68.810%0.10338%0.382CS..EExtended strand (participates in β ladder)trans-141.5130.7-178.7-168.7175.48200112H51 S52 Y57 L61 V128 G129 R130H51-E59 WeakPolarHBondContact CA-OE1 3.38Å; H51-E59 PolarHBondContact CE1-O 3.48Å; H51-E59 IonicContact CG-OE1 3.84Å; H51-E59 IonicContact ND1-OE1 3.51Å; H51-E59 PolarHBondContact ND1-OE1 2.98Å; S52-E59 WeakPolarHBondContact CB-OE2 3.43Å; S52-E59 PolarHBondContact N-OE1 3.25Å; S52-E59 PolarHBondContact OG-OE2 2.95Å; Y57-E59 HydrophobicContact CD2-CB 4.39Å; Y57-E59 HydrophobicContact CE2-CB 4.39Å; E59-L61 HydrophobicContact CG-CD2 4.05Å; E59-V128 HydrophobicContact CG-CG1 4.14Å; E59-G129 CarbonylContact C-O 3.54Å; E59-G129 VanDerWaalsContact CA-O 3.3Å; E59-G129 WeakPolarHBondContact CA-O 3.44Å; E59-R130 HydrophobicContact CG-CG 4.29Å; E59-R130 IonicContact OE2-CZ 2.78Å; E59-R130 IonicContact OE2-NE 3.69Å; E59-R130 PolarHBondContact OE2-NE 2.89Å; E59-R130 IonicContact OE2-NH2 3.07Å; E59-R130 PolarHBondContact OE2-NH2 3.37Å
60N98.5Very high94.3Very high1 Ų165.3 Ų65.31%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-116.4142.5166.8-73.2-2.9000110W81 H100 Q103 G129 Y131N60-W81 HydrophobicContact CB-CD2 3.73Å; N60-W81 VanDerWaalsContact CB-CE2 3.5Å; N60-W81 HydrophobicContact CB-CE3 4.12Å; N60-W81 HydrophobicContact CB-CG 4.19Å; N60-W81 HydrophobicContact CB-CH2 4.16Å; N60-W81 HydrophobicContact CB-CZ2 3.73Å; N60-W81 HydrophobicContact CB-CZ3 4.34Å; N60-H100 PolarHBondContact ND2-O 2.88Å; N60-H100 WeakPolarHBondContact OD1-CA 3.33Å; N60-H100 PolarHBondContact OD1-CD2 2.92Å; N60-Q103 WeakPolarHBondContact OD1-CB 3.34Å; N60-G129 PolarHBondContact N-O 2.85Å; N60-G129 PolarHBondContact O-N 3.19Å; N60-Y131 HydrophobicContact CB-CE2 3.82Å; N60-Y131 PolarHBondContact ND2-OH 2.9Å
61L98Very high94.2Very high10 Ų1064.9 Ų64.95%0.05237%0.372CS..EExtended strand (participates in β ladder)trans-120.4138.5177.1-55.4179000109.8L43 L49 Q50 E59 W81 V127 V128L43-L61 HydrophobicContact CD1-CD2 4.06Å; L49-L61 HydrophobicContact CD1-CB 3.9Å; L49-L61 HydrophobicContact CD1-CD1 4.27Å; L49-L61 HydrophobicContact CG-CB 4.26Å; L49-L61 HydrophobicContact CG-CD1 4.2Å; Q50-L61 VanDerWaalsContact O-CD1 3.28Å; Q50-L61 WeakPolarHBondContact O-CD1 3.39Å; E59-L61 HydrophobicContact CG-CD2 4.05Å; L61-W81 VanDerWaalsContact C-NE1 3.26Å; L61-W81 PolarHBondContact O-NE1 2.79Å; L61-V127 CarbonylContact C-O 3.6Å; L61-V127 WeakPolarHBondContact CA-O 3.34Å; L61-V128 HydrophobicContact CD2-CB 4.26Å; L61-V128 HydrophobicContact CD2-CG1 4.05Å; L61-V128 HydrophobicContact CD2-CG2 3.76Å
62A97.7Very high94.2Very high7 Ų760.4 Ų60.46%0.05835%0.352CS..EExtended strand (participates in β ladder)trans-128.5150168.900000110.3L72 A77 W81 V127A62-L72 HydrophobicContact CB-CD2 3.58Å; A62-A77 HydrophobicContact CB-CB 4.33Å; A62-W81 HydrophobicContact CB-CZ2 3.91Å; A62-V127 HydrophobicContact CB-CB 4.25Å; A62-V127 PolarHBondContact N-O 3.31Å; A62-V127 PolarHBondContact O-N 3.39Å
63F96.7Very high94.1Very high79 Ų7961.2 Ų61.235%0.34636%0.355SS..EExtended strand (participates in β ladder)trans-141.9140-175.9173.9-96000110L49 M65 K124 V125 Y126L49-F63 HydrophobicContact CD1-CB 4Å; L49-F63 HydrophobicContact CD2-CB 3.86Å; L49-F63 HydrophobicContact CG-CB 4.47Å; F63-M65 HydrophobicContact CE1-CB 4.12Å; F63-M65 HydrophobicContact CZ-CB 4.16Å; F63-K124 HydrophobicContact CE2-CB 3.72Å; F63-K124 HydrophobicContact CE2-CD 3.9Å; F63-K124 HydrophobicContact CE2-CG 3.93Å; F63-K124 HydrophobicContact CZ-CB 4.12Å; F63-K124 HydrophobicContact CZ-CD 3.91Å; F63-K124 HydrophobicContact CZ-CG 3.86Å; F63-V125 WeakPolarHBondContact CA-O 3.38Å; F63-Y126 AromaticContact CD2-CD1 3.8Å; F63-Y126 HydrophobicContact CD2-CD1 3.8Å; F63-Y126 AromaticContact CD2-CE1 3.52Å; F63-Y126 HydrophobicContact CD2-CE1 3.52Å; F63-Y126 HydrophobicContact CD2-CG 4.4Å; F63-Y126 AromaticContact CD2-CZ 3.92Å; F63-Y126 HydrophobicContact CE2-CD1 4.37Å; F63-Y126 AromaticContact CE2-CE1 3.68Å; F63-Y126 HydrophobicContact CE2-CE1 3.68Å; F63-Y126 HydrophobicContact CE2-CE2 4.27Å; F63-Y126 AromaticContact CE2-CZ 3.63Å
64Q96.3Very high94.4Very high69 Ų6951.1 Ų51.132%0.32231%0.311SS..EExtended strand (participates in β ladder)trans-143.5143.7169.3-176.8170.7-48.400110.3S71 L72 K124 V125Q64-S71 PolarHBondContact NE2-O 3.44Å; Q64-L72 HydrophobicContact CB-CD1 4.45Å; Q64-K124 CarbonylContact O-C 3.52Å; Q64-K124 WeakPolarHBondContact O-CA 3.42Å; Q64-V125 HydrophobicContact CB-CG1 3.77Å; Q64-V125 PolarHBondContact N-O 3.12Å; Q64-V125 VanDerWaalsContact N-O 3.14Å; Q64-V125 PolarHBondContact O-N 3.39Å
65M96.4Very high95Very high130 Ų13049.8 Ų49.864%0.6430%0.295SS*.EExtended strand (participates in β ladder)trans-117.2141.2174.8-173.5175.869.100110.1F63 K123 K124F63-M65 HydrophobicContact CE1-CB 4.12Å; F63-M65 HydrophobicContact CZ-CB 4.16Å; M65-K123 CarbonylContact C-O 3.57Å; M65-K123 VanDerWaalsContact CA-O 3.22Å; M65-K123 WeakPolarHBondContact CA-O 3.45Å; M65-K123 WeakPolarHBondContact CG-O 3.4Å; M65-K124 HydrophobicContact CB-CG 4.46Å; M65-K124 HydrophobicContact CG-CG 4.14Å
66S95.1Very high95.7Very high33 Ų3344.6 Ų44.623%0.23127%0.266CS..  trans-150.7137.1176168.60000110.3A68 G69 K123S66-A68 VanDerWaalsContact C-N 3.3Å; S66-A68 PolarHBondContact OG-N 3.42Å; S66-A68 VanDerWaalsContact OG-N 3.16Å; S66-G69 WeakPolarHBondContact CB-O 3.5Å; S66-G69 PolarHBondContact OG-N 2.89Å; S66-G69 PolarHBondContact OG-O 3.09Å; S66-K123 PolarHBondContact N-O 2.91Å; S66-K123 WeakPolarHBondContact O-CA 3.47Å; S66-K123 WeakPolarHBondContact O-CB 3.47Å
67T92.5Very high96Very high136 Ų13640.5 Ų40.583%0.83424%0.244SC*.THydrogen-bonded Turntrans-74.2-22.9173.851.70000112.6
68A92.2Very high96Very high99 Ų9938.9 Ų38.982%0.81824%0.238SC*.THydrogen-bonded Turntrans-93.99.2179.300000113.4S66S66-A68 VanDerWaalsContact C-N 3.3Å; S66-A68 PolarHBondContact OG-N 3.42Å; S66-A68 VanDerWaalsContact OG-N 3.16Å
69G91.5Very high96Very high40 Ų4039.4 Ų39.441%0.41224%0.238SC..  trans105.6124.8-172.400000111.1S66S66-G69 WeakPolarHBondContact CB-O 3.5Å; S66-G69 PolarHBondContact OG-N 2.89Å; S66-G69 PolarHBondContact OG-O 3.09Å
70A94.9Very high96Very high9 Ų940.8 Ų40.87%0.07425%0.245CC..  trans-81.7140.4177.900000111L118 G122 K123 V125A70-L118 HydrophobicContact CB-CD2 4.27Å; A70-L118 VanDerWaalsContact O-CD2 3.28Å; A70-L118 WeakPolarHBondContact O-CD2 3.48Å; A70-G122 PolarHBondContact N-O 2.69Å; A70-K123 VanDerWaalsContact CB-C 3.5Å; A70-K123 WeakPolarHBondContact CB-O 3.37Å; A70-V125 HydrophobicContact CB-CB 3.98Å; A70-V125 HydrophobicContact CB-CG1 4.01Å
71S94.1Very high96Very high77 Ų7741 Ų4154%0.53825%0.246SC..  trans-150.3146.3171.565.30000109.2Q64Q64-S71 PolarHBondContact NE2-O 3.44Å
72L94.8Very high96Very high10 Ų1040.7 Ų40.75%0.05224%0.244CC..  trans-150.4114.2173-164.180.3000106.6A62 Q64 E76 A77 V125 V127A62-L72 HydrophobicContact CB-CD2 3.58Å; Q64-L72 HydrophobicContact CB-CD1 4.45Å; L72-E76 HydrophobicContact CD1-CB 3.74Å; L72-E76 HydrophobicContact CG-CB 4.09Å; L72-A77 HydrophobicContact CD2-CB 3.52Å; L72-A77 HydrophobicContact CG-CB 4.03Å; L72-V125 HydrophobicContact CB-CG1 3.72Å; L72-V125 HydrophobicContact CB-CG2 4.44Å; L72-V127 HydrophobicContact CB-CG2 4.11Å; L72-V127 HydrophobicContact CD2-CB 4.25Å; L72-V127 HydrophobicContact CD2-CG2 3.75Å; L72-V127 HydrophobicContact CG-CG2 4.41Å
73N94.5Very high96Very high35 Ų3542.2 Ų42.219%0.18725%0.251CS..  trans-84.2174.7178.278.345.4000111.4E9 R75 E76 A77E9-N73 WeakPolarHBondContact OE2-CB 3.36Å; N73-R75 VanDerWaalsContact C-N 3.3Å; N73-R75 PolarHBondContact O-N 3.04Å; N73-R75 WeakPolarHBondContact OD1-CA 3.47Å; N73-R75 WeakPolarHBondContact OD1-CB 3.46Å; N73-R75 PolarHBondContact OD1-N 3.47Å; N73-E76 VanDerWaalsContact CG-OE2 3.24Å; N73-E76 PolarHBondContact N-OE2 2.83Å; N73-E76 VanDerWaalsContact ND2-CD 3.26Å; N73-E76 WeakPolarHBondContact ND2-CG 3.37Å; N73-E76 PolarHBondContact ND2-OE2 3.03Å; N73-E76 VanDerWaalsContact ND2-OE2 3.07Å; N73-E76 PolarHBondContact O-N 3.32Å; N73-E76 PolarHBondContact OD1-N 3.37Å; N73-A77 WeakPolarHBondContact O-CB 3.38Å; N73-A77 PolarHBondContact O-N 3.29Å
74G96.3Very high96Very high0 Ų039.9 Ų39.90%024%0.242CC..Hα-helixtrans-64.8-34.6-174.400000113.3E9 T78E9-G74 PolarHBondContact OE2-N 2.96Å; G74-T78 WeakPolarHBondContact O-CB 3.49Å; G74-T78 PolarHBondContact O-N 3.25Å; G74-T78 VanDerWaalsContact O-N 3.15Å; G74-T78 PolarHBondContact O-OG1 3.47Å
75R97.3Very high96.1Very high6 Ų638.2 Ų38.22%0.02324%0.235CC..Hα-helixtrans-73.2-42.8178-53.9-171.663.485.1-1.4111.2E9 A13 E16 N73 T78 R79 F158 K160E9-R75 HydrophobicContact CB-CG 4.01Å; E9-R75 HydrophobicContact CG-CG 4.45Å; A13-R75 HydrophobicContact CB-CB 4.25Å; A13-R75 HydrophobicContact CB-CG 4.15Å; E16-R75 IonicContact OE1-CZ 3.45Å; E16-R75 IonicContact OE1-NH1 3.34Å; E16-R75 PolarHBondContact OE1-NH1 3.07Å; E16-R75 IonicContact OE1-NH2 2.67Å; E16-R75 IonicContact OE2-CZ 2.89Å; E16-R75 IonicContact OE2-NH1 3.87Å; E16-R75 PolarHBondContact OE2-NH1 2.81Å; E16-R75 IonicContact OE2-NH2 3.57Å; E16-R75 PolarHBondContact OE2-NH2 2.89Å; N73-R75 VanDerWaalsContact C-N 3.3Å; N73-R75 PolarHBondContact O-N 3.04Å; N73-R75 WeakPolarHBondContact OD1-CA 3.47Å; N73-R75 WeakPolarHBondContact OD1-CB 3.46Å; N73-R75 PolarHBondContact OD1-N 3.47Å; R75-T78 PolarHBondContact O-N 2.97Å; R75-R79 VanDerWaalsContact O-CB 3.23Å; R75-R79 WeakPolarHBondContact O-CB 3.33Å; R75-R79 PolarHBondContact O-N 2.95Å; R75-F158 VanDerWaalsContact CZ-O 3.25Å; R75-F158 PolarHBondContact NE-O 2.96Å; R75-F158 PolarHBondContact NH2-O 2.94Å; R75-K160 PolarHBondContact NE-O 3.45Å
76E97.1Very high96Very high44 Ų4438.7 Ų38.721%0.20624%0.238CC..Hα-helixtrans-62.6-46.7177.4-69.7170.9139.700111.9L72 N73 R79 N80 I159L72-E76 HydrophobicContact CD1-CB 3.74Å; L72-E76 HydrophobicContact CG-CB 4.09Å; N73-E76 VanDerWaalsContact CG-OE2 3.24Å; N73-E76 PolarHBondContact N-OE2 2.83Å; N73-E76 VanDerWaalsContact ND2-CD 3.26Å; N73-E76 WeakPolarHBondContact ND2-CG 3.37Å; N73-E76 PolarHBondContact ND2-OE2 3.03Å; N73-E76 VanDerWaalsContact ND2-OE2 3.07Å; N73-E76 PolarHBondContact O-N 3.32Å; N73-E76 PolarHBondContact OD1-N 3.37Å; E76-R79 PolarHBondContact O-N 3.45Å; E76-N80 PolarHBondContact O-N 3.08Å; E76-N80 PolarHBondContact O-OD1 2.93Å; E76-I159 HydrophobicContact CG-CB 4.18Å; E76-I159 HydrophobicContact CG-CG2 4.27Å
77A97.7Very high96Very high1 Ų143.4 Ų43.41%0.00826%0.257CS..Hα-helixtrans-60.4-48.2176.600000111.6A62 L72 N73 R79 N80 W81 V127A62-A77 HydrophobicContact CB-CB 4.33Å; L72-A77 HydrophobicContact CD2-CB 3.52Å; L72-A77 HydrophobicContact CG-CB 4.03Å; N73-A77 WeakPolarHBondContact O-CB 3.38Å; N73-A77 PolarHBondContact O-N 3.29Å; A77-R79 VanDerWaalsContact C-N 3.3Å; A77-R79 PolarHBondContact O-N 3.32Å; A77-N80 WeakPolarHBondContact O-CB 3.38Å; A77-N80 PolarHBondContact O-N 2.87Å; A77-W81 HydrophobicContact CB-CH2 4.34Å; A77-W81 PolarHBondContact O-N 3.14Å; A77-V127 HydrophobicContact CB-CB 4.33Å; A77-V127 HydrophobicContact CB-CG1 3.91Å
78T98.4Very high96.2Very high0 Ų037.6 Ų37.60%022%0.22CC..Hα-helixtrans-60.4-42.7177.5-56.60000111.4A13 H14 L17 G74 R75 W81 Y82 V104A13-T78 HydrophobicContact CB-CG2 3.83Å; H14-T78 VanDerWaalsContact CE1-CG2 3.46Å; H14-T78 WeakPolarHBondContact CE1-CG2 3.45Å; H14-T78 PolarHBondContact CE1-OG1 2.95Å; H14-T78 VanDerWaalsContact ND1-CG2 3.28Å; H14-T78 WeakPolarHBondContact ND1-CG2 3.38Å; H14-T78 PolarHBondContact ND1-OG1 3.29Å; H14-T78 VanDerWaalsContact ND1-OG1 3.13Å; L17-T78 HydrophobicContact CD1-CG2 3.72Å; G74-T78 WeakPolarHBondContact O-CB 3.49Å; G74-T78 PolarHBondContact O-N 3.25Å; G74-T78 VanDerWaalsContact O-N 3.15Å; G74-T78 PolarHBondContact O-OG1 3.47Å; R75-T78 PolarHBondContact O-N 2.97Å; T78-W81 PolarHBondContact O-N 3.13Å; T78-Y82 WeakPolarHBondContact O-CB 3.46Å; T78-Y82 PolarHBondContact O-N 3.34Å; T78-V104 HydrophobicContact CG2-CG1 4.43Å
79R97.8Very high96.4Very high20 Ų2036.9 Ų36.98%0.07520%0.203CC..Hα-helixtrans-66.6-39.7179.6-174.358.6-170.8-119.16112R75 E76 A77 W81 Y82 D83 P153 R155 F158 I159R75-R79 VanDerWaalsContact O-CB 3.23Å; R75-R79 WeakPolarHBondContact O-CB 3.33Å; R75-R79 PolarHBondContact O-N 2.95Å; E76-R79 PolarHBondContact O-N 3.45Å; A77-R79 VanDerWaalsContact C-N 3.3Å; A77-R79 PolarHBondContact O-N 3.32Å; R79-W81 VanDerWaalsContact C-N 3.29Å; R79-W81 PolarHBondContact O-N 3.28Å; R79-Y82 PolarHBondContact O-N 3.39Å; R79-D83 IonicContact CZ-OD1 3.67Å; R79-D83 IonicContact NE-OD1 3.53Å; R79-D83 PolarHBondContact NE-OD1 2.97Å; R79-D83 IonicContact NE-OD2 3.4Å; R79-D83 IonicContact NH2-OD1 2.89Å; R79-D83 PolarHBondContact NH2-OD1 3.21Å; R79-D83 WeakPolarHBondContact O-CB 3.42Å; R79-D83 VanDerWaalsContact O-CG 3.26Å; R79-D83 PolarHBondContact O-N 2.9Å; R79-P153 PolarHBondContact NH1-O 3.17Å; R79-P153 PolarHBondContact NH2-O 3.35Å; R79-R155 HydrophobicContact CG-CG 4.08Å; R79-F158 HydrophobicContact CB-CD1 3.91Å; R79-F158 HydrophobicContact CB-CE1 4.03Å; R79-F158 HydrophobicContact CG-CD1 4Å; R79-F158 VanDerWaalsContact NH1-CB 3.32Å; R79-I159 HydrophobicContact CB-CG2 4Å; R79-I159 HydrophobicContact CG-CG2 4.05Å
80N97.6Very high96.6Very high50 Ų5037.6 Ų37.627%0.26719%0.194SC..Hα-helixtrans-56.8-43.3173.6-71.1-5.1000112E76 A77 R155E76-N80 PolarHBondContact O-N 3.08Å; E76-N80 PolarHBondContact O-OD1 2.93Å; A77-N80 WeakPolarHBondContact O-CB 3.38Å; A77-N80 PolarHBondContact O-N 2.87Å; N80-R155 VanDerWaalsContact OD1-CZ 3.24Å; N80-R155 PolarHBondContact OD1-NH1 2.89Å; N80-R155 PolarHBondContact OD1-NH2 3.23Å
81W98.4Very high96.6Very high5 Ų543.5 Ų43.52%0.01923%0.225CC..Hα-helixtrans-66.5-43.2175.9-63.6-33.4000112.4H14 N60 L61 A62 A77 T78 R79 H100 F101 V104 F114 V127 Y131H14-W81 AromaticContact CE1-CZ3 3.86Å; N60-W81 HydrophobicContact CB-CD2 3.73Å; N60-W81 VanDerWaalsContact CB-CE2 3.5Å; N60-W81 HydrophobicContact CB-CE3 4.12Å; N60-W81 HydrophobicContact CB-CG 4.19Å; N60-W81 HydrophobicContact CB-CH2 4.16Å; N60-W81 HydrophobicContact CB-CZ2 3.73Å; N60-W81 HydrophobicContact CB-CZ3 4.34Å; L61-W81 VanDerWaalsContact C-NE1 3.26Å; L61-W81 PolarHBondContact O-NE1 2.79Å; A62-W81 HydrophobicContact CB-CZ2 3.91Å; A77-W81 HydrophobicContact CB-CH2 4.34Å; A77-W81 PolarHBondContact O-N 3.14Å; T78-W81 PolarHBondContact O-N 3.13Å; R79-W81 VanDerWaalsContact C-N 3.29Å; R79-W81 PolarHBondContact O-N 3.28Å; W81-H100 HydrophobicContact CB-CB 3.66Å; W81-H100 AromaticContact CD1-CD2 3.96Å; W81-H100 AromaticContact CD1-CG 3.63Å; W81-H100 HydrophobicContact CG-CB 3.79Å; W81-F101 VanDerWaalsContact O-CA 3.29Å; W81-F101 WeakPolarHBondContact O-CA 3.33Å; W81-F101 WeakPolarHBondContact O-CB 3.35Å; W81-F101 PolarHBondContact O-N 2.97Å; W81-F101 VanDerWaalsContact O-N 3.14Å; W81-V104 HydrophobicContact CB-CG2 3.73Å; W81-V104 HydrophobicContact CE3-CG2 4.28Å; W81-F114 HydrophobicContact CH2-CD1 4.11Å; W81-F114 HydrophobicContact CH2-CE1 4.22Å; W81-F114 HydrophobicContact CZ3-CD1 4.09Å; W81-F114 AromaticContact CZ3-CE1 3.77Å; W81-F114 HydrophobicContact CZ3-CE1 3.77Å; W81-V127 HydrophobicContact CH2-CG1 4.21Å; W81-V127 HydrophobicContact CZ2-CG1 4.45Å; W81-Y131 WeakPolarHBondContact CZ3-OH 3.36Å
82Y98.5Very high96.5Very high4 Ų441 Ų412%0.01621%0.211CC..Hα-helixtrans-69.3-33.4-177.8-175.8-90.2000113.5L17 H21 T78 R79 E84 I85 F101 V104 I105 A152L17-Y82 HydrophobicContact CB-CD2 3.86Å; L17-Y82 HydrophobicContact CB-CE2 3.88Å; L17-Y82 HydrophobicContact CD1-CD1 4.4Å; L17-Y82 HydrophobicContact CD1-CD2 3.84Å; L17-Y82 HydrophobicContact CD1-CG 3.73Å; L17-Y82 HydrophobicContact CD2-CD1 3.82Å; L17-Y82 HydrophobicContact CD2-CD2 3.98Å; L17-Y82 HydrophobicContact CD2-CE1 3.83Å; L17-Y82 HydrophobicContact CD2-CE2 3.97Å; L17-Y82 HydrophobicContact CD2-CG 3.89Å; L17-Y82 HydrophobicContact CG-CD2 4.1Å; L17-Y82 HydrophobicContact CG-CE2 4.34Å; L17-Y82 HydrophobicContact CG-CG 4.25Å; H21-Y82 AromaticContact CD2-CE2 3.95Å; H21-Y82 AromaticContact NE2-CE2 3.46Å; H21-Y82 WeakPolarHBondContact NE2-CE2 3.41Å; H21-Y82 AromaticContact NE2-CZ 3.59Å; H21-Y82 PolarHBondContact NE2-OH 3.11Å; T78-Y82 WeakPolarHBondContact O-CB 3.46Å; T78-Y82 PolarHBondContact O-N 3.34Å; R79-Y82 PolarHBondContact O-N 3.39Å; Y82-E84 PolarHBondContact O-N 2.71Å; Y82-I85 HydrophobicContact CD1-CG2 4.27Å; Y82-I85 HydrophobicContact CE1-CD1 4.31Å; Y82-I85 HydrophobicContact CE1-CG2 4.02Å; Y82-I85 WeakPolarHBondContact O-CB 3.5Å; Y82-I85 VanDerWaalsContact O-CG2 3.25Å; Y82-I85 WeakPolarHBondContact O-CG2 3.28Å; Y82-I85 PolarHBondContact O-N 3.02Å; Y82-F101 AromaticContact CD2-CD2 3.81Å; Y82-F101 HydrophobicContact CD2-CD2 3.81Å; Y82-F101 HydrophobicContact CD2-CE2 4.01Å; Y82-F101 HydrophobicContact CE2-CD2 4.06Å; Y82-F101 AromaticContact CE2-CE2 3.76Å; Y82-F101 HydrophobicContact CE2-CE2 3.76Å; Y82-F101 HydrophobicContact CG-CD2 4.34Å; Y82-V104 HydrophobicContact CD2-CG1 4.33Å; Y82-I105 HydrophobicContact CD2-CG2 4.19Å; Y82-I105 HydrophobicContact CE2-CG2 3.95Å; Y82-A152 HydrophobicContact CE1-CB 3.72Å
83D97.5Very high96.3Very high39 Ų3944.5 Ų44.521%0.20923%0.227CC..G310 helixtrans-61.7-13.8-178.3-77.4-26.1000113.1R79 I85 I86 R155R79-D83 IonicContact CZ-OD1 3.67Å; R79-D83 IonicContact NE-OD1 3.53Å; R79-D83 PolarHBondContact NE-OD1 2.97Å; R79-D83 IonicContact NE-OD2 3.4Å; R79-D83 IonicContact NH2-OD1 2.89Å; R79-D83 PolarHBondContact NH2-OD1 3.21Å; R79-D83 WeakPolarHBondContact O-CB 3.42Å; R79-D83 VanDerWaalsContact O-CG 3.26Å; R79-D83 PolarHBondContact O-N 2.9Å; D83-I85 PolarHBondContact O-N 3.3Å; D83-I85 VanDerWaalsContact O-N 3.15Å; D83-I86 VanDerWaalsContact O-CG1 3.3Å; D83-I86 WeakPolarHBondContact O-CG1 3.12Å; D83-I86 WeakPolarHBondContact O-CG2 3.25Å; D83-I86 PolarHBondContact O-N 2.86Å; D83-R155 IonicContact OD2-CZ 2.71Å; D83-R155 IonicContact OD2-NH1 3.22Å; D83-R155 PolarHBondContact OD2-NH1 2.95Å
84E97.7Very high96.2Very high30 Ų3047.1 Ų47.114%0.1424%0.241CC..G310 helixtrans-60.3-17.2168.4-65.4-178.4168.100113.6Y82 I86 Q87 G97 T98 G99 H100 F101Y82-E84 PolarHBondContact O-N 2.71Å; E84-I86 PolarHBondContact O-N 3.15Å; E84-Q87 PolarHBondContact O-N 2.96Å; E84-G97 WeakPolarHBondContact CB-O 3.27Å; E84-G97 WeakPolarHBondContact CG-O 3.16Å; E84-T98 VanDerWaalsContact OE2-CA 3.23Å; E84-T98 WeakPolarHBondContact OE2-CA 3.5Å; E84-G99 PolarHBondContact OE2-N 3.31Å; E84-H100 IonicContact OE1-CE1 3.49Å; E84-H100 IonicContact OE1-CG 2.57Å; E84-H100 IonicContact OE1-ND1 3.06Å; E84-H100 PolarHBondContact OE1-ND1 3.43Å; E84-H100 WeakPolarHBondContact OE2-CA 3.46Å; E84-H100 VanDerWaalsContact OE2-CB 3.3Å; E84-H100 WeakPolarHBondContact OE2-CB 3.22Å; E84-H100 IonicContact OE2-CG 3Å; E84-H100 PolarHBondContact OE2-N 3.44Å; E84-H100 IonicContact OE2-ND1 2.75Å; E84-F101 HydrophobicContact CB-CB 3.7Å; E84-F101 PolarHBondContact OE2-N 3.05Å
85I97Very high96.1Very high34 Ų3448.8 Ų48.817%0.17425%0.249CC..G310 helixtrans-50.3-30.8173.1-168.2173.7000112.7Y82 D83 Q87 H88 F90 F101 P148Y82-I85 HydrophobicContact CD1-CG2 4.27Å; Y82-I85 HydrophobicContact CE1-CD1 4.31Å; Y82-I85 HydrophobicContact CE1-CG2 4.02Å; Y82-I85 WeakPolarHBondContact O-CB 3.5Å; Y82-I85 VanDerWaalsContact O-CG2 3.25Å; Y82-I85 WeakPolarHBondContact O-CG2 3.28Å; Y82-I85 PolarHBondContact O-N 3.02Å; D83-I85 PolarHBondContact O-N 3.3Å; D83-I85 VanDerWaalsContact O-N 3.15Å; I85-Q87 PolarHBondContact O-N 2.82Å; I85-Q87 VanDerWaalsContact O-N 3.16Å; I85-H88 PolarHBondContact O-N 3.42Å; I85-H88 VanDerWaalsContact O-N 3.11Å; I85-F90 HydrophobicContact CD1-CZ 4.19Å; I85-F90 HydrophobicContact CG1-CE2 4.44Å; I85-F90 HydrophobicContact CG1-CZ 4.1Å; I85-F101 HydrophobicContact CB-CD1 4.46Å; I85-F101 HydrophobicContact CB-CD2 3.76Å; I85-F101 HydrophobicContact CB-CE1 4.42Å; I85-F101 HydrophobicContact CB-CE2 3.71Å; I85-F101 HydrophobicContact CB-CG 4.15Å; I85-F101 HydrophobicContact CB-CZ 4.04Å; I85-F101 HydrophobicContact CD1-CE2 3.7Å; I85-F101 HydrophobicContact CD1-CZ 3.84Å; I85-F101 HydrophobicContact CG1-CD2 4.3Å; I85-F101 HydrophobicContact CG1-CE1 4.22Å; I85-F101 HydrophobicContact CG1-CE2 3.73Å; I85-F101 HydrophobicContact CG1-CZ 3.67Å; I85-P148 HydrophobicContact CD1-CG 4.26Å
86I95.8Very high95.9Very high140 Ų14054.4 Ų54.472%0.71829%0.286SS*.G310 helixtrans-63-21.2-179.873-171.1000113D83 E84D83-I86 VanDerWaalsContact O-CG1 3.3Å; D83-I86 WeakPolarHBondContact O-CG1 3.12Å; D83-I86 WeakPolarHBondContact O-CG2 3.25Å; D83-I86 PolarHBondContact O-N 2.86Å; E84-I86 PolarHBondContact O-N 3.15Å
87Q95.4Very high95.8Very high132 Ų13254.3 Ų54.362%0.61730%0.297SS*.G310 helixtrans-105.4-4.4179-68.11758100112.7E84 I85 T98E84-Q87 PolarHBondContact O-N 2.96Å; I85-Q87 PolarHBondContact O-N 2.82Å; I85-Q87 VanDerWaalsContact O-N 3.16Å; Q87-T98 HydrophobicContact CB-CG2 4.43Å
88H96.7Very high95.8Very high15 Ų1554.3 Ų54.37%0.06930%0.297CS..  trans-87.7121.5-170.1-171.573000112.9I85 F90 T98 F101 T102 V145I85-H88 PolarHBondContact O-N 3.42Å; I85-H88 VanDerWaalsContact O-N 3.11Å; H88-F90 AromaticContact CD2-CD1 3.86Å; H88-F90 AromaticContact CD2-CE1 3.91Å; H88-F90 AromaticContact CD2-CG 3.99Å; H88-T98 HydrophobicContact CB-CG2 3.89Å; H88-T98 WeakPolarHBondContact ND1-CB 3.3Å; H88-T98 PolarHBondContact ND1-OG1 2.75Å; H88-T98 VanDerWaalsContact ND1-OG1 3.07Å; H88-F101 HydrophobicContact CB-CD1 4.11Å; H88-F101 HydrophobicContact CB-CE1 4.08Å; H88-F101 AromaticContact CD2-CE1 3.62Å; H88-F101 AromaticContact CG-CD1 3.97Å; H88-F101 AromaticContact CG-CE1 3.76Å; H88-T102 VanDerWaalsContact CE1-CG2 3.45Å; H88-T102 WeakPolarHBondContact CE1-CG2 3.45Å; H88-V145 WeakPolarHBondContact NE2-CG1 3.5Å
89D96.3Very high95.8Very high84 Ų8455.4 Ų55.445%0.44931%0.308SS..  trans-86.8110.8167.8-179.33.6000110.4N91 G92 Q95D89-N91 PolarHBondContact O-N 2.93Å; D89-N91 PolarHBondContact OD1-N 2.84Å; D89-N91 PolarHBondContact OD1-ND2 2.89Å; D89-G92 PolarHBondContact O-N 2.82Å; D89-Q95 PolarHBondContact O-NE2 3.23Å
90F95.5Very high95.8Very high55 Ų5556.6 Ų56.624%0.24131%0.314CS..THydrogen-bonded Turntrans-66.3-2.9-179.7-71.1-86.8000115I85 H88 F101 V145 K147I85-F90 HydrophobicContact CD1-CZ 4.19Å; I85-F90 HydrophobicContact CG1-CE2 4.44Å; I85-F90 HydrophobicContact CG1-CZ 4.1Å; H88-F90 AromaticContact CD2-CD1 3.86Å; H88-F90 AromaticContact CD2-CE1 3.91Å; H88-F90 AromaticContact CD2-CG 3.99Å; F90-F101 HydrophobicContact CE1-CE1 4.34Å; F90-F101 HydrophobicContact CE1-CZ 4.13Å; F90-F101 HydrophobicContact CZ-CE1 4.32Å; F90-F101 AromaticContact CZ-CZ 4Å; F90-F101 HydrophobicContact CZ-CZ 4Å; F90-V145 HydrophobicContact CD1-CG1 4.33Å; F90-V145 HydrophobicContact CE1-CG1 4.31Å; F90-K147 HydrophobicContact CB-CD 4.23Å; F90-K147 HydrophobicContact CB-CG 3.76Å; F90-K147 HydrophobicContact CD1-CB 4.36Å; F90-K147 HydrophobicContact CD1-CG 3.61Å; F90-K147 HydrophobicContact CD2-CG 4.03Å; F90-K147 HydrophobicContact CE1-CG 4.19Å; F90-K147 HydrophobicContact CG-CD 4.4Å; F90-K147 HydrophobicContact CG-CG 3.52Å
91N93.7Very high95.8Very high132 Ų13254.2 Ų54.271%0.70630%0.302SS*.THydrogen-bonded Turntrans-98.2-5.4171.9-46.2-65.4000112.8D89D89-N91 PolarHBondContact O-N 2.93Å; D89-N91 PolarHBondContact OD1-N 2.84Å; D89-N91 PolarHBondContact OD1-ND2 2.89Å
92G91.6Very high95.8Very high24 Ų2454 Ų5425%0.24730%0.301CS..  trans-101172179.500000113.3D89D89-G92 PolarHBondContact O-N 2.82Å
93Q91.8Very high95.8Very high85 Ų8553.9 Ų53.940%0.39730%0.3SS..SBendtrans-125.5150.5173.9-55.8-165.910.800110.4Q95 Y141Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 2.98Å; Q93-Q95 VanDerWaalsContact O-N 3.12Å; Q93-Y141 HydrophobicContact CB-CD2 3.9Å; Q93-Y141 HydrophobicContact CB-CE2 4.42Å; Q93-Y141 HydrophobicContact CB-CG 4.09Å; Q93-Y141 HydrophobicContact CG-CD2 4.26Å; Q93-Y141 HydrophobicContact CG-CG 4.23Å
94N92.2Very high95.9Very high90 Ų9052 Ų5248%0.48129%0.291SS..SBendtrans4448.9170.6-16529.6000115.1Y141N94-Y141 WeakPolarHBondContact CA-OH 3.22Å; N94-Y141 HydrophobicContact CB-CE2 4.05Å; N94-Y141 VanDerWaalsContact N-CZ 3.29Å
95Q93.7Very high95.9Very high35 Ų3550.6 Ų50.616%0.16428%0.284CS..  trans-75.8138.9-175.4-68.3158.254.700111.5D89 Q93 G97 T98D89-Q95 PolarHBondContact O-NE2 3.23Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 2.98Å; Q93-Q95 VanDerWaalsContact O-N 3.12Å; Q95-G97 PolarHBondContact O-N 3.22Å; Q95-T98 HydrophobicContact CB-CG2 3.96Å; Q95-T98 PolarHBondContact O-N 2.9Å; Q95-T98 PolarHBondContact O-OG1 2.85Å
96P93.9Very high96Very high123 Ų12349.1 Ų49.180%0.79928%0.276SS*.THydrogen-bonded Turntrans-55.4134.1172-24.434000111.4T98P96-T98 VanDerWaalsContact C-N 3.3Å; P96-T98 PolarHBondContact O-N 2.92Å
97G95.2Very high96.1Very high43 Ų4347.2 Ų47.244%0.44326%0.263SS..THydrogen-bonded Turntrans7610.7176.800000115.6E84 Q95E84-G97 WeakPolarHBondContact CB-O 3.27Å; E84-G97 WeakPolarHBondContact CG-O 3.16Å; Q95-G97 PolarHBondContact O-N 3.22Å
98T97.2Very high96.3Very high1 Ų144 Ų441%0.00626%0.255CS..  trans-122.7417581.40000113.6E84 Q87 H88 Q95 P96 H100 F101 T102E84-T98 VanDerWaalsContact OE2-CA 3.23Å; E84-T98 WeakPolarHBondContact OE2-CA 3.5Å; Q87-T98 HydrophobicContact CB-CG2 4.43Å; H88-T98 HydrophobicContact CB-CG2 3.89Å; H88-T98 WeakPolarHBondContact ND1-CB 3.3Å; H88-T98 PolarHBondContact ND1-OG1 2.75Å; H88-T98 VanDerWaalsContact ND1-OG1 3.07Å; Q95-T98 HydrophobicContact CB-CG2 3.96Å; Q95-T98 PolarHBondContact O-N 2.9Å; Q95-T98 PolarHBondContact O-OG1 2.85Å; P96-T98 VanDerWaalsContact C-N 3.3Å; P96-T98 PolarHBondContact O-N 2.92Å; T98-H100 VanDerWaalsContact C-N 3.32Å; T98-H100 PolarHBondContact O-N 3.44Å; T98-F101 PolarHBondContact O-N 3.33Å; T98-T102 WeakPolarHBondContact O-CG2 3.3Å; T98-T102 PolarHBondContact O-N 3.49Å; T98-T102 PolarHBondContact O-OG1 2.66Å
99G97.5Very high96.4Very high22 Ų2243.4 Ų43.423%0.22725%0.252CS..Hα-helixtrans-64.3-34.9-174.600000112.9E84 T102 Q103 N136E84-G99 PolarHBondContact OE2-N 3.31Å; G99-T102 WeakPolarHBondContact CA-OG1 3.25Å; G99-T102 PolarHBondContact O-OG1 3.03Å; G99-Q103 WeakPolarHBondContact O-CB 3.48Å; G99-Q103 PolarHBondContact O-N 2.96Å; G99-Q103 VanDerWaalsContact O-N 3.15Å; G99-N136 PolarHBondContact O-ND2 3.38Å
100H98.3Very high96.5Very high46 Ų4643.8 Ų43.821%0.21325%0.253CS..Hα-helixtrans-72.5-45.5179.3-56.5123.2000111N60 W81 E84 T98 T102 Q103 V104N60-H100 PolarHBondContact ND2-O 2.88Å; N60-H100 WeakPolarHBondContact OD1-CA 3.33Å; N60-H100 PolarHBondContact OD1-CD2 2.92Å; W81-H100 HydrophobicContact CB-CB 3.66Å; W81-H100 AromaticContact CD1-CD2 3.96Å; W81-H100 AromaticContact CD1-CG 3.63Å; W81-H100 HydrophobicContact CG-CB 3.79Å; E84-H100 IonicContact OE1-CE1 3.49Å; E84-H100 IonicContact OE1-CG 2.57Å; E84-H100 IonicContact OE1-ND1 3.06Å; E84-H100 PolarHBondContact OE1-ND1 3.43Å; E84-H100 WeakPolarHBondContact OE2-CA 3.46Å; E84-H100 VanDerWaalsContact OE2-CB 3.3Å; E84-H100 WeakPolarHBondContact OE2-CB 3.22Å; E84-H100 IonicContact OE2-CG 3Å; E84-H100 PolarHBondContact OE2-N 3.44Å; E84-H100 IonicContact OE2-ND1 2.75Å; T98-H100 VanDerWaalsContact C-N 3.32Å; T98-H100 PolarHBondContact O-N 3.44Å; H100-T102 PolarHBondContact O-N 3.5Å; H100-Q103 PolarHBondContact O-N 3.49Å; H100-V104 WeakPolarHBondContact O-CG2 3.41Å; H100-V104 PolarHBondContact O-N 3.46Å
101F98.5Very high96.6Very high0 Ų044.9 Ų44.90%026%0.258CS..Hα-helixtrans-56.5-51.7175.7157.4-106.5000111.2H21 W81 Y82 E84 I85 H88 F90 T98 Q103 V104 I105 V145H21-F101 AromaticContact CE1-CE2 3.85Å; H21-F101 AromaticContact CE1-CZ 3.72Å; H21-F101 AromaticContact NE2-CE2 3.84Å; W81-F101 VanDerWaalsContact O-CA 3.29Å; W81-F101 WeakPolarHBondContact O-CA 3.33Å; W81-F101 WeakPolarHBondContact O-CB 3.35Å; W81-F101 PolarHBondContact O-N 2.97Å; W81-F101 VanDerWaalsContact O-N 3.14Å; Y82-F101 AromaticContact CD2-CD2 3.81Å; Y82-F101 HydrophobicContact CD2-CD2 3.81Å; Y82-F101 HydrophobicContact CD2-CE2 4.01Å; Y82-F101 HydrophobicContact CE2-CD2 4.06Å; Y82-F101 AromaticContact CE2-CE2 3.76Å; Y82-F101 HydrophobicContact CE2-CE2 3.76Å; Y82-F101 HydrophobicContact CG-CD2 4.34Å; E84-F101 HydrophobicContact CB-CB 3.7Å; E84-F101 PolarHBondContact OE2-N 3.05Å; I85-F101 HydrophobicContact CB-CD1 4.46Å; I85-F101 HydrophobicContact CB-CD2 3.76Å; I85-F101 HydrophobicContact CB-CE1 4.42Å; I85-F101 HydrophobicContact CB-CE2 3.71Å; I85-F101 HydrophobicContact CB-CG 4.15Å; I85-F101 HydrophobicContact CB-CZ 4.04Å; I85-F101 HydrophobicContact CD1-CE2 3.7Å; I85-F101 HydrophobicContact CD1-CZ 3.84Å; I85-F101 HydrophobicContact CG1-CD2 4.3Å; I85-F101 HydrophobicContact CG1-CE1 4.22Å; I85-F101 HydrophobicContact CG1-CE2 3.73Å; I85-F101 HydrophobicContact CG1-CZ 3.67Å; H88-F101 HydrophobicContact CB-CD1 4.11Å; H88-F101 HydrophobicContact CB-CE1 4.08Å; H88-F101 AromaticContact CD2-CE1 3.62Å; H88-F101 AromaticContact CG-CD1 3.97Å; H88-F101 AromaticContact CG-CE1 3.76Å; F90-F101 HydrophobicContact CE1-CE1 4.34Å; F90-F101 HydrophobicContact CE1-CZ 4.13Å; F90-F101 HydrophobicContact CZ-CE1 4.32Å; F90-F101 AromaticContact CZ-CZ 4Å; F90-F101 HydrophobicContact CZ-CZ 4Å; T98-F101 PolarHBondContact O-N 3.33Å; F101-Q103 VanDerWaalsContact C-N 3.26Å; F101-Q103 PolarHBondContact O-N 3.1Å; F101-V104 WeakPolarHBondContact O-CB 3.23Å; F101-V104 PolarHBondContact O-N 2.94Å; F101-I105 HydrophobicContact CD2-CG1 4.36Å; F101-I105 HydrophobicContact CE1-CD1 3.89Å; F101-I105 HydrophobicContact CE1-CG1 4.4Å; F101-I105 HydrophobicContact CE2-CD1 3.69Å; F101-I105 HydrophobicContact CE2-CG1 3.9Å; F101-I105 HydrophobicContact CE2-CG2 4.15Å; F101-I105 HydrophobicContact CZ-CD1 3.3Å; F101-I105 HydrophobicContact CZ-CG1 3.93Å; F101-I105 WeakPolarHBondContact O-CG1 3.37Å; F101-I105 PolarHBondContact O-N 2.89Å; F101-V145 HydrophobicContact CE1-CG1 4.29Å
102T98.4Very high96.9Very high0 Ų038.6 Ų38.60%022%0.224CC..Hα-helixtrans-62.2-34.8-177.146.30000112.2H88 T98 G99 H100 W106 N136 Y141 V145H88-T102 VanDerWaalsContact CE1-CG2 3.45Å; H88-T102 WeakPolarHBondContact CE1-CG2 3.45Å; T98-T102 WeakPolarHBondContact O-CG2 3.3Å; T98-T102 PolarHBondContact O-N 3.49Å; T98-T102 PolarHBondContact O-OG1 2.66Å; G99-T102 WeakPolarHBondContact CA-OG1 3.25Å; G99-T102 PolarHBondContact O-OG1 3.03Å; H100-T102 PolarHBondContact O-N 3.5Å; T102-W106 WeakPolarHBondContact O-CA 3.23Å; T102-W106 WeakPolarHBondContact O-CB 3.24Å; T102-W106 PolarHBondContact O-N 2.86Å; T102-N136 WeakPolarHBondContact CB-OD1 3.5Å; T102-N136 PolarHBondContact OG1-OD1 2.85Å; T102-Y141 HydrophobicContact CG2-CD1 4.41Å; T102-Y141 HydrophobicContact CG2-CE1 3.95Å; T102-V145 HydrophobicContact CG2-CG1 3.83Å; T102-V145 HydrophobicContact CG2-CG2 3.93Å
103Q98.6Very high97.2Very high1 Ų137.4 Ų37.41%0.00521%0.212CC..Hα-helixtrans-67.1-41.6171.5178.759.888.800113.4N60 G99 H100 F101 I105 W106 T109 Y131 N136N60-Q103 WeakPolarHBondContact OD1-CB 3.34Å; G99-Q103 WeakPolarHBondContact O-CB 3.48Å; G99-Q103 PolarHBondContact O-N 2.96Å; G99-Q103 VanDerWaalsContact O-N 3.15Å; H100-Q103 PolarHBondContact O-N 3.49Å; F101-Q103 VanDerWaalsContact C-N 3.26Å; F101-Q103 PolarHBondContact O-N 3.1Å; Q103-I105 VanDerWaalsContact C-N 3.27Å; Q103-I105 PolarHBondContact O-N 3.33Å; Q103-W106 PolarHBondContact O-N 3.48Å; Q103-T109 PolarHBondContact NE2-OG1 3.18Å; Q103-T109 VanDerWaalsContact NE2-OG1 3.14Å; Q103-Y131 VanDerWaalsContact CD-CG 3.48Å; Q103-Y131 HydrophobicContact CG-CD1 4.11Å; Q103-Y131 HydrophobicContact CG-CD2 3.28Å; Q103-Y131 HydrophobicContact CG-CE1 4.24Å; Q103-Y131 HydrophobicContact CG-CE2 3.45Å; Q103-Y131 VanDerWaalsContact CG-CE2 3.45Å; Q103-Y131 HydrophobicContact CG-CG 3.64Å; Q103-N136 PolarHBondContact N-OD1 2.98Å
104V98.8Very high97.5Very high1 Ų133.4 Ų33.41%0.00619%0.194CC..Hα-helixtrans-55.4-45.9177.61680000110.6R18 T78 W81 Y82 H100 F101R18-V104 WeakPolarHBondContact CD-O 3.42Å; R18-V104 WeakPolarHBondContact CG-O 3.36Å; R18-V104 PolarHBondContact NH1-O 3.13Å; R18-V104 VanDerWaalsContact NH1-O 3.13Å; T78-V104 HydrophobicContact CG2-CG1 4.43Å; W81-V104 HydrophobicContact CB-CG2 3.73Å; W81-V104 HydrophobicContact CE3-CG2 4.28Å; Y82-V104 HydrophobicContact CD2-CG1 4.33Å; H100-V104 WeakPolarHBondContact O-CG2 3.41Å; H100-V104 PolarHBondContact O-N 3.46Å; F101-V104 WeakPolarHBondContact O-CB 3.23Å; F101-V104 PolarHBondContact O-N 2.94Å
105I98.6Very high97.8Very high0 Ų029.1 Ų29.10%017%0.171CC..Hα-helixtrans-963.5-17661.8148.6000114.6C23 Y82 F101 Q103 K107 V145C23-I105 PolarHBondContact SG-O 2.84Å; Y82-I105 HydrophobicContact CD2-CG2 4.19Å; Y82-I105 HydrophobicContact CE2-CG2 3.95Å; F101-I105 HydrophobicContact CD2-CG1 4.36Å; F101-I105 HydrophobicContact CE1-CD1 3.89Å; F101-I105 HydrophobicContact CE1-CG1 4.4Å; F101-I105 HydrophobicContact CE2-CD1 3.69Å; F101-I105 HydrophobicContact CE2-CG1 3.9Å; F101-I105 HydrophobicContact CE2-CG2 4.15Å; F101-I105 HydrophobicContact CZ-CD1 3.3Å; F101-I105 HydrophobicContact CZ-CG1 3.93Å; F101-I105 WeakPolarHBondContact O-CG1 3.37Å; F101-I105 PolarHBondContact O-N 2.89Å; Q103-I105 VanDerWaalsContact C-N 3.27Å; Q103-I105 PolarHBondContact O-N 3.33Å; I105-K107 PolarHBondContact O-N 2.68Å; I105-V145 HydrophobicContact CD1-CB 4.49Å; I105-V145 HydrophobicContact CD1-CG1 3.9Å
106W98.6Very high98Very high3 Ų329.1 Ų29.11%0.01117%0.174CC..  trans-57.1110.5-175.4-164.7-95.9000111.5R18 T102 Q103 S108 T109 G135 N136 I137 L140 Y141 N144 V145R18-W106 PolarHBondContact NH1-O 3.46Å; R18-W106 PolarHBondContact NH2-O 2.97Å; T102-W106 WeakPolarHBondContact O-CA 3.23Å; T102-W106 WeakPolarHBondContact O-CB 3.24Å; T102-W106 PolarHBondContact O-N 2.86Å; Q103-W106 PolarHBondContact O-N 3.48Å; W106-S108 VanDerWaalsContact C-N 3.31Å; W106-S108 PolarHBondContact O-N 3.44Å; W106-T109 WeakPolarHBondContact O-CB 3.37Å; W106-T109 PolarHBondContact O-N 3.45Å; W106-G135 VanDerWaalsContact CD2-CA 3.45Å; W106-G135 VanDerWaalsContact CG-CA 3.45Å; W106-N136 VanDerWaalsContact CE3-N 3.35Å; W106-N136 VanDerWaalsContact CZ3-N 3.33Å; W106-I137 HydrophobicContact CZ2-CB 4.27Å; W106-L140 HydrophobicContact CH2-CB 4.14Å; W106-L140 HydrophobicContact CZ2-CB 3.77Å; W106-Y141 AromaticContact CH2-CD2 3.99Å; W106-Y141 HydrophobicContact CH2-CD2 3.99Å; W106-Y141 HydrophobicContact CH2-CE2 4.12Å; W106-Y141 HydrophobicContact CH2-CG 4.21Å; W106-Y141 AromaticContact CZ3-CD1 4Å; W106-Y141 HydrophobicContact CZ3-CD1 4Å; W106-Y141 HydrophobicContact CZ3-CD2 4.18Å; W106-Y141 AromaticContact CZ3-CE1 3.97Å; W106-Y141 HydrophobicContact CZ3-CE1 3.97Å; W106-Y141 HydrophobicContact CZ3-CE2 4.17Å; W106-Y141 HydrophobicContact CZ3-CG 4.08Å; W106-N144 WeakPolarHBondContact CA-O 3.39Å; W106-N144 HydrophobicContact CD2-CB 3.44Å; W106-N144 VanDerWaalsContact CD2-CB 3.44Å; W106-N144 VanDerWaalsContact CE2-CG 3.42Å; W106-N144 HydrophobicContact CE3-CB 3.78Å; W106-N144 HydrophobicContact CG-CB 3.96Å; W106-N144 HydrophobicContact CH2-CB 3.93Å; W106-N144 HydrophobicContact CZ2-CB 3.61Å; W106-N144 HydrophobicContact CZ3-CB 4.01Å; W106-N144 PolarHBondContact NE1-OD1 2.96Å; W106-V145 HydrophobicContact CE3-CG2 3.7Å; W106-V145 HydrophobicContact CZ3-CG2 3.68Å
107K98.6Very high98.1Very high100 Ų10023.9 Ų23.944%0.43514%0.142SC..THydrogen-bonded Turntrans-55.3-42.5-167-168.8-177-179.9-177.20113.4R18 P24 I105 T109 D143 N144R18-K107 PolarHBondContact NH2-O 3.15Å; P24-K107 WeakPolarHBondContact CG-O 3.47Å; I105-K107 PolarHBondContact O-N 2.68Å; K107-T109 VanDerWaalsContact C-N 3.32Å; K107-T109 PolarHBondContact O-N 3.27Å; K107-D143 VanDerWaalsContact CD-O 3.24Å; K107-D143 WeakPolarHBondContact CD-O 3.46Å; K107-N144 HydrophobicContact CB-CB 4.35Å; K107-N144 PolarHBondContact N-O 3.22Å
108S98.5Very high98.2Very high65 Ų6526.3 Ų26.346%0.45514%0.144SC..THydrogen-bonded Turntrans-79.4-9-177.3-56.90000114.5W106 P133 N144W106-S108 VanDerWaalsContact C-N 3.31Å; W106-S108 PolarHBondContact O-N 3.44Å; S108-P133 WeakPolarHBondContact O-CD 3.37Å; S108-N144 WeakPolarHBondContact CB-OD1 3.46Å; S108-N144 PolarHBondContact N-OD1 3.1Å; S108-N144 PolarHBondContact OG-OD1 2.92Å
109T98.8Very high98.2Very high1 Ų126.4 Ų26.41%0.00615%0.145CC..  trans-69131.2170.6-62.80000108.5R18 I26 Q103 W106 K107 Y131 P133R18-T109 PolarHBondContact NH2-O 3.3Å; I26-T109 HydrophobicContact CG2-CG2 4.13Å; I26-T109 VanDerWaalsContact CG2-O 3.29Å; I26-T109 WeakPolarHBondContact CG2-O 3.4Å; Q103-T109 PolarHBondContact NE2-OG1 3.18Å; Q103-T109 VanDerWaalsContact NE2-OG1 3.14Å; W106-T109 WeakPolarHBondContact O-CB 3.37Å; W106-T109 PolarHBondContact O-N 3.45Å; K107-T109 VanDerWaalsContact C-N 3.32Å; K107-T109 PolarHBondContact O-N 3.27Å; T109-Y131 HydrophobicContact CG2-CD1 4.05Å; T109-Y131 HydrophobicContact CG2-CG 4.42Å; T109-P133 PolarHBondContact OG1-O 3.34Å
110I98.6Very high98.1Very high92 Ų9235.6 Ų35.647%0.47218%0.179SC..  trans-120.6-17.8-176.758.9166.9000113.6I26 S27 K132I26-I110 WeakPolarHBondContact CA-O 3.39Å; S27-I110 PolarHBondContact N-O 3.4Å; S27-I110 PolarHBondContact OG-O 3.06Å; S27-I110 VanDerWaalsContact OG-O 3.13Å; I110-K132 WeakPolarHBondContact CG1-O 3.38Å; I110-K132 PolarHBondContact N-O 2.85Å
111K98.4Very high98Very high78 Ų7837.9 Ų37.934%0.33919%0.192SC..EExtended strand (participates in β ladder)trans-137.2144.4-174.4-76.7174.2168.1-154.90110.8S27 D29 L32 Y131 K132S27-K111 CarbonylContact O-C 3.56Å; S27-K111 VanDerWaalsContact O-CA 3.27Å; S27-K111 WeakPolarHBondContact O-CA 3.44Å; S27-K111 WeakPolarHBondContact OG-CG 3.46Å; D29-K111 HydrophobicContact CB-CB 4.1Å; D29-K111 HydrophobicContact CB-CD 4.25Å; D29-K111 HydrophobicContact CB-CG 4.37Å; D29-K111 WeakPolarHBondContact OD2-CD 3.37Å; D29-K111 IonicContact OD2-NZ 3.9Å; D29-K111 PolarHBondContact OD2-NZ 3.2Å; D29-K111 VanDerWaalsContact OD2-NZ 3.07Å; L32-K111 HydrophobicContact CD1-CB 4.32Å; K111-Y131 CarbonylContact O-C 3.59Å; K111-Y131 WeakPolarHBondContact O-CA 3.42Å; K111-K132 HydrophobicContact CB-CB 4.43Å; K111-K132 PolarHBondContact N-O 3.29Å; K111-K132 PolarHBondContact O-N 2.76Å
112A98.7Very high97.9Very high0 Ų038.8 Ų38.80%020%0.202CC..EExtended strand (participates in β ladder)trans-146.4159.9169.500000112.7I11 I26 S27 Y28 D29 F114 R130 Y131I11-A112 HydrophobicContact CD1-CB 4.26Å; I26-A112 HydrophobicContact CD1-CB 3.71Å; S27-A112 PolarHBondContact O-N 3.28Å; Y28-A112 WeakPolarHBondContact CA-O 3.41Å; D29-A112 PolarHBondContact N-O 2.95Å; A112-F114 HydrophobicContact CB-CE2 3.89Å; A112-F114 HydrophobicContact CB-CZ 3.73Å; A112-R130 CarbonylContact C-O 3.58Å; A112-R130 WeakPolarHBondContact CA-O 3.26Å; A112-R130 WeakPolarHBondContact CB-O 3.48Å; A112-Y131 HydrophobicContact CB-CD1 3.81Å; A112-Y131 HydrophobicContact CB-CE1 4.1Å
113G98.2Very high97.8Very high0 Ų043.5 Ų43.50%022%0.222CC..EExtended strand (participates in β ladder)trans-150.8141.6172.600000111.9S36 R130S36-G113 PolarHBondContact OG-O 3.19Å; G113-R130 PolarHBondContact N-O 3.01Å; G113-R130 PolarHBondContact O-N 3.44Å
114F98.3Very high97.8Very high1 Ų146 Ų460%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-123.7149.3-167.9-52.1-86.5000112L6 N7 A10 I11 H14 W81 A112 V128 Y131L6-F114 HydrophobicContact CD2-CB 4.05Å; L6-F114 HydrophobicContact CG-CB 4.25Å; N7-F114 PolarHBondContact ND2-O 3.31Å; N7-F114 WeakPolarHBondContact OD1-CD2 3.36Å; N7-F114 PolarHBondContact OD1-N 2.81Å; N7-F114 PolarHBondContact OD1-O 3.12Å; A10-F114 HydrophobicContact CB-CD1 4.12Å; A10-F114 HydrophobicContact CB-CD2 3.52Å; A10-F114 HydrophobicContact CB-CE1 4.23Å; A10-F114 HydrophobicContact CB-CE2 3.62Å; A10-F114 HydrophobicContact CB-CG 3.79Å; A10-F114 HydrophobicContact CB-CZ 3.99Å; I11-F114 HydrophobicContact CD1-CE2 3.82Å; I11-F114 HydrophobicContact CG1-CE2 4.05Å; H14-F114 AromaticContact CE1-CE1 3.51Å; H14-F114 AromaticContact CE1-CZ 3.37Å; H14-F114 WeakPolarHBondContact CE1-CZ 3.22Å; H14-F114 AromaticContact ND1-CZ 3.76Å; H14-F114 AromaticContact NE2-CE1 3.88Å; H14-F114 AromaticContact NE2-CZ 3.74Å; W81-F114 HydrophobicContact CH2-CD1 4.11Å; W81-F114 HydrophobicContact CH2-CE1 4.22Å; W81-F114 HydrophobicContact CZ3-CD1 4.09Å; W81-F114 AromaticContact CZ3-CE1 3.77Å; W81-F114 HydrophobicContact CZ3-CE1 3.77Å; A112-F114 HydrophobicContact CB-CE2 3.89Å; A112-F114 HydrophobicContact CB-CZ 3.73Å; F114-V128 CarbonylContact C-O 3.51Å; F114-V128 VanDerWaalsContact CA-O 3.23Å; F114-V128 WeakPolarHBondContact CA-O 3.36Å; F114-Y131 HydrophobicContact CE1-CE1 4.44Å; F114-Y131 HydrophobicContact CZ-CE1 4.41Å
115G97.9Very high97.7Very high0 Ų046.1 Ų46.10%023%0.234CC..EExtended strand (participates in β ladder)trans-140.8154.8175.800000111.6V127 V128G115-V127 WeakPolarHBondContact O-CA 3.46Å; G115-V128 PolarHBondContact N-O 2.9Å; G115-V128 PolarHBondContact O-N 3.39Å
116S97.9Very high97.7Very high34 Ų3446.2 Ų46.224%0.23823%0.234CC..EExtended strand (participates in β ladder)trans-144.8142.1-179.9179.40000111.7Q37 V125 Y126Q37-S116 PolarHBondContact NE2-O 3.15Å; Q37-S116 PolarHBondContact OE1-O 3.29Å; S116-V125 WeakPolarHBondContact OG-CG2 3.47Å; S116-Y126 CarbonylContact C-O 3.58Å; S116-Y126 VanDerWaalsContact CA-O 3.22Å; S116-Y126 WeakPolarHBondContact CA-O 3.42Å; S116-Y126 PolarHBondContact OG-O 3.15Å
117A97.3Very high97.7Very high14 Ų1446.1 Ų46.112%0.11623%0.234CC..EExtended strand (participates in β ladder)trans-144.2148.517500000111.7A40 E41 A44 V125 Y126A40-A117 VanDerWaalsContact C-CB 3.48Å; A40-A117 HydrophobicContact CB-CB 4.04Å; A40-A117 WeakPolarHBondContact O-CB 3.5Å; E41-A117 HydrophobicContact CB-CB 4.43Å; E41-A117 HydrophobicContact CG-CB 3.97Å; A44-A117 HydrophobicContact CB-CB 3.79Å; A117-V125 WeakPolarHBondContact O-CA 3.33Å; A117-Y126 PolarHBondContact N-O 3.14Å; A117-Y126 PolarHBondContact O-N 3.4Å
118L97.4Very high97.6Very high93 Ų9341.4 Ų41.449%0.48721%0.213SC..EExtended strand (participates in β ladder)trans-94.1145.4172.9-66.9171000110.4A44 A70 K124 V125A44-L118 WeakPolarHBondContact CB-O 3.4Å; A70-L118 HydrophobicContact CB-CD2 4.27Å; A70-L118 VanDerWaalsContact O-CD2 3.28Å; A70-L118 WeakPolarHBondContact O-CD2 3.48Å; L118-K124 CarbonylContact C-O 3.59Å; L118-K124 VanDerWaalsContact CA-O 3.26Å; L118-K124 WeakPolarHBondContact CA-O 3.31Å; L118-V125 HydrophobicContact CD2-CB 3.75Å; L118-V125 HydrophobicContact CD2-CG2 4.04Å
119S97.1Very high97.6Very high4 Ų438.3 Ų38.33%0.02819%0.192CC..  trans-57.8159.7163.255.10000110.8N47 D121 G122 K123 K124N47-S119 WeakPolarHBondContact OD1-CB 3.33Å; S119-D121 WeakPolarHBondContact CB-OD1 3.42Å; S119-D121 PolarHBondContact O-N 3.25Å; S119-D121 VanDerWaalsContact O-N 3.1Å; S119-D121 PolarHBondContact OG-OD1 3.3Å; S119-G122 PolarHBondContact O-N 3.33Å; S119-K123 PolarHBondContact OG-N 2.84Å; S119-K124 PolarHBondContact N-O 2.71Å; S119-K124 WeakPolarHBondContact OG-CB 3.28Å; S119-K124 PolarHBondContact OG-N 2.75Å; S119-K124 PolarHBondContact OG-O 3.22Å
120K95.5Very high97.6Very high215 Ų21538.9 Ų38.994%0.93519%0.194SC*.THydrogen-bonded Turntrans-54.4-32.7-178.3-173.9177.3180-179.80113.9G122K120-G122 VanDerWaalsContact C-N 3.35Å
121D95.4Very high97.6Very high93 Ų9334.6 Ų34.650%0.49717%0.172SC..THydrogen-bonded Turntrans-87.2-0.5178.166.7-7.8000114S119 K123S119-D121 WeakPolarHBondContact CB-OD1 3.42Å; S119-D121 PolarHBondContact O-N 3.25Å; S119-D121 VanDerWaalsContact O-N 3.1Å; S119-D121 PolarHBondContact OG-OD1 3.3Å; D121-K123 HydrophobicContact CB-CG 4.34Å; D121-K123 PolarHBondContact O-N 2.91Å; D121-K123 PolarHBondContact OD1-N 2.78Å; D121-K123 VanDerWaalsContact OD1-N 3.08Å; D121-K123 WeakPolarHBondContact OD2-CD 3.23Å
122G96Very high97.6Very high20 Ų2034.8 Ų34.821%0.20617%0.173CC..SBendtrans69.94.7-178.100000114.8A70 S119 K120A70-G122 PolarHBondContact N-O 2.69Å; S119-G122 PolarHBondContact O-N 3.33Å; K120-G122 VanDerWaalsContact C-N 3.35Å
123K96.9Very high97.6Very high99 Ų9937.9 Ų37.943%0.4319%0.193SC..SBendtrans-89.7-10.7-173.5-64.1-173.9-176.5172.70114M65 S66 A70 S119 D121M65-K123 CarbonylContact C-O 3.57Å; M65-K123 VanDerWaalsContact CA-O 3.22Å; M65-K123 WeakPolarHBondContact CA-O 3.45Å; M65-K123 WeakPolarHBondContact CG-O 3.4Å; S66-K123 PolarHBondContact N-O 2.91Å; S66-K123 WeakPolarHBondContact O-CA 3.47Å; S66-K123 WeakPolarHBondContact O-CB 3.47Å; A70-K123 VanDerWaalsContact CB-C 3.5Å; A70-K123 WeakPolarHBondContact CB-O 3.37Å; S119-K123 PolarHBondContact OG-N 2.84Å; D121-K123 HydrophobicContact CB-CG 4.34Å; D121-K123 PolarHBondContact O-N 2.91Å; D121-K123 PolarHBondContact OD1-N 2.78Å; D121-K123 VanDerWaalsContact OD1-N 3.08Å; D121-K123 WeakPolarHBondContact OD2-CD 3.23Å
124K97.7Very high97.6Very high54 Ų5439.1 Ų39.124%0.23520%0.203CC..EExtended strand (participates in β ladder)trans-130.1138.7178.2-57.4173.3178.11780109.6F63 Q64 M65 L118 S119 Y126F63-K124 HydrophobicContact CE2-CB 3.72Å; F63-K124 HydrophobicContact CE2-CD 3.9Å; F63-K124 HydrophobicContact CE2-CG 3.93Å; F63-K124 HydrophobicContact CZ-CB 4.12Å; F63-K124 HydrophobicContact CZ-CD 3.91Å; F63-K124 HydrophobicContact CZ-CG 3.86Å; Q64-K124 CarbonylContact O-C 3.52Å; Q64-K124 WeakPolarHBondContact O-CA 3.42Å; M65-K124 HydrophobicContact CB-CG 4.46Å; M65-K124 HydrophobicContact CG-CG 4.14Å; L118-K124 CarbonylContact C-O 3.59Å; L118-K124 VanDerWaalsContact CA-O 3.26Å; L118-K124 WeakPolarHBondContact CA-O 3.31Å; S119-K124 PolarHBondContact N-O 2.71Å; S119-K124 WeakPolarHBondContact OG-CB 3.28Å; S119-K124 PolarHBondContact OG-N 2.75Å; S119-K124 PolarHBondContact OG-O 3.22Å; K124-Y126 HydrophobicContact CB-CE2 3.81Å; K124-Y126 WeakPolarHBondContact CD-OH 3.41Å
125V97.8Very high97.5Very high2 Ų239.5 Ų39.51%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-117.7136.917164.90000109F63 Q64 A70 L72 S116 A117 L118 V127F63-V125 WeakPolarHBondContact CA-O 3.38Å; Q64-V125 HydrophobicContact CB-CG1 3.77Å; Q64-V125 PolarHBondContact N-O 3.12Å; Q64-V125 VanDerWaalsContact N-O 3.14Å; Q64-V125 PolarHBondContact O-N 3.39Å; A70-V125 HydrophobicContact CB-CB 3.98Å; A70-V125 HydrophobicContact CB-CG1 4.01Å; L72-V125 HydrophobicContact CB-CG1 3.72Å; L72-V125 HydrophobicContact CB-CG2 4.44Å; S116-V125 WeakPolarHBondContact OG-CG2 3.47Å; A117-V125 WeakPolarHBondContact O-CA 3.33Å; L118-V125 HydrophobicContact CD2-CB 3.75Å; L118-V125 HydrophobicContact CD2-CG2 4.04Å; V125-V127 HydrophobicContact CG2-CG2 4.33Å
126Y98.1Very high97.5Very high2 Ų241.6 Ų41.61%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-118.2126.3176.4-58.1-98.4000107.5L43 A44 N47 L49 F63 S116 A117 K124L43-Y126 HydrophobicContact CB-CD1 3.74Å; L43-Y126 HydrophobicContact CB-CE1 4.34Å; L43-Y126 HydrophobicContact CB-CG 4Å; A44-Y126 HydrophobicContact CB-CD2 3.75Å; A44-Y126 HydrophobicContact CB-CE2 4.07Å; N47-Y126 VanDerWaalsContact CA-OH 3.28Å; N47-Y126 WeakPolarHBondContact CA-OH 3.39Å; L49-Y126 HydrophobicContact CD1-CD1 3.9Å; F63-Y126 AromaticContact CD2-CD1 3.8Å; F63-Y126 HydrophobicContact CD2-CD1 3.8Å; F63-Y126 AromaticContact CD2-CE1 3.52Å; F63-Y126 HydrophobicContact CD2-CE1 3.52Å; F63-Y126 HydrophobicContact CD2-CG 4.4Å; F63-Y126 AromaticContact CD2-CZ 3.92Å; F63-Y126 HydrophobicContact CE2-CD1 4.37Å; F63-Y126 AromaticContact CE2-CE1 3.68Å; F63-Y126 HydrophobicContact CE2-CE1 3.68Å; F63-Y126 HydrophobicContact CE2-CE2 4.27Å; F63-Y126 AromaticContact CE2-CZ 3.63Å; S116-Y126 CarbonylContact C-O 3.58Å; S116-Y126 VanDerWaalsContact CA-O 3.22Å; S116-Y126 WeakPolarHBondContact CA-O 3.42Å; S116-Y126 PolarHBondContact OG-O 3.15Å; A117-Y126 PolarHBondContact N-O 3.14Å; A117-Y126 PolarHBondContact O-N 3.4Å; K124-Y126 HydrophobicContact CB-CE2 3.81Å; K124-Y126 WeakPolarHBondContact CD-OH 3.41Å
127V98.2Very high97.4Very high2 Ų243.8 Ų43.81%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-118.6133175.1-179.30000108.8L6 L61 A62 L72 A77 W81 G115 V125L6-V127 HydrophobicContact CD1-CG1 4.39Å; L61-V127 CarbonylContact C-O 3.6Å; L61-V127 WeakPolarHBondContact CA-O 3.34Å; A62-V127 HydrophobicContact CB-CB 4.25Å; A62-V127 PolarHBondContact N-O 3.31Å; A62-V127 PolarHBondContact O-N 3.39Å; L72-V127 HydrophobicContact CB-CG2 4.11Å; L72-V127 HydrophobicContact CD2-CB 4.25Å; L72-V127 HydrophobicContact CD2-CG2 3.75Å; L72-V127 HydrophobicContact CG-CG2 4.41Å; A77-V127 HydrophobicContact CB-CB 4.33Å; A77-V127 HydrophobicContact CB-CG1 3.91Å; W81-V127 HydrophobicContact CH2-CG1 4.21Å; W81-V127 HydrophobicContact CZ2-CG1 4.45Å; G115-V127 WeakPolarHBondContact O-CA 3.46Å; V125-V127 HydrophobicContact CG2-CG2 4.33Å
128V98.3Very high97.3Very high0 Ų047.9 Ų47.90%025%0.245CC..EExtended strand (participates in β ladder)trans-119.5128.7178.6-178.60000108W39 A40 L43 E59 L61 F114 G115 R130W39-V128 HydrophobicContact CB-CG1 4.4Å; W39-V128 HydrophobicContact CB-CG2 4.31Å; W39-V128 HydrophobicContact CG-CG2 4.46Å; A40-V128 HydrophobicContact CB-CB 4.48Å; A40-V128 HydrophobicContact CB-CG2 3.83Å; L43-V128 HydrophobicContact CD1-CG2 3.81Å; E59-V128 HydrophobicContact CG-CG1 4.14Å; L61-V128 HydrophobicContact CD2-CB 4.26Å; L61-V128 HydrophobicContact CD2-CG1 4.05Å; L61-V128 HydrophobicContact CD2-CG2 3.76Å; F114-V128 CarbonylContact C-O 3.51Å; F114-V128 VanDerWaalsContact CA-O 3.23Å; F114-V128 WeakPolarHBondContact CA-O 3.36Å; G115-V128 PolarHBondContact N-O 2.9Å; G115-V128 PolarHBondContact O-N 3.39Å; V128-R130 HydrophobicContact CG1-CG 4.36Å
129G98.4Very high97.1Very high0 Ų049.4 Ų49.40%025%0.254CS..EExtended strand (participates in β ladder)trans-114.5132.4167.900000110.2E59 N60 Y131E59-G129 CarbonylContact C-O 3.54Å; E59-G129 VanDerWaalsContact CA-O 3.3Å; E59-G129 WeakPolarHBondContact CA-O 3.44Å; N60-G129 PolarHBondContact N-O 2.85Å; N60-G129 PolarHBondContact O-N 3.19Å; G129-Y131 WeakPolarHBondContact O-CE2 3.34Å
130R98.5Very high97.1Very high14 Ų1452.5 Ų52.55%0.05327%0.27CS..EExtended strand (participates in β ladder)trans-119.3144.3173.4-73-179.2178.1159.52.4111.3L32 D35 S36 S52 Y57 G58 E59 A112 G113 V128L32-R130 HydrophobicContact CB-CB 4.41Å; L32-R130 HydrophobicContact CD2-CB 4.24Å; D35-R130 VanDerWaalsContact C-NH1 3.28Å; D35-R130 PolarHBondContact O-NH1 2.89Å; S36-R130 WeakPolarHBondContact OG-CB 3.31Å; S36-R130 WeakPolarHBondContact OG-CG 3.41Å; S36-R130 PolarHBondContact OG-N 3.32Å; S52-R130 PolarHBondContact OG-NH2 2.88Å; S52-R130 VanDerWaalsContact OG-NH2 3.16Å; Y57-R130 HydrophobicContact CD2-CB 4.29Å; Y57-R130 HydrophobicContact CD2-CG 3.75Å; Y57-R130 HydrophobicContact CE2-CG 4.02Å; Y57-R130 HydrophobicContact CG-CB 4.43Å; Y57-R130 HydrophobicContact CG-CG 4.29Å; Y57-R130 PolarHBondContact OH-NH2 2.99Å; G58-R130 CarbonylContact O-C 3.53Å; G58-R130 VanDerWaalsContact O-CA 3.23Å; G58-R130 WeakPolarHBondContact O-CA 3.31Å; E59-R130 HydrophobicContact CG-CG 4.29Å; E59-R130 IonicContact OE2-CZ 2.78Å; E59-R130 IonicContact OE2-NE 3.69Å; E59-R130 PolarHBondContact OE2-NE 2.89Å; E59-R130 IonicContact OE2-NH2 3.07Å; E59-R130 PolarHBondContact OE2-NH2 3.37Å; A112-R130 CarbonylContact C-O 3.58Å; A112-R130 WeakPolarHBondContact CA-O 3.26Å; A112-R130 WeakPolarHBondContact CB-O 3.48Å; G113-R130 PolarHBondContact N-O 3.01Å; G113-R130 PolarHBondContact O-N 3.44Å; V128-R130 HydrophobicContact CG1-CG 4.36Å
131Y98.7Very high97.2Very high1 Ų142.5 Ų42.50%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-129.8140.9-166.3-58-89.3000111.2H14 Y57 G58 N60 W81 Q103 T109 K111 A112 F114 G129H14-Y131 AromaticContact CD2-CE1 3.81Å; H14-Y131 AromaticContact NE2-CE1 3.44Å; H14-Y131 WeakPolarHBondContact NE2-CE1 3.42Å; H14-Y131 AromaticContact NE2-CZ 3.61Å; H14-Y131 PolarHBondContact NE2-OH 2.87Å; Y57-Y131 CarbonylContact C-O 3.59Å; Y57-Y131 VanDerWaalsContact CA-O 3.28Å; Y57-Y131 WeakPolarHBondContact CA-O 3.43Å; Y57-Y131 WeakPolarHBondContact CB-O 3.42Å; G58-Y131 PolarHBondContact N-O 2.8Å; G58-Y131 PolarHBondContact O-N 3.36Å; N60-Y131 HydrophobicContact CB-CE2 3.82Å; N60-Y131 PolarHBondContact ND2-OH 2.9Å; W81-Y131 WeakPolarHBondContact CZ3-OH 3.36Å; Q103-Y131 VanDerWaalsContact CD-CG 3.48Å; Q103-Y131 HydrophobicContact CG-CD1 4.11Å; Q103-Y131 HydrophobicContact CG-CD2 3.28Å; Q103-Y131 HydrophobicContact CG-CE1 4.24Å; Q103-Y131 HydrophobicContact CG-CE2 3.45Å; Q103-Y131 VanDerWaalsContact CG-CE2 3.45Å; Q103-Y131 HydrophobicContact CG-CG 3.64Å; T109-Y131 HydrophobicContact CG2-CD1 4.05Å; T109-Y131 HydrophobicContact CG2-CG 4.42Å; K111-Y131 CarbonylContact O-C 3.59Å; K111-Y131 WeakPolarHBondContact O-CA 3.42Å; A112-Y131 HydrophobicContact CB-CD1 3.81Å; A112-Y131 HydrophobicContact CB-CE1 4.1Å; F114-Y131 HydrophobicContact CE1-CE1 4.44Å; F114-Y131 HydrophobicContact CZ-CE1 4.41Å; G129-Y131 WeakPolarHBondContact O-CE2 3.34Å
132K98.3Very high97.2Very high83 Ų8346.5 Ų46.536%0.36124%0.242SC..EExtended strand (participates in β ladder)trans-140.7134177.1-160.3157.1-168.7148.70112.7L32 D56 I110 K111L32-K132 HydrophobicContact CD1-CB 3.91Å; D56-K132 PolarHBondContact O-NZ 2.67Å; D56-K132 IonicContact OD2-NZ 3.48Å; D56-K132 PolarHBondContact OD2-NZ 3.38Å; I110-K132 WeakPolarHBondContact CG1-O 3.38Å; I110-K132 PolarHBondContact N-O 2.85Å; K111-K132 HydrophobicContact CB-CB 4.43Å; K111-K132 PolarHBondContact N-O 3.29Å; K111-K132 PolarHBondContact O-N 2.76Å
133P97.8Very high97.2Very high65 Ų6550.9 Ų50.942%0.42226%0.26SS..SBendcis-48.8160.1-20.3-26.333.3000113.5S108 T109S108-P133 WeakPolarHBondContact O-CD 3.37Å; T109-P133 PolarHBondContact OG1-O 3.34Å
134A97.9Very high97.3Very high25 Ų2546.4 Ų46.421%0.20724%0.241CC..  trans-63.5145175.200000111G58G58-A134 VanDerWaalsContact N-CB 3.33Å
135G97.6Very high97.3Very high9 Ų944.4 Ų44.49%0.09323%0.234CC..  trans-91-168.7168.500000112.6W106 I137W106-G135 VanDerWaalsContact CD2-CA 3.45Å; W106-G135 VanDerWaalsContact CG-CA 3.45Å; G135-I137 PolarHBondContact O-N 3.3Å
136N96.8Very high97.3Very high44 Ų4446.1 Ų46.124%0.23525%0.245CC..  trans58.632.5172.7-56.8-12.8000114.2G99 T102 Q103 W106 Y141G99-N136 PolarHBondContact O-ND2 3.38Å; T102-N136 WeakPolarHBondContact CB-OD1 3.5Å; T102-N136 PolarHBondContact OG1-OD1 2.85Å; Q103-N136 PolarHBondContact N-OD1 2.98Å; W106-N136 VanDerWaalsContact CE3-N 3.35Å; W106-N136 VanDerWaalsContact CZ3-N 3.33Å; N136-Y141 WeakPolarHBondContact CA-OH 3.35Å; N136-Y141 WeakPolarHBondContact CB-OH 2.75Å
137I95.4Very high97.3Very high80 Ų8051.8 Ų51.841%0.4127%0.27SS..  trans-82.8124.8174.6-56.8175.7000107.7W106 G135 L140 Y141W106-I137 HydrophobicContact CZ2-CB 4.27Å; G135-I137 PolarHBondContact O-N 3.3Å; I137-L140 HydrophobicContact CB-CB 4.36Å; I137-L140 HydrophobicContact CB-CD1 3.94Å; I137-L140 HydrophobicContact CB-CG 4.28Å; I137-L140 HydrophobicContact CD1-CD1 4.2Å; I137-L140 HydrophobicContact CG2-CD1 3.79Å; I137-L140 HydrophobicContact CG2-CG 4.05Å; I137-L140 PolarHBondContact O-N 2.57Å; I137-Y141 WeakPolarHBondContact O-CD2 3.38Å
138I94.6Very high97.2Very high100 Ų10054.1 Ų54.151%0.51328%0.284SS..THydrogen-bonded Turntrans-53.9145.4174.9-62.3174.4000109.2L140I138-L140 PolarHBondContact O-N 3.43Å; I138-L140 VanDerWaalsContact O-N 3.17Å
139D94.5Very high97.1Very high125 Ų12562 Ų6267%0.66832%0.319SS*.THydrogen-bonded Turntrans70.1-3.8-176.7-53.6-42.5000116.1
140L96.6Very high96.8Very high69 Ų6967.4 Ų67.436%0.36135%0.346SS..  trans-107.84.3177.9-60-170.4000114.1W106 I137 I138 N144W106-L140 HydrophobicContact CH2-CB 4.14Å; W106-L140 HydrophobicContact CZ2-CB 3.77Å; I137-L140 HydrophobicContact CB-CB 4.36Å; I137-L140 HydrophobicContact CB-CD1 3.94Å; I137-L140 HydrophobicContact CB-CG 4.28Å; I137-L140 HydrophobicContact CD1-CD1 4.2Å; I137-L140 HydrophobicContact CG2-CD1 3.79Å; I137-L140 HydrophobicContact CG2-CG 4.05Å; I137-L140 PolarHBondContact O-N 2.57Å; I138-L140 PolarHBondContact O-N 3.43Å; I138-L140 VanDerWaalsContact O-N 3.17Å; L140-N144 VanDerWaalsContact O-CB 3.32Å; L140-N144 WeakPolarHBondContact O-CB 3.48Å; L140-N144 PolarHBondContact O-N 3.14Å; L140-N144 PolarHBondContact O-ND2 3.1Å
141Y97.1Very high96.5Very high6 Ų672.9 Ų72.92%0.02438%0.382CS..Hα-helixtrans-64.1-42.3-176.1-84.2-100.9000113Q93 N94 T102 W106 N136 I137 D143 N144 V145Q93-Y141 HydrophobicContact CB-CD2 3.9Å; Q93-Y141 HydrophobicContact CB-CE2 4.42Å; Q93-Y141 HydrophobicContact CB-CG 4.09Å; Q93-Y141 HydrophobicContact CG-CD2 4.26Å; Q93-Y141 HydrophobicContact CG-CG 4.23Å; N94-Y141 WeakPolarHBondContact CA-OH 3.22Å; N94-Y141 HydrophobicContact CB-CE2 4.05Å; N94-Y141 VanDerWaalsContact N-CZ 3.29Å; T102-Y141 HydrophobicContact CG2-CD1 4.41Å; T102-Y141 HydrophobicContact CG2-CE1 3.95Å; W106-Y141 AromaticContact CH2-CD2 3.99Å; W106-Y141 HydrophobicContact CH2-CD2 3.99Å; W106-Y141 HydrophobicContact CH2-CE2 4.12Å; W106-Y141 HydrophobicContact CH2-CG 4.21Å; W106-Y141 AromaticContact CZ3-CD1 4Å; W106-Y141 HydrophobicContact CZ3-CD1 4Å; W106-Y141 HydrophobicContact CZ3-CD2 4.18Å; W106-Y141 AromaticContact CZ3-CE1 3.97Å; W106-Y141 HydrophobicContact CZ3-CE1 3.97Å; W106-Y141 HydrophobicContact CZ3-CE2 4.17Å; W106-Y141 HydrophobicContact CZ3-CG 4.08Å; N136-Y141 WeakPolarHBondContact CA-OH 3.35Å; N136-Y141 WeakPolarHBondContact CB-OH 2.75Å; I137-Y141 WeakPolarHBondContact O-CD2 3.38Å; Y141-D143 VanDerWaalsContact C-N 3.29Å; Y141-D143 PolarHBondContact O-N 2.96Å; Y141-N144 PolarHBondContact O-N 3.45Å; Y141-N144 VanDerWaalsContact O-N 3.11Å; Y141-V145 HydrophobicContact CD1-CB 4.47Å; Y141-V145 HydrophobicContact CD1-CG2 3.82Å; Y141-V145 HydrophobicContact CE1-CG2 4.39Å; Y141-V145 WeakPolarHBondContact O-CB 3.34Å; Y141-V145 PolarHBondContact O-N 2.9Å
142E95.5Very high96.2Very high176 Ų17674 Ų7482%0.82239%0.391SS*.Hα-helixtrans-57.8-42.4-178-174.1174.9178.800111.9
143D96.9Very high95.9Very high112 Ų11272 Ų7260%0.59939%0.387SS*.Hα-helixtrans-78-22.8179.4-72.8-35.2000113.8K107 Y141K107-D143 VanDerWaalsContact CD-O 3.24Å; K107-D143 WeakPolarHBondContact CD-O 3.46Å; Y141-D143 VanDerWaalsContact C-N 3.29Å; Y141-D143 PolarHBondContact O-N 2.96Å
144N98.4Very high95.7Very high5 Ų573.1 Ų73.13%0.02739%0.394CS..Hα-helixtrans-112.8-13.6-168.6-72.2-83.4000115.7W106 K107 S108 L140 Y141 P146W106-N144 WeakPolarHBondContact CA-O 3.39Å; W106-N144 HydrophobicContact CD2-CB 3.44Å; W106-N144 VanDerWaalsContact CD2-CB 3.44Å; W106-N144 VanDerWaalsContact CE2-CG 3.42Å; W106-N144 HydrophobicContact CE3-CB 3.78Å; W106-N144 HydrophobicContact CG-CB 3.96Å; W106-N144 HydrophobicContact CH2-CB 3.93Å; W106-N144 HydrophobicContact CZ2-CB 3.61Å; W106-N144 HydrophobicContact CZ3-CB 4.01Å; W106-N144 PolarHBondContact NE1-OD1 2.96Å; K107-N144 HydrophobicContact CB-CB 4.35Å; K107-N144 PolarHBondContact N-O 3.22Å; S108-N144 WeakPolarHBondContact CB-OD1 3.46Å; S108-N144 PolarHBondContact N-OD1 3.1Å; S108-N144 PolarHBondContact OG-OD1 2.92Å; L140-N144 VanDerWaalsContact O-CB 3.32Å; L140-N144 WeakPolarHBondContact O-CB 3.48Å; L140-N144 PolarHBondContact O-N 3.14Å; L140-N144 PolarHBondContact O-ND2 3.1Å; Y141-N144 PolarHBondContact O-N 3.45Å; Y141-N144 VanDerWaalsContact O-N 3.11Å; N144-P146 VanDerWaalsContact O-CD 3.32Å; N144-P146 WeakPolarHBondContact O-CD 3.3Å
145V98.2Very high95.5Very high12 Ų1275.6 Ų75.67%0.07340%0.398CS..  trans-123.764.7-175.9-178.90000109.7H88 F90 F101 T102 I105 W106 Y141H88-V145 WeakPolarHBondContact NE2-CG1 3.5Å; F90-V145 HydrophobicContact CD1-CG1 4.33Å; F90-V145 HydrophobicContact CE1-CG1 4.31Å; F101-V145 HydrophobicContact CE1-CG1 4.29Å; T102-V145 HydrophobicContact CG2-CG1 3.83Å; T102-V145 HydrophobicContact CG2-CG2 3.93Å; I105-V145 HydrophobicContact CD1-CB 4.49Å; I105-V145 HydrophobicContact CD1-CG1 3.9Å; W106-V145 HydrophobicContact CE3-CG2 3.7Å; W106-V145 HydrophobicContact CZ3-CG2 3.68Å; Y141-V145 HydrophobicContact CD1-CB 4.47Å; Y141-V145 HydrophobicContact CD1-CG2 3.82Å; Y141-V145 HydrophobicContact CE1-CG2 4.39Å; Y141-V145 WeakPolarHBondContact O-CB 3.34Å; Y141-V145 PolarHBondContact O-N 2.9Å
146P97.6Very high95.2Very high38 Ų3881 Ų8125%0.24742%0.424CS..PPolyproline II helixtrans-67.4150.9179.327.3-32.3000111H21 C23 N144H21-P146 HydrophobicContact CB-CG 4.16Å; H21-P146 PolarHBondContact ND1-O 3.1Å; H21-P146 VanDerWaalsContact O-CG 3.31Å; H21-P146 WeakPolarHBondContact O-CG 3.44Å; C23-P146 VanDerWaalsContact SG-CG 3.54Å; N144-P146 VanDerWaalsContact O-CD 3.32Å; N144-P146 WeakPolarHBondContact O-CD 3.3Å
147K97.3Very high95Very high122 Ų12284.7 Ų84.753%0.5344%0.44SS..PPolyproline II helixtrans-60.6148.2171.9-72173.5-178.5172.20111.1F90 K149F90-K147 HydrophobicContact CB-CD 4.23Å; F90-K147 HydrophobicContact CB-CG 3.76Å; F90-K147 HydrophobicContact CD1-CB 4.36Å; F90-K147 HydrophobicContact CD1-CG 3.61Å; F90-K147 HydrophobicContact CD2-CG 4.03Å; F90-K147 HydrophobicContact CE1-CG 4.19Å; F90-K147 HydrophobicContact CG-CD 4.4Å; F90-K147 HydrophobicContact CG-CG 3.52Å; K147-K149 PolarHBondContact O-N 3.07Å
148P97.1Very high94.9Very high50 Ų5081.2 Ų81.233%0.32542%0.422SS..PPolyproline II helixtrans-63.5134.9173.328.2-33.8000109.7L20 I85L20-P148 CarbonylContact O-C 3.57Å; I85-P148 HydrophobicContact CD1-CG 4.26Å
149K95.9Very high94.7Very high165 Ų16578.1 Ų78.172%0.71741%0.406SS*.SBendtrans-84.7-23.6171.4-59.3-178.8-176.7179.70111.7L20 K147L20-K149 PolarHBondContact O-N 3.33Å; K147-K149 PolarHBondContact O-N 3.07Å
150I92.1Very high94.4Very high114 Ų11479 Ų7959%0.58540%0.404SS*.SBendtrans-137.1139.9-178.6-54.6174.4000108.1L20L20-I150 HydrophobicContact CD2-CB 4.07Å; L20-I150 HydrophobicContact CD2-CG2 4.28Å
151T91.6Very high93.2Very high129 Ų12979.5 Ų79.579%0.79141%0.406SS*.PPolyproline II helixtrans-63.8136.7175.3-51.80000110.7
152A92.6Very high91.7Very high24 Ų2482.3 Ų82.320%0.19843%0.426CS..PPolyproline II helixtrans-64144.2173.900000111.2L17 L20 Y82L17-A152 HydrophobicContact CD2-CB 4.48Å; L20-A152 HydrophobicContact CD1-CB 3.61Å; Y82-A152 HydrophobicContact CE1-CB 3.72Å
153P93Very high90Very high42 Ų4282.8 Ų82.827%0.27343%0.428SS..PPolyproline II helixtrans-61157.817624.5-33.4000111.5R79 F158R79-P153 PolarHBondContact NH1-O 3.17Å; R79-P153 PolarHBondContact NH2-O 3.35Å; P153-F158 HydrophobicContact CG-CB 4.06Å; P153-F158 HydrophobicContact CG-CD2 3.74Å; P153-F158 HydrophobicContact CG-CG 4.35Å
154P93.5Very high88Confident88 Ų8882.5 Ų82.557%0.57144%0.435SS*.PPolyproline II helixtrans-51144.8171.3-25.434.7000111.8D156 E157 F158P154-D156 VanDerWaalsContact C-N 3.35Å; P154-D156 PolarHBondContact O-N 3.33Å; P154-E157 HydrophobicContact CB-CB 4.48Å; P154-E157 WeakPolarHBondContact O-CB 3.28Å; P154-E157 PolarHBondContact O-N 2.85Å; P154-E157 VanDerWaalsContact O-N 3.1Å; P154-F158 PolarHBondContact O-N 3.1Å
155R93Very high85.2Confident78 Ų7891.9 Ų91.929%0.29448%0.475SS..Hα-helixtrans-54.4-49.1-175.3178.5172.6176.399.27.2112.5R79 N80 D83 E157 F158 I159R79-R155 HydrophobicContact CG-CG 4.08Å; N80-R155 VanDerWaalsContact OD1-CZ 3.24Å; N80-R155 PolarHBondContact OD1-NH1 2.89Å; N80-R155 PolarHBondContact OD1-NH2 3.23Å; D83-R155 IonicContact OD2-CZ 2.71Å; D83-R155 IonicContact OD2-NH1 3.22Å; D83-R155 PolarHBondContact OD2-NH1 2.95Å; R155-E157 PolarHBondContact O-N 3.08Å; R155-F158 PolarHBondContact O-N 3.2Å; R155-F158 VanDerWaalsContact O-N 3.1Å; R155-I159 HydrophobicContact CG-CG2 4.2Å; R155-I159 WeakPolarHBondContact O-CG1 3.43Å; R155-I159 WeakPolarHBondContact O-CG2 3.26Å; R155-I159 PolarHBondContact O-N 3.34Å
156D91.7Very high82.2Confident121 Ų12196.6 Ų96.665%0.64751%0.507SS*.Hα-helixtrans-65.2-22.6-177.4-63.1-15.8000113.2P154 K160P154-D156 VanDerWaalsContact C-N 3.35Å; P154-D156 PolarHBondContact O-N 3.33Å; D156-K160 VanDerWaalsContact O-CE 3.26Å; D156-K160 WeakPolarHBondContact O-CE 3.16Å; D156-K160 WeakPolarHBondContact O-CG 3.48Å
157E92.3Very high79.4Confident122 Ų12299.6 Ų99.657%0.5753%0.53SS*.Hα-helixtrans-81.4-46.4171.6-172.4-178.6166.300110.5P154 R155 I159 K160P154-E157 HydrophobicContact CB-CB 4.48Å; P154-E157 WeakPolarHBondContact O-CB 3.28Å; P154-E157 PolarHBondContact O-N 2.85Å; P154-E157 VanDerWaalsContact O-N 3.1Å; R155-E157 PolarHBondContact O-N 3.08Å; E157-I159 PolarHBondContact O-N 2.88Å; E157-K160 WeakPolarHBondContact O-CB 3.45Å; E157-K160 PolarHBondContact O-N 3.44Å
158F93.3Very high76.5Confident7 Ų7101.1 Ų101.13%0.03154%0.542CS..Hα-helixtrans-62.8-42.9-176.8-175.1-97.9000113.3A13 E16 L17 R75 R79 P153 P154 R155 K160A13-F158 HydrophobicContact CB-CE1 3.96Å; A13-F158 HydrophobicContact CB-CZ 3.73Å; E16-F158 HydrophobicContact CB-CE2 4.11Å; E16-F158 WeakPolarHBondContact OE2-CE2 3.35Å; L17-F158 HydrophobicContact CD1-CE1 3.97Å; L17-F158 HydrophobicContact CD1-CE2 4.31Å; L17-F158 HydrophobicContact CD1-CZ 3.55Å; L17-F158 HydrophobicContact CD2-CD2 4.38Å; L17-F158 HydrophobicContact CD2-CE2 3.77Å; L17-F158 HydrophobicContact CD2-CZ 3.86Å; L17-F158 HydrophobicContact CG-CE1 4.33Å; L17-F158 HydrophobicContact CG-CE2 3.77Å; L17-F158 HydrophobicContact CG-CZ 3.49Å; L17-F158 VanDerWaalsContact CG-CZ 3.49Å; R75-F158 VanDerWaalsContact CZ-O 3.25Å; R75-F158 PolarHBondContact NE-O 2.96Å; R75-F158 PolarHBondContact NH2-O 2.94Å; R79-F158 HydrophobicContact CB-CD1 3.91Å; R79-F158 HydrophobicContact CB-CE1 4.03Å; R79-F158 HydrophobicContact CG-CD1 4Å; R79-F158 VanDerWaalsContact NH1-CB 3.32Å; P153-F158 HydrophobicContact CG-CB 4.06Å; P153-F158 HydrophobicContact CG-CD2 3.74Å; P153-F158 HydrophobicContact CG-CG 4.35Å; P154-F158 PolarHBondContact O-N 3.1Å; R155-F158 PolarHBondContact O-N 3.2Å; R155-F158 VanDerWaalsContact O-N 3.1Å; F158-K160 PolarHBondContact O-N 3.18Å
159I91.3Very high73.9Confident35 Ų35109.8 Ų109.818%0.17958%0.584CS.*THydrogen-bonded Turntrans-75.3-10.2-174.967.3-179.6000113E76 R79 R155 E157 I161E76-I159 HydrophobicContact CG-CB 4.18Å; E76-I159 HydrophobicContact CG-CG2 4.27Å; R79-I159 HydrophobicContact CB-CG2 4Å; R79-I159 HydrophobicContact CG-CG2 4.05Å; R155-I159 HydrophobicContact CG-CG2 4.2Å; R155-I159 WeakPolarHBondContact O-CG1 3.43Å; R155-I159 WeakPolarHBondContact O-CG2 3.26Å; R155-I159 PolarHBondContact O-N 3.34Å; E157-I159 PolarHBondContact O-N 2.88Å; I159-I161 PolarHBondContact O-N 3.16Å
160K86.5Confident72.8Confident144 Ų144107.1 Ų107.163%0.62658%0.578SS**SBendtrans-61.8129.9172.9-72.4172.5-177.3178.10109.1R75 D156 E157 F158 P162R75-K160 PolarHBondContact NE-O 3.45Å; D156-K160 VanDerWaalsContact O-CE 3.26Å; D156-K160 WeakPolarHBondContact O-CE 3.16Å; D156-K160 WeakPolarHBondContact O-CG 3.48Å; E157-K160 WeakPolarHBondContact O-CB 3.45Å; E157-K160 PolarHBondContact O-N 3.44Å; F158-K160 PolarHBondContact O-N 3.18Å; K160-P162 VanDerWaalsContact O-CD 3.3Å; K160-P162 WeakPolarHBondContact O-CD 3.38Å
161I71.9Confident71.8Confident79 Ų79106.7 Ų106.741%0.40558%0.577SS.*PPolyproline II helixtrans-70.4119.8172.5-59.6169000106.2E9 I159 E163E9-I161 WeakPolarHBondContact OE1-CD1 3.44Å; I159-I161 PolarHBondContact O-N 3.16Å; I161-E163 PolarHBondContact O-N 3.17Å; I161-E163 VanDerWaalsContact O-N 3.13Å
162P66.8Low70.7Confident66 Ų66105.4 Ų105.443%0.42957%0.565SS.*PPolyproline II helixtrans-58.4123.4177.4-24.336000108.7K160 S164K160-P162 VanDerWaalsContact O-CD 3.3Å; K160-P162 WeakPolarHBondContact O-CD 3.38Å; P162-S164 PolarHBondContact O-N 2.91Å; P162-S164 VanDerWaalsContact O-N 3.08Å
163E58.4Low69.4Low185 Ų185110.2 Ų110.286%0.86459%0.587SS**PPolyproline II helixtrans-56.8120.6170.4-68.3-177.2169.200106.9I161 K165I161-E163 PolarHBondContact O-N 3.17Å; I161-E163 VanDerWaalsContact O-N 3.13Å; E163-K165 PolarHBondContact O-N 2.97Å
164S55Low67.9Low107 Ų107114.5 Ų114.575%0.74861%0.607SS**  trans-56.9110.9171.849.80000106.6P162 C166P162-S164 PolarHBondContact O-N 2.91Å; P162-S164 VanDerWaalsContact O-N 3.08Å; S164-C166 PolarHBondContact O-N 2.77Å
165K40.7Very low66.2Low201 Ų201116.3 Ų116.387%0.87461%0.609SS**  trans-59.197.3164-74.2-172.4179.4-177.90105.8E163 S167E163-K165 PolarHBondContact O-N 2.97Å; K165-S167 PolarHBondContact O-N 3.08Å
166C35.2Very low64.3Low111 Ų111119 Ų11975%0.7563%0.632SS**  trans-6790.2161.3-156.80000104.3S164 I168S164-C166 PolarHBondContact O-N 2.77Å; C166-I168 PolarHBondContact O-N 2.89Å
167S37.3Very low62.2Low102 Ų102118.8 Ų118.871%0.71363%0.63SS**  trans-67.995.2165.2470000106.1K165 L169K165-S167 PolarHBondContact O-N 3.08Å; S167-L169 PolarHBondContact O-N 3.13Å
168I37.1Very low59.7Low154 Ų154118.6 Ų118.679%0.7964%0.635SS**  trans-63.2108.2161.6-57.6169.9000105.3C166C166-I168 PolarHBondContact O-N 2.89Å
169L42.3Very low56.6Low232 Ų232128.7 Ų128.7100%1.21569%0.69SS**  trans-110.60149.2-76.8175.3000106.8S167S167-L169 PolarHBondContact O-N 3.13Å

Retrieved 169 of 169 residues in 318.6 ms (Link to these results)

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