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Fructose-bisphosphatase

Catalyzes the hydrolysis of fructose 1,6-bisphosphate to fructose 6-phosphate in the presence of divalent cations and probably participates in glycogen synthesis from carbohydrate precursors, such as lactate.

AlphaFold DB , UniProt , Accession X2JES1, Species DROME (Drosophila melanogaster, Fruit fly), Gene Fbp, Length 322 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
1M93.9Very high95.5Very high86 Ų8651.6 Ų51.642%0.42425%0.247SC..  0123.80174.7163.664.300107.5R5 F6 Q9 L186M1-R5 HydrophobicContact CG-CG 4.39Å; M1-F6 HydrophobicContact CE-CD2 3.78Å; M1-F6 HydrophobicContact CG-CB 4.32Å; M1-F6 HydrophobicContact SD-CB 4.4Å; M1-F6 HydrophobicContact SD-CD2 4.42Å; M1-Q9 PolarHBondContact SD-OE1 2.96Å; M1-L186 HydrophobicContact CE-CB 4.4Å; M1-L186 HydrophobicContact CE-CD2 3.22Å; M1-L186 HydrophobicContact CE-CG 4.41Å; M1-L186 PolarHBondContact O-N 3.33Å
2T98.1Very high95.1Very high42 Ų4265.1 Ų65.126%0.25829%0.293SS..BIsolated β-bridgetrans-79.2159.3179.3630000111.5R5 F6 E183 F184T2-R5 PolarHBondContact O-N 3.28Å; T2-R5 WeakPolarHBondContact OG1-CB 3.46Å; T2-R5 PolarHBondContact OG1-N 3.46Å; T2-F6 WeakPolarHBondContact O-CB 3.47Å; T2-F6 PolarHBondContact O-N 3.31Å; T2-E183 HydrophobicContact CG2-CB 4.19Å; T2-E183 HydrophobicContact CG2-CG 4.29Å; T2-F184 CarbonylContact C-O 3.55Å; T2-F184 WeakPolarHBondContact CA-O 3.27Å
3L98Very high94.7Very high4 Ų470.5 Ų70.52%0.02132%0.316CS..Hα-helixtrans-60.2-45.4176.6175.652.9000111.4R5 F6 V7 Q29 I164 L166 F175 F184L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 2.88Å; L3-F6 HydrophobicContact CD1-CD1 4.41Å; L3-F6 WeakPolarHBondContact O-CB 3.44Å; L3-F6 PolarHBondContact O-N 3.01Å; L3-F6 VanDerWaalsContact O-N 3.13Å; L3-V7 HydrophobicContact CD1-CG2 3.82Å; L3-V7 HydrophobicContact CG-CG2 4.49Å; L3-V7 WeakPolarHBondContact O-CG2 3.03Å; L3-V7 PolarHBondContact O-N 3.5Å; L3-Q29 HydrophobicContact CD2-CG 3.51Å; L3-Q29 HydrophobicContact CG-CG 4.27Å; L3-I164 HydrophobicContact CD2-CB 4.5Å; L3-I164 HydrophobicContact CD2-CD1 4.05Å; L3-I164 HydrophobicContact CD2-CG2 4.2Å; L3-L166 HydrophobicContact CD1-CD2 3.8Å; L3-F175 HydrophobicContact CB-CD1 3.71Å; L3-F175 HydrophobicContact CB-CE1 4.03Å; L3-F175 HydrophobicContact CB-CG 4.14Å; L3-F175 HydrophobicContact CD1-CD1 4.04Å; L3-F175 HydrophobicContact CD1-CD2 3.94Å; L3-F175 HydrophobicContact CD1-CE1 3.74Å; L3-F175 HydrophobicContact CD1-CE2 3.66Å; L3-F175 HydrophobicContact CD1-CG 4.15Å; L3-F175 HydrophobicContact CD1-CZ 3.56Å; L3-F175 HydrophobicContact CD2-CG 4.47Å; L3-F175 HydrophobicContact CG-CD1 4.37Å; L3-F175 HydrophobicContact CG-CE1 4.47Å; L3-F175 HydrophobicContact CG-CG 4.48Å; L3-F184 HydrophobicContact CB-CB 3.74Å; L3-F184 HydrophobicContact CD2-CB 4.15Å; L3-F184 HydrophobicContact CD2-CG 4.43Å; L3-F184 PolarHBondContact N-O 3.44Å
4T96.8Very high94.2Very high39 Ų3974.2 Ų74.224%0.23933%0.332CS..Hα-helixtrans-56.3-45173.6-58.40000111.8V7 L8 N26T4-V7 PolarHBondContact O-N 3.28Å; T4-L8 HydrophobicContact CG2-CD1 4.24Å; T4-L8 VanDerWaalsContact O-CG 3.29Å; T4-L8 WeakPolarHBondContact O-CG 3.49Å; T4-L8 PolarHBondContact O-N 3.37Å; T4-L8 VanDerWaalsContact O-N 3.08Å; T4-N26 PolarHBondContact OG1-OD1 2.88Å
5R96.9Very high93.5Very high145 Ų14584.1 Ų84.155%0.54737%0.374SS..Hα-helixtrans-64.8-40.9176.8179.1176.1169.8-179.3-0.5112.1M1 T2 L3 L8 Q9M1-R5 HydrophobicContact CG-CG 4.39Å; T2-R5 PolarHBondContact O-N 3.28Å; T2-R5 WeakPolarHBondContact OG1-CB 3.46Å; T2-R5 PolarHBondContact OG1-N 3.46Å; L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 2.88Å; R5-L8 PolarHBondContact O-N 3.49Å; R5-Q9 WeakPolarHBondContact O-CG 3.48Å; R5-Q9 PolarHBondContact O-N 3.27Å
6F97.3Very high92.9Very high16 Ų1685.9 Ų85.97%0.0740%0.4CS..Hα-helixtrans-60.3-50.2177.4173.1-93000111.1M1 T2 L3 L8 Q9 E10 L168 N173 F175M1-F6 HydrophobicContact CE-CD2 3.78Å; M1-F6 HydrophobicContact CG-CB 4.32Å; M1-F6 HydrophobicContact SD-CB 4.4Å; M1-F6 HydrophobicContact SD-CD2 4.42Å; T2-F6 WeakPolarHBondContact O-CB 3.47Å; T2-F6 PolarHBondContact O-N 3.31Å; L3-F6 HydrophobicContact CD1-CD1 4.41Å; L3-F6 WeakPolarHBondContact O-CB 3.44Å; L3-F6 PolarHBondContact O-N 3.01Å; L3-F6 VanDerWaalsContact O-N 3.13Å; F6-L8 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 3.11Å; F6-Q9 WeakPolarHBondContact O-CB 3.31Å; F6-Q9 PolarHBondContact O-N 2.87Å; F6-E10 HydrophobicContact CD1-CG 4.24Å; F6-E10 HydrophobicContact CE1-CG 3.74Å; F6-E10 HydrophobicContact CE2-CG 4.25Å; F6-E10 HydrophobicContact CZ-CG 3.75Å; F6-E10 PolarHBondContact O-N 2.68Å; F6-L168 HydrophobicContact CE1-CD1 4.18Å; F6-N173 HydrophobicContact CZ-CB 4.37Å; F6-N173 WeakPolarHBondContact CZ-ND2 3.39Å; F6-F175 HydrophobicContact CB-CE1 3.91Å; F6-F175 HydrophobicContact CB-CZ 4.14Å; F6-F175 HydrophobicContact CD1-CE1 4.22Å; F6-F175 AromaticContact CD1-CZ 3.57Å; F6-F175 HydrophobicContact CD1-CZ 3.57Å; F6-F175 HydrophobicContact CD2-CZ 4.28Å; F6-F175 AromaticContact CE1-CZ 4Å; F6-F175 HydrophobicContact CE1-CZ 4Å; F6-F175 AromaticContact CG-CE1 3.98Å; F6-F175 HydrophobicContact CG-CE1 3.98Å; F6-F175 AromaticContact CG-CZ 3.72Å; F6-F175 HydrophobicContact CG-CZ 3.72Å
7V95.4Very high92.5Very high6 Ų683.3 Ų83.34%0.03640%0.397CS..Hα-helixtrans-60.7-41.7179.3172.50000111.4L3 T4 Q9 E10 Q11 S22 L25 L166L3-V7 HydrophobicContact CD1-CG2 3.82Å; L3-V7 HydrophobicContact CG-CG2 4.49Å; L3-V7 WeakPolarHBondContact O-CG2 3.03Å; L3-V7 PolarHBondContact O-N 3.5Å; T4-V7 PolarHBondContact O-N 3.28Å; V7-Q9 VanDerWaalsContact C-N 3.3Å; V7-Q9 PolarHBondContact O-N 3Å; V7-E10 PolarHBondContact O-N 2.8Å; V7-Q11 WeakPolarHBondContact O-CB 3.39Å; V7-Q11 PolarHBondContact O-N 2.86Å; V7-S22 WeakPolarHBondContact CG1-OG 3.28Å; V7-L25 HydrophobicContact CG1-CD1 3.87Å; V7-L25 HydrophobicContact CG2-CD1 3.92Å; V7-L166 HydrophobicContact CG2-CD2 4.28Å
8L94.7Very high92.4Very high80 Ų8083.7 Ų83.742%0.41941%0.406SS..Hα-helixtrans-63.8-34.2174.8-70.6173.1000112.8T4 R5 F6 R12T4-L8 HydrophobicContact CG2-CD1 4.24Å; T4-L8 VanDerWaalsContact O-CG 3.29Å; T4-L8 WeakPolarHBondContact O-CG 3.49Å; T4-L8 PolarHBondContact O-N 3.37Å; T4-L8 VanDerWaalsContact O-N 3.08Å; R5-L8 PolarHBondContact O-N 3.49Å; F6-L8 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 3.11Å; L8-R12 WeakPolarHBondContact O-CG 3.46Å; L8-R12 PolarHBondContact O-N 3.25Å
9Q94.3Very high92.5Very high80 Ų8080.2 Ų80.237%0.37439%0.394SS..Hα-helixtrans-70.6-40.2174.3-76.3-176.6-21.500112M1 R5 F6 V7 R12M1-Q9 PolarHBondContact SD-OE1 2.96Å; R5-Q9 WeakPolarHBondContact O-CG 3.48Å; R5-Q9 PolarHBondContact O-N 3.27Å; F6-Q9 WeakPolarHBondContact O-CB 3.31Å; F6-Q9 PolarHBondContact O-N 2.87Å; V7-Q9 VanDerWaalsContact C-N 3.3Å; V7-Q9 PolarHBondContact O-N 3Å; Q9-R12 PolarHBondContact O-N 3.41Å
10E93.4Very high92.7Very high24 Ų2478.3 Ų78.311%0.11239%0.385CS..Hα-helixtrans-64.6-43.1174.1-68.5-53.7126.700111.6F6 V7 R12 K13 F14 L168F6-E10 HydrophobicContact CD1-CG 4.24Å; F6-E10 HydrophobicContact CE1-CG 3.74Å; F6-E10 HydrophobicContact CE2-CG 4.25Å; F6-E10 HydrophobicContact CZ-CG 3.75Å; F6-E10 PolarHBondContact O-N 2.68Å; V7-E10 PolarHBondContact O-N 2.8Å; E10-R12 VanDerWaalsContact C-N 3.25Å; E10-R12 PolarHBondContact O-N 3.38Å; E10-K13 VanDerWaalsContact O-CB 3.29Å; E10-K13 WeakPolarHBondContact O-CB 3.24Å; E10-K13 PolarHBondContact O-N 3.25Å; E10-K13 WeakPolarHBondContact OE1-CE 3.35Å; E10-K13 IonicContact OE1-NZ 3.98Å; E10-K13 PolarHBondContact OE1-NZ 3.45Å; E10-K13 WeakPolarHBondContact OE2-CE 3.37Å; E10-K13 IonicContact OE2-NZ 2.67Å; E10-K13 PolarHBondContact OE2-NZ 3.03Å; E10-F14 WeakPolarHBondContact O-CD2 3.48Å; E10-L168 HydrophobicContact CB-CD1 4.24Å; E10-L168 HydrophobicContact CG-CD1 4.21Å
11Q91.3Very high92.8Very high46 Ų4676.3 Ų76.322%0.21538%0.376CS..Hα-helixtrans-54.3-42176.9-176.2-171-34.500111.9V7 K13 F14 A17 S22V7-Q11 WeakPolarHBondContact O-CB 3.39Å; V7-Q11 PolarHBondContact O-N 2.86Å; Q11-K13 PolarHBondContact O-N 2.89Å; Q11-K13 VanDerWaalsContact O-N 3.09Å; Q11-F14 PolarHBondContact O-N 3.04Å; Q11-A17 HydrophobicContact CG-CB 3.68Å; Q11-A17 PolarHBondContact NE2-O 3.26Å; Q11-S22 PolarHBondContact OE1-OG 3.05Å
12R91.3Very high93Very high213 Ų21372.7 Ų72.780%0.80436%0.359SS*.THydrogen-bonded Turntrans-61.6-18.8-179.3-73.7174.3-177-164.40.2113.8L8 Q9 E10 F14L8-R12 WeakPolarHBondContact O-CG 3.46Å; L8-R12 PolarHBondContact O-N 3.25Å; Q9-R12 PolarHBondContact O-N 3.41Å; E10-R12 VanDerWaalsContact C-N 3.25Å; E10-R12 PolarHBondContact O-N 3.38Å; R12-F14 PolarHBondContact O-N 2.92Å
13K90.1Very high92.9Very high136 Ų13675 Ų7559%0.59137%0.367SS*.THydrogen-bonded Turntrans-73.1-17.9175-57179.7-173.2168.90112.4E10 Q11E10-K13 VanDerWaalsContact O-CB 3.29Å; E10-K13 WeakPolarHBondContact O-CB 3.24Å; E10-K13 PolarHBondContact O-N 3.25Å; E10-K13 WeakPolarHBondContact OE1-CE 3.35Å; E10-K13 IonicContact OE1-NZ 3.98Å; E10-K13 PolarHBondContact OE1-NZ 3.45Å; E10-K13 WeakPolarHBondContact OE2-CE 3.37Å; E10-K13 IonicContact OE2-NZ 2.67Å; E10-K13 PolarHBondContact OE2-NZ 3.03Å; Q11-K13 PolarHBondContact O-N 2.89Å; Q11-K13 VanDerWaalsContact O-N 3.09Å
14F87.4Confident93Very high122 Ų12274.8 Ų74.854%0.53537%0.366SS..  trans-113.3104.7-177-61.3-85.9000111E10 Q11 R12 S16 A17E10-F14 WeakPolarHBondContact O-CD2 3.48Å; Q11-F14 PolarHBondContact O-N 3.04Å; R12-F14 PolarHBondContact O-N 2.92Å; F14-S16 PolarHBondContact O-N 2.83Å; F14-S16 VanDerWaalsContact O-N 3.12Å; F14-A17 HydrophobicContact CB-CB 3.87Å; F14-A17 WeakPolarHBondContact O-CB 3.42Å; F14-A17 PolarHBondContact O-N 3.1Å
15K83.3Confident93Very high223 Ų22373.2 Ų73.297%0.9736%0.356SS*.THydrogen-bonded Turntrans-58.9-27.2-177.4-67-174.8179.5-179.70114.2
16S84.7Confident93.1Very high112 Ų11268.9 Ų68.978%0.78334%0.344SS*.THydrogen-bonded Turntrans-90-0.8179.954.30000114F14 T18F14-S16 PolarHBondContact O-N 2.83Å; F14-S16 VanDerWaalsContact O-N 3.12Å; S16-T18 PolarHBondContact O-N 3.05Å
17A85.6Confident93.1Very high42 Ų4268.8 Ų68.835%0.34735%0.345SS..  trans-77.6114.3-176.900000111.6Q11 F14 G19Q11-A17 HydrophobicContact CG-CB 3.68Å; Q11-A17 PolarHBondContact NE2-O 3.26Å; F14-A17 HydrophobicContact CB-CB 3.87Å; F14-A17 WeakPolarHBondContact O-CB 3.42Å; F14-A17 PolarHBondContact O-N 3.1Å; A17-G19 VanDerWaalsContact C-N 3.33Å; A17-G19 PolarHBondContact O-N 3.38Å
18T90.4Very high93.3Very high91 Ų9168.7 Ų68.756%0.55834%0.344SS*.  trans-73.8-20.6-178.455.10000114S16 D20 K103S16-T18 PolarHBondContact O-N 3.05Å; T18-D20 WeakPolarHBondContact CB-OD1 3.32Å; T18-D20 PolarHBondContact OG1-OD1 2.83Å; T18-D20 PolarHBondContact OG1-OD2 3.05Å; T18-K103 PolarHBondContact OG1-NZ 2.85Å
19G94.2Very high93.5Very high17 Ų1765.3 Ų65.318%0.17533%0.326CS..SBendtrans106.2-9.6-174.100000114.3A17 L21 S22 Q23A17-G19 VanDerWaalsContact C-N 3.33Å; A17-G19 PolarHBondContact O-N 3.38Å; G19-L21 VanDerWaalsContact C-N 3.33Å; G19-L21 PolarHBondContact O-N 3.32Å; G19-S22 WeakPolarHBondContact O-CA 3.33Å; G19-S22 VanDerWaalsContact O-CB 3.27Å; G19-S22 WeakPolarHBondContact O-CB 3.35Å; G19-S22 PolarHBondContact O-N 3.22Å; G19-Q23 PolarHBondContact O-N 3.25Å
20D96.1Very high93.6Very high42 Ų4264.5 Ų64.523%0.22533%0.327CS..Hα-helixtrans-56.6-44.4-177.5-56.115.3000112T18 S22 Q23 L24 T81 K103 Y104T18-D20 WeakPolarHBondContact CB-OD1 3.32Å; T18-D20 PolarHBondContact OG1-OD1 2.83Å; T18-D20 PolarHBondContact OG1-OD2 3.05Å; D20-S22 VanDerWaalsContact C-N 3.26Å; D20-S22 PolarHBondContact O-N 2.99Å; D20-Q23 PolarHBondContact O-N 3.17Å; D20-L24 WeakPolarHBondContact O-CB 3.48Å; D20-L24 PolarHBondContact O-N 2.73Å; D20-T81 HydrophobicContact CB-CG2 3.78Å; D20-T81 WeakPolarHBondContact O-CG2 3.2Å; D20-K103 IonicContact OD1-NZ 2.76Å; D20-K103 WeakPolarHBondContact OD2-CE 3.42Å; D20-K103 IonicContact OD2-NZ 3.76Å; D20-K103 PolarHBondContact OD2-NZ 3.05Å; D20-Y104 HydrophobicContact CB-CD2 4.44Å; D20-Y104 HydrophobicContact CB-CE2 3.69Å
21L96.3Very high93.9Very high37 Ų3763.4 Ų63.419%0.19432%0.322CS..Hα-helixtrans-63.6-35.4177.3-174.958.3000111.8G19 L24 L25 Y104 I129 A152G19-L21 VanDerWaalsContact C-N 3.33Å; G19-L21 PolarHBondContact O-N 3.32Å; L21-L24 HydrophobicContact CD1-CD2 4.32Å; L21-L24 PolarHBondContact O-N 3.21Å; L21-L25 HydrophobicContact CD1-CD1 4.36Å; L21-L25 HydrophobicContact CD1-CG 4.29Å; L21-L25 HydrophobicContact CG-CD1 4.03Å; L21-L25 HydrophobicContact CG-CG 4.42Å; L21-L25 WeakPolarHBondContact O-CB 3.22Å; L21-L25 VanDerWaalsContact O-CG 3.24Å; L21-L25 WeakPolarHBondContact O-CG 3.24Å; L21-L25 PolarHBondContact O-N 3.02Å; L21-Y104 HydrophobicContact CB-CE2 4.09Å; L21-I129 HydrophobicContact CD1-CD1 4.09Å; L21-I129 HydrophobicContact CD1-CG2 4.25Å; L21-A152 HydrophobicContact CD1-CB 4.43Å
22S96.7Very high94.2Very high10 Ų1061.2 Ų61.27%0.0731%0.312CS..Hα-helixtrans-66.6-40.9177.2-53.60000111.4V7 Q11 G19 D20 N26V7-S22 WeakPolarHBondContact CG1-OG 3.28Å; Q11-S22 PolarHBondContact OE1-OG 3.05Å; G19-S22 WeakPolarHBondContact O-CA 3.33Å; G19-S22 VanDerWaalsContact O-CB 3.27Å; G19-S22 WeakPolarHBondContact O-CB 3.35Å; G19-S22 PolarHBondContact O-N 3.22Å; D20-S22 VanDerWaalsContact C-N 3.26Å; D20-S22 PolarHBondContact O-N 2.99Å; S22-N26 VanDerWaalsContact O-CG 3.31Å; S22-N26 PolarHBondContact O-N 2.98Å; S22-N26 PolarHBondContact O-ND2 3.45Å
23Q97.6Very high94.6Very high90 Ų9053.6 Ų53.642%0.42129%0.285SS..Hα-helixtrans-64.3-46173.8-178.8167.82.100111.3G19 D20 L25 N26 S27 S79 T81G19-Q23 PolarHBondContact O-N 3.25Å; D20-Q23 PolarHBondContact O-N 3.17Å; Q23-L25 PolarHBondContact O-N 2.88Å; Q23-N26 WeakPolarHBondContact O-CB 3.49Å; Q23-N26 PolarHBondContact O-N 2.97Å; Q23-N26 VanDerWaalsContact O-N 3.14Å; Q23-S27 PolarHBondContact O-N 3.47Å; Q23-S79 PolarHBondContact NE2-O 3.15Å; Q23-T81 HydrophobicContact CB-CG2 4.07Å; Q23-T81 HydrophobicContact CG-CG2 4.13Å
24L98.4Very high95Very high0 Ų048.9 Ų48.90%027%0.271CS..Hα-helixtrans-55.9-48.6175.5-176.952000112.2D20 L21 N26 S27 I28 L76 T81 T82 Y104 V106 I129D20-L24 WeakPolarHBondContact O-CB 3.48Å; D20-L24 PolarHBondContact O-N 2.73Å; L21-L24 HydrophobicContact CD1-CD2 4.32Å; L21-L24 PolarHBondContact O-N 3.21Å; L24-N26 VanDerWaalsContact C-N 3.29Å; L24-N26 PolarHBondContact O-N 2.86Å; L24-S27 WeakPolarHBondContact O-CB 3.42Å; L24-S27 PolarHBondContact O-N 3.3Å; L24-S27 VanDerWaalsContact O-N 3.17Å; L24-I28 HydrophobicContact CD1-CD1 4.28Å; L24-I28 HydrophobicContact CG-CD1 4.13Å; L24-I28 WeakPolarHBondContact O-CG1 3.49Å; L24-I28 PolarHBondContact O-N 2.86Å; L24-L76 HydrophobicContact CD1-CD2 3.45Å; L24-L76 VanDerWaalsContact CD1-CD2 3.45Å; L24-T81 WeakPolarHBondContact CB-OG1 3.5Å; L24-T82 WeakPolarHBondContact CD1-OG1 3.49Å; L24-Y104 HydrophobicContact CD2-CD2 3.84Å; L24-Y104 HydrophobicContact CD2-CG 3.85Å; L24-V106 HydrophobicContact CD1-CG2 4.13Å; L24-V106 HydrophobicContact CD2-CG2 4.09Å; L24-I129 HydrophobicContact CD2-CD1 3.9Å; L24-I129 HydrophobicContact CD2-CG1 4.33Å; L24-I129 HydrophobicContact CD2-CG2 3.72Å; L24-I129 HydrophobicContact CG-CD1 4.26Å
25L98.3Very high95.4Very high6 Ų643.2 Ų43.23%0.03125%0.246CC..Hα-helixtrans-66-30.9178.9-70.1169.8000112.3V7 L21 Q23 I28 Q29 F127 I129 L166 L168V7-L25 HydrophobicContact CG1-CD1 3.87Å; V7-L25 HydrophobicContact CG2-CD1 3.92Å; L21-L25 HydrophobicContact CD1-CD1 4.36Å; L21-L25 HydrophobicContact CD1-CG 4.29Å; L21-L25 HydrophobicContact CG-CD1 4.03Å; L21-L25 HydrophobicContact CG-CG 4.42Å; L21-L25 WeakPolarHBondContact O-CB 3.22Å; L21-L25 VanDerWaalsContact O-CG 3.24Å; L21-L25 WeakPolarHBondContact O-CG 3.24Å; L21-L25 PolarHBondContact O-N 3.02Å; Q23-L25 PolarHBondContact O-N 2.88Å; L25-I28 HydrophobicContact CD2-CD1 4.5Å; L25-Q29 WeakPolarHBondContact O-CB 3.19Å; L25-Q29 VanDerWaalsContact O-CG 3.22Å; L25-Q29 WeakPolarHBondContact O-CG 3.29Å; L25-Q29 PolarHBondContact O-N 3.19Å; L25-Q29 PolarHBondContact O-NE2 3.35Å; L25-F127 HydrophobicContact CD2-CE2 4.25Å; L25-I129 HydrophobicContact CD2-CD1 4Å; L25-L166 HydrophobicContact CD1-CD2 4.36Å; L25-L166 HydrophobicContact CD2-CD1 3.85Å; L25-L168 HydrophobicContact CD1-CD2 3.92Å
26N97.9Very high96.1Very high53 Ų5332.7 Ų32.728%0.28320%0.201SC..Hα-helixtrans-69.4-38.3172.1-74.2-30.3000112T4 S22 Q23 L24 Q29 T30T4-N26 PolarHBondContact OG1-OD1 2.88Å; S22-N26 VanDerWaalsContact O-CG 3.31Å; S22-N26 PolarHBondContact O-N 2.98Å; S22-N26 PolarHBondContact O-ND2 3.45Å; Q23-N26 WeakPolarHBondContact O-CB 3.49Å; Q23-N26 PolarHBondContact O-N 2.97Å; Q23-N26 VanDerWaalsContact O-N 3.14Å; L24-N26 VanDerWaalsContact C-N 3.29Å; L24-N26 PolarHBondContact O-N 2.86Å; N26-Q29 PolarHBondContact O-N 3.13Å; N26-Q29 PolarHBondContact OD1-NE2 3.03Å; N26-Q29 VanDerWaalsContact OD1-NE2 3.07Å; N26-T30 PolarHBondContact O-N 3.41Å; N26-T30 PolarHBondContact O-OG1 3.36Å
27S98.4Very high96.7Very high15 Ų1529.9 Ų29.911%0.10518%0.181CC..Hα-helixtrans-61.8-46172-76.10000111.7Q23 L24 Q29 T30 A31 M75 S79Q23-S27 PolarHBondContact O-N 3.47Å; L24-S27 WeakPolarHBondContact O-CB 3.42Å; L24-S27 PolarHBondContact O-N 3.3Å; L24-S27 VanDerWaalsContact O-N 3.17Å; S27-Q29 PolarHBondContact O-N 3.21Å; S27-T30 WeakPolarHBondContact O-CB 3.18Å; S27-T30 PolarHBondContact O-N 3.04Å; S27-T30 VanDerWaalsContact O-N 3.11Å; S27-A31 PolarHBondContact O-N 2.83Å; S27-M75 WeakPolarHBondContact CB-O 3.38Å; S27-M75 PolarHBondContact OG-O 2.91Å; S27-S79 WeakPolarHBondContact OG-CB 3.43Å
28I98.6Very high97.1Very high3 Ų328.7 Ų28.72%0.01517%0.171CC..Hα-helixtrans-61.2-45.1176.4-69165.1000110.9L24 L25 T30 A31 I32 F72 L76 F127 I129L24-I28 HydrophobicContact CD1-CD1 4.28Å; L24-I28 HydrophobicContact CG-CD1 4.13Å; L24-I28 WeakPolarHBondContact O-CG1 3.49Å; L24-I28 PolarHBondContact O-N 2.86Å; L25-I28 HydrophobicContact CD2-CD1 4.5Å; I28-T30 PolarHBondContact O-N 3.46Å; I28-A31 PolarHBondContact O-N 2.91Å; I28-I32 HydrophobicContact CG2-CD1 3.51Å; I28-I32 HydrophobicContact CG2-CG1 4.31Å; I28-I32 WeakPolarHBondContact O-CB 3.4Å; I28-I32 WeakPolarHBondContact O-CD1 3.47Å; I28-I32 VanDerWaalsContact O-CG1 3.25Å; I28-I32 WeakPolarHBondContact O-CG1 3.27Å; I28-I32 PolarHBondContact O-N 2.84Å; I28-F72 HydrophobicContact CG2-CE1 4.34Å; I28-L76 HydrophobicContact CD1-CD2 4.27Å; I28-L76 HydrophobicContact CG1-CD2 3.76Å; I28-F127 HydrophobicContact CD1-CD2 4.01Å; I28-F127 HydrophobicContact CD1-CE2 4.28Å; I28-F127 HydrophobicContact CD1-CG 4.42Å; I28-F127 HydrophobicContact CG2-CD1 3.95Å; I28-F127 HydrophobicContact CG2-CE1 3.84Å; I28-F127 HydrophobicContact CG2-CE2 4.48Å; I28-F127 HydrophobicContact CG2-CG 4.32Å; I28-F127 HydrophobicContact CG2-CZ 4.11Å; I28-I129 HydrophobicContact CD1-CD1 3.81Å; I28-I129 HydrophobicContact CD1-CG1 4.48Å
29Q98.3Very high97.4Very high9 Ų925.7 Ų25.74%0.04215%0.153CC..Hα-helixtrans-56.2-40.5173.9-78.417084.600112.1L3 L25 N26 S27 I32 K33 I164 F184L3-Q29 HydrophobicContact CD2-CG 3.51Å; L3-Q29 HydrophobicContact CG-CG 4.27Å; L25-Q29 WeakPolarHBondContact O-CB 3.19Å; L25-Q29 VanDerWaalsContact O-CG 3.22Å; L25-Q29 WeakPolarHBondContact O-CG 3.29Å; L25-Q29 PolarHBondContact O-N 3.19Å; L25-Q29 PolarHBondContact O-NE2 3.35Å; N26-Q29 PolarHBondContact O-N 3.13Å; N26-Q29 PolarHBondContact OD1-NE2 3.03Å; N26-Q29 VanDerWaalsContact OD1-NE2 3.07Å; S27-Q29 PolarHBondContact O-N 3.21Å; Q29-I32 PolarHBondContact O-N 2.8Å; Q29-K33 VanDerWaalsContact O-CG 3.31Å; Q29-K33 WeakPolarHBondContact O-CG 3.22Å; Q29-K33 PolarHBondContact O-N 2.79Å; Q29-I164 HydrophobicContact CG-CD1 4.05Å; Q29-F184 HydrophobicContact CB-CD2 4.45Å; Q29-F184 HydrophobicContact CB-CE2 4.41Å; Q29-F184 HydrophobicContact CG-CD2 4.18Å; Q29-F184 HydrophobicContact CG-CE2 4.44Å
30T98.4Very high97.4Very high64 Ų6430.2 Ų30.239%0.39317%0.165SC..Hα-helixtrans-67.6-45179.9-57.40000111.4N26 S27 I28 I32 K33 A34 M75N26-T30 PolarHBondContact O-N 3.41Å; N26-T30 PolarHBondContact O-OG1 3.36Å; S27-T30 WeakPolarHBondContact O-CB 3.18Å; S27-T30 PolarHBondContact O-N 3.04Å; S27-T30 VanDerWaalsContact O-N 3.11Å; I28-T30 PolarHBondContact O-N 3.46Å; T30-I32 VanDerWaalsContact C-N 3.33Å; T30-I32 PolarHBondContact O-N 3.38Å; T30-K33 PolarHBondContact O-N 3.07Å; T30-A34 PolarHBondContact O-N 3.08Å; T30-M75 HydrophobicContact CG2-SD 3.78Å
31A98.6Very high97.1Very high1 Ų133.3 Ų33.31%0.00818%0.176CC..Hα-helixtrans-56.9-47.917300000111.1S27 I28 K33 A34 T35 F72 M75S27-A31 PolarHBondContact O-N 2.83Å; I28-A31 PolarHBondContact O-N 2.91Å; A31-K33 PolarHBondContact O-N 3Å; A31-A34 PolarHBondContact O-N 3.05Å; A31-A34 VanDerWaalsContact O-N 3.15Å; A31-T35 PolarHBondContact O-N 3.14Å; A31-T35 PolarHBondContact O-OG1 2.96Å; A31-T35 VanDerWaalsContact O-OG1 3.1Å; A31-F72 HydrophobicContact CB-CD1 4.4Å; A31-F72 HydrophobicContact CB-CD2 3.92Å; A31-F72 HydrophobicContact CB-CE2 4.06Å; A31-F72 HydrophobicContact CB-CG 4.11Å; A31-F72 HydrophobicContact CB-CZ 4.36Å; A31-M75 HydrophobicContact CB-CB 4.08Å; A31-M75 HydrophobicContact CB-CG 3.97Å
32I98.7Very high96.8Very high0 Ų031.8 Ų31.80%017%0.168CC..Hα-helixtrans-60.8-41.5178.4-67.9162.7000111.6I28 Q29 T30 A34 T35 S36 F72 F127 A156 Y158 T162 I164 F184I28-I32 HydrophobicContact CG2-CD1 3.51Å; I28-I32 HydrophobicContact CG2-CG1 4.31Å; I28-I32 WeakPolarHBondContact O-CB 3.4Å; I28-I32 WeakPolarHBondContact O-CD1 3.47Å; I28-I32 VanDerWaalsContact O-CG1 3.25Å; I28-I32 WeakPolarHBondContact O-CG1 3.27Å; I28-I32 PolarHBondContact O-N 2.84Å; Q29-I32 PolarHBondContact O-N 2.8Å; T30-I32 VanDerWaalsContact C-N 3.33Å; T30-I32 PolarHBondContact O-N 3.38Å; I32-A34 VanDerWaalsContact C-N 3.34Å; I32-A34 PolarHBondContact O-N 2.64Å; I32-T35 PolarHBondContact O-N 3.48Å; I32-S36 WeakPolarHBondContact O-CB 3.42Å; I32-S36 PolarHBondContact O-N 3.22Å; I32-F72 HydrophobicContact CG1-CE2 4.48Å; I32-F72 HydrophobicContact CG1-CZ 3.86Å; I32-F127 HydrophobicContact CD1-CE1 4.28Å; I32-A156 HydrophobicContact CB-CB 4.34Å; I32-A156 HydrophobicContact CD1-CB 3.91Å; I32-A156 HydrophobicContact CG1-CB 3.89Å; I32-A156 HydrophobicContact CG2-CB 3.47Å; I32-A156 VanDerWaalsContact CG2-CB 3.47Å; I32-Y158 HydrophobicContact CG2-CE1 3.93Å; I32-T162 HydrophobicContact CG2-CG2 4.47Å; I32-I164 HydrophobicContact CB-CD1 4.36Å; I32-I164 HydrophobicContact CD1-CD1 3.54Å; I32-I164 HydrophobicContact CD1-CG1 3.95Å; I32-I164 HydrophobicContact CG2-CD1 4.07Å; I32-I164 HydrophobicContact CG2-CG1 4.16Å; I32-F184 HydrophobicContact CG2-CE2 4.46Å; I32-F184 HydrophobicContact CG2-CZ 3.78Å
33K98.6Very high96.2Very high53 Ų5333.5 Ų33.523%0.2319%0.188CC..Hα-helixtrans-63.1-40.9176.1-73.1-173.6-60.4-170.60111.9Q29 T30 A31 S36 S37 Y177 G182 F184Q29-K33 VanDerWaalsContact O-CG 3.31Å; Q29-K33 WeakPolarHBondContact O-CG 3.22Å; Q29-K33 PolarHBondContact O-N 2.79Å; T30-K33 PolarHBondContact O-N 3.07Å; A31-K33 PolarHBondContact O-N 3Å; K33-S36 WeakPolarHBondContact O-CB 3.33Å; K33-S37 WeakPolarHBondContact O-CB 3.23Å; K33-S37 PolarHBondContact O-N 3.24Å; K33-Y177 HydrophobicContact CD-CD2 4.3Å; K33-Y177 HydrophobicContact CD-CE2 3.43Å; K33-Y177 VanDerWaalsContact CD-CE2 3.43Å; K33-Y177 HydrophobicContact CG-CD2 4.19Å; K33-Y177 HydrophobicContact CG-CE2 3.56Å; K33-G182 VanDerWaalsContact CD-O 3.28Å; K33-G182 WeakPolarHBondContact CD-O 3.27Å; K33-G182 PolarHBondContact NZ-O 3.08Å; K33-F184 HydrophobicContact CD-CE2 4.24Å; K33-F184 HydrophobicContact CG-CE2 3.7Å; K33-F184 HydrophobicContact CG-CZ 4.26Å
34A97.9Very high95.6Very high37 Ų3736.3 Ų36.331%0.30620%0.204SC..Hα-helixtrans-65.6-48.8177.100000111.4T30 A31 I32 S36 S37 A38 L71T30-A34 PolarHBondContact O-N 3.08Å; A31-A34 PolarHBondContact O-N 3.05Å; A31-A34 VanDerWaalsContact O-N 3.15Å; I32-A34 VanDerWaalsContact C-N 3.34Å; I32-A34 PolarHBondContact O-N 2.64Å; A34-S36 PolarHBondContact O-N 3.39Å; A34-S37 WeakPolarHBondContact O-CB 2.95Å; A34-S37 PolarHBondContact O-N 2.88Å; A34-S37 VanDerWaalsContact O-N 3.17Å; A34-A38 PolarHBondContact O-N 2.98Å; A34-L71 HydrophobicContact CB-CD1 3.77Å; A34-L71 HydrophobicContact CB-CD2 3.9Å; A34-L71 HydrophobicContact CB-CG 4.41Å
35T97.6Very high94.8Very high3 Ų339 Ų392%0.01823%0.227CC..Hα-helixtrans-59.6-46.8175.7-56.70000111.2A31 I32 S37 A38 V39 L111 Y158A31-T35 PolarHBondContact O-N 3.14Å; A31-T35 PolarHBondContact O-OG1 2.96Å; A31-T35 VanDerWaalsContact O-OG1 3.1Å; I32-T35 PolarHBondContact O-N 3.48Å; T35-S37 VanDerWaalsContact C-N 3.27Å; T35-S37 PolarHBondContact O-N 3.42Å; T35-A38 WeakPolarHBondContact O-CB 3.44Å; T35-A38 PolarHBondContact O-N 2.98Å; T35-V39 HydrophobicContact CG2-CG2 4.16Å; T35-V39 WeakPolarHBondContact O-CG2 3.49Å; T35-V39 PolarHBondContact O-N 3.23Å; T35-L111 HydrophobicContact CG2-CD1 4Å; T35-Y158 HydrophobicContact CG2-CE1 4.46Å; T35-Y158 HydrophobicContact CG2-CE2 3.8Å
36S97.8Very high94Very high1 Ų146.8 Ų46.81%0.00726%0.26CS..Hα-helixtrans-53.6-39.5174.6169.20000113.4I32 K33 A34 R40 T162I32-S36 WeakPolarHBondContact O-CB 3.42Å; I32-S36 PolarHBondContact O-N 3.22Å; K33-S36 WeakPolarHBondContact O-CB 3.33Å; A34-S36 PolarHBondContact O-N 3.39Å; S36-R40 WeakPolarHBondContact O-CD 3.45Å; S36-R40 WeakPolarHBondContact O-CG 3.49Å; S36-R40 PolarHBondContact O-N 3.29Å; S36-R40 PolarHBondContact O-NH1 2.78Å; S36-R40 PolarHBondContact OG-NH1 2.81Å; S36-T162 PolarHBondContact OG-OG1 3.42Å
37S96.5Very high93Very high54 Ų5446 Ų4638%0.37826%0.256SS..Hα-helixtrans-71.6-40.3175.5-173.90000112.1K33 A34 T35 K41K33-S37 WeakPolarHBondContact O-CB 3.23Å; K33-S37 PolarHBondContact O-N 3.24Å; A34-S37 WeakPolarHBondContact O-CB 2.95Å; A34-S37 PolarHBondContact O-N 2.88Å; A34-S37 VanDerWaalsContact O-N 3.17Å; T35-S37 VanDerWaalsContact C-N 3.27Å; T35-S37 PolarHBondContact O-N 3.42Å; S37-K41 WeakPolarHBondContact O-CE 3.41Å; S37-K41 WeakPolarHBondContact OG-CE 3.2Å; S37-K41 PolarHBondContact OG-NZ 3.29Å
38A94.9Very high91.6Very high16 Ų1648 Ų4813%0.13226%0.264CS..Hα-helixtrans-65.6-48.6177.100000111.7A34 T35 R40 K41 A42 L47 L64 L67A34-A38 PolarHBondContact O-N 2.98Å; T35-A38 WeakPolarHBondContact O-CB 3.44Å; T35-A38 PolarHBondContact O-N 2.98Å; A38-R40 VanDerWaalsContact C-N 3.35Å; A38-R40 PolarHBondContact O-N 3.12Å; A38-K41 CarbonylContact O-C 3.52Å; A38-K41 PolarHBondContact O-N 3.43Å; A38-A42 WeakPolarHBondContact O-CA 3.46Å; A38-A42 PolarHBondContact O-N 3.11Å; A38-L47 HydrophobicContact CB-CD1 4.23Å; A38-L64 HydrophobicContact CB-CD2 4.07Å; A38-L67 HydrophobicContact CB-CD2 3.63Å
39V94.9Very high90.1Very high29 Ų2948.9 Ų48.918%0.17627%0.273CS..Hα-helixtrans-56-46.8178.2169.90000111.2T35 K41 A42 L64 L111 I123 Y158T35-V39 HydrophobicContact CG2-CG2 4.16Å; T35-V39 WeakPolarHBondContact O-CG2 3.49Å; T35-V39 PolarHBondContact O-N 3.23Å; V39-K41 PolarHBondContact O-N 2.91Å; V39-K41 VanDerWaalsContact O-N 3.1Å; V39-A42 WeakPolarHBondContact O-CB 3.25Å; V39-A42 PolarHBondContact O-N 2.95Å; V39-L64 HydrophobicContact CG2-CD1 4.47Å; V39-L111 HydrophobicContact CG2-CD1 4.3Å; V39-I123 HydrophobicContact CG1-CD1 3.86Å; V39-I123 HydrophobicContact CG1-CG1 4.29Å; V39-I123 HydrophobicContact CG2-CD1 3.91Å; V39-Y158 HydrophobicContact CG2-CD2 4.42Å
40R94.7Very high88.7Confident112 Ų11253.6 Ų53.642%0.42329%0.294SS..THydrogen-bonded Turntrans-63-18.4179.1-78.9171.7174.472.7-0.3114.7S36 A38 T162S36-R40 WeakPolarHBondContact O-CD 3.45Å; S36-R40 WeakPolarHBondContact O-CG 3.49Å; S36-R40 PolarHBondContact O-N 3.29Å; S36-R40 PolarHBondContact O-NH1 2.78Å; S36-R40 PolarHBondContact OG-NH1 2.81Å; A38-R40 VanDerWaalsContact C-N 3.35Å; A38-R40 PolarHBondContact O-N 3.12Å; R40-T162 VanDerWaalsContact CZ-OG1 3.23Å; R40-T162 PolarHBondContact NH1-OG1 3.48Å; R40-T162 PolarHBondContact NH2-OG1 3.5Å
41K91Very high87.3Confident107 Ų10752.4 Ų52.447%0.46529%0.29SS..THydrogen-bonded Turntrans-119.312.4-177.8-65.6178.4-68.9178.30112.2S37 A38 V39 G43 I44 A45S37-K41 WeakPolarHBondContact O-CE 3.41Å; S37-K41 WeakPolarHBondContact OG-CE 3.2Å; S37-K41 PolarHBondContact OG-NZ 3.29Å; A38-K41 CarbonylContact O-C 3.52Å; A38-K41 PolarHBondContact O-N 3.43Å; V39-K41 PolarHBondContact O-N 2.91Å; V39-K41 VanDerWaalsContact O-N 3.1Å; K41-G43 VanDerWaalsContact C-N 3.34Å; K41-G43 PolarHBondContact O-N 3.27Å; K41-I44 PolarHBondContact O-N 3.48Å; K41-A45 WeakPolarHBondContact O-CB 3.32Å; K41-A45 PolarHBondContact O-N 2.97Å
42A88.1Confident85.5Confident4 Ų455.7 Ų55.73%0.03332%0.324CS..THydrogen-bonded Turntrans-59.4-42.5-167.700000113A38 V39 I44 K46 L47 H48 L64A38-A42 WeakPolarHBondContact O-CA 3.46Å; A38-A42 PolarHBondContact O-N 3.11Å; V39-A42 WeakPolarHBondContact O-CB 3.25Å; V39-A42 PolarHBondContact O-N 2.95Å; A42-I44 PolarHBondContact O-N 3.43Å; A42-K46 PolarHBondContact O-N 3.02Å; A42-K46 VanDerWaalsContact O-N 3.11Å; A42-L47 HydrophobicContact CB-CB 4.19Å; A42-L47 PolarHBondContact O-N 2.62Å; A42-H48 VanDerWaalsContact CB-CD2 3.49Å; A42-H48 WeakPolarHBondContact CB-CD2 3.42Å; A42-H48 VanDerWaalsContact CB-NE2 3.35Å; A42-H48 WeakPolarHBondContact CB-NE2 3.25Å; A42-L64 HydrophobicContact CB-CD1 3.7Å; A42-L64 HydrophobicContact CB-CG 4.45Å
43G84.6Confident84Confident47 Ų4760.9 Ų60.949%0.48535%0.352SS..THydrogen-bonded Turntrans-65.1-37.917500000113.6K41 K46 H48K41-G43 VanDerWaalsContact C-N 3.34Å; K41-G43 PolarHBondContact O-N 3.27Å; G43-K46 PolarHBondContact O-N 3.17Å; G43-H48 PolarHBondContact N-NE2 3.01Å; G43-H48 VanDerWaalsContact N-NE2 3.19Å
44I85.8Confident82.5Confident148 Ų14863 Ų6376%0.75937%0.369SS*.THydrogen-bonded Turntrans-71.3-42.3179.8-58.5174000110.5K41 A42 K46K41-I44 PolarHBondContact O-N 3.48Å; A42-I44 PolarHBondContact O-N 3.43Å; I44-K46 PolarHBondContact O-N 2.76Å
45A81.3Confident81Confident57 Ų5762.1 Ų62.147%0.47136%0.359SS..THydrogen-bonded Turntrans-82.74.6-179.100000113.4K41 L47K41-A45 WeakPolarHBondContact O-CB 3.32Å; K41-A45 PolarHBondContact O-N 2.97Å; A45-L47 HydrophobicContact CB-CD1 3.82Å; A45-L47 HydrophobicContact CB-CG 3.75Å; A45-L47 PolarHBondContact O-N 2.95Å
46K81.8Confident79.8Confident169 Ų16964.9 Ų64.974%0.73538%0.376SS*.THydrogen-bonded Turntrans52.738-176.6-58-177.2179.1-178.50113.2A42 G43 I44 H48 K63A42-K46 PolarHBondContact O-N 3.02Å; A42-K46 VanDerWaalsContact O-N 3.11Å; G43-K46 PolarHBondContact O-N 3.17Å; I44-K46 PolarHBondContact O-N 2.76Å; K46-H48 VanDerWaalsContact C-N 3.28Å; K46-K63 PolarHBondContact O-NZ 3.5Å
47L76.1Confident78Confident37 Ų3766.1 Ų66.119%0.19438%0.382CS..  trans-87.10.8175.9-59173.8000112.4A38 A42 A45 L64 L67A38-L47 HydrophobicContact CB-CD1 4.23Å; A42-L47 HydrophobicContact CB-CB 4.19Å; A42-L47 PolarHBondContact O-N 2.62Å; A45-L47 HydrophobicContact CB-CD1 3.82Å; A45-L47 HydrophobicContact CB-CG 3.75Å; A45-L47 PolarHBondContact O-N 2.95Å; L47-L64 HydrophobicContact CB-CD2 4.03Å; L47-L64 HydrophobicContact CB-CG 3.94Å; L47-L64 HydrophobicContact CD1-CD2 3.86Å; L47-L67 HydrophobicContact CD1-CD2 4.14Å
48H70.2Confident76.3Confident58 Ų5866.5 Ų66.527%0.26939%0.394SS..  trans-76.6154.7170.2-65.6-177.4000111.3A42 G43 K46 D118A42-H48 VanDerWaalsContact CB-CD2 3.49Å; A42-H48 WeakPolarHBondContact CB-CD2 3.42Å; A42-H48 VanDerWaalsContact CB-NE2 3.35Å; A42-H48 WeakPolarHBondContact CB-NE2 3.25Å; G43-H48 PolarHBondContact N-NE2 3.01Å; G43-H48 VanDerWaalsContact N-NE2 3.19Å; K46-H48 VanDerWaalsContact C-N 3.28Å; H48-D118 WeakPolarHBondContact CB-OD1 3.22Å; H48-D118 IonicContact CG-OD1 2.7Å
49G66.6Low75.2Confident21 Ų2168.1 Ų68.122%0.21640%0.399CS..SBendtrans82.3-177.6179.400000115.2K62 K63 D118G49-K62 WeakPolarHBondContact O-CA 3.32Å; G49-K63 PolarHBondContact O-N 3.17Å; G49-D118 PolarHBondContact N-OD1 3.22Å
50F67.9Low74.2Confident108 Ų10872.5 Ų72.547%0.47442%0.417SS..EExtended strand (participates in β ladder)trans-75.9145.7-169.1-53.3-66000113G52 E60 V61F50-G52 VanDerWaalsContact C-N 3.26Å; F50-E60 HydrophobicContact CD1-CB 3.52Å; F50-E60 HydrophobicContact CD1-CG 4.38Å; F50-E60 HydrophobicContact CE1-CB 3.5Å; F50-E60 VanDerWaalsContact CE1-CB 3.5Å; F50-E60 HydrophobicContact CE1-CG 4.21Å; F50-E60 WeakPolarHBondContact CE1-OE2 3.37Å; F50-E60 HydrophobicContact CZ-CB 4.49Å; F50-E60 WeakPolarHBondContact CZ-OE2 3.35Å; F50-V61 CarbonylContact C-O 3.57Å; F50-V61 WeakPolarHBondContact CA-O 3.35Å
51A70.1Confident73.1Confident38 Ų3867.6 Ų67.631%0.31440%0.4SS..EExtended strand (participates in β ladder)trans-76.5-17168.100000111.9V61 K63 V66A51-V61 HydrophobicContact CB-CB 4.44Å; A51-V61 HydrophobicContact CB-CG1 4.35Å; A51-V61 PolarHBondContact N-O 3.09Å; A51-K63 HydrophobicContact CB-CG 4.42Å; A51-V66 HydrophobicContact CB-CG2 3.95Å
52G61.5Low72.6Confident70 Ų7063.2 Ų63.272%0.72238%0.381SS*.EExtended strand (participates in β ladder)trans96.9-4.4-176.800000113.8F50F50-G52 VanDerWaalsContact C-N 3.26Å
53D67.2Low72.6Confident109 Ų10967.3 Ų67.358%0.58340%0.398SS*.EExtended strand (participates in β ladder)trans-105.1156179.4-62-47000111.8V61D53-V61 HydrophobicContact CB-CB 4.5Å; D53-V61 HydrophobicContact CB-CG2 4.38Å; D53-V61 WeakPolarHBondContact O-CB 3.29Å; D53-V61 WeakPolarHBondContact O-CG2 3.44Å; D53-V61 PolarHBondContact O-N 3.04Å
54V65.9Low72.8Confident97 Ų9765.2 Ų65.259%0.58838%0.375SS*.EExtended strand (participates in β ladder)trans-110.2126.9169.7178.90000107.3E59V54-E59 WeakPolarHBondContact CA-O 3.44Å
55N66.7Low73.1Confident20 Ų2058.2 Ų58.211%0.10734%0.34CS..  trans-74.7176.1179.865.419.3000111.5Q57 G58 E59 V61 E89N55-Q57 PolarHBondContact O-N 3.19Å; N55-Q57 WeakPolarHBondContact OD1-CA 3.15Å; N55-Q57 VanDerWaalsContact OD1-CB 3.29Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.29Å; N55-Q57 PolarHBondContact OD1-N 2.72Å; N55-Q57 VanDerWaalsContact OD1-N 3.09Å; N55-G58 PolarHBondContact O-N 3.41Å; N55-G58 PolarHBondContact OD1-N 3.1Å; N55-E59 PolarHBondContact N-O 3.43Å; N55-E59 WeakPolarHBondContact OD1-CB 3.42Å; N55-E59 PolarHBondContact OD1-N 2.87Å; N55-E59 PolarHBondContact OD1-O 3.19Å; N55-V61 HydrophobicContact CB-CG2 3.59Å; N55-V61 VanDerWaalsContact N-CG2 3.33Å; N55-E89 PolarHBondContact ND2-OE2 2.79Å
56V72.2Confident73.6Confident60 Ų6057.9 Ų57.936%0.36433%0.332SS..THydrogen-bonded Turntrans-64.4-8.7-177.6-60.70000113.4E91V56-E91 HydrophobicContact CB-CB 4.29Å; V56-E91 HydrophobicContact CB-CG 4.26Å; V56-E91 VanDerWaalsContact CG1-CA 3.46Å; V56-E91 HydrophobicContact CG1-CB 3.28Å; V56-E91 HydrophobicContact CG1-CG 3.59Å
57Q59.9Low74.2Confident28 Ų2852.3 Ų52.313%0.13131%0.309CS..THydrogen-bonded Turntrans-96.5-3.1176.9-57-59.4-36.900113.3N55 E59 R266N55-Q57 PolarHBondContact O-N 3.19Å; N55-Q57 WeakPolarHBondContact OD1-CA 3.15Å; N55-Q57 VanDerWaalsContact OD1-CB 3.29Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.29Å; N55-Q57 PolarHBondContact OD1-N 2.72Å; N55-Q57 VanDerWaalsContact OD1-N 3.09Å; Q57-E59 VanDerWaalsContact C-N 3.33Å; Q57-E59 HydrophobicContact CB-CG 4.16Å; Q57-R266 VanDerWaalsContact CG-NH2 3.34Å
58G62Low75.2Confident61 Ų6150.5 Ų50.563%0.62930%0.3SS*.SBendtrans77.318-174.700000113.4N55N55-G58 PolarHBondContact O-N 3.41Å; N55-G58 PolarHBondContact OD1-N 3.1Å
59E71.2Confident76.5Confident50 Ų5048.4 Ų48.423%0.23429%0.291CS..PPolyproline II helixtrans-99.8140.7179.6-56.2-175.3-162.600109.9V54 N55 Q57 V61 R266V54-E59 WeakPolarHBondContact CA-O 3.44Å; N55-E59 PolarHBondContact N-O 3.43Å; N55-E59 WeakPolarHBondContact OD1-CB 3.42Å; N55-E59 PolarHBondContact OD1-N 2.87Å; N55-E59 PolarHBondContact OD1-O 3.19Å; Q57-E59 VanDerWaalsContact C-N 3.33Å; Q57-E59 HydrophobicContact CB-CG 4.16Å; E59-V61 PolarHBondContact O-N 3.32Å; E59-R266 IonicContact OE1-CZ 2.57Å; E59-R266 IonicContact OE1-NH1 3.96Å; E59-R266 IonicContact OE1-NH2 3.21Å; E59-R266 PolarHBondContact OE1-NH2 3.25Å
60E74.1Confident78Confident121 Ų12152.4 Ų52.457%0.56530%0.304SS*.EExtended strand (participates in β ladder)trans-69.4119.9177.7-67.5-179141.300109.9F50 K62F50-E60 HydrophobicContact CD1-CB 3.52Å; F50-E60 HydrophobicContact CD1-CG 4.38Å; F50-E60 HydrophobicContact CE1-CB 3.5Å; F50-E60 VanDerWaalsContact CE1-CB 3.5Å; F50-E60 HydrophobicContact CE1-CG 4.21Å; F50-E60 WeakPolarHBondContact CE1-OE2 3.37Å; F50-E60 HydrophobicContact CZ-CB 4.49Å; F50-E60 WeakPolarHBondContact CZ-OE2 3.35Å; E60-K62 PolarHBondContact O-N 3.2Å
61V70.8Confident79.5Confident10 Ų1049.3 Ų49.36%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-75.6127.8-174-174.30000109.9F50 A51 D53 N55 E59 D65 V66F50-V61 CarbonylContact C-O 3.57Å; F50-V61 WeakPolarHBondContact CA-O 3.35Å; A51-V61 HydrophobicContact CB-CB 4.44Å; A51-V61 HydrophobicContact CB-CG1 4.35Å; A51-V61 PolarHBondContact N-O 3.09Å; D53-V61 HydrophobicContact CB-CB 4.5Å; D53-V61 HydrophobicContact CB-CG2 4.38Å; D53-V61 WeakPolarHBondContact O-CB 3.29Å; D53-V61 WeakPolarHBondContact O-CG2 3.44Å; D53-V61 PolarHBondContact O-N 3.04Å; N55-V61 HydrophobicContact CB-CG2 3.59Å; N55-V61 VanDerWaalsContact N-CG2 3.33Å; E59-V61 PolarHBondContact O-N 3.32Å; V61-D65 HydrophobicContact CG1-CB 4.06Å; V61-V66 HydrophobicContact CG1-CG2 3.56Å
62K81.3Confident80.8Confident15 Ų1547.5 Ų47.57%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-89.2153.5173.1-57.6-175.1175.4-165.30110.1G49 E60 L64 D65 V66 S114 I117 D118G49-K62 WeakPolarHBondContact O-CA 3.32Å; E60-K62 PolarHBondContact O-N 3.2Å; K62-L64 PolarHBondContact O-N 2.91Å; K62-L64 VanDerWaalsContact O-N 3.16Å; K62-D65 WeakPolarHBondContact CA-OD2 3.37Å; K62-D65 WeakPolarHBondContact CB-OD2 3.41Å; K62-D65 PolarHBondContact N-OD2 3.21Å; K62-D65 WeakPolarHBondContact O-CB 3.27Å; K62-D65 PolarHBondContact O-N 3.25Å; K62-V66 PolarHBondContact O-N 2.8Å; K62-S114 VanDerWaalsContact CD-O 3.3Å; K62-S114 WeakPolarHBondContact CD-O 3.32Å; K62-S114 WeakPolarHBondContact CE-O 3.48Å; K62-S114 PolarHBondContact NZ-O 2.92Å; K62-I117 HydrophobicContact CB-CD1 4.31Å; K62-I117 HydrophobicContact CD-CB 4.21Å; K62-I117 HydrophobicContact CD-CD1 3.83Å; K62-I117 HydrophobicContact CD-CG1 4.43Å; K62-D118 IonicContact NZ-OD2 2.7Å; K62-D118 PolarHBondContact NZ-OD2 2.82Å
63K86.8Confident82.6Confident89 Ų8945.2 Ų45.239%0.38725%0.248SC..Hα-helixtrans-57.9-32.9179.7-69172.9178.1170.40113.3K46 G49 A51 D65 L67K46-K63 PolarHBondContact O-NZ 3.5Å; G49-K63 PolarHBondContact O-N 3.17Å; A51-K63 HydrophobicContact CB-CG 4.42Å; K63-D65 VanDerWaalsContact C-N 3.34Å; K63-L67 PolarHBondContact O-N 3.09Å; K63-L67 VanDerWaalsContact O-N 3.11Å
64L90.6Very high84.1Confident3 Ų344.4 Ų44.42%0.01624%0.244CC..Hα-helixtrans-69.6-30.1175.8-84.7177000112.9A38 V39 A42 L47 K62 L67 S68 L111 I117A38-L64 HydrophobicContact CB-CD2 4.07Å; V39-L64 HydrophobicContact CG2-CD1 4.47Å; A42-L64 HydrophobicContact CB-CD1 3.7Å; A42-L64 HydrophobicContact CB-CG 4.45Å; L47-L64 HydrophobicContact CB-CD2 4.03Å; L47-L64 HydrophobicContact CB-CG 3.94Å; L47-L64 HydrophobicContact CD1-CD2 3.86Å; K62-L64 PolarHBondContact O-N 2.91Å; K62-L64 VanDerWaalsContact O-N 3.16Å; L64-L67 HydrophobicContact CD2-CD2 4.31Å; L64-L67 PolarHBondContact O-N 3.18Å; L64-S68 VanDerWaalsContact O-CB 3.29Å; L64-S68 WeakPolarHBondContact O-CB 3.42Å; L64-S68 PolarHBondContact O-N 2.98Å; L64-S68 PolarHBondContact O-OG 2.93Å; L64-L111 HydrophobicContact CB-CD2 3.56Å; L64-I117 HydrophobicContact CB-CD1 3.95Å; L64-I117 HydrophobicContact CD1-CD1 4.09Å; L64-I117 HydrophobicContact CD1-CG1 4.49Å; L64-I117 HydrophobicContact CD1-CG2 3.69Å
65D90.2Very high85.6Confident2 Ų242.4 Ų42.41%0.01123%0.229CC..Hα-helixtrans-66.8-44.6175.6-55.3-35.6000110V61 K62 K63 L67 S68 N69 L111 S114V61-D65 HydrophobicContact CG1-CB 4.06Å; K62-D65 WeakPolarHBondContact CA-OD2 3.37Å; K62-D65 WeakPolarHBondContact CB-OD2 3.41Å; K62-D65 PolarHBondContact N-OD2 3.21Å; K62-D65 WeakPolarHBondContact O-CB 3.27Å; K62-D65 PolarHBondContact O-N 3.25Å; K63-D65 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 3.3Å; D65-S68 PolarHBondContact O-OG 2.9Å; D65-N69 WeakPolarHBondContact O-CB 3.49Å; D65-N69 PolarHBondContact O-N 3.5Å; D65-L111 WeakPolarHBondContact OD1-CD2 3.22Å; D65-S114 WeakPolarHBondContact OD1-CB 3.49Å
66V92.3Very high87.1Confident50 Ų5041.5 Ų41.530%0.30322%0.224SC..Hα-helixtrans-60.2-49.4174.8-178.60000110.9A51 V61 K62 N69 E70A51-V66 HydrophobicContact CB-CG2 3.95Å; V61-V66 HydrophobicContact CG1-CG2 3.56Å; K62-V66 PolarHBondContact O-N 2.8Å; V66-N69 PolarHBondContact O-N 3.25Å; V66-E70 WeakPolarHBondContact O-CG 3.44Å; V66-E70 PolarHBondContact O-N 3Å
67L94.8Very high88.3Confident51 Ų5140.5 Ų40.527%0.26721%0.214SC..Hα-helixtrans-62.6-46.5-178.4176.563.2000112.1A38 L47 K63 L64 D65 N69 E70 L71A38-L67 HydrophobicContact CB-CD2 3.63Å; L47-L67 HydrophobicContact CD1-CD2 4.14Å; K63-L67 PolarHBondContact O-N 3.09Å; K63-L67 VanDerWaalsContact O-N 3.11Å; L64-L67 HydrophobicContact CD2-CD2 4.31Å; L64-L67 PolarHBondContact O-N 3.18Å; D65-L67 PolarHBondContact O-N 3.3Å; L67-N69 VanDerWaalsContact C-N 3.32Å; L67-E70 PolarHBondContact O-N 3.47Å; L67-L71 HydrophobicContact CD1-CD1 4.14Å; L67-L71 HydrophobicContact CD1-CG 4.25Å; L67-L71 HydrophobicContact CG-CD1 4.01Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 WeakPolarHBondContact O-CG 3.42Å; L67-L71 PolarHBondContact O-N 2.97Å
68S96.8Very high90.1Very high0 Ų041.7 Ų41.70%023%0.226CC..Hα-helixtrans-63.8-41.7179.762.70000110.5L64 D65 L71 F72 P110L64-S68 VanDerWaalsContact O-CB 3.29Å; L64-S68 WeakPolarHBondContact O-CB 3.42Å; L64-S68 PolarHBondContact O-N 2.98Å; L64-S68 PolarHBondContact O-OG 2.93Å; D65-S68 PolarHBondContact O-OG 2.9Å; S68-L71 PolarHBondContact O-N 2.91Å; S68-F72 WeakPolarHBondContact O-CD2 3.41Å; S68-F72 PolarHBondContact O-N 2.97Å; S68-P110 WeakPolarHBondContact CB-O 3.27Å; S68-P110 WeakPolarHBondContact OG-CB 3.34Å
69N98.1Very high91.8Very high14 Ų1438.8 Ų38.88%0.07520%0.196CC..Hα-helixtrans-60.6-49.8177-170.741.3000111.8D65 V66 L67 L71 F72 I73 S87 E89 N90 F108 P110D65-N69 WeakPolarHBondContact O-CB 3.49Å; D65-N69 PolarHBondContact O-N 3.5Å; V66-N69 PolarHBondContact O-N 3.25Å; L67-N69 VanDerWaalsContact C-N 3.32Å; N69-L71 VanDerWaalsContact C-N 3.33Å; N69-L71 PolarHBondContact O-N 3.36Å; N69-F72 PolarHBondContact O-N 2.94Å; N69-I73 WeakPolarHBondContact O-CB 3.41Å; N69-I73 VanDerWaalsContact O-CG1 3.27Å; N69-I73 WeakPolarHBondContact O-CG1 3.42Å; N69-I73 PolarHBondContact O-N 2.98Å; N69-S87 WeakPolarHBondContact OD1-CB 3.46Å; N69-S87 PolarHBondContact OD1-OG 2.95Å; N69-E89 HydrophobicContact CB-CB 4.15Å; N69-E89 HydrophobicContact CB-CG 4.2Å; N69-N90 PolarHBondContact ND2-OD1 3.39Å; N69-N90 PolarHBondContact OD1-OD1 3.33Å; N69-F108 WeakPolarHBondContact OD1-CE2 3.5Å; N69-P110 HydrophobicContact CB-CB 4.26Å; N69-P110 HydrophobicContact CB-CG 3.93Å
70E97.9Very high93Very high105 Ų10542.8 Ų42.849%0.49121%0.21SC..Hα-helixtrans-59.5-42.2176.9-73.9-178.6175.200112.3V66 L67 N74V66-E70 WeakPolarHBondContact O-CG 3.44Å; V66-E70 PolarHBondContact O-N 3Å; L67-E70 PolarHBondContact O-N 3.47Å; E70-N74 VanDerWaalsContact O-CB 3.24Å; E70-N74 WeakPolarHBondContact O-CB 3.45Å; E70-N74 PolarHBondContact O-N 3.49Å; E70-N74 PolarHBondContact O-ND2 3.16Å
71L98.3Very high94.2Very high42 Ų4237 Ų3722%0.2218%0.183CC..Hα-helixtrans-61.2-46.6177.1-74.3170000111.5A34 L67 S68 N69 M75A34-L71 HydrophobicContact CB-CD1 3.77Å; A34-L71 HydrophobicContact CB-CD2 3.9Å; A34-L71 HydrophobicContact CB-CG 4.41Å; L67-L71 HydrophobicContact CD1-CD1 4.14Å; L67-L71 HydrophobicContact CD1-CG 4.25Å; L67-L71 HydrophobicContact CG-CD1 4.01Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 WeakPolarHBondContact O-CG 3.42Å; L67-L71 PolarHBondContact O-N 2.97Å; S68-L71 PolarHBondContact O-N 2.91Å; N69-L71 VanDerWaalsContact C-N 3.33Å; N69-L71 PolarHBondContact O-N 3.36Å; L71-M75 WeakPolarHBondContact O-CB 3.4Å; L71-M75 WeakPolarHBondContact O-CG 3.16Å; L71-M75 PolarHBondContact O-N 3.18Å
72F98.7Very high95.5Very high0 Ų036.6 Ų36.60%018%0.18CC..Hα-helixtrans-62.6-52.3177-92.5-99.6000111.3I28 A31 I32 S68 N69 N74 M75 L76 F108 P110I28-F72 HydrophobicContact CG2-CE1 4.34Å; A31-F72 HydrophobicContact CB-CD1 4.4Å; A31-F72 HydrophobicContact CB-CD2 3.92Å; A31-F72 HydrophobicContact CB-CE2 4.06Å; A31-F72 HydrophobicContact CB-CG 4.11Å; A31-F72 HydrophobicContact CB-CZ 4.36Å; I32-F72 HydrophobicContact CG1-CE2 4.48Å; I32-F72 HydrophobicContact CG1-CZ 3.86Å; S68-F72 WeakPolarHBondContact O-CD2 3.41Å; S68-F72 PolarHBondContact O-N 2.97Å; N69-F72 PolarHBondContact O-N 2.94Å; F72-N74 VanDerWaalsContact C-N 3.32Å; F72-N74 PolarHBondContact O-N 3.08Å; F72-M75 PolarHBondContact O-N 3.11Å; F72-L76 HydrophobicContact CD1-CD1 4.47Å; F72-L76 VanDerWaalsContact O-CB 3.29Å; F72-L76 WeakPolarHBondContact O-CB 3.44Å; F72-L76 WeakPolarHBondContact O-CG 3.44Å; F72-L76 PolarHBondContact O-N 3.31Å; F72-F108 HydrophobicContact CB-CD2 4.01Å; F72-F108 HydrophobicContact CB-CE2 3.58Å; F72-F108 HydrophobicContact CB-CZ 3.93Å; F72-F108 HydrophobicContact CD1-CD2 4.04Å; F72-F108 HydrophobicContact CD1-CE2 4.47Å; F72-F108 HydrophobicContact CD1-CG 4.23Å; F72-F108 HydrophobicContact CG-CD2 4.09Å; F72-F108 HydrophobicContact CG-CE2 4.17Å; F72-P110 HydrophobicContact CD2-CB 4.28Å
73I98.7Very high96.3Very high23 Ų2335.9 Ų35.912%0.11818%0.178CC..Hα-helixtrans-54.7-49179.9-68.6168.3000110.9N69 L76 K77 M85 I94 F108N69-I73 WeakPolarHBondContact O-CB 3.41Å; N69-I73 VanDerWaalsContact O-CG1 3.27Å; N69-I73 WeakPolarHBondContact O-CG1 3.42Å; N69-I73 PolarHBondContact O-N 2.98Å; I73-L76 PolarHBondContact O-N 2.94Å; I73-K77 HydrophobicContact CG2-CD 4.17Å; I73-K77 WeakPolarHBondContact O-CB 3.35Å; I73-K77 WeakPolarHBondContact O-CG 3.42Å; I73-K77 PolarHBondContact O-N 2.76Å; I73-M85 HydrophobicContact CG2-CE 4.25Å; I73-I94 HydrophobicContact CD1-CD1 3.44Å; I73-I94 VanDerWaalsContact CD1-CD1 3.44Å; I73-I94 HydrophobicContact CG1-CD1 3.67Å; I73-F108 HydrophobicContact CG1-CZ 3.95Å
74N98.3Very high96.8Very high91 Ų9131.7 Ų31.749%0.48716%0.16SC..Hα-helixtrans-65.8-41.9-177.6-72.6-35.3000112.3E70 F72 S78E70-N74 VanDerWaalsContact O-CB 3.24Å; E70-N74 WeakPolarHBondContact O-CB 3.45Å; E70-N74 PolarHBondContact O-N 3.49Å; E70-N74 PolarHBondContact O-ND2 3.16Å; F72-N74 VanDerWaalsContact C-N 3.32Å; F72-N74 PolarHBondContact O-N 3.08Å; N74-S78 WeakPolarHBondContact O-CB 3.24Å; N74-S78 PolarHBondContact O-N 3.37Å; N74-S78 PolarHBondContact O-OG 3.09Å
75M98.3Very high97.2Very high55 Ų5531.6 Ų31.627%0.27116%0.159SC..Hα-helixtrans-70.3-35.4178.9-69.1-59.987.800112.4S27 T30 A31 L71 F72 S78 S79S27-M75 WeakPolarHBondContact CB-O 3.38Å; S27-M75 PolarHBondContact OG-O 2.91Å; T30-M75 HydrophobicContact CG2-SD 3.78Å; A31-M75 HydrophobicContact CB-CB 4.08Å; A31-M75 HydrophobicContact CB-CG 3.97Å; L71-M75 WeakPolarHBondContact O-CB 3.4Å; L71-M75 WeakPolarHBondContact O-CG 3.16Å; L71-M75 PolarHBondContact O-N 3.18Å; F72-M75 PolarHBondContact O-N 3.11Å; M75-S78 WeakPolarHBondContact CA-OG 3.24Å; M75-S78 PolarHBondContact O-OG 3.01Å; M75-S79 PolarHBondContact O-N 3.49Å
76L98.5Very high97.6Very high1 Ų131.5 Ų31.51%0.00516%0.159CC..Hα-helixtrans-71.2-44.4176.9-68.5175.4000111.6L24 I28 F72 I73 S78 S79 M85 V106 F108L24-L76 HydrophobicContact CD1-CD2 3.45Å; L24-L76 VanDerWaalsContact CD1-CD2 3.45Å; I28-L76 HydrophobicContact CD1-CD2 4.27Å; I28-L76 HydrophobicContact CG1-CD2 3.76Å; F72-L76 HydrophobicContact CD1-CD1 4.47Å; F72-L76 VanDerWaalsContact O-CB 3.29Å; F72-L76 WeakPolarHBondContact O-CB 3.44Å; F72-L76 WeakPolarHBondContact O-CG 3.44Å; F72-L76 PolarHBondContact O-N 3.31Å; I73-L76 PolarHBondContact O-N 2.94Å; L76-S78 PolarHBondContact O-N 3.42Å; L76-S79 VanDerWaalsContact O-CB 3.25Å; L76-S79 WeakPolarHBondContact O-CB 3.43Å; L76-S79 PolarHBondContact O-N 3.47Å; L76-S79 PolarHBondContact O-OG 3.14Å; L76-M85 HydrophobicContact CB-CG 4.48Å; L76-M85 HydrophobicContact CB-SD 3.52Å; L76-M85 VanDerWaalsContact CB-SD 3.52Å; L76-M85 HydrophobicContact CD1-CG 4.14Å; L76-M85 HydrophobicContact CD1-SD 3.69Å; L76-M85 HydrophobicContact CG-SD 4.26Å; L76-V106 HydrophobicContact CD1-CB 4.06Å; L76-V106 HydrophobicContact CD1-CG1 3.86Å; L76-V106 HydrophobicContact CD2-CB 4.49Å; L76-V106 HydrophobicContact CD2-CG1 4.29Å; L76-V106 HydrophobicContact CD2-CG2 4.1Å; L76-F108 HydrophobicContact CD1-CD1 3.91Å; L76-F108 HydrophobicContact CD1-CE1 3.74Å; L76-F108 HydrophobicContact CD1-CZ 4.49Å
77K97.8Very high97.9Very high39 Ų3929.1 Ų29.117%0.1714%0.144CC..Hα-helixtrans-59.8-46.1173.3-76.4-173.9170.8-162.50112.4I73 S79 Y80 M85 V96 E97I73-K77 HydrophobicContact CG2-CD 4.17Å; I73-K77 WeakPolarHBondContact O-CB 3.35Å; I73-K77 WeakPolarHBondContact O-CG 3.42Å; I73-K77 PolarHBondContact O-N 2.76Å; K77-S79 PolarHBondContact O-N 2.98Å; K77-Y80 PolarHBondContact O-N 2.92Å; K77-M85 HydrophobicContact CD-CE 4.43Å; K77-M85 HydrophobicContact CG-CE 3.71Å; K77-V96 HydrophobicContact CG-CG1 4.4Å; K77-V96 HydrophobicContact CG-CG2 4.21Å; K77-E97 IonicContact NZ-OE1 3.64Å; K77-E97 PolarHBondContact NZ-OE1 2.79Å; K77-E97 IonicContact NZ-OE2 3.16Å
78S96.5Very high98Very high54 Ų5427.3 Ų27.338%0.37813%0.134SC..THydrogen-bonded Turntrans-73.2-3.3179.359.10000113.9N74 M75 L76 Y80N74-S78 WeakPolarHBondContact O-CB 3.24Å; N74-S78 PolarHBondContact O-N 3.37Å; N74-S78 PolarHBondContact O-OG 3.09Å; M75-S78 WeakPolarHBondContact CA-OG 3.24Å; M75-S78 PolarHBondContact O-OG 3.01Å; L76-S78 PolarHBondContact O-N 3.42Å; S78-Y80 VanDerWaalsContact C-N 3.31Å; S78-Y80 VanDerWaalsContact O-CD2 3.24Å; S78-Y80 WeakPolarHBondContact O-CD2 3.35Å
79S97.4Very high98Very high0 Ų028.7 Ų28.70%014%0.141CC..THydrogen-bonded Turntrans-72.8-23173.578.90000112.8Q23 S27 M75 L76 K77 T81Q23-S79 PolarHBondContact NE2-O 3.15Å; S27-S79 WeakPolarHBondContact OG-CB 3.43Å; M75-S79 PolarHBondContact O-N 3.49Å; L76-S79 VanDerWaalsContact O-CB 3.25Å; L76-S79 WeakPolarHBondContact O-CB 3.43Å; L76-S79 PolarHBondContact O-N 3.47Å; L76-S79 PolarHBondContact O-OG 3.14Å; K77-S79 PolarHBondContact O-N 2.98Å; S79-T81 WeakPolarHBondContact CB-OG1 3.44Å; S79-T81 WeakPolarHBondContact O-CG2 3.48Å; S79-T81 PolarHBondContact O-N 2.86Å; S79-T81 PolarHBondContact OG-N 3.03Å; S79-T81 VanDerWaalsContact OG-N 3.09Å; S79-T81 PolarHBondContact OG-OG1 3.27Å
80Y97.6Very high97.9Very high133 Ų13330.2 Ų30.252%0.52215%0.149SC..THydrogen-bonded Turntrans57.819.9-169.7-61.6-96.6000114.2K77 S78 K100K77-Y80 PolarHBondContact O-N 2.92Å; S78-Y80 VanDerWaalsContact C-N 3.31Å; S78-Y80 VanDerWaalsContact O-CD2 3.24Å; S78-Y80 WeakPolarHBondContact O-CD2 3.35Å; Y80-K100 WeakPolarHBondContact CA-O 3.39Å; Y80-K100 HydrophobicContact CD1-CB 4.24Å; Y80-K100 HydrophobicContact CD1-CG 4.15Å; Y80-K100 HydrophobicContact CE1-CB 4.27Å; Y80-K100 HydrophobicContact CE1-CG 3.68Å
81T97.8Very high97.8Very high1 Ų131.3 Ų31.31%0.00615%0.154CC..  trans-122.4-10.6-175.465.40000114D20 Q23 L24 S79 G102 K103 Y104D20-T81 HydrophobicContact CB-CG2 3.78Å; D20-T81 WeakPolarHBondContact O-CG2 3.2Å; Q23-T81 HydrophobicContact CB-CG2 4.07Å; Q23-T81 HydrophobicContact CG-CG2 4.13Å; L24-T81 WeakPolarHBondContact CB-OG1 3.5Å; S79-T81 WeakPolarHBondContact CB-OG1 3.44Å; S79-T81 WeakPolarHBondContact O-CG2 3.48Å; S79-T81 PolarHBondContact O-N 2.86Å; S79-T81 PolarHBondContact OG-N 3.03Å; S79-T81 VanDerWaalsContact OG-N 3.09Å; S79-T81 PolarHBondContact OG-OG1 3.27Å; T81-G102 VanDerWaalsContact C-CA 3.43Å; T81-G102 CarbonylContact O-C 3.57Å; T81-G102 WeakPolarHBondContact O-CA 3.34Å; T81-K103 PolarHBondContact O-N 2.96Å; T81-Y104 WeakPolarHBondContact O-CB 3.13Å; T81-Y104 WeakPolarHBondContact O-CD2 3.29Å; T81-Y104 PolarHBondContact O-N 3.49Å
82T98.1Very high97.7Very high0 Ų034.7 Ų34.70%017%0.172CC..EExtended strand (participates in β ladder)trans-107.3137.8-178-55.10000110.3L24 L84 M85 V96 Q101 G102 Y104 V106L24-T82 WeakPolarHBondContact CD1-OG1 3.49Å; T82-L84 VanDerWaalsContact CG2-O 3.29Å; T82-L84 WeakPolarHBondContact CG2-O 3.34Å; T82-M85 HydrophobicContact CG2-CG 3.68Å; T82-V96 HydrophobicContact CG2-CG2 4.27Å; T82-V96 WeakPolarHBondContact O-CB 3.4Å; T82-V96 WeakPolarHBondContact O-CG2 3.45Å; T82-Q101 WeakPolarHBondContact O-CA 3.18Å; T82-G102 PolarHBondContact O-N 3.05Å; T82-G102 VanDerWaalsContact O-N 3.12Å; T82-Y104 CarbonylContact C-O 3.56Å; T82-Y104 VanDerWaalsContact CA-O 3.24Å; T82-Y104 WeakPolarHBondContact CA-O 2.97Å; T82-V106 HydrophobicContact CG2-CG2 3.99Å
83C98.1Very high97.7Very high1 Ų136.3 Ų36.31%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-104.5-31.2171.755.90000113.1V96 Q101 G102 Y104 P138C83-V96 PolarHBondContact O-N 2.93Å; C83-Q101 HydrophobicContact CB-CB 4.29Å; C83-Q101 HydrophobicContact CB-CG 4.26Å; C83-G102 VanDerWaalsContact CB-O 3.28Å; C83-G102 WeakPolarHBondContact CB-O 3.47Å; C83-Y104 PolarHBondContact N-O 2.89Å; C83-Y104 PolarHBondContact SG-O 2.66Å; C83-P138 HydrophobicContact CB-CB 4.15Å; C83-P138 HydrophobicContact CB-CG 4.2Å
84L98.2Very high97.7Very high1 Ų136.3 Ų36.31%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-142.5142.7-175.1-162.269.5000110.1T82 V93 E95 I105 V106 P138 T139 A143T82-L84 VanDerWaalsContact CG2-O 3.29Å; T82-L84 WeakPolarHBondContact CG2-O 3.34Å; L84-V93 HydrophobicContact CD1-CB 3.79Å; L84-V93 HydrophobicContact CD1-CG2 3.75Å; L84-V93 HydrophobicContact CD2-CB 4.38Å; L84-V93 HydrophobicContact CD2-CG1 4.39Å; L84-V93 HydrophobicContact CG-CB 4.1Å; L84-E95 HydrophobicContact CD1-CB 4.27Å; L84-I105 HydrophobicContact CB-CG1 4.05Å; L84-I105 HydrophobicContact CB-CG2 4.18Å; L84-I105 VanDerWaalsContact O-CA 3.28Å; L84-I105 WeakPolarHBondContact O-CA 3.24Å; L84-V106 PolarHBondContact O-N 3.12Å; L84-V106 VanDerWaalsContact O-N 3.08Å; L84-P138 HydrophobicContact CB-CB 4.35Å; L84-P138 HydrophobicContact CD1-CB 4.49Å; L84-T139 VanDerWaalsContact CD2-O 3.22Å; L84-T139 WeakPolarHBondContact CD2-O 3.43Å; L84-A143 HydrophobicContact CD2-CB 4Å
85M98.8Very high97.6Very high0 Ų036.8 Ų36.80%018%0.181CC..EExtended strand (participates in β ladder)trans-128.1147.5174.1-62.9170.3-79.900111.4I73 L76 K77 T82 V93 I94 V96 V106 F108I73-M85 HydrophobicContact CG2-CE 4.25Å; L76-M85 HydrophobicContact CB-CG 4.48Å; L76-M85 HydrophobicContact CB-SD 3.52Å; L76-M85 VanDerWaalsContact CB-SD 3.52Å; L76-M85 HydrophobicContact CD1-CG 4.14Å; L76-M85 HydrophobicContact CD1-SD 3.69Å; L76-M85 HydrophobicContact CG-SD 4.26Å; K77-M85 HydrophobicContact CD-CE 4.43Å; K77-M85 HydrophobicContact CG-CE 3.71Å; T82-M85 HydrophobicContact CG2-CG 3.68Å; M85-V93 WeakPolarHBondContact O-CA 3.38Å; M85-I94 HydrophobicContact CB-CB 4.18Å; M85-I94 HydrophobicContact CB-CD1 4.47Å; M85-I94 HydrophobicContact CE-CB 4Å; M85-I94 HydrophobicContact CE-CG2 3.57Å; M85-I94 PolarHBondContact N-O 2.89Å; M85-I94 PolarHBondContact O-N 3.23Å; M85-V96 HydrophobicContact CE-CG2 3.77Å; M85-V106 CarbonylContact C-O 3.41Å; M85-V106 VanDerWaalsContact CA-O 3.25Å; M85-V106 WeakPolarHBondContact CA-O 3.28Å; M85-F108 HydrophobicContact CB-CE1 4.05Å; M85-F108 HydrophobicContact CG-CE1 4.4Å; M85-F108 HydrophobicContact SD-CE1 4.37Å
86V98.8Very high97.6Very high1 Ų134.3 Ų34.31%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-124116.4169.5-175.30000107.2V93 V106 C107 F108 A143 L268 Y269 I300V86-V93 HydrophobicContact CG2-CG1 4.15Å; V86-V106 PolarHBondContact N-O 2.83Å; V86-C107 HydrophobicContact CB-CB 4.27Å; V86-C107 CarbonylContact O-C 3.56Å; V86-C107 VanDerWaalsContact O-CA 3.28Å; V86-C107 WeakPolarHBondContact O-CA 3.46Å; V86-F108 PolarHBondContact O-N 3.2Å; V86-A143 HydrophobicContact CG2-CB 3.72Å; V86-L268 HydrophobicContact CG1-CD1 4.4Å; V86-Y269 HydrophobicContact CG1-CD1 4.14Å; V86-Y269 HydrophobicContact CG1-CE1 4.17Å; V86-I300 HydrophobicContact CG1-CB 3.91Å; V86-I300 HydrophobicContact CG1-CG2 4.49Å; V86-I300 HydrophobicContact CG2-CG2 4.3Å
87S98.6Very high97.5Very high0 Ų037.4 Ų37.40%018%0.184CC..EExtended strand (participates in β ladder)trans-108.2149.2175.8-175.70000109.6N69 E89 N90 F108N69-S87 WeakPolarHBondContact OD1-CB 3.46Å; N69-S87 PolarHBondContact OD1-OG 2.95Å; S87-E89 PolarHBondContact O-N 3.49Å; S87-E89 PolarHBondContact OG-N 3.12Å; S87-N90 WeakPolarHBondContact CB-OD1 3.42Å; S87-N90 PolarHBondContact O-N 3.47Å; S87-F108 WeakPolarHBondContact CA-O 3.41Å; S87-F108 WeakPolarHBondContact OG-CE2 3.49Å
88E97.3Very high97.4Very high13 Ų1341 Ų416%0.06121%0.208CC..THydrogen-bonded Turntrans-56.2-36.4166.2-177.5172.4-165.200112.3N90 F108 R266 Y269E88-N90 VanDerWaalsContact C-N 3.32Å; E88-N90 PolarHBondContact O-N 3.32Å; E88-F108 PolarHBondContact N-O 3.24Å; E88-F108 VanDerWaalsContact N-O 3.16Å; E88-R266 IonicContact OE1-CZ 3.64Å; E88-R266 IonicContact OE1-NH1 2.83Å; E88-R266 PolarHBondContact OE1-NH1 3.03Å; E88-Y269 HydrophobicContact CB-CD2 4Å; E88-Y269 HydrophobicContact CB-CE2 3.49Å; E88-Y269 VanDerWaalsContact CB-CE2 3.49Å; E88-Y269 HydrophobicContact CG-CE2 3.71Å
89E95.6Very high97.4Very high29 Ų2945 Ų4514%0.13622%0.221CC..THydrogen-bonded Turntrans-86.22.4-171.8-59.7-53.5146.500114N55 N69 S87 P110N55-E89 PolarHBondContact ND2-OE2 2.79Å; N69-E89 HydrophobicContact CB-CB 4.15Å; N69-E89 HydrophobicContact CB-CG 4.2Å; S87-E89 PolarHBondContact O-N 3.49Å; S87-E89 PolarHBondContact OG-N 3.12Å; E89-P110 HydrophobicContact CG-CG 3.84Å
90N97Very high97.3Very high45 Ų4548 Ų4824%0.24123%0.234CC..  trans-125.1128.7-177.8-69.490.3000111.3N69 S87 E88 N92 I94 H301N69-N90 PolarHBondContact ND2-OD1 3.39Å; N69-N90 PolarHBondContact OD1-OD1 3.33Å; S87-N90 WeakPolarHBondContact CB-OD1 3.42Å; S87-N90 PolarHBondContact O-N 3.47Å; E88-N90 VanDerWaalsContact C-N 3.32Å; E88-N90 PolarHBondContact O-N 3.32Å; N90-N92 VanDerWaalsContact C-N 3.28Å; N90-N92 PolarHBondContact O-N 2.81Å; N90-I94 HydrophobicContact CB-CD1 4.26Å; N90-I94 HydrophobicContact CB-CG1 4.37Å; N90-H301 PolarHBondContact O-CE1 2.82Å; N90-H301 PolarHBondContact O-NE2 3.04Å
91E95.3Very high97.2Very high129 Ų12944.4 Ų44.460%0.60322%0.222SC*.SBendtrans-62.3-36.6-178.3-162.3175.3175.400113.6V56 I300 H301V56-E91 HydrophobicContact CB-CB 4.29Å; V56-E91 HydrophobicContact CB-CG 4.26Å; V56-E91 VanDerWaalsContact CG1-CA 3.46Å; V56-E91 HydrophobicContact CG1-CB 3.28Å; V56-E91 HydrophobicContact CG1-CG 3.59Å; E91-I300 WeakPolarHBondContact O-CD1 3.28Å; E91-H301 PolarHBondContact O-NE2 2.71Å
92N97.4Very high97.1Very high113 Ų11345.3 Ų45.360%0.60423%0.232SC*.SBendtrans-118.1158.1-173.7-64.1-62.6000109N90N90-N92 VanDerWaalsContact C-N 3.28Å; N90-N92 PolarHBondContact O-N 2.81Å
93V97.6Very high97.1Very high33 Ų3347.7 Ų47.720%0.224%0.242CC..  trans-57.2144.2169.2-58.30000110.2L84 M85 V86 V140 I300L84-V93 HydrophobicContact CD1-CB 3.79Å; L84-V93 HydrophobicContact CD1-CG2 3.75Å; L84-V93 HydrophobicContact CD2-CB 4.38Å; L84-V93 HydrophobicContact CD2-CG1 4.39Å; L84-V93 HydrophobicContact CG-CB 4.1Å; M85-V93 WeakPolarHBondContact O-CA 3.38Å; V86-V93 HydrophobicContact CG2-CG1 4.15Å; V93-V140 HydrophobicContact CG1-CB 4.39Å; V93-V140 HydrophobicContact CG1-CG1 4.16Å; V93-V140 HydrophobicContact CG1-CG2 3.95Å; V93-V140 HydrophobicContact CG2-CG2 3.69Å; V93-I300 HydrophobicContact CG1-CD1 4.11Å; V93-I300 HydrophobicContact CG1-CG2 3.99Å
94I98.4Very high97.1Very high24 Ų2448.8 Ų48.812%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-99.6105.2174.4-52.9160.2000106.9I73 M85 N90I73-I94 HydrophobicContact CD1-CD1 3.44Å; I73-I94 VanDerWaalsContact CD1-CD1 3.44Å; I73-I94 HydrophobicContact CG1-CD1 3.67Å; M85-I94 HydrophobicContact CB-CB 4.18Å; M85-I94 HydrophobicContact CB-CD1 4.47Å; M85-I94 HydrophobicContact CE-CB 4Å; M85-I94 HydrophobicContact CE-CG2 3.57Å; M85-I94 PolarHBondContact N-O 2.89Å; M85-I94 PolarHBondContact O-N 3.23Å; N90-I94 HydrophobicContact CB-CD1 4.26Å; N90-I94 HydrophobicContact CB-CG1 4.37Å
95E97.9Very high97.1Very high101 Ų10148.7 Ų48.747%0.47225%0.246SC..EExtended strand (participates in β ladder)trans-74.4131.9170.9-169.7173.216900109.9L84 Q101 P138L84-E95 HydrophobicContact CD1-CB 4.27Å; E95-Q101 PolarHBondContact OE1-NE2 2.78Å; E95-P138 HydrophobicContact CG-CG 3.89Å
96V97.6Very high97.1Very high2 Ų248.7 Ų48.71%0.01225%0.246CC..PPolyproline II helixtrans-79.1141174.71790000108.8K77 T82 C83 M85 V98 K100 Q101K77-V96 HydrophobicContact CG-CG1 4.4Å; K77-V96 HydrophobicContact CG-CG2 4.21Å; T82-V96 HydrophobicContact CG2-CG2 4.27Å; T82-V96 WeakPolarHBondContact O-CB 3.4Å; T82-V96 WeakPolarHBondContact O-CG2 3.45Å; C83-V96 PolarHBondContact O-N 2.93Å; M85-V96 HydrophobicContact CE-CG2 3.77Å; V96-V98 PolarHBondContact O-N 2.67Å; V96-K100 HydrophobicContact CG1-CB 3.64Å; V96-Q101 HydrophobicContact CB-CG 4.1Å; V96-Q101 HydrophobicContact CG1-CG 4.31Å; V96-Q101 VanDerWaalsContact O-CG 3.27Å; V96-Q101 WeakPolarHBondContact O-CG 3.26Å; V96-Q101 PolarHBondContact O-NE2 3.34Å
97E96.9Very high97.1Very high67 Ų6748.7 Ų48.731%0.31325%0.246SC..PPolyproline II helixtrans-56.8138.5177.4-55.583.2176.200110.5K77 E99 K100 Q101K77-E97 IonicContact NZ-OE1 3.64Å; K77-E97 PolarHBondContact NZ-OE1 2.79Å; K77-E97 IonicContact NZ-OE2 3.16Å; E97-E99 WeakPolarHBondContact CB-OE1 3.41Å; E97-E99 PolarHBondContact O-N 2.89Å; E97-E99 VanDerWaalsContact O-N 3.08Å; E97-K100 CarbonylContact O-C 3.49Å; E97-K100 WeakPolarHBondContact O-CA 3.33Å; E97-K100 PolarHBondContact O-N 3.26Å; E97-Q101 WeakPolarHBondContact O-CG 3.45Å; E97-Q101 PolarHBondContact O-N 2.81Å
98V95.2Very high97.1Very high113 Ų11348.7 Ų48.769%0.68525%0.246SC*.G310 helixtrans-50.9-41.7-168.9174.10000112.6V96 K100 Q101V96-V98 PolarHBondContact O-N 2.67Å; V98-K100 PolarHBondContact O-N 2.63Å; V98-Q101 PolarHBondContact O-N 2.9Å
99E95.9Very high97.2Very high138 Ų13848.1 Ų48.165%0.64524%0.243SC*.G310 helixtrans-69-11.1179.767.7-82-170.300114.8E97E97-E99 WeakPolarHBondContact CB-OE1 3.41Å; E97-E99 PolarHBondContact O-N 2.89Å; E97-E99 VanDerWaalsContact O-N 3.08Å
100K94.9Very high97.3Very high65 Ų6546.7 Ų46.728%0.28324%0.237SC..G310 helixtrans-1150.6177.2-66.3173.7-170.1169.10113Y80 V96 E97 V98Y80-K100 WeakPolarHBondContact CA-O 3.39Å; Y80-K100 HydrophobicContact CD1-CB 4.24Å; Y80-K100 HydrophobicContact CD1-CG 4.15Å; Y80-K100 HydrophobicContact CE1-CB 4.27Å; Y80-K100 HydrophobicContact CE1-CG 3.68Å; V96-K100 HydrophobicContact CG1-CB 3.64Å; E97-K100 CarbonylContact O-C 3.49Å; E97-K100 WeakPolarHBondContact O-CA 3.33Å; E97-K100 PolarHBondContact O-N 3.26Å; V98-K100 PolarHBondContact O-N 2.63Å
101Q96.4Very high97.3Very high56 Ų5644.7 Ų44.726%0.26223%0.226SC..  trans-69.3139.8-177.2-72.3-173.9-0.900111.7T82 C83 E95 V96 E97 V98T82-Q101 WeakPolarHBondContact O-CA 3.18Å; C83-Q101 HydrophobicContact CB-CB 4.29Å; C83-Q101 HydrophobicContact CB-CG 4.26Å; E95-Q101 PolarHBondContact OE1-NE2 2.78Å; V96-Q101 HydrophobicContact CB-CG 4.1Å; V96-Q101 HydrophobicContact CG1-CG 4.31Å; V96-Q101 VanDerWaalsContact O-CG 3.27Å; V96-Q101 WeakPolarHBondContact O-CG 3.26Å; V96-Q101 PolarHBondContact O-NE2 3.34Å; E97-Q101 WeakPolarHBondContact O-CG 3.45Å; E97-Q101 PolarHBondContact O-N 2.81Å; V98-Q101 PolarHBondContact O-N 2.9Å
102G96.3Very high97.4Very high21 Ų2139.1 Ų39.122%0.21620%0.2CC..  trans-121.6-154.2163.200000112.2T81 T82 C83T81-G102 VanDerWaalsContact C-CA 3.43Å; T81-G102 CarbonylContact O-C 3.57Å; T81-G102 WeakPolarHBondContact O-CA 3.34Å; T82-G102 PolarHBondContact O-N 3.05Å; T82-G102 VanDerWaalsContact O-N 3.12Å; C83-G102 VanDerWaalsContact CB-O 3.28Å; C83-G102 WeakPolarHBondContact CB-O 3.47Å
103K96.6Very high97.2Very high50 Ų5034.2 Ų34.222%0.21718%0.177CC..SBendtrans-103.10.7-171.469-168.5176.9-1430115.1T18 D20 T81 K132T18-K103 PolarHBondContact OG1-NZ 2.85Å; D20-K103 IonicContact OD1-NZ 2.76Å; D20-K103 WeakPolarHBondContact OD2-CE 3.42Å; D20-K103 IonicContact OD2-NZ 3.76Å; D20-K103 PolarHBondContact OD2-NZ 3.05Å; T81-K103 PolarHBondContact O-N 2.96Å; K103-K132 PolarHBondContact O-N 3.46Å
104Y98.5Very high96.6Very high23 Ų2333.9 Ų33.99%0.0918%0.176CC..EExtended strand (participates in β ladder)trans-106153.7-176.4-64.5-65.9000113D20 L21 L24 T81 T82 C83 I129 Y130 V151D20-Y104 HydrophobicContact CB-CD2 4.44Å; D20-Y104 HydrophobicContact CB-CE2 3.69Å; L21-Y104 HydrophobicContact CB-CE2 4.09Å; L24-Y104 HydrophobicContact CD2-CD2 3.84Å; L24-Y104 HydrophobicContact CD2-CG 3.85Å; T81-Y104 WeakPolarHBondContact O-CB 3.13Å; T81-Y104 WeakPolarHBondContact O-CD2 3.29Å; T81-Y104 PolarHBondContact O-N 3.49Å; T82-Y104 CarbonylContact C-O 3.56Å; T82-Y104 VanDerWaalsContact CA-O 3.24Å; T82-Y104 WeakPolarHBondContact CA-O 2.97Å; C83-Y104 PolarHBondContact N-O 2.89Å; C83-Y104 PolarHBondContact SG-O 2.66Å; Y104-I129 HydrophobicContact CD1-CG2 3.81Å; Y104-I129 HydrophobicContact CG-CG2 4.09Å; Y104-Y130 CarbonylContact C-O 3.49Å; Y104-Y130 VanDerWaalsContact CA-O 3.32Å; Y104-Y130 WeakPolarHBondContact CA-O 3.21Å; Y104-Y130 WeakPolarHBondContact CD1-O 3.41Å; Y104-V151 HydrophobicContact CD1-CG2 4.12Å; Y104-V151 HydrophobicContact CE1-CG2 3.9Å
105I98.8Very high96Very high0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-120.8133.7173.8-59.4170000106.6L84 I129 Y130 K132 D142 A143L84-I105 HydrophobicContact CB-CG1 4.05Å; L84-I105 HydrophobicContact CB-CG2 4.18Å; L84-I105 VanDerWaalsContact O-CA 3.28Å; L84-I105 WeakPolarHBondContact O-CA 3.24Å; I105-I129 WeakPolarHBondContact O-CA 3.49Å; I105-Y130 PolarHBondContact N-O 2.94Å; I105-Y130 PolarHBondContact O-N 2.91Å; I105-K132 HydrophobicContact CD1-CB 4.22Å; I105-D142 HydrophobicContact CD1-CB 3.4Å; I105-D142 WeakPolarHBondContact CD1-O 3.41Å; I105-A143 HydrophobicContact CG2-CB 4.08Å
106V98.9Very high95.8Very high0 Ų033 Ų330%018%0.181CC..EExtended strand (participates in β ladder)trans-122.1114.7-176.5-1720000109.7L24 L76 T82 L84 M85 V86 F108 A128 I129L24-V106 HydrophobicContact CD1-CG2 4.13Å; L24-V106 HydrophobicContact CD2-CG2 4.09Å; L76-V106 HydrophobicContact CD1-CB 4.06Å; L76-V106 HydrophobicContact CD1-CG1 3.86Å; L76-V106 HydrophobicContact CD2-CB 4.49Å; L76-V106 HydrophobicContact CD2-CG1 4.29Å; L76-V106 HydrophobicContact CD2-CG2 4.1Å; T82-V106 HydrophobicContact CG2-CG2 3.99Å; L84-V106 PolarHBondContact O-N 3.12Å; L84-V106 VanDerWaalsContact O-N 3.08Å; M85-V106 CarbonylContact C-O 3.41Å; M85-V106 VanDerWaalsContact CA-O 3.25Å; M85-V106 WeakPolarHBondContact CA-O 3.28Å; V86-V106 PolarHBondContact N-O 2.83Å; V106-F108 HydrophobicContact CG1-CD1 4.11Å; V106-A128 WeakPolarHBondContact CA-O 3.45Å; V106-I129 HydrophobicContact CG2-CG1 4.48Å
107C98.9Very high95.4Very high0 Ų033.3 Ų33.30%018%0.183CC..EExtended strand (participates in β ladder)trans-97.2126.5169.4-55.90000107.8V86 F127 A128 L268V86-C107 HydrophobicContact CB-CB 4.27Å; V86-C107 CarbonylContact O-C 3.56Å; V86-C107 VanDerWaalsContact O-CA 3.28Å; V86-C107 WeakPolarHBondContact O-CA 3.46Å; C107-F127 CarbonylContact O-C 3.52Å; C107-F127 WeakPolarHBondContact O-CA 3.44Å; C107-A128 HydrophobicContact CB-CB 4.24Å; C107-A128 PolarHBondContact N-O 3.44Å; C107-A128 PolarHBondContact O-N 2.77Å; C107-L268 HydrophobicContact CB-CB 4.2Å
108F98.9Very high95Very high0 Ų033.6 Ų33.60%019%0.186CC..EExtended strand (participates in β ladder)trans-145.8147.4-175.965.4-88.2000113.3N69 F72 I73 L76 M85 V86 S87 E88 V106 P110 I126 F127 Y269N69-F108 WeakPolarHBondContact OD1-CE2 3.5Å; F72-F108 HydrophobicContact CB-CD2 4.01Å; F72-F108 HydrophobicContact CB-CE2 3.58Å; F72-F108 HydrophobicContact CB-CZ 3.93Å; F72-F108 HydrophobicContact CD1-CD2 4.04Å; F72-F108 HydrophobicContact CD1-CE2 4.47Å; F72-F108 HydrophobicContact CD1-CG 4.23Å; F72-F108 HydrophobicContact CG-CD2 4.09Å; F72-F108 HydrophobicContact CG-CE2 4.17Å; I73-F108 HydrophobicContact CG1-CZ 3.95Å; L76-F108 HydrophobicContact CD1-CD1 3.91Å; L76-F108 HydrophobicContact CD1-CE1 3.74Å; L76-F108 HydrophobicContact CD1-CZ 4.49Å; M85-F108 HydrophobicContact CB-CE1 4.05Å; M85-F108 HydrophobicContact CG-CE1 4.4Å; M85-F108 HydrophobicContact SD-CE1 4.37Å; V86-F108 PolarHBondContact O-N 3.2Å; S87-F108 WeakPolarHBondContact CA-O 3.41Å; S87-F108 WeakPolarHBondContact OG-CE2 3.49Å; E88-F108 PolarHBondContact N-O 3.24Å; E88-F108 VanDerWaalsContact N-O 3.16Å; V106-F108 HydrophobicContact CG1-CD1 4.11Å; F108-P110 HydrophobicContact CD2-CB 3.95Å; F108-P110 HydrophobicContact CD2-CG 4.33Å; F108-P110 HydrophobicContact CE2-CB 3.95Å; F108-P110 HydrophobicContact CE2-CG 4.23Å; F108-I126 CarbonylContact C-O 3.6Å; F108-I126 WeakPolarHBondContact CA-O 3.39Å; F108-I126 VanDerWaalsContact CB-O 3.24Å; F108-I126 WeakPolarHBondContact CB-O 3.29Å; F108-F127 HydrophobicContact CB-CB 4.21Å; F108-Y269 VanDerWaalsContact C-CB 3.47Å
109D98.7Very high94.9Very high1 Ų131.8 Ų31.81%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-102.1111.8160.9170-7.8000105.7L111 D112 S125 I126 Y269D109-L111 VanDerWaalsContact C-N 3.29Å; D109-L111 PolarHBondContact O-N 3.37Å; D109-L111 WeakPolarHBondContact OD1-CA 3.18Å; D109-L111 PolarHBondContact OD1-N 3.24Å; D109-D112 PolarHBondContact OD1-N 3.5Å; D109-D112 WeakPolarHBondContact OD2-CA 3.38Å; D109-D112 WeakPolarHBondContact OD2-CB 3.46Å; D109-D112 PolarHBondContact OD2-N 2.84Å; D109-S125 CarbonylContact O-C 3.51Å; D109-S125 WeakPolarHBondContact O-CA 3.46Å; D109-I126 HydrophobicContact CB-CB 4.14Å; D109-I126 HydrophobicContact CB-CD1 4.39Å; D109-I126 HydrophobicContact CB-CG1 4.32Å; D109-I126 PolarHBondContact N-O 2.86Å; D109-I126 PolarHBondContact O-N 3.31Å; D109-Y269 HydrophobicContact CB-CD2 4.2Å
110P97.8Very high94.8Very high0 Ų031.9 Ų31.90%018%0.182CC..EExtended strand (participates in β ladder)trans-72.4-23.6-175.631.8-34.8000112.3S68 N69 F72 E89 F108 S125S68-P110 WeakPolarHBondContact CB-O 3.27Å; S68-P110 WeakPolarHBondContact OG-CB 3.34Å; N69-P110 HydrophobicContact CB-CB 4.26Å; N69-P110 HydrophobicContact CB-CG 3.93Å; F72-P110 HydrophobicContact CD2-CB 4.28Å; E89-P110 HydrophobicContact CG-CG 3.84Å; F108-P110 HydrophobicContact CD2-CB 3.95Å; F108-P110 HydrophobicContact CD2-CG 4.33Å; F108-P110 HydrophobicContact CE2-CB 3.95Å; F108-P110 HydrophobicContact CE2-CG 4.23Å; P110-S125 WeakPolarHBondContact O-CB 3.49Å; P110-S125 PolarHBondContact O-OG 2.94Å
111L97.4Very high94.9Very high3 Ų331.4 Ų31.42%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-153.575.6179.7-15667.3000115.1T35 V39 L64 D65 D109 G113 I117 I123 G124 Y158T35-L111 HydrophobicContact CG2-CD1 4Å; V39-L111 HydrophobicContact CG2-CD1 4.3Å; L64-L111 HydrophobicContact CB-CD2 3.56Å; D65-L111 WeakPolarHBondContact OD1-CD2 3.22Å; D109-L111 VanDerWaalsContact C-N 3.29Å; D109-L111 PolarHBondContact O-N 3.37Å; D109-L111 WeakPolarHBondContact OD1-CA 3.18Å; D109-L111 PolarHBondContact OD1-N 3.24Å; L111-G113 PolarHBondContact O-N 3.08Å; L111-I117 HydrophobicContact CD2-CD1 3.51Å; L111-I117 HydrophobicContact CD2-CG1 4.41Å; L111-I117 HydrophobicContact CG-CD1 4.47Å; L111-I123 HydrophobicContact CD1-CD1 3.89Å; L111-I123 HydrophobicContact CD1-CG1 4.5Å; L111-I123 HydrophobicContact CD2-CD1 4.36Å; L111-I123 HydrophobicContact CG-CD1 4.24Å; L111-G124 CarbonylContact C-O 3.58Å; L111-G124 WeakPolarHBondContact CA-O 2.96Å; L111-Y158 HydrophobicContact CD1-CD2 4.21Å; L111-Y158 HydrophobicContact CD1-CE2 3.94Å
112D97.3Very high95Very high12 Ų1230.5 Ų30.56%0.06418%0.184CC..EExtended strand (participates in β ladder)trans-57.4137.5173.3169.661.2000112D109 I123 G124 I126 S237 M238 V239D109-D112 PolarHBondContact OD1-N 3.5Å; D109-D112 WeakPolarHBondContact OD2-CA 3.38Å; D109-D112 WeakPolarHBondContact OD2-CB 3.46Å; D109-D112 PolarHBondContact OD2-N 2.84Å; D112-I123 WeakPolarHBondContact O-CA 3.44Å; D112-I123 VanDerWaalsContact O-CB 3.26Å; D112-I123 WeakPolarHBondContact O-CB 3.22Å; D112-G124 PolarHBondContact N-O 2.58Å; D112-G124 PolarHBondContact O-N 3.34Å; D112-I126 HydrophobicContact CB-CD1 4Å; D112-I126 HydrophobicContact CB-CG1 4.22Å; D112-S237 PolarHBondContact OD2-OG 3.07Å; D112-M238 WeakPolarHBondContact OD1-CB 3.42Å; D112-M238 PolarHBondContact OD1-N 2.66Å; D112-M238 PolarHBondContact OD2-N 3.24Å; D112-V239 HydrophobicContact CB-CG2 3.69Å; D112-V239 WeakPolarHBondContact OD2-CB 3.16Å; D112-V239 VanDerWaalsContact OD2-CG2 3.3Å; D112-V239 WeakPolarHBondContact OD2-CG2 3.43Å; D112-V239 PolarHBondContact OD2-N 3.18Å
113G93.4Very high95.1Very high10 Ų1029.7 Ų29.710%0.10318%0.175CC..THydrogen-bonded Turntrans79.929.3176.900000112.9L111 S115 N116 I123L111-G113 PolarHBondContact O-N 3.08Å; G113-S115 PolarHBondContact O-N 3.37Å; G113-N116 WeakPolarHBondContact O-CA 3.4Å; G113-N116 VanDerWaalsContact O-CB 3.28Å; G113-N116 WeakPolarHBondContact O-CB 3.21Å; G113-N116 PolarHBondContact O-N 2.81Å; G113-I123 WeakPolarHBondContact O-CG2 2.96Å
114S84Confident95.2Very high26 Ų2627.3 Ų27.318%0.18217%0.165CC..G310 helixtrans-48.1-36.5178.565.30000113.6K62 D65 N116 I117K62-S114 VanDerWaalsContact CD-O 3.3Å; K62-S114 WeakPolarHBondContact CD-O 3.32Å; K62-S114 WeakPolarHBondContact CE-O 3.48Å; K62-S114 PolarHBondContact NZ-O 2.92Å; D65-S114 WeakPolarHBondContact OD1-CB 3.49Å; S114-N116 PolarHBondContact O-N 2.99Å; S114-I117 WeakPolarHBondContact O-CB 3.3Å; S114-I117 WeakPolarHBondContact O-CG1 3.33Å; S114-I117 PolarHBondContact O-N 2.76Å; S114-I117 VanDerWaalsContact O-N 3.08Å
115S86.9Confident95.2Very high84 Ų8426.2 Ų26.259%0.58716%0.16SC*.G310 helixtrans-53.4-27.8173.565.40000114.3G113G113-S115 PolarHBondContact O-N 3.37Å
116N93.2Very high95.2Very high23 Ų2326.2 Ų26.212%0.12316%0.16CC..G310 helixtrans-93.1-0.7-177.1-82.9-35000114.8G113 S114 C119 L120 V121 I123 V235 G236G113-N116 WeakPolarHBondContact O-CA 3.4Å; G113-N116 VanDerWaalsContact O-CB 3.28Å; G113-N116 WeakPolarHBondContact O-CB 3.21Å; G113-N116 PolarHBondContact O-N 2.81Å; S114-N116 PolarHBondContact O-N 2.99Å; N116-C119 PolarHBondContact O-SG 3.49Å; N116-L120 PolarHBondContact O-N 3.32Å; N116-V121 HydrophobicContact CB-CB 3.85Å; N116-V121 HydrophobicContact CB-CG1 4.13Å; N116-V121 PolarHBondContact O-N 2.94Å; N116-I123 HydrophobicContact CB-CG2 4.09Å; N116-V235 PolarHBondContact ND2-O 3.1Å; N116-G236 PolarHBondContact ND2-O 3.41Å; N116-G236 VanDerWaalsContact ND2-O 3.13Å
117I88.9Confident95.2Very high8 Ų826.3 Ų26.34%0.04116%0.161CC..THydrogen-bonded Turntrans-59-52.4-179.1-69.2176.6000111.7K62 L64 L111 S114 C119 L120 I123K62-I117 HydrophobicContact CB-CD1 4.31Å; K62-I117 HydrophobicContact CD-CB 4.21Å; K62-I117 HydrophobicContact CD-CD1 3.83Å; K62-I117 HydrophobicContact CD-CG1 4.43Å; L64-I117 HydrophobicContact CB-CD1 3.95Å; L64-I117 HydrophobicContact CD1-CD1 4.09Å; L64-I117 HydrophobicContact CD1-CG1 4.49Å; L64-I117 HydrophobicContact CD1-CG2 3.69Å; L111-I117 HydrophobicContact CD2-CD1 3.51Å; L111-I117 HydrophobicContact CD2-CG1 4.41Å; L111-I117 HydrophobicContact CG-CD1 4.47Å; S114-I117 WeakPolarHBondContact O-CB 3.3Å; S114-I117 WeakPolarHBondContact O-CG1 3.33Å; S114-I117 PolarHBondContact O-N 2.76Å; S114-I117 VanDerWaalsContact O-N 3.08Å; I117-C119 VanDerWaalsContact C-N 3.27Å; I117-C119 PolarHBondContact O-N 2.77Å; I117-L120 PolarHBondContact O-N 2.86Å; I117-L120 VanDerWaalsContact O-N 3.09Å; I117-I123 HydrophobicContact CG1-CD1 3.93Å; I117-I123 HydrophobicContact CG1-CG2 4.36Å
118D88.1Confident95.2Very high72 Ų7226.3 Ų26.339%0.38516%0.161SC..THydrogen-bonded Turntrans-72.4-23.2-169.5-56.3-55.1000112.5H48 G49 K62H48-D118 WeakPolarHBondContact CB-OD1 3.22Å; H48-D118 IonicContact CG-OD1 2.7Å; G49-D118 PolarHBondContact N-OD1 3.22Å; K62-D118 IonicContact NZ-OD2 2.7Å; K62-D118 PolarHBondContact NZ-OD2 2.82Å
119C93Very high95.2Very high76 Ų7626.3 Ų26.351%0.51416%0.161SC..THydrogen-bonded Turntrans-92.87.8175.164.10000113.6N116 I117 V121N116-C119 PolarHBondContact O-SG 3.49Å; I117-C119 VanDerWaalsContact C-N 3.27Å; I117-C119 PolarHBondContact O-N 2.77Å; C119-V121 PolarHBondContact O-N 2.75Å
120L94.6Very high95.2Very high140 Ų14026.3 Ų26.373%0.73316%0.16SC*.THydrogen-bonded Turntrans58.628175-53176.7000114.1N116 I117N116-L120 PolarHBondContact O-N 3.32Å; I117-L120 PolarHBondContact O-N 2.86Å; I117-L120 VanDerWaalsContact O-N 3.09Å
121V97.3Very high95.2Very high55 Ų5533.3 Ų33.333%0.33319%0.187SC..  trans-80.2162.2173.8171.30000109.2N116 C119 I123 V235N116-V121 HydrophobicContact CB-CB 3.85Å; N116-V121 HydrophobicContact CB-CG1 4.13Å; N116-V121 PolarHBondContact O-N 2.94Å; C119-V121 PolarHBondContact O-N 2.75Å; V121-I123 PolarHBondContact O-N 2.62Å; V121-V235 HydrophobicContact CG1-CG1 3.38Å
122S97.9Very high95.2Very high37 Ų3734.9 Ų34.926%0.25919%0.194SC..  trans-61.4136.1177.9-58.80000111.5G159 S237S122-G159 WeakPolarHBondContact OG-CA 3.28Å; S122-S237 WeakPolarHBondContact O-CB 3.49Å; S122-S237 PolarHBondContact O-OG 2.95Å
123I98.1Very high95Very high4 Ų440.1 Ų40.12%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-131.1177.4176.755.2176000108.7V39 L111 D112 G113 N116 I117 V121 Y158V39-I123 HydrophobicContact CG1-CD1 3.86Å; V39-I123 HydrophobicContact CG1-CG1 4.29Å; V39-I123 HydrophobicContact CG2-CD1 3.91Å; L111-I123 HydrophobicContact CD1-CD1 3.89Å; L111-I123 HydrophobicContact CD1-CG1 4.5Å; L111-I123 HydrophobicContact CD2-CD1 4.36Å; L111-I123 HydrophobicContact CG-CD1 4.24Å; D112-I123 WeakPolarHBondContact O-CA 3.44Å; D112-I123 VanDerWaalsContact O-CB 3.26Å; D112-I123 WeakPolarHBondContact O-CB 3.22Å; G113-I123 WeakPolarHBondContact O-CG2 2.96Å; N116-I123 HydrophobicContact CB-CG2 4.09Å; I117-I123 HydrophobicContact CG1-CD1 3.93Å; I117-I123 HydrophobicContact CG1-CG2 4.36Å; V121-I123 PolarHBondContact O-N 2.62Å; I123-Y158 HydrophobicContact CG1-CD2 4.09Å; I123-Y158 WeakPolarHBondContact O-CA 3.28Å; I123-Y158 PolarHBondContact O-N 3.37Å
124G98.4Very high94.9Very high0 Ų041.8 Ų41.80%023%0.226CC..EExtended strand (participates in β ladder)trans-157.2-174.7-178.200000115L111 D112 A156 Y158L111-G124 CarbonylContact C-O 3.58Å; L111-G124 WeakPolarHBondContact CA-O 2.96Å; D112-G124 PolarHBondContact N-O 2.58Å; D112-G124 PolarHBondContact O-N 3.34Å; G124-A156 CarbonylContact C-O 3.54Å; G124-A156 WeakPolarHBondContact CA-O 3.15Å; G124-Y158 VanDerWaalsContact C-CE2 3.49Å
125S98.9Very high95.3Very high0 Ų048.4 Ų48.40%026%0.259CS..EExtended strand (participates in β ladder)trans-131.9145.5165.9-53.70000107.8D109 P110 Y155 A156 Y158D109-S125 CarbonylContact O-C 3.51Å; D109-S125 WeakPolarHBondContact O-CA 3.46Å; P110-S125 WeakPolarHBondContact O-CB 3.49Å; P110-S125 PolarHBondContact O-OG 2.94Å; S125-Y155 CarbonylContact O-C 3.55Å; S125-Y155 WeakPolarHBondContact O-CA 3.33Å; S125-Y155 VanDerWaalsContact O-CB 3.29Å; S125-Y155 WeakPolarHBondContact O-CB 3.24Å; S125-A156 PolarHBondContact N-O 3.05Å; S125-A156 PolarHBondContact O-N 3.06Å; S125-Y158 WeakPolarHBondContact OG-CE2 3.25Å; S125-Y158 PolarHBondContact OG-OH 3.01Å
126I98.9Very high95.5Very high0 Ų047.1 Ų47.10%026%0.259CS..EExtended strand (participates in β ladder)trans-124.5141.3-176-45.4174.9000108.6F108 D109 D112 M238 V239 Y269 E270 P273 M274F108-I126 CarbonylContact C-O 3.6Å; F108-I126 WeakPolarHBondContact CA-O 3.39Å; F108-I126 VanDerWaalsContact CB-O 3.24Å; F108-I126 WeakPolarHBondContact CB-O 3.29Å; D109-I126 HydrophobicContact CB-CB 4.14Å; D109-I126 HydrophobicContact CB-CD1 4.39Å; D109-I126 HydrophobicContact CB-CG1 4.32Å; D109-I126 PolarHBondContact N-O 2.86Å; D109-I126 PolarHBondContact O-N 3.31Å; D112-I126 HydrophobicContact CB-CD1 4Å; D112-I126 HydrophobicContact CB-CG1 4.22Å; I126-M238 HydrophobicContact CD1-SD 4.32Å; I126-V239 HydrophobicContact CD1-CG2 3.8Å; I126-V239 HydrophobicContact CG1-CG2 3.49Å; I126-V239 VanDerWaalsContact CG1-CG2 3.49Å; I126-Y269 WeakPolarHBondContact CB-O 3.42Å; I126-Y269 WeakPolarHBondContact CG2-O 3.24Å; I126-E270 HydrophobicContact CD1-CB 4.45Å; I126-E270 HydrophobicContact CD1-CG 4.18Å; I126-P273 HydrophobicContact CG2-CB 3.72Å; I126-P273 HydrophobicContact CG2-CG 3.38Å; I126-M274 HydrophobicContact CD1-CE 3.62Å; I126-M274 HydrophobicContact CG1-CE 3.74Å; I126-M274 HydrophobicContact CG2-CE 4.05Å
127F98.9Very high95.6Very high2 Ų250.6 Ų50.61%0.00928%0.283CS..EExtended strand (participates in β ladder)trans-144.6144.8176.463.4-88.5000112.8L25 I28 I32 C107 F108 I129 A153 G154 L166 P273L25-F127 HydrophobicContact CD2-CE2 4.25Å; I28-F127 HydrophobicContact CD1-CD2 4.01Å; I28-F127 HydrophobicContact CD1-CE2 4.28Å; I28-F127 HydrophobicContact CD1-CG 4.42Å; I28-F127 HydrophobicContact CG2-CD1 3.95Å; I28-F127 HydrophobicContact CG2-CE1 3.84Å; I28-F127 HydrophobicContact CG2-CE2 4.48Å; I28-F127 HydrophobicContact CG2-CG 4.32Å; I28-F127 HydrophobicContact CG2-CZ 4.11Å; I32-F127 HydrophobicContact CD1-CE1 4.28Å; C107-F127 CarbonylContact O-C 3.52Å; C107-F127 WeakPolarHBondContact O-CA 3.44Å; F108-F127 HydrophobicContact CB-CB 4.21Å; F127-I129 HydrophobicContact CD2-CD1 4.16Å; F127-I129 HydrophobicContact CD2-CG1 4.21Å; F127-I129 HydrophobicContact CE2-CD1 4.3Å; F127-A153 WeakPolarHBondContact O-CA 3.16Å; F127-G154 WeakPolarHBondContact CD1-O 3.42Å; F127-G154 VanDerWaalsContact CE1-C 3.45Å; F127-G154 VanDerWaalsContact CZ-CA 3.44Å; F127-G154 PolarHBondContact N-O 2.8Å; F127-G154 PolarHBondContact O-N 3.13Å; F127-L166 HydrophobicContact CE2-CD1 4.07Å; F127-L166 HydrophobicContact CZ-CD1 4.02Å; F127-P273 WeakPolarHBondContact O-CB 3.4Å
128A98.9Very high95.9Very high0 Ų050.6 Ų50.60%028%0.284CS..EExtended strand (participates in β ladder)trans-128.3131.9175.700000108.5V106 C107 Y130 L150 P273V106-A128 WeakPolarHBondContact CA-O 3.45Å; C107-A128 HydrophobicContact CB-CB 4.24Å; C107-A128 PolarHBondContact N-O 3.44Å; C107-A128 PolarHBondContact O-N 2.77Å; A128-Y130 HydrophobicContact CB-CE2 4.26Å; A128-L150 HydrophobicContact CB-CD1 4.39Å; A128-L150 HydrophobicContact CB-CD2 3.56Å; A128-P273 HydrophobicContact CB-CB 3.98Å; A128-P273 HydrophobicContact CB-CG 4.18Å
129I98.9Very high96.3Very high0 Ų050 Ų500%028%0.283CS..EExtended strand (participates in β ladder)trans-117.9120.5-178-54.2172.6000109.1L21 L24 L25 I28 Y104 I105 V106 F127 L150 V151 A152L21-I129 HydrophobicContact CD1-CD1 4.09Å; L21-I129 HydrophobicContact CD1-CG2 4.25Å; L24-I129 HydrophobicContact CD2-CD1 3.9Å; L24-I129 HydrophobicContact CD2-CG1 4.33Å; L24-I129 HydrophobicContact CD2-CG2 3.72Å; L24-I129 HydrophobicContact CG-CD1 4.26Å; L25-I129 HydrophobicContact CD2-CD1 4Å; I28-I129 HydrophobicContact CD1-CD1 3.81Å; I28-I129 HydrophobicContact CD1-CG1 4.48Å; Y104-I129 HydrophobicContact CD1-CG2 3.81Å; Y104-I129 HydrophobicContact CG-CG2 4.09Å; I105-I129 WeakPolarHBondContact O-CA 3.49Å; V106-I129 HydrophobicContact CG2-CG1 4.48Å; F127-I129 HydrophobicContact CD2-CD1 4.16Å; F127-I129 HydrophobicContact CD2-CG1 4.21Å; F127-I129 HydrophobicContact CE2-CD1 4.3Å; I129-L150 WeakPolarHBondContact O-CD2 3.3Å; I129-V151 HydrophobicContact CB-CG2 4.1Å; I129-V151 HydrophobicContact CG2-CG2 3.67Å; I129-V151 VanDerWaalsContact O-CG2 3.27Å; I129-V151 WeakPolarHBondContact O-CG2 3.47Å; I129-V151 PolarHBondContact O-N 2.92Å; I129-A152 HydrophobicContact CB-CB 4.27Å; I129-A152 WeakPolarHBondContact CB-O 3.21Å; I129-A152 HydrophobicContact CD1-CB 4.07Å; I129-A152 PolarHBondContact N-O 2.7Å; I129-A152 PolarHBondContact O-N 3.31Å
130Y98.6Very high96.4Very high0 Ų049.2 Ų49.20%028%0.275CS..EExtended strand (participates in β ladder)trans-109.6160.6171.6-61.9-87.3000110.6Y104 I105 A128 Q145 Q149 L150 V272Y104-Y130 CarbonylContact C-O 3.49Å; Y104-Y130 VanDerWaalsContact CA-O 3.32Å; Y104-Y130 WeakPolarHBondContact CA-O 3.21Å; Y104-Y130 WeakPolarHBondContact CD1-O 3.41Å; I105-Y130 PolarHBondContact N-O 2.94Å; I105-Y130 PolarHBondContact O-N 2.91Å; A128-Y130 HydrophobicContact CB-CE2 4.26Å; Y130-Q145 HydrophobicContact CD1-CB 3.89Å; Y130-Q145 HydrophobicContact CE1-CB 3.92Å; Y130-Q149 HydrophobicContact CD1-CB 4.1Å; Y130-Q149 HydrophobicContact CE1-CB 4.27Å; Y130-L150 HydrophobicContact CD1-CD2 3.83Å; Y130-L150 HydrophobicContact CD1-CG 4.31Å; Y130-L150 HydrophobicContact CD2-CD2 3.8Å; Y130-L150 HydrophobicContact CE1-CD2 3.49Å; Y130-L150 VanDerWaalsContact CE1-CD2 3.49Å; Y130-L150 HydrophobicContact CE1-CG 3.71Å; Y130-L150 HydrophobicContact CE2-CD2 3.46Å; Y130-L150 VanDerWaalsContact CE2-CD2 3.46Å; Y130-L150 HydrophobicContact CE2-CG 4.44Å; Y130-L150 HydrophobicContact CG-CD2 3.98Å; Y130-V272 VanDerWaalsContact OH-CG1 3.27Å; Y130-V272 WeakPolarHBondContact OH-CG1 3.28Å
131R97.4Very high96.5Very high148 Ų14848.7 Ų48.756%0.55827%0.269SS*.EExtended strand (participates in β ladder)trans-95.3137.7165.6-168175.9179.9175-1.9109.1Q145 V151R131-Q145 PolarHBondContact O-NE2 2.91Å; R131-V151 HydrophobicContact CB-CG1 4.3Å
132K97Very high96.5Very high36 Ų3646.4 Ų46.416%0.15726%0.255CS..  trans-58138.3170.7-175.7177.8-173.5-82.70110.2K103 I105 S134 G136 P138 D142K103-K132 PolarHBondContact O-N 3.46Å; I105-K132 HydrophobicContact CD1-CB 4.22Å; K132-S134 VanDerWaalsContact CE-OG 3.24Å; K132-S134 WeakPolarHBondContact CE-OG 3.35Å; K132-S134 PolarHBondContact NZ-O 3.13Å; K132-S134 PolarHBondContact NZ-OG 2.9Å; K132-G136 WeakPolarHBondContact CE-O 3.28Å; K132-G136 PolarHBondContact NZ-O 3.26Å; K132-P138 HydrophobicContact CD-CB 4.42Å; K132-D142 WeakPolarHBondContact CE-OD2 3.01Å; K132-D142 HydrophobicContact CG-CB 4.44Å
133K92.7Very high96.5Very high122 Ų12244.7 Ų44.753%0.5324%0.243SC..  trans-110.3-34.6-177.3-77-175.3171.4168.60113.3D142 Q145 Q149K133-D142 PolarHBondContact N-OD1 3Å; K133-Q145 VanDerWaalsContact CD-OE1 3.26Å; K133-Q145 VanDerWaalsContact NZ-OE1 3.16Å; K133-Q149 VanDerWaalsContact NZ-CD 3.29Å
134S92.8Very high96.5Very high44 Ų4446.1 Ų46.131%0.30825%0.251SS..SBendtrans-68.1154.3179.469.20000111.5K132 D142K132-S134 VanDerWaalsContact CE-OG 3.24Å; K132-S134 WeakPolarHBondContact CE-OG 3.35Å; K132-S134 PolarHBondContact NZ-O 3.13Å; K132-S134 PolarHBondContact NZ-OG 2.9Å; S134-D142 VanDerWaalsContact CB-OD1 3.3Å; S134-D142 WeakPolarHBondContact CB-OD1 3.11Å; S134-D142 PolarHBondContact N-OD1 2.92Å; S134-D142 PolarHBondContact OG-OD1 2.85Å; S134-D142 PolarHBondContact OG-OD2 2.93Å
135D91.1Very high96.5Very high165 Ų16546.5 Ų46.588%0.88225%0.252SS*.SBendtrans-82.2154.3160.7-66.8-44.8000109.5
136G92Very high96.5Very high57 Ų5747.7 Ų47.759%0.58826%0.26SS*.SBendtrans83.3-158.3178.800000114.8K132K132-G136 WeakPolarHBondContact CE-O 3.28Å; K132-G136 PolarHBondContact NZ-O 3.26Å
137P94.3Very high96.4Very high96 Ų9647.7 Ų47.762%0.62326%0.26SS*.SBendtrans-60.3150.5178.5-23.534.8000113
138P96.2Very high96.4Very high9 Ų951 Ų516%0.05828%0.278CS..  trans-66.8142.1175.530.6-35.4000111.6C83 L84 E95 K132C83-P138 HydrophobicContact CB-CB 4.15Å; C83-P138 HydrophobicContact CB-CG 4.2Å; L84-P138 HydrophobicContact CB-CB 4.35Å; L84-P138 HydrophobicContact CD1-CB 4.49Å; E95-P138 HydrophobicContact CG-CG 3.89Å; K132-P138 HydrophobicContact CD-CB 4.42Å
139T95.9Very high96.3Very high60 Ų6054.8 Ų54.837%0.36830%0.295SS..  trans-125.6166.4173.977.80000111.3L84 E141 D142L84-T139 VanDerWaalsContact CD2-O 3.22Å; L84-T139 WeakPolarHBondContact CD2-O 3.43Å; T139-E141 WeakPolarHBondContact CB-OE2 3.33Å; T139-E141 PolarHBondContact O-N 3.46Å; T139-E141 PolarHBondContact OG1-N 3.36Å; T139-E141 PolarHBondContact OG1-OE2 2.9Å; T139-D142 PolarHBondContact N-OD2 3.3Å; T139-D142 VanDerWaalsContact N-OD2 3.09Å; T139-D142 WeakPolarHBondContact O-CB 3.27Å; T139-D142 PolarHBondContact O-N 2.79Å
140V96.4Very high96.3Very high58 Ų5855.4 Ų55.435%0.35230%0.299SS..Hα-helixtrans-56.8-36178.2177.20000111.2V93 D142 A143 L144 I300V93-V140 HydrophobicContact CG1-CB 4.39Å; V93-V140 HydrophobicContact CG1-CG1 4.16Å; V93-V140 HydrophobicContact CG1-CG2 3.95Å; V93-V140 HydrophobicContact CG2-CG2 3.69Å; V140-D142 PolarHBondContact O-N 2.91Å; V140-A143 WeakPolarHBondContact O-CB 3.49Å; V140-A143 PolarHBondContact O-N 3.48Å; V140-L144 HydrophobicContact CG1-CD1 4.36Å; V140-L144 HydrophobicContact CG1-CG 4.49Å; V140-L144 PolarHBondContact O-N 2.94Å; V140-I300 HydrophobicContact CG1-CG2 3.88Å
141E96.6Very high96.2Very high130 Ų13057.6 Ų57.661%0.60731%0.312SS*.Hα-helixtrans-60.1-29.4178.3-64.171.9-16000112.5T139 A143 L144T139-E141 WeakPolarHBondContact CB-OE2 3.33Å; T139-E141 PolarHBondContact O-N 3.46Å; T139-E141 PolarHBondContact OG1-N 3.36Å; T139-E141 PolarHBondContact OG1-OE2 2.9Å; E141-A143 PolarHBondContact O-N 2.67Å; E141-L144 PolarHBondContact O-N 3.38Å; E141-L144 VanDerWaalsContact O-N 3.16Å
142D97.1Very high96.3Very high7 Ų750.6 Ų50.64%0.03729%0.285CS..Hα-helixtrans-65.8-24.1174.6-73.7-63000112.4I105 K132 K133 S134 T139 V140 Q145I105-D142 HydrophobicContact CD1-CB 3.4Å; I105-D142 WeakPolarHBondContact CD1-O 3.41Å; K132-D142 WeakPolarHBondContact CE-OD2 3.01Å; K132-D142 HydrophobicContact CG-CB 4.44Å; K133-D142 PolarHBondContact N-OD1 3Å; S134-D142 VanDerWaalsContact CB-OD1 3.3Å; S134-D142 WeakPolarHBondContact CB-OD1 3.11Å; S134-D142 PolarHBondContact N-OD1 2.92Å; S134-D142 PolarHBondContact OG-OD1 2.85Å; S134-D142 PolarHBondContact OG-OD2 2.93Å; T139-D142 PolarHBondContact N-OD2 3.3Å; T139-D142 VanDerWaalsContact N-OD2 3.09Å; T139-D142 WeakPolarHBondContact O-CB 3.27Å; T139-D142 PolarHBondContact O-N 2.79Å; V140-D142 PolarHBondContact O-N 2.91Å; D142-Q145 WeakPolarHBondContact O-CG 3.29Å; D142-Q145 PolarHBondContact O-NE2 2.83Å
143A97.3Very high96.4Very high0 Ų048.9 Ų48.90%028%0.278CS..Hα-helixtrans-84.9-21.4173.800000113.2L84 V86 I105 V140 E141 Q145L84-A143 HydrophobicContact CD2-CB 4Å; V86-A143 HydrophobicContact CG2-CB 3.72Å; I105-A143 HydrophobicContact CG2-CB 4.08Å; V140-A143 WeakPolarHBondContact O-CB 3.49Å; V140-A143 PolarHBondContact O-N 3.48Å; E141-A143 PolarHBondContact O-N 2.67Å; A143-Q145 PolarHBondContact O-N 2.81Å
144L98.2Very high96.7Very high35 Ų3543 Ų4318%0.18325%0.253CS..  trans-84.254.4-177.5-60.3-179.3000111.7V140 E141 L268 P297 I300V140-L144 HydrophobicContact CG1-CD1 4.36Å; V140-L144 HydrophobicContact CG1-CG 4.49Å; V140-L144 PolarHBondContact O-N 2.94Å; E141-L144 PolarHBondContact O-N 3.38Å; E141-L144 VanDerWaalsContact O-N 3.16Å; L144-L268 HydrophobicContact CD2-CD1 4.4Å; L144-P297 HydrophobicContact CD2-CB 4.02Å; L144-I300 HydrophobicContact CD2-CG2 3.87Å
145Q98.4Very high97Very high8 Ų841 Ų414%0.03724%0.238CC..  trans-101.5145.9179.2-62.3-171.756.800111.3Y130 R131 K133 D142 A143 Q149 P297Y130-Q145 HydrophobicContact CD1-CB 3.89Å; Y130-Q145 HydrophobicContact CE1-CB 3.92Å; R131-Q145 PolarHBondContact O-NE2 2.91Å; K133-Q145 VanDerWaalsContact CD-OE1 3.26Å; K133-Q145 VanDerWaalsContact NZ-OE1 3.16Å; D142-Q145 WeakPolarHBondContact O-CG 3.29Å; D142-Q145 PolarHBondContact O-NE2 2.83Å; A143-Q145 PolarHBondContact O-N 2.81Å; Q145-Q149 HydrophobicContact CB-CB 4.33Å; Q145-P297 WeakPolarHBondContact O-CD 3.4Å; Q145-P297 WeakPolarHBondContact O-CG 3.28Å
146P98.4Very high97.3Very high24 Ų2433.1 Ų33.116%0.15620%0.196CC..  trans-66149.1172.325.6-29.8000111N148 Q149 I295 V296P146-N148 PolarHBondContact O-N 3.46Å; P146-N148 VanDerWaalsContact O-N 3.09Å; P146-Q149 HydrophobicContact CG-CG 3.89Å; P146-Q149 VanDerWaalsContact O-CB 3.31Å; P146-Q149 WeakPolarHBondContact O-CB 3.39Å; P146-Q149 WeakPolarHBondContact O-CG 3.42Å; P146-Q149 PolarHBondContact O-N 2.97Å; P146-I295 WeakPolarHBondContact CA-O 3.5Å; P146-I295 WeakPolarHBondContact CB-O 3.4Å; P146-V296 HydrophobicContact CB-CG2 4.21Å; P146-V296 HydrophobicContact CG-CG2 4.24Å
147G98.3Very high97.7Very high0 Ų031.3 Ų31.30%017%0.173CC..G310 helixtrans-61.3-22.1-174.200000115Q149 L150 L293G147-Q149 PolarHBondContact O-N 2.83Å; G147-Q149 VanDerWaalsContact O-N 3.1Å; G147-L150 WeakPolarHBondContact O-CB 3.32Å; G147-L150 WeakPolarHBondContact O-CG 3.17Å; G147-L150 PolarHBondContact O-N 2.83Å; G147-L150 VanDerWaalsContact O-N 3.13Å; G147-L293 PolarHBondContact N-O 3.37Å
148N97.4Very high97.9Very high73 Ų7327.1 Ų27.139%0.3915%0.145SC..G310 helixtrans-66.4-5.3172.765.927.6000113.8P146 L293 D294P146-N148 PolarHBondContact O-N 3.46Å; P146-N148 VanDerWaalsContact O-N 3.09Å; N148-L293 HydrophobicContact CB-CB 4.24Å; N148-L293 PolarHBondContact N-O 2.94Å; N148-D294 PolarHBondContact ND2-OD1 3.48Å
149Q98.1Very high97.9Very high78 Ų7827.9 Ų27.936%0.36415%0.154SC..G310 helixtrans-96.7-0.5174.5-54.7-61.5-61.100113.7Y130 K133 Q145 P146 G147 V151Y130-Q149 HydrophobicContact CD1-CB 4.1Å; Y130-Q149 HydrophobicContact CE1-CB 4.27Å; K133-Q149 VanDerWaalsContact NZ-CD 3.29Å; Q145-Q149 HydrophobicContact CB-CB 4.33Å; P146-Q149 HydrophobicContact CG-CG 3.89Å; P146-Q149 VanDerWaalsContact O-CB 3.31Å; P146-Q149 WeakPolarHBondContact O-CB 3.39Å; P146-Q149 WeakPolarHBondContact O-CG 3.42Å; P146-Q149 PolarHBondContact O-N 2.97Å; G147-Q149 PolarHBondContact O-N 2.83Å; G147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-V151 PolarHBondContact O-N 3.08Å
150L98.4Very high98Very high13 Ų1331.7 Ų31.77%0.06818%0.183CC..EExtended strand (participates in β ladder)trans-60.6133.5176.6-75.9176.3000111.5A128 I129 Y130 G147 A153 V272 Y276A128-L150 HydrophobicContact CB-CD1 4.39Å; A128-L150 HydrophobicContact CB-CD2 3.56Å; I129-L150 WeakPolarHBondContact O-CD2 3.3Å; Y130-L150 HydrophobicContact CD1-CD2 3.83Å; Y130-L150 HydrophobicContact CD1-CG 4.31Å; Y130-L150 HydrophobicContact CD2-CD2 3.8Å; Y130-L150 HydrophobicContact CE1-CD2 3.49Å; Y130-L150 VanDerWaalsContact CE1-CD2 3.49Å; Y130-L150 HydrophobicContact CE1-CG 3.71Å; Y130-L150 HydrophobicContact CE2-CD2 3.46Å; Y130-L150 VanDerWaalsContact CE2-CD2 3.46Å; Y130-L150 HydrophobicContact CE2-CG 4.44Å; Y130-L150 HydrophobicContact CG-CD2 3.98Å; G147-L150 WeakPolarHBondContact O-CB 3.32Å; G147-L150 WeakPolarHBondContact O-CG 3.17Å; G147-L150 PolarHBondContact O-N 2.83Å; G147-L150 VanDerWaalsContact O-N 3.13Å; L150-A153 HydrophobicContact CD1-CB 3.98Å; L150-V272 HydrophobicContact CD1-CG1 3.5Å; L150-V272 HydrophobicContact CG-CG1 4.12Å; L150-Y276 HydrophobicContact CB-CD2 3.72Å; L150-Y276 HydrophobicContact CB-CE2 3.71Å; L150-Y276 HydrophobicContact CB-CG 4.42Å; L150-Y276 HydrophobicContact CD1-CD2 3.74Å; L150-Y276 HydrophobicContact CD1-CG 3.78Å; L150-Y276 HydrophobicContact CG-CD2 4.37Å
151V97.3Very high98.1Very high47 Ų4731 Ų3129%0.28518%0.184SC..EExtended strand (participates in β ladder)trans-90.1-25.8170.8-61.90000111.9Y104 I129 R131 Q149Y104-V151 HydrophobicContact CD1-CG2 4.12Å; Y104-V151 HydrophobicContact CE1-CG2 3.9Å; I129-V151 HydrophobicContact CB-CG2 4.1Å; I129-V151 HydrophobicContact CG2-CG2 3.67Å; I129-V151 VanDerWaalsContact O-CG2 3.27Å; I129-V151 WeakPolarHBondContact O-CG2 3.47Å; I129-V151 PolarHBondContact O-N 2.92Å; R131-V151 HydrophobicContact CB-CG1 4.3Å; Q149-V151 PolarHBondContact O-N 3.08Å
152A98.4Very high98.2Very high0 Ų024.9 Ų24.90%016%0.155CC..EExtended strand (participates in β ladder)trans-160.3152.117500000109.8L21 I129 G167 L168L21-A152 HydrophobicContact CD1-CB 4.43Å; I129-A152 HydrophobicContact CB-CB 4.27Å; I129-A152 WeakPolarHBondContact CB-O 3.21Å; I129-A152 HydrophobicContact CD1-CB 4.07Å; I129-A152 PolarHBondContact N-O 2.7Å; I129-A152 PolarHBondContact O-N 3.31Å; A152-G167 VanDerWaalsContact CA-O 3.28Å; A152-G167 WeakPolarHBondContact CA-O 3.43Å; A152-L168 HydrophobicContact CB-CD2 3.66Å
153A98.9Very high98.3Very high0 Ų025.2 Ų25.20%016%0.159CC..EExtended strand (participates in β ladder)trans-149160.1168.200000109.7F127 L150 G167 P273 Y276F127-A153 WeakPolarHBondContact O-CA 3.16Å; L150-A153 HydrophobicContact CD1-CB 3.98Å; A153-G167 PolarHBondContact N-O 3.1Å; A153-G167 VanDerWaalsContact N-O 3.13Å; A153-G167 PolarHBondContact O-N 3.04Å; A153-P273 HydrophobicContact CB-CB 3.95Å; A153-Y276 HydrophobicContact CB-CD1 3.75Å; A153-Y276 HydrophobicContact CB-CE1 4.38Å; A153-Y276 HydrophobicContact CB-CG 4.17Å
154G98.8Very high98.3Very high0 Ų025.3 Ų25.30%016%0.159CC..EExtended strand (participates in β ladder)trans-168.8175.2178.900000112.6F127 V165F127-G154 WeakPolarHBondContact CD1-O 3.42Å; F127-G154 VanDerWaalsContact CE1-C 3.45Å; F127-G154 VanDerWaalsContact CZ-CA 3.44Å; F127-G154 PolarHBondContact N-O 2.8Å; F127-G154 PolarHBondContact O-N 3.13Å; G154-V165 CarbonylContact C-O 3.45Å; G154-V165 WeakPolarHBondContact CA-O 3.28Å
155Y98.9Very high98.4Very high0 Ų023.7 Ų23.70%015%0.151CC..EExtended strand (participates in β ladder)trans-142.1154.3167.460.9-101000110.4S125 L157 I164 V165 V239 H243 I246 M274 L277S125-Y155 CarbonylContact O-C 3.55Å; S125-Y155 WeakPolarHBondContact O-CA 3.33Å; S125-Y155 VanDerWaalsContact O-CB 3.29Å; S125-Y155 WeakPolarHBondContact O-CB 3.24Å; Y155-L157 HydrophobicContact CE2-CB 4.49Å; Y155-I164 CarbonylContact O-C 3.59Å; Y155-I164 WeakPolarHBondContact O-CA 3.45Å; Y155-V165 HydrophobicContact CD1-CB 4.28Å; Y155-V165 HydrophobicContact CD2-CB 4.26Å; Y155-V165 HydrophobicContact CD2-CG2 4.47Å; Y155-V165 HydrophobicContact CE1-CB 3.77Å; Y155-V165 HydrophobicContact CE1-CG1 3.99Å; Y155-V165 HydrophobicContact CE1-CG2 4.31Å; Y155-V165 HydrophobicContact CE2-CB 3.75Å; Y155-V165 HydrophobicContact CE2-CG2 3.61Å; Y155-V165 VanDerWaalsContact CZ-CB 3.47Å; Y155-V165 PolarHBondContact N-O 3.35Å; Y155-V165 PolarHBondContact O-N 3.46Å; Y155-V165 WeakPolarHBondContact OH-CG2 3.18Å; Y155-V239 HydrophobicContact CD2-CG1 3.54Å; Y155-V239 HydrophobicContact CE2-CG1 4.1Å; Y155-V239 HydrophobicContact CG-CG1 4.1Å; Y155-H243 HydrophobicContact CE2-CB 4.07Å; Y155-H243 AromaticContact CE2-ND1 3.63Å; Y155-H243 AromaticContact CZ-ND1 3.71Å; Y155-H243 WeakPolarHBondContact OH-CA 3.07Å; Y155-H243 PolarHBondContact OH-ND1 3.49Å; Y155-I246 HydrophobicContact CE1-CD1 4.14Å; Y155-M274 HydrophobicContact CD1-CE 3.7Å; Y155-M274 HydrophobicContact CD1-SD 3.54Å; Y155-M274 VanDerWaalsContact CD1-SD 3.54Å; Y155-M274 HydrophobicContact CE1-CE 4.47Å; Y155-M274 HydrophobicContact CE1-SD 3.99Å; Y155-M274 HydrophobicContact CG-CE 3.9Å; Y155-M274 HydrophobicContact CG-SD 4.35Å; Y155-L277 HydrophobicContact CD1-CD1 3.37Å; Y155-L277 HydrophobicContact CE1-CD1 3.6Å
156A98.9Very high98.4Very high0 Ų023.5 Ų23.50%015%0.15CC..EExtended strand (participates in β ladder)trans-101.2132162.800000109.4I32 G124 S125 Y158 A163 I164I32-A156 HydrophobicContact CB-CB 4.34Å; I32-A156 HydrophobicContact CD1-CB 3.91Å; I32-A156 HydrophobicContact CG1-CB 3.89Å; I32-A156 HydrophobicContact CG2-CB 3.47Å; I32-A156 VanDerWaalsContact CG2-CB 3.47Å; G124-A156 CarbonylContact C-O 3.54Å; G124-A156 WeakPolarHBondContact CA-O 3.15Å; S125-A156 PolarHBondContact N-O 3.05Å; S125-A156 PolarHBondContact O-N 3.06Å; A156-Y158 HydrophobicContact CB-CE1 4.02Å; A156-A163 CarbonylContact C-O 3.42Å; A156-A163 VanDerWaalsContact CA-O 3.24Å; A156-A163 WeakPolarHBondContact CA-O 3.24Å; A156-I164 HydrophobicContact CB-CG1 4.33Å
157L98.8Very high98.4Very high19 Ų1922.3 Ų22.310%0.09914%0.142CC..EExtended strand (participates in β ladder)trans-102.6124.4169.6172.763.7000108.6Y155 T162 A163 V239 A240 H243Y155-L157 HydrophobicContact CE2-CB 4.49Å; L157-T162 VanDerWaalsContact O-CA 3.23Å; L157-T162 WeakPolarHBondContact O-CA 3.43Å; L157-A163 PolarHBondContact N-O 3.4Å; L157-A163 PolarHBondContact O-N 3.22Å; L157-V239 HydrophobicContact CB-CG1 3.99Å; L157-V239 HydrophobicContact CD1-CG1 4.02Å; L157-A240 HydrophobicContact CD1-CB 4.17Å; L157-H243 HydrophobicContact CD2-CB 4.12Å
158Y98.4Very high98.2Very high9 Ų923.9 Ų23.94%0.03515%0.151CC..EExtended strand (participates in β ladder)trans-100.970.6171.5-47-62.2000109.3I32 T35 V39 L111 I123 G124 S125 A156 T162I32-Y158 HydrophobicContact CG2-CE1 3.93Å; T35-Y158 HydrophobicContact CG2-CE1 4.46Å; T35-Y158 HydrophobicContact CG2-CE2 3.8Å; V39-Y158 HydrophobicContact CG2-CD2 4.42Å; L111-Y158 HydrophobicContact CD1-CD2 4.21Å; L111-Y158 HydrophobicContact CD1-CE2 3.94Å; I123-Y158 HydrophobicContact CG1-CD2 4.09Å; I123-Y158 WeakPolarHBondContact O-CA 3.28Å; I123-Y158 PolarHBondContact O-N 3.37Å; G124-Y158 VanDerWaalsContact C-CE2 3.49Å; S125-Y158 WeakPolarHBondContact OG-CE2 3.25Å; S125-Y158 PolarHBondContact OG-OH 3.01Å; A156-Y158 HydrophobicContact CB-CE1 4.02Å; Y158-T162 HydrophobicContact CD1-CG2 4Å; Y158-T162 HydrophobicContact CE1-CG2 4.24Å
159G97.8Very high97.9Very high24 Ų2422.3 Ų22.325%0.24715%0.151CC..SBendtrans-102.1-145.7178.900000112.5S122 A161S122-G159 WeakPolarHBondContact OG-CA 3.28Å; G159-A161 CarbonylContact C-O 3.41Å; G159-A161 PolarHBondContact N-O 2.87Å; G159-A161 VanDerWaalsContact N-O 3.12Å; G159-A161 PolarHBondContact O-N 3.16Å
160S97.6Very high97.3Very high140 Ų14022 Ų2298%0.97916%0.158SC*.SBendtrans-57-31.3172.555.90000112.8
161A97.8Very high97.1Very high44 Ų4421.5 Ų21.536%0.36416%0.156SC..SBendtrans-125.3161.7162.400000109G159 T176G159-A161 CarbonylContact C-O 3.41Å; G159-A161 PolarHBondContact N-O 2.87Å; G159-A161 VanDerWaalsContact N-O 3.12Å; G159-A161 PolarHBondContact O-N 3.16Å; A161-T176 HydrophobicContact CB-CG2 4.2Å
162T98.8Very high97.1Very high1 Ų119.3 Ų19.31%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-90.6129.4167.9-72.90000109.8I32 S36 R40 L157 Y158 Y177 F184I32-T162 HydrophobicContact CG2-CG2 4.47Å; S36-T162 PolarHBondContact OG-OG1 3.42Å; R40-T162 VanDerWaalsContact CZ-OG1 3.23Å; R40-T162 PolarHBondContact NH1-OG1 3.48Å; R40-T162 PolarHBondContact NH2-OG1 3.5Å; L157-T162 VanDerWaalsContact O-CA 3.23Å; L157-T162 WeakPolarHBondContact O-CA 3.43Å; Y158-T162 HydrophobicContact CD1-CG2 4Å; Y158-T162 HydrophobicContact CE1-CG2 4.24Å; T162-Y177 WeakPolarHBondContact O-CB 3.29Å; T162-Y177 PolarHBondContact O-N 3.03Å; T162-F184 HydrophobicContact CG2-CE1 4.01Å; T162-F184 HydrophobicContact CG2-CZ 4.23Å
163A98.6Very high97.1Very high14 Ų1420.2 Ų20.212%0.11615%0.147CC..EExtended strand (participates in β ladder)trans-129.1148.8176.800000110.5A156 L157 F175A156-A163 CarbonylContact C-O 3.42Å; A156-A163 VanDerWaalsContact CA-O 3.24Å; A156-A163 WeakPolarHBondContact CA-O 3.24Å; L157-A163 PolarHBondContact N-O 3.4Å; L157-A163 PolarHBondContact O-N 3.22Å; A163-F175 CarbonylContact C-O 3.44Å; A163-F175 WeakPolarHBondContact CA-O 3.48Å
164I98.8Very high97.1Very high3 Ų320.3 Ų20.32%0.01515%0.149CC..EExtended strand (participates in β ladder)trans-110.6131.5164.1-71.1176.3000107.9L3 Q29 I32 Y155 A156 L166 G174 F175 F184L3-I164 HydrophobicContact CD2-CB 4.5Å; L3-I164 HydrophobicContact CD2-CD1 4.05Å; L3-I164 HydrophobicContact CD2-CG2 4.2Å; Q29-I164 HydrophobicContact CG-CD1 4.05Å; I32-I164 HydrophobicContact CB-CD1 4.36Å; I32-I164 HydrophobicContact CD1-CD1 3.54Å; I32-I164 HydrophobicContact CD1-CG1 3.95Å; I32-I164 HydrophobicContact CG2-CD1 4.07Å; I32-I164 HydrophobicContact CG2-CG1 4.16Å; Y155-I164 CarbonylContact O-C 3.59Å; Y155-I164 WeakPolarHBondContact O-CA 3.45Å; A156-I164 HydrophobicContact CB-CG1 4.33Å; I164-L166 HydrophobicContact CG2-CB 4.35Å; I164-G174 CarbonylContact O-C 3.58Å; I164-G174 WeakPolarHBondContact O-CA 3.29Å; I164-F175 PolarHBondContact N-O 2.91Å; I164-F175 PolarHBondContact O-N 3.09Å; I164-F184 HydrophobicContact CB-CD1 4.32Å; I164-F184 HydrophobicContact CB-CE1 4.28Å; I164-F184 HydrophobicContact CD1-CD1 3.97Å; I164-F184 HydrophobicContact CD1-CD2 3.77Å; I164-F184 HydrophobicContact CD1-CE1 3.62Å; I164-F184 HydrophobicContact CD1-CE2 3.42Å; I164-F184 VanDerWaalsContact CD1-CE2 3.42Å; I164-F184 HydrophobicContact CD1-CG 4.04Å; I164-F184 HydrophobicContact CD1-CZ 3.37Å; I164-F184 HydrophobicContact CG1-CD1 4.01Å; I164-F184 HydrophobicContact CG1-CE1 3.54Å; I164-F184 HydrophobicContact CG1-CE2 4.28Å; I164-F184 HydrophobicContact CG1-CZ 3.73Å
165V98.8Very high97.1Very high1 Ų120.3 Ų20.31%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-109.8128.2166.3177.70000108.1G154 Y155 V172 N173 M191 L277G154-V165 CarbonylContact C-O 3.45Å; G154-V165 WeakPolarHBondContact CA-O 3.28Å; Y155-V165 HydrophobicContact CD1-CB 4.28Å; Y155-V165 HydrophobicContact CD2-CB 4.26Å; Y155-V165 HydrophobicContact CD2-CG2 4.47Å; Y155-V165 HydrophobicContact CE1-CB 3.77Å; Y155-V165 HydrophobicContact CE1-CG1 3.99Å; Y155-V165 HydrophobicContact CE1-CG2 4.31Å; Y155-V165 HydrophobicContact CE2-CB 3.75Å; Y155-V165 HydrophobicContact CE2-CG2 3.61Å; Y155-V165 VanDerWaalsContact CZ-CB 3.47Å; Y155-V165 PolarHBondContact N-O 3.35Å; Y155-V165 PolarHBondContact O-N 3.46Å; Y155-V165 WeakPolarHBondContact OH-CG2 3.18Å; V165-V172 HydrophobicContact CG1-CG1 3.32Å; V165-N173 WeakPolarHBondContact CA-O 3.43Å; V165-M191 HydrophobicContact CG1-CE 4.45Å; V165-M191 HydrophobicContact CG1-SD 4.09Å; V165-M191 HydrophobicContact CG2-CE 4.2Å; V165-M191 HydrophobicContact CG2-SD 4.12Å; V165-L277 HydrophobicContact CG1-CD1 4.48Å; V165-L277 HydrophobicContact CG1-CD2 4.45Å
166L98.8Very high97.1Very high3 Ų322.5 Ų22.52%0.01616%0.162CC..EExtended strand (participates in β ladder)trans-132.7134.2-171.4179.268.3000110.9L3 V7 L25 F127 I164 L168 V172 N173 F175L3-L166 HydrophobicContact CD1-CD2 3.8Å; V7-L166 HydrophobicContact CG2-CD2 4.28Å; L25-L166 HydrophobicContact CD1-CD2 4.36Å; L25-L166 HydrophobicContact CD2-CD1 3.85Å; F127-L166 HydrophobicContact CE2-CD1 4.07Å; F127-L166 HydrophobicContact CZ-CD1 4.02Å; I164-L166 HydrophobicContact CG2-CB 4.35Å; L166-L168 HydrophobicContact CD1-CD2 4.03Å; L166-L168 HydrophobicContact CD2-CD1 4.3Å; L166-L168 HydrophobicContact CD2-CD2 4.08Å; L166-L168 HydrophobicContact CD2-CG 4.17Å; L166-L168 HydrophobicContact CG-CD2 4.06Å; L166-L168 HydrophobicContact CG-CG 4.16Å; L166-V172 WeakPolarHBondContact O-CA 3.38Å; L166-N173 PolarHBondContact N-O 3.41Å; L166-N173 PolarHBondContact O-N 3Å; L166-F175 HydrophobicContact CB-CE2 4.39Å
167G98.2Very high97.1Very high0 Ų024.5 Ų24.50%017%0.17CC..EExtended strand (participates in β ladder)trans-118.7134.7168.300000111.1A152 A153 G171A152-G167 VanDerWaalsContact CA-O 3.28Å; A152-G167 WeakPolarHBondContact CA-O 3.43Å; A153-G167 PolarHBondContact N-O 3.1Å; A153-G167 VanDerWaalsContact N-O 3.13Å; A153-G167 PolarHBondContact O-N 3.04Å; G167-G171 WeakPolarHBondContact CA-O 3.37Å
168L95.2Very high97.1Very high33 Ų3326.5 Ų26.517%0.17318%0.181CC..  trans-12223.3-179.9-59.1178.3000112.1F6 E10 L25 A152 L166 S170F6-L168 HydrophobicContact CE1-CD1 4.18Å; E10-L168 HydrophobicContact CB-CD1 4.24Å; E10-L168 HydrophobicContact CG-CD1 4.21Å; L25-L168 HydrophobicContact CD1-CD2 3.92Å; A152-L168 HydrophobicContact CB-CD2 3.66Å; L166-L168 HydrophobicContact CD1-CD2 4.03Å; L166-L168 HydrophobicContact CD2-CD1 4.3Å; L166-L168 HydrophobicContact CD2-CD2 4.08Å; L166-L168 HydrophobicContact CD2-CG 4.17Å; L166-L168 HydrophobicContact CG-CD2 4.06Å; L166-L168 HydrophobicContact CG-CG 4.16Å; L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 3.33Å
169G89.6Confident97Very high39 Ų3930.2 Ų30.240%0.40221%0.206SC..SBendtrans85.9-8.3-177.200000115.2Y276 Q280G169-Y276 WeakPolarHBondContact CA-OH 3.22Å; G169-Y276 PolarHBondContact N-OH 3.35Å; G169-Q280 VanDerWaalsContact C-OE1 3.26Å; G169-Q280 PolarHBondContact O-OE1 3.16Å
170S86.9Confident97Very high72 Ų7233.5 Ų33.550%0.50323%0.231SC..SBendtrans-120.844.9-179.755.60000112.2L168L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 3.33Å
171G93.1Very high96.9Very high3 Ų332 Ų323%0.03121%0.211CC..  trans94.1-174.4-176.800000113.8G167G167-G171 WeakPolarHBondContact CA-O 3.37Å
172V98.4Very high96.9Very high0 Ų030.7 Ų30.70%020%0.202CC..EExtended strand (participates in β ladder)trans-123.5137.1-171-179.60000109.8V165 L166 N190 M191 L277 Q280 A281V165-V172 HydrophobicContact CG1-CG1 3.32Å; L166-V172 WeakPolarHBondContact O-CA 3.38Å; V172-N190 CarbonylContact O-C 3.57Å; V172-N190 VanDerWaalsContact O-CA 3.24Å; V172-N190 WeakPolarHBondContact O-CA 3.37Å; V172-N190 PolarHBondContact O-N 3.21Å; V172-M191 HydrophobicContact CB-CB 4.22Å; V172-M191 HydrophobicContact CG1-CB 4.11Å; V172-M191 HydrophobicContact CG1-SD 4.28Å; V172-M191 PolarHBondContact O-N 2.93Å; V172-L277 HydrophobicContact CG1-CD2 4.18Å; V172-L277 HydrophobicContact CG2-CD2 4.18Å; V172-L277 WeakPolarHBondContact CG2-O 3.49Å; V172-Q280 HydrophobicContact CG2-CB 3.61Å; V172-A281 HydrophobicContact CB-CB 4.39Å; V172-A281 HydrophobicContact CG2-CB 4.04Å
173N98.7Very high96.9Very high19 Ų1933.4 Ų33.410%0.10221%0.214CC..EExtended strand (participates in β ladder)trans-134139.8-179.2-61.8-84.1000110.6F6 V165 L166 F175 L186 D188 N190F6-N173 HydrophobicContact CZ-CB 4.37Å; F6-N173 WeakPolarHBondContact CZ-ND2 3.39Å; V165-N173 WeakPolarHBondContact CA-O 3.43Å; L166-N173 PolarHBondContact N-O 3.41Å; L166-N173 PolarHBondContact O-N 3Å; N173-F175 HydrophobicContact CB-CE2 3.63Å; N173-F175 HydrophobicContact CB-CZ 3.92Å; N173-L186 HydrophobicContact CB-CD1 3.94Å; N173-D188 WeakPolarHBondContact CA-O 3.39Å; N173-N190 PolarHBondContact OD1-N 3.49Å
174G98.7Very high96.9Very high3 Ų332.8 Ų32.83%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-109.3133.8178.600000112.5I164 L186 T187 D188 M191I164-G174 CarbonylContact O-C 3.58Å; I164-G174 WeakPolarHBondContact O-CA 3.29Å; G174-L186 WeakPolarHBondContact O-CD1 3.47Å; G174-T187 PolarHBondContact O-N 2.86Å; G174-T187 PolarHBondContact O-OG1 2.99Å; G174-D188 PolarHBondContact N-O 3.18Å; G174-D188 PolarHBondContact O-N 3.06Å; G174-M191 PolarHBondContact N-SD 3.44Å; G174-M191 VanDerWaalsContact N-SD 3.44Å
175F98.8Very high96.9Very high0 Ų034.7 Ų34.70%022%0.221CC..EExtended strand (participates in β ladder)trans-125.5128-177.4-54.8-102.5000109.6L3 F6 A163 I164 L166 N173 F184 V185 L186L3-F175 HydrophobicContact CB-CD1 3.71Å; L3-F175 HydrophobicContact CB-CE1 4.03Å; L3-F175 HydrophobicContact CB-CG 4.14Å; L3-F175 HydrophobicContact CD1-CD1 4.04Å; L3-F175 HydrophobicContact CD1-CD2 3.94Å; L3-F175 HydrophobicContact CD1-CE1 3.74Å; L3-F175 HydrophobicContact CD1-CE2 3.66Å; L3-F175 HydrophobicContact CD1-CG 4.15Å; L3-F175 HydrophobicContact CD1-CZ 3.56Å; L3-F175 HydrophobicContact CD2-CG 4.47Å; L3-F175 HydrophobicContact CG-CD1 4.37Å; L3-F175 HydrophobicContact CG-CE1 4.47Å; L3-F175 HydrophobicContact CG-CG 4.48Å; F6-F175 HydrophobicContact CB-CE1 3.91Å; F6-F175 HydrophobicContact CB-CZ 4.14Å; F6-F175 HydrophobicContact CD1-CE1 4.22Å; F6-F175 AromaticContact CD1-CZ 3.57Å; F6-F175 HydrophobicContact CD1-CZ 3.57Å; F6-F175 HydrophobicContact CD2-CZ 4.28Å; F6-F175 AromaticContact CE1-CZ 4Å; F6-F175 HydrophobicContact CE1-CZ 4Å; F6-F175 AromaticContact CG-CE1 3.98Å; F6-F175 HydrophobicContact CG-CE1 3.98Å; F6-F175 AromaticContact CG-CZ 3.72Å; F6-F175 HydrophobicContact CG-CZ 3.72Å; A163-F175 CarbonylContact C-O 3.44Å; A163-F175 WeakPolarHBondContact CA-O 3.48Å; I164-F175 PolarHBondContact N-O 2.91Å; I164-F175 PolarHBondContact O-N 3.09Å; L166-F175 HydrophobicContact CB-CE2 4.39Å; N173-F175 HydrophobicContact CB-CE2 3.63Å; N173-F175 HydrophobicContact CB-CZ 3.92Å; F175-F184 HydrophobicContact CB-CB 3.96Å; F175-F184 HydrophobicContact CB-CD1 4.46Å; F175-V185 CarbonylContact C-O 3.4Å; F175-V185 WeakPolarHBondContact CA-O 3.16Å; F175-L186 HydrophobicContact CD1-CB 3.81Å; F175-L186 HydrophobicContact CD1-CD1 4.05Å; F175-L186 HydrophobicContact CE1-CB 3.73Å; F175-L186 HydrophobicContact CE1-CD1 3.63Å; F175-L186 HydrophobicContact CE1-CG 4.25Å; F175-L186 HydrophobicContact CE2-CD1 4.2Å; F175-L186 HydrophobicContact CG-CD1 4.49Å; F175-L186 HydrophobicContact CZ-CD1 3.69Å
176T98.8Very high96.9Very high45 Ų4536.3 Ų36.328%0.27623%0.229SC..EExtended strand (participates in β ladder)trans-96.3135.7177.2-59.10000109.9A161 V185 T187A161-T176 HydrophobicContact CB-CG2 4.2Å; T176-V185 PolarHBondContact N-O 2.91Å; T176-V185 PolarHBondContact O-N 2.96Å; T176-T187 WeakPolarHBondContact OG1-CG2 3.47Å; T176-T187 PolarHBondContact OG1-OG1 3.43Å
177Y98.8Very high96.9Very high42 Ų4239.3 Ų39.317%0.16525%0.248CC..EExtended strand (participates in β ladder)trans-74.5125.7176.6-173.6-124.6000110.6K33 T162 P179 F184K33-Y177 HydrophobicContact CD-CD2 4.3Å; K33-Y177 HydrophobicContact CD-CE2 3.43Å; K33-Y177 VanDerWaalsContact CD-CE2 3.43Å; K33-Y177 HydrophobicContact CG-CD2 4.19Å; K33-Y177 HydrophobicContact CG-CE2 3.56Å; T162-Y177 WeakPolarHBondContact O-CB 3.29Å; T162-Y177 PolarHBondContact O-N 3.03Å; Y177-P179 HydrophobicContact CD1-CB 4.48Å; Y177-P179 HydrophobicContact CD1-CG 3.98Å; Y177-P179 HydrophobicContact CE1-CB 4.06Å; Y177-P179 HydrophobicContact CE1-CG 4.06Å; Y177-P179 WeakPolarHBondContact O-CD 3.44Å; Y177-F184 HydrophobicContact CD2-CD1 4.25Å; Y177-F184 HydrophobicContact CD2-CD2 4.28Å; Y177-F184 HydrophobicContact CD2-CE1 4.06Å; Y177-F184 HydrophobicContact CD2-CE2 4.07Å; Y177-F184 HydrophobicContact CD2-CG 4.35Å; Y177-F184 AromaticContact CD2-CZ 3.93Å; Y177-F184 HydrophobicContact CD2-CZ 3.93Å; Y177-F184 HydrophobicContact CG-CE1 4.12Å; Y177-F184 HydrophobicContact CG-CZ 4.25Å
178D98.3Very high96.8Very high61 Ų6141.3 Ų41.333%0.32626%0.258SS..EExtended strand (participates in β ladder)trans-98106.1167.5-174.7-19.4000109.3A180 I181 G182 E183D178-A180 PolarHBondContact O-N 2.83Å; D178-A180 VanDerWaalsContact OD1-CB 3.27Å; D178-A180 WeakPolarHBondContact OD1-CB 3.3Å; D178-A180 PolarHBondContact OD1-N 3.07Å; D178-I181 HydrophobicContact CB-CD1 4.26Å; D178-I181 HydrophobicContact CB-CG1 3.8Å; D178-I181 PolarHBondContact O-N 3.46Å; D178-G182 WeakPolarHBondContact O-CA 3.34Å; D178-G182 PolarHBondContact O-N 3.25Å; D178-E183 PolarHBondContact N-O 3.22Å; D178-E183 PolarHBondContact O-N 3.16Å
179P96.2Very high97Very high88 Ų8843.9 Ų43.957%0.57128%0.277SS*.THydrogen-bonded Turntrans-66.7-20.5-179.6-18.932.6000114Y177 I181Y177-P179 HydrophobicContact CD1-CB 4.48Å; Y177-P179 HydrophobicContact CD1-CG 3.98Å; Y177-P179 HydrophobicContact CE1-CB 4.06Å; Y177-P179 HydrophobicContact CE1-CG 4.06Å; Y177-P179 WeakPolarHBondContact O-CD 3.44Å; P179-I181 VanDerWaalsContact C-N 3.34Å
180A97.4Very high97.3Very high92 Ų9246 Ų4676%0.7628%0.279SS*.THydrogen-bonded Turntrans-71.6-32.8-177.600000111.9D178D178-A180 PolarHBondContact O-N 2.83Å; D178-A180 VanDerWaalsContact OD1-CB 3.27Å; D178-A180 WeakPolarHBondContact OD1-CB 3.3Å; D178-A180 PolarHBondContact OD1-N 3.07Å
181I96.8Very high97.9Very high109 Ų10943.1 Ų43.156%0.55926%0.258SS*.THydrogen-bonded Turntrans-113.1-10.4179.860.9169.7000113.4D178 P179 E183D178-I181 HydrophobicContact CB-CD1 4.26Å; D178-I181 HydrophobicContact CB-CG1 3.8Å; D178-I181 PolarHBondContact O-N 3.46Å; P179-I181 VanDerWaalsContact C-N 3.34Å; I181-E183 HydrophobicContact CD1-CB 3.86Å; I181-E183 HydrophobicContact CD1-CG 4.31Å; I181-E183 HydrophobicContact CG1-CB 3.98Å; I181-E183 HydrophobicContact CG1-CG 4.41Å
182G97.3Very high98.1Very high17 Ų1749.2 Ų49.218%0.17528%0.28CS..THydrogen-bonded Turntrans74.727.3177.600000114.5K33 D178K33-G182 VanDerWaalsContact CD-O 3.28Å; K33-G182 WeakPolarHBondContact CD-O 3.27Å; K33-G182 PolarHBondContact NZ-O 3.08Å; D178-G182 WeakPolarHBondContact O-CA 3.34Å; D178-G182 PolarHBondContact O-N 3.25Å
183E98.3Very high98.1Very high57 Ų5749.8 Ų49.827%0.26628%0.283SS..EExtended strand (participates in β ladder)trans-124.2147.8-173.5-73.9-66141.800112.7T2 D178 I181T2-E183 HydrophobicContact CG2-CB 4.19Å; T2-E183 HydrophobicContact CG2-CG 4.29Å; D178-E183 PolarHBondContact N-O 3.22Å; D178-E183 PolarHBondContact O-N 3.16Å; I181-E183 HydrophobicContact CD1-CB 3.86Å; I181-E183 HydrophobicContact CD1-CG 4.31Å; I181-E183 HydrophobicContact CG1-CB 3.98Å; I181-E183 HydrophobicContact CG1-CG 4.41Å
184F98.8Very high98.1Very high1 Ų151.1 Ų51.10%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-88.9121.9168.8-75-79.1000109.8T2 L3 Q29 I32 K33 T162 I164 F175 Y177T2-F184 CarbonylContact C-O 3.55Å; T2-F184 WeakPolarHBondContact CA-O 3.27Å; L3-F184 HydrophobicContact CB-CB 3.74Å; L3-F184 HydrophobicContact CD2-CB 4.15Å; L3-F184 HydrophobicContact CD2-CG 4.43Å; L3-F184 PolarHBondContact N-O 3.44Å; Q29-F184 HydrophobicContact CB-CD2 4.45Å; Q29-F184 HydrophobicContact CB-CE2 4.41Å; Q29-F184 HydrophobicContact CG-CD2 4.18Å; Q29-F184 HydrophobicContact CG-CE2 4.44Å; I32-F184 HydrophobicContact CG2-CE2 4.46Å; I32-F184 HydrophobicContact CG2-CZ 3.78Å; K33-F184 HydrophobicContact CD-CE2 4.24Å; K33-F184 HydrophobicContact CG-CE2 3.7Å; K33-F184 HydrophobicContact CG-CZ 4.26Å; T162-F184 HydrophobicContact CG2-CE1 4.01Å; T162-F184 HydrophobicContact CG2-CZ 4.23Å; I164-F184 HydrophobicContact CB-CD1 4.32Å; I164-F184 HydrophobicContact CB-CE1 4.28Å; I164-F184 HydrophobicContact CD1-CD1 3.97Å; I164-F184 HydrophobicContact CD1-CD2 3.77Å; I164-F184 HydrophobicContact CD1-CE1 3.62Å; I164-F184 HydrophobicContact CD1-CE2 3.42Å; I164-F184 VanDerWaalsContact CD1-CE2 3.42Å; I164-F184 HydrophobicContact CD1-CG 4.04Å; I164-F184 HydrophobicContact CD1-CZ 3.37Å; I164-F184 HydrophobicContact CG1-CD1 4.01Å; I164-F184 HydrophobicContact CG1-CE1 3.54Å; I164-F184 HydrophobicContact CG1-CE2 4.28Å; I164-F184 HydrophobicContact CG1-CZ 3.73Å; F175-F184 HydrophobicContact CB-CB 3.96Å; F175-F184 HydrophobicContact CB-CD1 4.46Å; Y177-F184 HydrophobicContact CD2-CD1 4.25Å; Y177-F184 HydrophobicContact CD2-CD2 4.28Å; Y177-F184 HydrophobicContact CD2-CE1 4.06Å; Y177-F184 HydrophobicContact CD2-CE2 4.07Å; Y177-F184 HydrophobicContact CD2-CG 4.35Å; Y177-F184 AromaticContact CD2-CZ 3.93Å; Y177-F184 HydrophobicContact CD2-CZ 3.93Å; Y177-F184 HydrophobicContact CG-CE1 4.12Å; Y177-F184 HydrophobicContact CG-CZ 4.25Å
185V98.6Very high98.1Very high44 Ų4455.8 Ų55.827%0.26731%0.314SS..EExtended strand (participates in β ladder)trans-108.4132.5-177.9-1760000109.5F175 T176 T187F175-V185 CarbonylContact C-O 3.4Å; F175-V185 WeakPolarHBondContact CA-O 3.16Å; T176-V185 PolarHBondContact N-O 2.91Å; T176-V185 PolarHBondContact O-N 2.96Å; V185-T187 PolarHBondContact O-N 3.44Å; V185-T187 VanDerWaalsContact O-N 3.14Å
186L98.6Very high98.1Very high34 Ų3461.6 Ų61.618%0.17834%0.339CS..EExtended strand (participates in β ladder)trans-60.9117.4175.6-178.671.4000110.1M1 N173 G174 F175 P189M1-L186 HydrophobicContact CE-CB 4.4Å; M1-L186 HydrophobicContact CE-CD2 3.22Å; M1-L186 HydrophobicContact CE-CG 4.41Å; M1-L186 PolarHBondContact O-N 3.33Å; N173-L186 HydrophobicContact CB-CD1 3.94Å; G174-L186 WeakPolarHBondContact O-CD1 3.47Å; F175-L186 HydrophobicContact CD1-CB 3.81Å; F175-L186 HydrophobicContact CD1-CD1 4.05Å; F175-L186 HydrophobicContact CE1-CB 3.73Å; F175-L186 HydrophobicContact CE1-CD1 3.63Å; F175-L186 HydrophobicContact CE1-CG 4.25Å; F175-L186 HydrophobicContact CE2-CD1 4.2Å; F175-L186 HydrophobicContact CG-CD1 4.49Å; F175-L186 HydrophobicContact CZ-CD1 3.69Å; L186-P189 HydrophobicContact CD2-CB 4.14Å
187T98.5Very high98Very high67 Ų6760.1 Ų60.141%0.41133%0.333SS..EExtended strand (participates in β ladder)trans-115-25.4176.650.90000112.3G174 T176 V185G174-T187 PolarHBondContact O-N 2.86Å; G174-T187 PolarHBondContact O-OG1 2.99Å; T176-T187 WeakPolarHBondContact OG1-CG2 3.47Å; T176-T187 PolarHBondContact OG1-OG1 3.43Å; V185-T187 PolarHBondContact O-N 3.44Å; V185-T187 VanDerWaalsContact O-N 3.14Å
188D98Very high98Very high42 Ų4265.2 Ų65.223%0.22536%0.356CS..EExtended strand (participates in β ladder)trans-131.678.5-173.5-62.6-90.2000110.5N173 G174 M191 K247N173-D188 WeakPolarHBondContact CA-O 3.39Å; G174-D188 PolarHBondContact N-O 3.18Å; G174-D188 PolarHBondContact O-N 3.06Å; D188-M191 HydrophobicContact CB-CG 3.79Å; D188-M191 HydrophobicContact CB-SD 3.92Å; D188-K247 IonicContact OD1-NZ 3.8Å; D188-K247 PolarHBondContact OD1-NZ 3.4Å
189P97.6Very high98Very high86 Ų8663.2 Ų63.256%0.55835%0.346SS*.THydrogen-bonded Turntrans-65.8140.7173.925.5-31.6000111.4L186 M191L186-P189 HydrophobicContact CD2-CB 4.14Å; P189-M191 PolarHBondContact O-N 3.48Å
190N97.1Very high98.2Very high85 Ų8559.5 Ų59.546%0.45532%0.32SS..THydrogen-bonded Turntrans49.255169.9-172.448.5000113.3V172 N173 R192V172-N190 CarbonylContact O-C 3.57Å; V172-N190 VanDerWaalsContact O-CA 3.24Å; V172-N190 WeakPolarHBondContact O-CA 3.37Å; V172-N190 PolarHBondContact O-N 3.21Å; N173-N190 PolarHBondContact OD1-N 3.49Å; N190-R192 PolarHBondContact O-N 3.49Å; N190-R192 PolarHBondContact OD1-NH1 3.44Å; N190-R192 VanDerWaalsContact OD1-NH1 3.16Å; N190-R192 PolarHBondContact OD1-NH2 3.07Å
191M98.6Very high98.2Very high11 Ų1155.1 Ų55.15%0.05428%0.284CS..  trans-54.7135.2177.1-65.517664.700110.5V165 V172 G174 D188 P189 I246 K247V165-M191 HydrophobicContact CG1-CE 4.45Å; V165-M191 HydrophobicContact CG1-SD 4.09Å; V165-M191 HydrophobicContact CG2-CE 4.2Å; V165-M191 HydrophobicContact CG2-SD 4.12Å; V172-M191 HydrophobicContact CB-CB 4.22Å; V172-M191 HydrophobicContact CG1-CB 4.11Å; V172-M191 HydrophobicContact CG1-SD 4.28Å; V172-M191 PolarHBondContact O-N 2.93Å; G174-M191 PolarHBondContact N-SD 3.44Å; G174-M191 VanDerWaalsContact N-SD 3.44Å; D188-M191 HydrophobicContact CB-CG 3.79Å; D188-M191 HydrophobicContact CB-SD 3.92Å; P189-M191 PolarHBondContact O-N 3.48Å; M191-I246 HydrophobicContact CB-CG2 4.41Å; M191-I246 HydrophobicContact CE-CG2 3.59Å; M191-K247 HydrophobicContact CE-CD 3.81Å; M191-K247 HydrophobicContact CE-CG 4.19Å
192R98.5Very high98.3Very high130 Ų13050.3 Ų50.349%0.49126%0.259SS..  trans-131.9135.5178-69.1-67.2-178.8-112.37.3110.1N190 Q280 A281N190-R192 PolarHBondContact O-N 3.49Å; N190-R192 PolarHBondContact OD1-NH1 3.44Å; N190-R192 VanDerWaalsContact OD1-NH1 3.16Å; N190-R192 PolarHBondContact OD1-NH2 3.07Å; R192-Q280 PolarHBondContact NH1-O 2.91Å; R192-A281 CarbonylContact C-O 3.58Å; R192-A281 VanDerWaalsContact CA-O 3.29Å; R192-A281 WeakPolarHBondContact CA-O 3.4Å; R192-A281 WeakPolarHBondContact CD-O 3.39Å
193V98.6Very high98.4Very high12 Ų1251.9 Ų51.97%0.07326%0.264CS..  trans-79.8132.6174.2-175.60000107.2I246 M278 A281V193-I246 HydrophobicContact CG2-CB 4.36Å; V193-I246 HydrophobicContact CG2-CG1 4.24Å; V193-I246 HydrophobicContact CG2-CG2 4.19Å; V193-M278 HydrophobicContact CB-SD 4.21Å; V193-M278 HydrophobicContact CG1-SD 4.01Å; V193-M278 HydrophobicContact CG2-CE 4.39Å; V193-M278 HydrophobicContact CG2-SD 3.31Å; V193-M278 WeakPolarHBondContact CG2-SD 3.44Å; V193-A281 HydrophobicContact CG2-CB 3.6Å; V193-A281 PolarHBondContact N-O 3.19Å
194P98.6Very high98.4Very high48 Ų4852.3 Ų52.331%0.31227%0.266SS..  trans-56.1141.8170.9-26.335.4000111.5K196 S310P194-K196 PolarHBondContact O-N 2.9Å; P194-S310 WeakPolarHBondContact O-CA 3.47Å; P194-S310 WeakPolarHBondContact O-CB 3.32Å; P194-S310 PolarHBondContact O-OG 2.82Å
195E98.5Very high98.4Very high101 Ų10155.7 Ų55.747%0.47230%0.301SS..SBendtrans-57-36.9-179.4-177.659.9-153.500112.7S310 K311 S312E195-S310 CarbonylContact O-C 3.48Å; E195-S310 WeakPolarHBondContact O-CB 3.4Å; E195-K311 PolarHBondContact O-N 2.7Å; E195-S312 WeakPolarHBondContact O-CB 3.12Å; E195-S312 PolarHBondContact O-N 2.7Å; E195-S312 PolarHBondContact O-OG 2.82Å; E195-S312 PolarHBondContact OE1-OG 3.43Å
196K98.4Very high98.3Very high121 Ų12157.6 Ų57.653%0.52630%0.304SS..SBendtrans-141.2139.3175.5-171.9168.7-174.1164.10109.8P194 Y230P194-K196 PolarHBondContact O-N 2.9Å; K196-Y230 WeakPolarHBondContact CE-OH 3.29Å
197G97.7Very high98.3Very high15 Ų1557.5 Ų57.516%0.15531%0.308CS..  trans-111.4-158.4176.400000113.9S310 D313G197-S310 PolarHBondContact N-OG 2.73Å; G197-D313 PolarHBondContact N-OD2 3.05Å
198K98.1Very high98.2Very high148 Ų14858.2 Ų58.264%0.64332%0.321SS*.SBendtrans-146.318.5-17663.8-173.9177.9-173.30112.3Y230 G231K198-Y230 VanDerWaalsContact C-CD2 3.44Å; K198-Y230 WeakPolarHBondContact O-CA 3.2Å; K198-G231 PolarHBondContact O-N 2.84Å
199I98.9Very high98.2Very high20 Ų2058.5 Ų58.510%0.10332%0.322CS..EExtended strand (participates in β ladder)trans-132.5135.2-174.9-61.1176000108G231 R233 G250 I251I199-G231 VanDerWaalsContact CA-O 3.25Å; I199-G231 WeakPolarHBondContact CA-O 3.37Å; I199-G231 WeakPolarHBondContact CG2-O 3.36Å; I199-R233 HydrophobicContact CG2-CB 3.85Å; I199-R233 HydrophobicContact CG2-CG 3.93Å; I199-G250 CarbonylContact O-C 3.54Å; I199-G250 WeakPolarHBondContact O-CA 3.22Å; I199-I251 PolarHBondContact O-N 3.31Å
200Y98.8Very high98.2Very high10 Ų1054.9 Ų54.94%0.03930%0.297CS..EExtended strand (participates in β ladder)trans-116.1146.8162.972.2-90.9000109.3I202 E204 I218 K221 K222 G231 A232 R233 I251Y200-I202 HydrophobicContact CD2-CG2 3.78Å; Y200-I202 HydrophobicContact CE2-CG2 3.95Å; Y200-E204 VanDerWaalsContact CE2-OE1 3.26Å; Y200-E204 WeakPolarHBondContact CE2-OE1 3.4Å; Y200-E204 PolarHBondContact OH-OE1 3.01Å; Y200-I218 HydrophobicContact CD2-CD1 3.77Å; Y200-I218 HydrophobicContact CE2-CD1 4.25Å; Y200-I218 HydrophobicContact CE2-CG2 4.16Å; Y200-I218 HydrophobicContact CG-CD1 4.24Å; Y200-K221 HydrophobicContact CD1-CB 4.13Å; Y200-K221 HydrophobicContact CE1-CB 4.48Å; Y200-K222 WeakPolarHBondContact OH-CE 3.25Å; Y200-G231 PolarHBondContact N-O 3.3Å; Y200-A232 HydrophobicContact CE1-CB 4.04Å; Y200-A232 HydrophobicContact CE2-CB 4.02Å; Y200-A232 WeakPolarHBondContact OH-CB 3.25Å; Y200-R233 PolarHBondContact O-N 3.13Å; Y200-I251 CarbonylContact C-O 3.57Å; Y200-I251 WeakPolarHBondContact CA-O 3.09Å
201S98.9Very high98.1Very high0 Ų055.2 Ų55.20%030%0.296CS..EExtended strand (participates in β ladder)trans-132.6104.6-177.4-176.90000110R233 D241 R244 I251 F252 I253S201-R233 WeakPolarHBondContact CA-O 3.48Å; S201-R233 WeakPolarHBondContact CB-O 3.34Å; S201-R233 PolarHBondContact OG-O 3.09Å; S201-D241 PolarHBondContact OG-OD1 3.18Å; S201-R244 PolarHBondContact OG-NH2 3.42Å; S201-I251 PolarHBondContact N-O 3.43Å; S201-F252 WeakPolarHBondContact O-CA 3.38Å; S201-I253 PolarHBondContact O-N 3.36Å
202I98.8Very high98.1Very high7 Ų760.9 Ų60.94%0.03633%0.326CS..  trans-153.2149.1-179.4-169.8172.4000109.1Y200 E204 W210 V214 I218 Y234 I253 P255Y200-I202 HydrophobicContact CD2-CG2 3.78Å; Y200-I202 HydrophobicContact CE2-CG2 3.95Å; I202-E204 HydrophobicContact CG2-CG 4Å; I202-E204 PolarHBondContact O-N 3.38Å; I202-W210 HydrophobicContact CD1-CD2 4.49Å; I202-W210 HydrophobicContact CD1-CH2 3.99Å; I202-W210 HydrophobicContact CD1-CZ2 3.46Å; I202-W210 VanDerWaalsContact CD1-CZ2 3.46Å; I202-W210 HydrophobicContact CG1-CH2 4.47Å; I202-W210 HydrophobicContact CG1-CZ2 3.79Å; I202-W210 HydrophobicContact CG2-CH2 4.3Å; I202-W210 HydrophobicContact CG2-CZ2 4.38Å; I202-V214 HydrophobicContact CD1-CG1 3.81Å; I202-I218 HydrophobicContact CD1-CD1 4.44Å; I202-I218 HydrophobicContact CD1-CG1 4.33Å; I202-I218 HydrophobicContact CG2-CD1 3.81Å; I202-I218 HydrophobicContact CG2-CG1 4.28Å; I202-Y234 VanDerWaalsContact C-CD2 3.46Å; I202-I253 HydrophobicContact CB-CB 4.29Å; I202-I253 HydrophobicContact CD1-CB 4.06Å; I202-I253 HydrophobicContact CD1-CG2 4Å; I202-I253 HydrophobicContact CG1-CB 4.26Å; I202-P255 HydrophobicContact CD1-CG 4.11Å
203N98.4Very high98.1Very high50 Ų5055.1 Ų55.127%0.26731%0.307SS..  trans-78.996.7171.2-172.6-15.1000110.6G205 Y206 W210 Y234N203-G205 PolarHBondContact O-N 3.06Å; N203-G205 VanDerWaalsContact O-N 3.16Å; N203-G205 PolarHBondContact OD1-N 3.16Å; N203-Y206 HydrophobicContact CB-CD2 3.86Å; N203-Y206 HydrophobicContact CB-CE2 4.05Å; N203-Y206 WeakPolarHBondContact ND2-CE2 3.37Å; N203-Y206 PolarHBondContact O-N 2.88Å; N203-W210 VanDerWaalsContact O-CZ2 3.3Å; N203-W210 WeakPolarHBondContact O-CZ2 3.3Å; N203-Y234 HydrophobicContact CB-CD1 4.27Å; N203-Y234 HydrophobicContact CB-CE1 3.61Å; N203-Y234 HydrophobicContact CB-CE2 4.24Å
204E98.6Very high98.1Very high66 Ų6654.6 Ų54.631%0.30830%0.304SS..G310 helixtrans-65.8-11.7179.5-60.4-153.8-147.700115.2Y200 I202 Y206 A207 W210 K222Y200-E204 VanDerWaalsContact CE2-OE1 3.26Å; Y200-E204 WeakPolarHBondContact CE2-OE1 3.4Å; Y200-E204 PolarHBondContact OH-OE1 3.01Å; I202-E204 HydrophobicContact CG2-CG 4Å; I202-E204 PolarHBondContact O-N 3.38Å; E204-Y206 PolarHBondContact O-N 3.27Å; E204-Y206 VanDerWaalsContact O-N 3.14Å; E204-A207 VanDerWaalsContact O-CB 3.3Å; E204-A207 WeakPolarHBondContact O-CB 3.32Å; E204-A207 PolarHBondContact O-N 2.99Å; E204-W210 HydrophobicContact CB-CH2 4.14Å; E204-W210 HydrophobicContact CG-CH2 4.04Å; E204-K222 VanDerWaalsContact CD-NZ 3.28Å; E204-K222 VanDerWaalsContact OE1-CE 3.3Å; E204-K222 WeakPolarHBondContact OE1-CE 3.17Å; E204-K222 IonicContact OE1-NZ 3.66Å; E204-K222 PolarHBondContact OE1-NZ 2.83Å; E204-K222 IonicContact OE2-NZ 2.58Å; E204-K222 PolarHBondContact OE2-NZ 2.93Å
205G98.2Very high98.1Very high72 Ų7257.1 Ų57.174%0.74231%0.311SS*.G310 helixtrans-60.6-20172.600000113.3N203N203-G205 PolarHBondContact O-N 3.06Å; N203-G205 VanDerWaalsContact O-N 3.16Å; N203-G205 PolarHBondContact OD1-N 3.16Å
206Y98Very high98.1Very high85 Ų8556.1 Ų56.133%0.33331%0.308SS..G310 helixtrans-92.712.8176.5-60.8-59.1000114.1N203 E204 A208 D209 W210 T257N203-Y206 HydrophobicContact CB-CD2 3.86Å; N203-Y206 HydrophobicContact CB-CE2 4.05Å; N203-Y206 WeakPolarHBondContact ND2-CE2 3.37Å; N203-Y206 PolarHBondContact O-N 2.88Å; E204-Y206 PolarHBondContact O-N 3.27Å; E204-Y206 VanDerWaalsContact O-N 3.14Å; Y206-A208 VanDerWaalsContact C-N 3.26Å; Y206-A208 PolarHBondContact O-N 2.97Å; Y206-A208 VanDerWaalsContact O-N 3.12Å; Y206-D209 WeakPolarHBondContact O-CA 3.33Å; Y206-D209 WeakPolarHBondContact O-CB 3.4Å; Y206-D209 PolarHBondContact O-N 2.77Å; Y206-W210 VanDerWaalsContact O-CD1 3.24Å; Y206-W210 PolarHBondContact O-N 3.09Å; Y206-W210 PolarHBondContact O-NE1 2.93Å; Y206-T257 HydrophobicContact CG-CG2 4.38Å
207A97.7Very high98.1Very high32 Ų3250.4 Ų50.426%0.26428%0.284SS..G310 helixtrans-54.3-36.4-173.300000115E204 D209 W210E204-A207 VanDerWaalsContact O-CB 3.3Å; E204-A207 WeakPolarHBondContact O-CB 3.32Å; E204-A207 PolarHBondContact O-N 2.99Å; A207-D209 VanDerWaalsContact C-N 3.25Å; A207-D209 PolarHBondContact O-N 2.98Å; A207-W210 HydrophobicContact CB-CD2 4.44Å; A207-W210 HydrophobicContact CB-CE3 3.98Å; A207-W210 HydrophobicContact CB-CH2 4.05Å; A207-W210 HydrophobicContact CB-CZ3 3.75Å
208A97.2Very high98.1Very high82 Ų8249.9 Ų49.968%0.67828%0.277SS*.G310 helixtrans-72.3-19.1177.700000113.9Y206 K258Y206-A208 VanDerWaalsContact C-N 3.26Å; Y206-A208 PolarHBondContact O-N 2.97Å; Y206-A208 VanDerWaalsContact O-N 3.12Å; A208-K258 PolarHBondContact O-NZ 2.64Å
209D97.2Very high98.1Very high47 Ų4744.8 Ų44.825%0.25126%0.263SS..G310 helixtrans-98.6-9.7-175.9-95.325.6000113Y206 A207 T257 K258 S259Y206-D209 WeakPolarHBondContact O-CA 3.33Å; Y206-D209 WeakPolarHBondContact O-CB 3.4Å; Y206-D209 PolarHBondContact O-N 2.77Å; A207-D209 VanDerWaalsContact C-N 3.25Å; A207-D209 PolarHBondContact O-N 2.98Å; D209-T257 HydrophobicContact CB-CG2 4.23Å; D209-T257 WeakPolarHBondContact O-CA 3.15Å; D209-K258 PolarHBondContact O-N 3.32Å; D209-S259 WeakPolarHBondContact OD2-CB 3.43Å; D209-S259 PolarHBondContact OD2-OG 3.08Å
210W97.7Very high98.1Very high11 Ų1144.5 Ų44.54%0.04226%0.264CS..SBendtrans-70.9157.1176.3-62.3-22.1000112.2I202 N203 E204 Y206 A207 V214 F215 I218I202-W210 HydrophobicContact CD1-CD2 4.49Å; I202-W210 HydrophobicContact CD1-CH2 3.99Å; I202-W210 HydrophobicContact CD1-CZ2 3.46Å; I202-W210 VanDerWaalsContact CD1-CZ2 3.46Å; I202-W210 HydrophobicContact CG1-CH2 4.47Å; I202-W210 HydrophobicContact CG1-CZ2 3.79Å; I202-W210 HydrophobicContact CG2-CH2 4.3Å; I202-W210 HydrophobicContact CG2-CZ2 4.38Å; N203-W210 VanDerWaalsContact O-CZ2 3.3Å; N203-W210 WeakPolarHBondContact O-CZ2 3.3Å; E204-W210 HydrophobicContact CB-CH2 4.14Å; E204-W210 HydrophobicContact CG-CH2 4.04Å; Y206-W210 VanDerWaalsContact O-CD1 3.24Å; Y206-W210 PolarHBondContact O-N 3.09Å; Y206-W210 PolarHBondContact O-NE1 2.93Å; A207-W210 HydrophobicContact CB-CD2 4.44Å; A207-W210 HydrophobicContact CB-CE3 3.98Å; A207-W210 HydrophobicContact CB-CH2 4.05Å; A207-W210 HydrophobicContact CB-CZ3 3.75Å; W210-V214 HydrophobicContact CB-CB 4.19Å; W210-V214 HydrophobicContact CB-CG1 4.23Å; W210-V214 HydrophobicContact CD2-CG1 3.81Å; W210-V214 HydrophobicContact CE3-CG1 4.02Å; W210-V214 HydrophobicContact CG-CB 4.41Å; W210-V214 HydrophobicContact CG-CG1 3.91Å; W210-F215 HydrophobicContact CE3-CB 4.31Å; W210-F215 HydrophobicContact CE3-CD2 4.28Å; W210-I218 HydrophobicContact CH2-CG1 4.43Å; W210-I218 HydrophobicContact CZ3-CB 4.32Å; W210-I218 HydrophobicContact CZ3-CG1 4.21Å; W210-I218 HydrophobicContact CZ3-CG2 4.39Å
211E95.9Very high98.1Very high92 Ų9244.6 Ų44.643%0.4326%0.264SS..  trans-71.7155.3160.366.1-168.7171.600111.1G213 V214 F215 L321E211-G213 PolarHBondContact O-N 2.7Å; E211-G213 VanDerWaalsContact O-N 3.17Å; E211-V214 HydrophobicContact CG-CB 4.24Å; E211-V214 HydrophobicContact CG-CG2 3.78Å; E211-V214 PolarHBondContact O-N 2.71Å; E211-F215 PolarHBondContact O-N 3.43Å; E211-F215 VanDerWaalsContact O-N 3.13Å; E211-L321 HydrophobicContact CG-CD2 4.48Å; E211-L321 VanDerWaalsContact OE1-CD2 3.27Å; E211-L321 WeakPolarHBondContact OE1-CD2 3.03Å
212D97.4Very high98Very high129 Ų12948.9 Ų48.969%0.6928%0.283SS*.Hα-helixtrans-57.3-35.3-176.1-67.1-17000112.1F215 N216D212-F215 PolarHBondContact O-N 3.24Å; D212-N216 WeakPolarHBondContact O-CB 2.95Å; D212-N216 PolarHBondContact O-N 2.64Å; D212-N216 PolarHBondContact O-ND2 2.76Å
213G98.1Very high98Very high9 Ų951.6 Ų51.69%0.09330%0.297CS..Hα-helixtrans-59.1-50.1178.300000113E211 N216 Y217 Y320E211-G213 PolarHBondContact O-N 2.7Å; E211-G213 VanDerWaalsContact O-N 3.17Å; G213-N216 PolarHBondContact O-N 3.5Å; G213-Y217 WeakPolarHBondContact O-CB 3.36Å; G213-Y217 PolarHBondContact O-N 3.22Å; G213-Y320 WeakPolarHBondContact CA-O 3.19Å; G213-Y320 WeakPolarHBondContact O-CB 3.48Å
214V98.4Very high97.8Very high1 Ų153.8 Ų53.81%0.00632%0.315CS..Hα-helixtrans-62.7-46.5176.2174.40000110.5I202 W210 E211 N216 Y217 I218 P255 F307 L321I202-V214 HydrophobicContact CD1-CG1 3.81Å; W210-V214 HydrophobicContact CB-CB 4.19Å; W210-V214 HydrophobicContact CB-CG1 4.23Å; W210-V214 HydrophobicContact CD2-CG1 3.81Å; W210-V214 HydrophobicContact CE3-CG1 4.02Å; W210-V214 HydrophobicContact CG-CB 4.41Å; W210-V214 HydrophobicContact CG-CG1 3.91Å; E211-V214 HydrophobicContact CG-CB 4.24Å; E211-V214 HydrophobicContact CG-CG2 3.78Å; E211-V214 PolarHBondContact O-N 2.71Å; V214-N216 VanDerWaalsContact C-N 3.34Å; V214-N216 PolarHBondContact O-N 2.95Å; V214-Y217 PolarHBondContact O-N 3.31Å; V214-I218 WeakPolarHBondContact O-CG1 3.32Å; V214-I218 PolarHBondContact O-N 3.17Å; V214-P255 HydrophobicContact CG1-CB 4.39Å; V214-P255 HydrophobicContact CG1-CG 4.11Å; V214-P255 HydrophobicContact CG2-CB 3.82Å; V214-P255 HydrophobicContact CG2-CG 4.41Å; V214-F307 HydrophobicContact CG2-CE1 4.12Å; V214-F307 HydrophobicContact CG2-CZ 3.95Å; V214-L321 HydrophobicContact CG2-CD2 3.88Å
215F98.5Very high97.7Very high101 Ų10154.9 Ų54.944%0.44333%0.334SS..Hα-helixtrans-57.6-48178.9-178-87.8000111.7W210 E211 D212 Y217 I218 A219W210-F215 HydrophobicContact CE3-CB 4.31Å; W210-F215 HydrophobicContact CE3-CD2 4.28Å; E211-F215 PolarHBondContact O-N 3.43Å; E211-F215 VanDerWaalsContact O-N 3.13Å; D212-F215 PolarHBondContact O-N 3.24Å; F215-Y217 PolarHBondContact O-N 3.02Å; F215-I218 PolarHBondContact O-N 2.89Å; F215-A219 WeakPolarHBondContact O-CB 3.37Å; F215-A219 PolarHBondContact O-N 2.87Å
216N98.5Very high97.4Very high80 Ų8058.6 Ų58.643%0.42833%0.33SS..Hα-helixtrans-66.8-36.9-178.8-72.2-31.1000112.4D212 G213 V214 A220 Y320D212-N216 WeakPolarHBondContact O-CB 2.95Å; D212-N216 PolarHBondContact O-N 2.64Å; D212-N216 PolarHBondContact O-ND2 2.76Å; G213-N216 PolarHBondContact O-N 3.5Å; V214-N216 VanDerWaalsContact C-N 3.34Å; V214-N216 PolarHBondContact O-N 2.95Å; N216-A220 WeakPolarHBondContact O-CB 3.36Å; N216-A220 PolarHBondContact O-N 2.94Å; N216-Y320 HydrophobicContact CB-CD1 3.67Å; N216-Y320 HydrophobicContact CB-CE1 3.97Å
217Y98.6Very high97.1Very high2 Ų256.4 Ų56.41%0.00833%0.334CS..Hα-helixtrans-62.1-50.1173.4176-102.5000111G213 V214 F215 A219 A220 K221 I251 I253 D313 E316 A317 Y320G213-Y217 WeakPolarHBondContact O-CB 3.36Å; G213-Y217 PolarHBondContact O-N 3.22Å; V214-Y217 PolarHBondContact O-N 3.31Å; F215-Y217 PolarHBondContact O-N 3.02Å; Y217-A219 VanDerWaalsContact C-N 3.34Å; Y217-A219 PolarHBondContact O-N 2.83Å; Y217-A220 PolarHBondContact O-N 2.94Å; Y217-K221 HydrophobicContact CD1-CG 4.38Å; Y217-K221 HydrophobicContact CE1-CG 4.01Å; Y217-K221 HydrophobicContact CE2-CD 4.37Å; Y217-K221 HydrophobicContact CE2-CG 4.34Å; Y217-K221 VanDerWaalsContact CZ-CE 3.43Å; Y217-K221 WeakPolarHBondContact O-CG 3.14Å; Y217-K221 PolarHBondContact O-N 3.28Å; Y217-I251 HydrophobicContact CE1-CD1 4.41Å; Y217-I251 HydrophobicContact CE1-CG2 4.15Å; Y217-I253 HydrophobicContact CD1-CD1 3.94Å; Y217-I253 HydrophobicContact CE1-CD1 3.74Å; Y217-D313 PolarHBondContact OH-O 3.1Å; Y217-E316 HydrophobicContact CD2-CG 4.47Å; Y217-E316 HydrophobicContact CE2-CB 4.18Å; Y217-E316 HydrophobicContact CE2-CG 4.01Å; Y217-A317 HydrophobicContact CD1-CB 4.14Å; Y217-A317 HydrophobicContact CD2-CB 3.96Å; Y217-A317 HydrophobicContact CE1-CB 3.96Å; Y217-A317 HydrophobicContact CE2-CB 3.71Å; Y217-A317 HydrophobicContact CG-CB 4.14Å; Y217-Y320 AromaticContact CD2-CD2 3.97Å; Y217-Y320 HydrophobicContact CD2-CD2 3.97Å; Y217-Y320 HydrophobicContact CD2-CE2 4.09Å; Y217-Y320 HydrophobicContact CD2-CG 4.5Å
218I98.6Very high97Very high3 Ų364 Ų642%0.01536%0.36CS..Hα-helixtrans-63.8-40.3179.3-62.4-58.4000111.4Y200 I202 W210 V214 F215 A220 K221 K222 I253Y200-I218 HydrophobicContact CD2-CD1 3.77Å; Y200-I218 HydrophobicContact CE2-CD1 4.25Å; Y200-I218 HydrophobicContact CE2-CG2 4.16Å; Y200-I218 HydrophobicContact CG-CD1 4.24Å; I202-I218 HydrophobicContact CD1-CD1 4.44Å; I202-I218 HydrophobicContact CD1-CG1 4.33Å; I202-I218 HydrophobicContact CG2-CD1 3.81Å; I202-I218 HydrophobicContact CG2-CG1 4.28Å; W210-I218 HydrophobicContact CH2-CG1 4.43Å; W210-I218 HydrophobicContact CZ3-CB 4.32Å; W210-I218 HydrophobicContact CZ3-CG1 4.21Å; W210-I218 HydrophobicContact CZ3-CG2 4.39Å; V214-I218 WeakPolarHBondContact O-CG1 3.32Å; V214-I218 PolarHBondContact O-N 3.17Å; F215-I218 PolarHBondContact O-N 2.89Å; I218-A220 VanDerWaalsContact C-N 3.34Å; I218-A220 PolarHBondContact O-N 2.89Å; I218-K221 PolarHBondContact O-N 3.24Å; I218-K222 WeakPolarHBondContact O-CG 3.36Å; I218-K222 PolarHBondContact O-N 3.02Å; I218-I253 HydrophobicContact CD1-CD1 4.08Å
219A98.3Very high97Very high42 Ų4263 Ų6335%0.34735%0.347SS..Hα-helixtrans-59.1-45.4173.900000111.5F215 Y217 K221 K222 D223F215-A219 WeakPolarHBondContact O-CB 3.37Å; F215-A219 PolarHBondContact O-N 2.87Å; Y217-A219 VanDerWaalsContact C-N 3.34Å; Y217-A219 PolarHBondContact O-N 2.83Å; A219-K221 VanDerWaalsContact C-N 3.3Å; A219-K221 PolarHBondContact O-N 3.21Å; A219-K222 PolarHBondContact O-N 3.41Å; A219-K222 VanDerWaalsContact O-N 3.12Å; A219-D223 PolarHBondContact O-N 3.28Å; A219-D223 VanDerWaalsContact O-N 3.13Å
220A98.2Very high97.1Very high14 Ų1462.2 Ų62.212%0.11634%0.341CS..Hα-helixtrans-63.2-33.917700000112.8N216 Y217 I218 K222 D223 K226 Y320N216-A220 WeakPolarHBondContact O-CB 3.36Å; N216-A220 PolarHBondContact O-N 2.94Å; Y217-A220 PolarHBondContact O-N 2.94Å; I218-A220 VanDerWaalsContact C-N 3.34Å; I218-A220 PolarHBondContact O-N 2.89Å; A220-K222 PolarHBondContact O-N 2.88Å; A220-D223 PolarHBondContact O-N 2.92Å; A220-K226 HydrophobicContact CB-CG 4.34Å; A220-Y320 HydrophobicContact CB-CE1 4.37Å; A220-Y320 WeakPolarHBondContact CB-OH 3.44Å
221K98.4Very high97.1Very high12 Ų1263.1 Ų63.15%0.05235%0.354CS..Hα-helixtrans-70.3-16.9176.4-65.4-64.8155.2-1690114.1Y200 Y217 I218 A219 P229 Y230 E316Y200-K221 HydrophobicContact CD1-CB 4.13Å; Y200-K221 HydrophobicContact CE1-CB 4.48Å; Y217-K221 HydrophobicContact CD1-CG 4.38Å; Y217-K221 HydrophobicContact CE1-CG 4.01Å; Y217-K221 HydrophobicContact CE2-CD 4.37Å; Y217-K221 HydrophobicContact CE2-CG 4.34Å; Y217-K221 VanDerWaalsContact CZ-CE 3.43Å; Y217-K221 WeakPolarHBondContact O-CG 3.14Å; Y217-K221 PolarHBondContact O-N 3.28Å; I218-K221 PolarHBondContact O-N 3.24Å; A219-K221 VanDerWaalsContact C-N 3.3Å; A219-K221 PolarHBondContact O-N 3.21Å; K221-P229 CarbonylContact O-C 3.28Å; K221-P229 WeakPolarHBondContact O-CA 3.41Å; K221-Y230 HydrophobicContact CB-CG 4.41Å; K221-Y230 HydrophobicContact CD-CD1 3.86Å; K221-Y230 HydrophobicContact CD-CD2 3.86Å; K221-Y230 HydrophobicContact CD-CE1 3.84Å; K221-Y230 HydrophobicContact CD-CE2 3.85Å; K221-Y230 HydrophobicContact CD-CG 3.87Å; K221-Y230 PolarHBondContact NZ-OH 2.84Å; K221-Y230 PolarHBondContact O-N 2.82Å; K221-E316 VanDerWaalsContact CE-OE1 3.28Å; K221-E316 WeakPolarHBondContact CE-OE1 3.4Å; K221-E316 IonicContact NZ-OE1 3.22Å; K221-E316 PolarHBondContact NZ-OE1 2.95Å; K221-E316 IonicContact NZ-OE2 2.75Å; K221-E316 PolarHBondContact NZ-OE2 3.25Å
222K98.3Very high97.3Very high90 Ų9061 Ų6139%0.39135%0.352SS..Hα-helixtrans-95.4-23.4175.4-66.4171.8176.9-177.80113.1Y200 E204 I218 A219 A220 P224Y200-K222 WeakPolarHBondContact OH-CE 3.25Å; E204-K222 VanDerWaalsContact CD-NZ 3.28Å; E204-K222 VanDerWaalsContact OE1-CE 3.3Å; E204-K222 WeakPolarHBondContact OE1-CE 3.17Å; E204-K222 IonicContact OE1-NZ 3.66Å; E204-K222 PolarHBondContact OE1-NZ 2.83Å; E204-K222 IonicContact OE2-NZ 2.58Å; E204-K222 PolarHBondContact OE2-NZ 2.93Å; I218-K222 WeakPolarHBondContact O-CG 3.36Å; I218-K222 PolarHBondContact O-N 3.02Å; A219-K222 PolarHBondContact O-N 3.41Å; A219-K222 VanDerWaalsContact O-N 3.12Å; A220-K222 PolarHBondContact O-N 2.88Å; K222-P224 VanDerWaalsContact O-CD 3.25Å; K222-P224 WeakPolarHBondContact O-CD 3.31Å
223D97.3Very high97.3Very high63 Ų6361.7 Ų61.734%0.33735%0.345SS..  trans-74.7113.7-173.7-177.24000112A219 A220 A225 K226A219-D223 PolarHBondContact O-N 3.28Å; A219-D223 VanDerWaalsContact O-N 3.13Å; A220-D223 PolarHBondContact O-N 2.92Å; D223-A225 PolarHBondContact O-N 2.89Å; D223-A225 VanDerWaalsContact O-N 3.16Å; D223-A225 VanDerWaalsContact OD1-CB 3.25Å; D223-A225 WeakPolarHBondContact OD1-CB 3.45Å; D223-A225 PolarHBondContact OD1-N 3.17Å; D223-K226 HydrophobicContact CB-CB 4.31Å; D223-K226 HydrophobicContact CB-CG 3.99Å; D223-K226 PolarHBondContact O-N 3.46Å
224P95.6Very high97.3Very high97 Ų9765.1 Ų65.163%0.6336%0.356SS*.G310 helixtrans-60.6-23175.8-20.633.6000113.7K222 K226 G227 P229K222-P224 VanDerWaalsContact O-CD 3.25Å; K222-P224 WeakPolarHBondContact O-CD 3.31Å; P224-K226 PolarHBondContact O-N 2.89Å; P224-G227 CarbonylContact C-O 3.58Å; P224-G227 WeakPolarHBondContact CA-O 3.16Å; P224-G227 PolarHBondContact O-N 3.04Å; P224-P229 HydrophobicContact CB-CG 4.29Å; P224-P229 HydrophobicContact CG-CG 3.96Å
225A96Very high97.3Very high88 Ų8867.5 Ų67.573%0.72737%0.37SS*.G310 helixtrans-71.8-19.6175.900000112.7D223D223-A225 PolarHBondContact O-N 2.89Å; D223-A225 VanDerWaalsContact O-N 3.16Å; D223-A225 VanDerWaalsContact OD1-CB 3.25Å; D223-A225 WeakPolarHBondContact OD1-CB 3.45Å; D223-A225 PolarHBondContact OD1-N 3.17Å
226K91.2Very high97.3Very high151 Ų15163.8 Ų63.866%0.65736%0.361SS*.G310 helixtrans-91.82.4175-63.9-69.6-176.7175.40113.1A220 D223 P224A220-K226 HydrophobicContact CB-CG 4.34Å; D223-K226 HydrophobicContact CB-CB 4.31Å; D223-K226 HydrophobicContact CB-CG 3.99Å; D223-K226 PolarHBondContact O-N 3.46Å; P224-K226 PolarHBondContact O-N 2.89Å
227G92.4Very high97.2Very high39 Ų3960 Ų6040%0.40234%0.341SS..SBendtrans123.3-168.6-178.900000111.7P224 P229P224-G227 CarbonylContact C-O 3.58Å; P224-G227 WeakPolarHBondContact CA-O 3.16Å; P224-G227 PolarHBondContact O-N 3.04Å; G227-P229 VanDerWaalsContact O-CD 3.28Å; G227-P229 WeakPolarHBondContact O-CD 3.47Å
228K94.9Very high97.2Very high190 Ų19060.2 Ų60.283%0.82634%0.342SS*.SBendtrans-63.3122.6177.9-175.4174.4-178.4171.70109.5
229P98Very high97.2Very high61 Ų6160.1 Ų60.140%0.39634%0.341SS..PPolyproline II helixtrans-57.3142.3178.1-27.236.1000112K221 P224 G227K221-P229 CarbonylContact O-C 3.28Å; K221-P229 WeakPolarHBondContact O-CA 3.41Å; P224-P229 HydrophobicContact CB-CG 4.29Å; P224-P229 HydrophobicContact CG-CG 3.96Å; G227-P229 VanDerWaalsContact O-CD 3.28Å; G227-P229 WeakPolarHBondContact O-CD 3.47Å
230Y98.6Very high97.3Very high31 Ų3158.6 Ų58.612%0.12233%0.329CS..PPolyproline II helixtrans-77.7147.8177.8-80.439.7000109.6K196 K198 K221 D313K196-Y230 WeakPolarHBondContact CE-OH 3.29Å; K198-Y230 VanDerWaalsContact C-CD2 3.44Å; K198-Y230 WeakPolarHBondContact O-CA 3.2Å; K221-Y230 HydrophobicContact CB-CG 4.41Å; K221-Y230 HydrophobicContact CD-CD1 3.86Å; K221-Y230 HydrophobicContact CD-CD2 3.86Å; K221-Y230 HydrophobicContact CD-CE1 3.84Å; K221-Y230 HydrophobicContact CD-CE2 3.85Å; K221-Y230 HydrophobicContact CD-CG 3.87Å; K221-Y230 PolarHBondContact NZ-OH 2.84Å; K221-Y230 PolarHBondContact O-N 2.82Å; Y230-D313 VanDerWaalsContact CE2-OD1 3.31Å; Y230-D313 WeakPolarHBondContact CE2-OD1 3.19Å; Y230-D313 PolarHBondContact OH-OD1 2.86Å
231G98.6Very high97.3Very high31 Ų3158 Ų5832%0.3232%0.323SS..EExtended strand (participates in β ladder)trans-73.5128.1169.900000110.7K198 I199 Y200K198-G231 PolarHBondContact O-N 2.84Å; I199-G231 VanDerWaalsContact CA-O 3.25Å; I199-G231 WeakPolarHBondContact CA-O 3.37Å; I199-G231 WeakPolarHBondContact CG2-O 3.36Å; Y200-G231 PolarHBondContact N-O 3.3Å
232A98.8Very high97.3Very high47 Ų4757.4 Ų57.439%0.38832%0.321SS..EExtended strand (participates in β ladder)trans-75.2130.1168.800000110Y200Y200-A232 HydrophobicContact CE1-CB 4.04Å; Y200-A232 HydrophobicContact CE2-CB 4.02Å; Y200-A232 WeakPolarHBondContact OH-CB 3.25Å
233R98.8Very high97.3Very high144 Ų14454.8 Ų54.854%0.54331%0.31SS..  trans-140.4125.2168.7-68.8-65.8-178.6-85.73.6108.2I199 Y200 S201 R244I199-R233 HydrophobicContact CG2-CB 3.85Å; I199-R233 HydrophobicContact CG2-CG 3.93Å; Y200-R233 PolarHBondContact O-N 3.13Å; S201-R233 WeakPolarHBondContact CA-O 3.48Å; S201-R233 WeakPolarHBondContact CB-O 3.34Å; S201-R233 PolarHBondContact OG-O 3.09Å; R233-R244 VanDerWaalsContact CB-CZ 3.49Å; R233-R244 PolarHBondContact O-NH2 3Å
234Y98.6Very high97.4Very high81 Ų8153.3 Ų53.332%0.31830%0.299SS..  trans-144.6108174.9-171.6-106.7000107.9I202 N203 F252I202-Y234 VanDerWaalsContact C-CD2 3.46Å; N203-Y234 HydrophobicContact CB-CD1 4.27Å; N203-Y234 HydrophobicContact CB-CE1 3.61Å; N203-Y234 HydrophobicContact CB-CE2 4.24Å; Y234-F252 HydrophobicContact CE2-CE2 4.3Å
235V98.4Very high97.6Very high50 Ų5048.8 Ų48.830%0.30327%0.27SS..  trans-81.1-33.4179.1177.10000109.9N116 V121 A240 D241N116-V235 PolarHBondContact ND2-O 3.1Å; V121-V235 HydrophobicContact CG1-CG1 3.38Å; V235-A240 HydrophobicContact CB-CB 4.13Å; V235-A240 HydrophobicContact CG1-CB 3.8Å; V235-A240 HydrophobicContact CG2-CB 4.38Å; V235-D241 WeakPolarHBondContact CB-OD1 3.36Å; V235-D241 WeakPolarHBondContact CG2-OD1 3.32Å; V235-D241 PolarHBondContact N-OD1 3.16Å; V235-D241 PolarHBondContact N-OD2 2.9Å
236G97Very high97.7Very high24 Ų2444.6 Ų44.625%0.24724%0.236CC..SBendtrans87.210.9-176.900000113.9N116 D241N116-G236 PolarHBondContact ND2-O 3.41Å; N116-G236 VanDerWaalsContact ND2-O 3.13Å; G236-D241 PolarHBondContact N-OD2 3.48Å
237S97.8Very high98Very high1 Ų141.5 Ų41.51%0.00722%0.222CC..  trans-118.9127.1163.3153.60000107.1D112 S122 V239 A240 D241D112-S237 PolarHBondContact OD2-OG 3.07Å; S122-S237 WeakPolarHBondContact O-CB 3.49Å; S122-S237 PolarHBondContact O-OG 2.95Å; S237-V239 VanDerWaalsContact C-N 3.29Å; S237-V239 PolarHBondContact O-N 2.85Å; S237-A240 PolarHBondContact O-N 2.89Å; S237-A240 PolarHBondContact OG-N 2.98Å; S237-D241 PolarHBondContact O-N 2.87Å
238M98.4Very high98.3Very high6 Ų646.9 Ų46.93%0.0323%0.231CC..Hα-helixtrans-58.6-45.7-177.3-172.2-168.2-172.200110.2D112 I126 A240 D241 V242 F252 L265 E270 M274 I306 L308D112-M238 WeakPolarHBondContact OD1-CB 3.42Å; D112-M238 PolarHBondContact OD1-N 2.66Å; D112-M238 PolarHBondContact OD2-N 3.24Å; I126-M238 HydrophobicContact CD1-SD 4.32Å; M238-A240 VanDerWaalsContact C-N 3.33Å; M238-A240 PolarHBondContact O-N 3.16Å; M238-D241 PolarHBondContact O-N 2.76Å; M238-V242 HydrophobicContact CE-CG2 4.31Å; M238-V242 HydrophobicContact CG-CG2 3.84Å; M238-V242 VanDerWaalsContact O-CB 3.29Å; M238-V242 WeakPolarHBondContact O-CB 3.39Å; M238-V242 WeakPolarHBondContact O-CG2 3.43Å; M238-V242 PolarHBondContact O-N 2.74Å; M238-F252 HydrophobicContact CE-CE1 4.4Å; M238-F252 HydrophobicContact CG-CE1 4.14Å; M238-F252 HydrophobicContact CG-CZ 4.09Å; M238-L265 HydrophobicContact CE-CD1 3.89Å; M238-L265 HydrophobicContact CG-CD1 4.36Å; M238-L265 HydrophobicContact SD-CD1 3.91Å; M238-E270 HydrophobicContact SD-CB 3.75Å; M238-E270 HydrophobicContact SD-CG 4.45Å; M238-M274 HydrophobicContact CE-CB 3.71Å; M238-M274 HydrophobicContact CE-CG 3.58Å; M238-M274 HydrophobicContact SD-CG 3.99Å; M238-I306 HydrophobicContact CE-CD1 4.3Å; M238-L308 HydrophobicContact CE-CD2 4.19Å
239V98.6Very high98.5Very high0 Ų037.9 Ų37.90%019%0.193CC..Hα-helixtrans-57.8-45.7-179.8175.40000111.4D112 I126 Y155 L157 S237 H243 M274D112-V239 HydrophobicContact CB-CG2 3.69Å; D112-V239 WeakPolarHBondContact OD2-CB 3.16Å; D112-V239 VanDerWaalsContact OD2-CG2 3.3Å; D112-V239 WeakPolarHBondContact OD2-CG2 3.43Å; D112-V239 PolarHBondContact OD2-N 3.18Å; I126-V239 HydrophobicContact CD1-CG2 3.8Å; I126-V239 HydrophobicContact CG1-CG2 3.49Å; I126-V239 VanDerWaalsContact CG1-CG2 3.49Å; Y155-V239 HydrophobicContact CD2-CG1 3.54Å; Y155-V239 HydrophobicContact CE2-CG1 4.1Å; Y155-V239 HydrophobicContact CG-CG1 4.1Å; L157-V239 HydrophobicContact CB-CG1 3.99Å; L157-V239 HydrophobicContact CD1-CG1 4.02Å; S237-V239 VanDerWaalsContact C-N 3.29Å; S237-V239 PolarHBondContact O-N 2.85Å; V239-H243 WeakPolarHBondContact O-CB 3.02Å; V239-H243 PolarHBondContact O-N 2.96Å; V239-M274 HydrophobicContact CB-CE 4.23Å; V239-M274 HydrophobicContact CG2-CE 3.57Å
240A98.7Very high98.6Very high11 Ų1135 Ų359%0.09117%0.174CC..Hα-helixtrans-67.4-42.9-178.900000112.4L157 V235 S237 M238 R244L157-A240 HydrophobicContact CD1-CB 4.17Å; V235-A240 HydrophobicContact CB-CB 4.13Å; V235-A240 HydrophobicContact CG1-CB 3.8Å; V235-A240 HydrophobicContact CG2-CB 4.38Å; S237-A240 PolarHBondContact O-N 2.89Å; S237-A240 PolarHBondContact OG-N 2.98Å; M238-A240 VanDerWaalsContact C-N 3.33Å; M238-A240 PolarHBondContact O-N 3.16Å; A240-R244 PolarHBondContact O-N 2.6Å
241D98.9Very high98.6Very high0 Ų033.6 Ų33.60%017%0.168CC..Hα-helixtrans-70.1-40.7179.2-74.2-44.3000112.1S201 V235 G236 S237 M238 R244 T245 F252S201-D241 PolarHBondContact OG-OD1 3.18Å; V235-D241 WeakPolarHBondContact CB-OD1 3.36Å; V235-D241 WeakPolarHBondContact CG2-OD1 3.32Å; V235-D241 PolarHBondContact N-OD1 3.16Å; V235-D241 PolarHBondContact N-OD2 2.9Å; G236-D241 PolarHBondContact N-OD2 3.48Å; S237-D241 PolarHBondContact O-N 2.87Å; M238-D241 PolarHBondContact O-N 2.76Å; D241-R244 IonicContact OD1-CZ 2.76Å; D241-R244 IonicContact OD1-NH1 2.62Å; D241-R244 PolarHBondContact OD1-NH1 3.21Å; D241-R244 IonicContact OD1-NH2 2.75Å; D241-R244 PolarHBondContact OD1-NH2 3.28Å; D241-T245 WeakPolarHBondContact O-CB 3.44Å; D241-T245 PolarHBondContact O-N 3.38Å; D241-T245 PolarHBondContact O-OG1 3.24Å; D241-F252 HydrophobicContact CB-CD2 3.65Å; D241-F252 HydrophobicContact CB-CE2 3.86Å
242V98.9Very high98.6Very high0 Ų032.3 Ų32.30%015%0.154CC..Hα-helixtrans-66.3-43.4175175.90000111M238 R244 T245 I246 F252 M274 M278 L308M238-V242 HydrophobicContact CE-CG2 4.31Å; M238-V242 HydrophobicContact CG-CG2 3.84Å; M238-V242 VanDerWaalsContact O-CB 3.29Å; M238-V242 WeakPolarHBondContact O-CB 3.39Å; M238-V242 WeakPolarHBondContact O-CG2 3.43Å; M238-V242 PolarHBondContact O-N 2.74Å; V242-R244 VanDerWaalsContact C-N 3.34Å; V242-R244 PolarHBondContact O-N 2.92Å; V242-T245 CarbonylContact O-C 3.57Å; V242-T245 WeakPolarHBondContact O-CA 3.47Å; V242-T245 WeakPolarHBondContact O-CB 3.45Å; V242-T245 PolarHBondContact O-N 2.89Å; V242-I246 HydrophobicContact CG1-CD1 3.99Å; V242-I246 HydrophobicContact CG1-CG1 4.34Å; V242-I246 WeakPolarHBondContact O-CG1 3.19Å; V242-I246 PolarHBondContact O-N 2.98Å; V242-F252 HydrophobicContact CG2-CD1 4.44Å; V242-M274 HydrophobicContact CB-SD 4.03Å; V242-M274 HydrophobicContact CG1-CB 4.49Å; V242-M274 HydrophobicContact CG1-CG 4.49Å; V242-M274 HydrophobicContact CG1-SD 3.63Å; V242-M274 HydrophobicContact CG2-CG 4.31Å; V242-M274 HydrophobicContact CG2-SD 4.17Å; V242-M278 HydrophobicContact CG1-CE 4.39Å; V242-L308 HydrophobicContact CG1-CD1 4.22Å; V242-L308 HydrophobicContact CG2-CD1 3.93Å; V242-L308 HydrophobicContact CG2-CD2 4.17Å
243H98.9Very high98.6Very high35 Ų3530.1 Ų30.116%0.16214%0.136CC..Hα-helixtrans-58.7-46.2178.3-175.580.7000111.8Y155 L157 V239 T245 I246 K247Y155-H243 HydrophobicContact CE2-CB 4.07Å; Y155-H243 AromaticContact CE2-ND1 3.63Å; Y155-H243 AromaticContact CZ-ND1 3.71Å; Y155-H243 WeakPolarHBondContact OH-CA 3.07Å; Y155-H243 PolarHBondContact OH-ND1 3.49Å; L157-H243 HydrophobicContact CD2-CB 4.12Å; V239-H243 WeakPolarHBondContact O-CB 3.02Å; V239-H243 PolarHBondContact O-N 2.96Å; H243-T245 VanDerWaalsContact C-N 3.3Å; H243-T245 PolarHBondContact O-N 2.58Å; H243-I246 PolarHBondContact O-N 3.05Å; H243-K247 WeakPolarHBondContact O-CG 3.27Å; H243-K247 PolarHBondContact O-N 3.02Å; H243-K247 VanDerWaalsContact O-N 3.08Å
244R98.8Very high98.6Very high32 Ų3224.4 Ų24.412%0.12111%0.114CC..Hα-helixtrans-60.1-42.2173.7-176.2-175.162.4-104.12.5111.4S201 R233 A240 D241 V242 K247 Y248S201-R244 PolarHBondContact OG-NH2 3.42Å; R233-R244 VanDerWaalsContact CB-CZ 3.49Å; R233-R244 PolarHBondContact O-NH2 3Å; A240-R244 PolarHBondContact O-N 2.6Å; D241-R244 IonicContact OD1-CZ 2.76Å; D241-R244 IonicContact OD1-NH1 2.62Å; D241-R244 PolarHBondContact OD1-NH1 3.21Å; D241-R244 IonicContact OD1-NH2 2.75Å; D241-R244 PolarHBondContact OD1-NH2 3.28Å; V242-R244 VanDerWaalsContact C-N 3.34Å; V242-R244 PolarHBondContact O-N 2.92Å; R244-K247 PolarHBondContact O-N 2.95Å; R244-Y248 HydrophobicContact CG-CD2 3.61Å; R244-Y248 HydrophobicContact CG-CE2 4.19Å; R244-Y248 HydrophobicContact CG-CG 4.45Å; R244-Y248 WeakPolarHBondContact O-CB 3.42Å; R244-Y248 PolarHBondContact O-N 2.96Å
245T98.9Very high98.6Very high2 Ų220.8 Ų20.81%0.01210%0.101CC..Hα-helixtrans-62.2-42.5179.2-57.70000111.4D241 V242 H243 K247 G249 G250 M278 L308D241-T245 WeakPolarHBondContact O-CB 3.44Å; D241-T245 PolarHBondContact O-N 3.38Å; D241-T245 PolarHBondContact O-OG1 3.24Å; V242-T245 CarbonylContact O-C 3.57Å; V242-T245 WeakPolarHBondContact O-CA 3.47Å; V242-T245 WeakPolarHBondContact O-CB 3.45Å; V242-T245 PolarHBondContact O-N 2.89Å; H243-T245 VanDerWaalsContact C-N 3.3Å; H243-T245 PolarHBondContact O-N 2.58Å; T245-K247 PolarHBondContact O-N 3.02Å; T245-G249 WeakPolarHBondContact O-CA 3.31Å; T245-G249 PolarHBondContact O-N 2.88Å; T245-G250 WeakPolarHBondContact CG2-O 3.38Å; T245-M278 HydrophobicContact CG2-CE 3.92Å; T245-L308 HydrophobicContact CG2-CD1 4.49Å
246I98.7Very high98.5Very high1 Ų119.5 Ų19.51%0.00510%0.096CC..Hα-helixtrans-62.7-42.8175.3-66.6170.1000111.2Y155 M191 V193 V242 H243 M278Y155-I246 HydrophobicContact CE1-CD1 4.14Å; M191-I246 HydrophobicContact CB-CG2 4.41Å; M191-I246 HydrophobicContact CE-CG2 3.59Å; V193-I246 HydrophobicContact CG2-CB 4.36Å; V193-I246 HydrophobicContact CG2-CG1 4.24Å; V193-I246 HydrophobicContact CG2-CG2 4.19Å; V242-I246 HydrophobicContact CG1-CD1 3.99Å; V242-I246 HydrophobicContact CG1-CG1 4.34Å; V242-I246 WeakPolarHBondContact O-CG1 3.19Å; V242-I246 PolarHBondContact O-N 2.98Å; H243-I246 PolarHBondContact O-N 3.05Å; I246-M278 HydrophobicContact CD1-CE 4.45Å; I246-M278 HydrophobicContact CG1-CE 3.6Å; I246-M278 HydrophobicContact CG1-SD 4.3Å
247K98.3Very high98.5Very high85 Ų8519 Ų1937%0.379%0.088SC..Hα-helixtrans-77.9-38-174.2-69.8-78.8-84.8174.70113.7D188 M191 H243 R244 T245D188-K247 IonicContact OD1-NZ 3.8Å; D188-K247 PolarHBondContact OD1-NZ 3.4Å; M191-K247 HydrophobicContact CE-CD 3.81Å; M191-K247 HydrophobicContact CE-CG 4.19Å; H243-K247 WeakPolarHBondContact O-CG 3.27Å; H243-K247 PolarHBondContact O-N 3.02Å; H243-K247 VanDerWaalsContact O-N 3.08Å; R244-K247 PolarHBondContact O-N 2.95Å; T245-K247 PolarHBondContact O-N 3.02Å
248Y98.7Very high98.4Very high153 Ų15326.1 Ų26.160%0.612%0.118SC*.Hα-helixtrans-113.5-6-170.6-60.8-23.1000113.9R244R244-Y248 HydrophobicContact CG-CD2 3.61Å; R244-Y248 HydrophobicContact CG-CE2 4.19Å; R244-Y248 HydrophobicContact CG-CG 4.45Å; R244-Y248 WeakPolarHBondContact O-CB 3.42Å; R244-Y248 PolarHBondContact O-N 2.96Å
249G98.7Very high98.2Very high1 Ų129.9 Ų29.91%0.0115%0.145CC..  trans70.5-179.7-172.100000112.5T245 S310T245-G249 WeakPolarHBondContact O-CA 3.31Å; T245-G249 PolarHBondContact O-N 2.88Å; G249-S310 VanDerWaalsContact CA-OG 3.25Å; G249-S310 WeakPolarHBondContact CA-OG 3.2Å
250G98.8Very high98.1Very high0 Ų031 Ų310%016%0.155CC..  trans105.3-158.5-174.200000110.2I199 T245 G309 S310 D313I199-G250 CarbonylContact O-C 3.54Å; I199-G250 WeakPolarHBondContact O-CA 3.22Å; T245-G250 WeakPolarHBondContact CG2-O 3.38Å; G250-G309 CarbonylContact O-C 3.43Å; G250-G309 WeakPolarHBondContact O-CA 3.37Å; G250-S310 PolarHBondContact N-OG 3.42Å; G250-S310 WeakPolarHBondContact O-CB 3.38Å; G250-S310 PolarHBondContact O-N 3.46Å; G250-D313 WeakPolarHBondContact CA-OD2 3.47Å
251I98.9Very high98Very high1 Ų135.1 Ų35.11%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-133.9137.8-174.1-166.7171.9000111.9I199 Y200 S201 Y217 I253 D313 V314 A317I199-I251 PolarHBondContact O-N 3.31Å; Y200-I251 CarbonylContact C-O 3.57Å; Y200-I251 WeakPolarHBondContact CA-O 3.09Å; S201-I251 PolarHBondContact N-O 3.43Å; Y217-I251 HydrophobicContact CE1-CD1 4.41Å; Y217-I251 HydrophobicContact CE1-CG2 4.15Å; I251-I253 HydrophobicContact CD1-CD1 3.98Å; I251-I253 HydrophobicContact CD1-CG1 3.82Å; I251-I253 HydrophobicContact CG1-CD1 4.29Å; I251-I253 HydrophobicContact CG1-CG1 3.77Å; I251-I253 HydrophobicContact CG2-CD1 4.16Å; I251-I253 HydrophobicContact CG2-CG1 4.33Å; I251-D313 HydrophobicContact CB-CB 4.11Å; I251-V314 HydrophobicContact CD1-CB 4.32Å; I251-V314 HydrophobicContact CD1-CG2 3.91Å; I251-V314 HydrophobicContact CG1-CG2 4.01Å; I251-A317 HydrophobicContact CD1-CB 3.67Å
252F98.9Very high97.8Very high4 Ų438.7 Ų38.72%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-105.5131.4163.8172.6-96.2000109.2S201 Y234 M238 D241 V242 Y254 L265 I306 L308S201-F252 WeakPolarHBondContact O-CA 3.38Å; Y234-F252 HydrophobicContact CE2-CE2 4.3Å; M238-F252 HydrophobicContact CE-CE1 4.4Å; M238-F252 HydrophobicContact CG-CE1 4.14Å; M238-F252 HydrophobicContact CG-CZ 4.09Å; D241-F252 HydrophobicContact CB-CD2 3.65Å; D241-F252 HydrophobicContact CB-CE2 3.86Å; V242-F252 HydrophobicContact CG2-CD1 4.44Å; F252-Y254 HydrophobicContact CZ-CD2 4.27Å; F252-L265 HydrophobicContact CE1-CD1 4Å; F252-L265 HydrophobicContact CZ-CD1 4.27Å; F252-I306 HydrophobicContact CD1-CG2 4.31Å; F252-I306 HydrophobicContact CE1-CG2 3.93Å; F252-L308 HydrophobicContact CB-CD1 3.8Å; F252-L308 HydrophobicContact CB-CG 4.21Å; F252-L308 HydrophobicContact CD1-CD1 4.23Å; F252-L308 HydrophobicContact CD1-CD2 4.15Å; F252-L308 HydrophobicContact CD1-CG 3.99Å; F252-L308 HydrophobicContact CG-CD1 4.42Å; F252-L308 PolarHBondContact N-O 2.8Å; F252-L308 PolarHBondContact O-N 3.5Å
253I98.8Very high97.7Very high1 Ų138.8 Ų38.81%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-130.6125.2-177.8-51.2167.2000108.8S201 I202 Y217 I218 I251 P255 I306 F307S201-I253 PolarHBondContact O-N 3.36Å; I202-I253 HydrophobicContact CB-CB 4.29Å; I202-I253 HydrophobicContact CD1-CB 4.06Å; I202-I253 HydrophobicContact CD1-CG2 4Å; I202-I253 HydrophobicContact CG1-CB 4.26Å; Y217-I253 HydrophobicContact CD1-CD1 3.94Å; Y217-I253 HydrophobicContact CE1-CD1 3.74Å; I218-I253 HydrophobicContact CD1-CD1 4.08Å; I251-I253 HydrophobicContact CD1-CD1 3.98Å; I251-I253 HydrophobicContact CD1-CG1 3.82Å; I251-I253 HydrophobicContact CG1-CD1 4.29Å; I251-I253 HydrophobicContact CG1-CG1 3.77Å; I251-I253 HydrophobicContact CG2-CD1 4.16Å; I251-I253 HydrophobicContact CG2-CG1 4.33Å; I253-P255 HydrophobicContact CG2-CB 4.09Å; I253-P255 HydrophobicContact CG2-CG 4.2Å; I253-I306 WeakPolarHBondContact CA-O 3.47Å; I253-F307 HydrophobicContact CB-CD1 4.32Å; I253-F307 HydrophobicContact CD1-CD1 4.37Å; I253-F307 HydrophobicContact CG1-CD1 3.96Å; I253-F307 HydrophobicContact CG1-CE1 4.46Å; I253-F307 HydrophobicContact CG2-CD1 3.5Å; I253-F307 HydrophobicContact CG2-CE1 3.36Å; I253-F307 HydrophobicContact CG2-CG 4.24Å; I253-F307 HydrophobicContact CG2-CZ 3.99Å
254Y98.6Very high97.6Very high24 Ų2440.8 Ų40.89%0.09422%0.215CC..EExtended strand (participates in β ladder)trans-126.386.3163.1-150.3-53.7000107.4F252 K264 L265 P305 I306F252-Y254 HydrophobicContact CZ-CD2 4.27Å; Y254-K264 HydrophobicContact CD1-CB 4.11Å; Y254-K264 HydrophobicContact CE1-CB 3.4Å; Y254-K264 HydrophobicContact CE1-CD 4.34Å; Y254-K264 HydrophobicContact CE1-CG 4.46Å; Y254-K264 HydrophobicContact CE2-CD 4.49Å; Y254-K264 WeakPolarHBondContact OH-CD 3.43Å; Y254-L265 HydrophobicContact CD2-CD1 3.99Å; Y254-L265 HydrophobicContact CD2-CD2 3.79Å; Y254-L265 HydrophobicContact CD2-CG 3.9Å; Y254-L265 HydrophobicContact CE2-CD2 4.06Å; Y254-L265 HydrophobicContact CG-CD1 4Å; Y254-L265 HydrophobicContact CG-CD2 4.29Å; Y254-L265 HydrophobicContact CG-CG 3.91Å; Y254-P305 CarbonylContact O-C 3.15Å; Y254-P305 WeakPolarHBondContact O-CA 3.18Å; Y254-I306 PolarHBondContact N-O 3.33Å; Y254-I306 PolarHBondContact O-N 2.88Å
255P98.1Very high97.6Very high5 Ų539.8 Ų39.83%0.03221%0.212CC..  trans-79.6173.8-169.936.2-32.8000110.8I202 V214 I253 F307I202-P255 HydrophobicContact CD1-CG 4.11Å; V214-P255 HydrophobicContact CG1-CB 4.39Å; V214-P255 HydrophobicContact CG1-CG 4.11Å; V214-P255 HydrophobicContact CG2-CB 3.82Å; V214-P255 HydrophobicContact CG2-CG 4.41Å; I253-P255 HydrophobicContact CG2-CB 4.09Å; I253-P255 HydrophobicContact CG2-CG 4.2Å; P255-F307 HydrophobicContact CB-CZ 3.96Å
256A97.6Very high97.5Very high24 Ų2439.9 Ų39.920%0.19821%0.212CC..  trans-64.9150.116200000109.3P261 P305A256-P261 WeakPolarHBondContact CB-O 3.39Å; A256-P305 HydrophobicContact CB-CB 4.34Å
257T97.2Very high97.5Very high14 Ų1439.9 Ų39.99%0.08621%0.212CC..  trans-127.9161.4174.450.80000108.9Y206 D209 S259 A260 P261Y206-T257 HydrophobicContact CG-CG2 4.38Å; D209-T257 HydrophobicContact CB-CG2 4.23Å; D209-T257 WeakPolarHBondContact O-CA 3.15Å; T257-S259 PolarHBondContact O-N 3.24Å; T257-S259 PolarHBondContact OG1-OG 3.2Å; T257-A260 PolarHBondContact N-O 2.93Å; T257-A260 CarbonylContact O-C 3.51Å; T257-A260 PolarHBondContact O-N 3.33Å; T257-A260 VanDerWaalsContact O-N 3.1Å; T257-A260 WeakPolarHBondContact OG1-CB 3.48Å; T257-A260 PolarHBondContact OG1-N 3.45Å; T257-P261 WeakPolarHBondContact O-CA 3.38Å; T257-P261 VanDerWaalsContact O-N 3.12Å
258K95.4Very high97.6Very high149 Ų14935.9 Ų35.965%0.64820%0.195SC*.SBendtrans-54-39.2173.2-68.9170.4-169.4159.20112A208 D209A208-K258 PolarHBondContact O-NZ 2.64Å; D209-K258 PolarHBondContact O-N 3.32Å
259S94.4Very high97.6Very high85 Ų8528.6 Ų28.659%0.59417%0.166SC*.SBendtrans-79.3-24.2178.1490000114.1D209 T257D209-S259 WeakPolarHBondContact OD2-CB 3.43Å; D209-S259 PolarHBondContact OD2-OG 3.08Å; T257-S259 PolarHBondContact O-N 3.24Å; T257-S259 PolarHBondContact OG1-OG 3.2Å
260A96.1Very high97.6Very high24 Ų2428.9 Ų28.920%0.19817%0.167CC..  trans-133.181.1172.700000111.5T257 S262 G263T257-A260 PolarHBondContact N-O 2.93Å; T257-A260 CarbonylContact O-C 3.51Å; T257-A260 PolarHBondContact O-N 3.33Å; T257-A260 VanDerWaalsContact O-N 3.1Å; T257-A260 WeakPolarHBondContact OG1-CB 3.48Å; T257-A260 PolarHBondContact OG1-N 3.45Å; A260-S262 PolarHBondContact O-N 2.57Å; A260-S262 VanDerWaalsContact O-N 3.16Å; A260-G263 PolarHBondContact O-N 3.21Å
261P95.9Very high97.6Very high97 Ų9728.9 Ų28.963%0.6317%0.167SC*.THydrogen-bonded Turntrans-65.2-20.2-173.6-25.235.4000114.8A256 T257A256-P261 WeakPolarHBondContact CB-O 3.39Å; T257-P261 WeakPolarHBondContact O-CA 3.38Å; T257-P261 VanDerWaalsContact O-N 3.12Å
262S96.3Very high97.6Very high76 Ų7628.8 Ų28.853%0.53117%0.167SC..THydrogen-bonded Turntrans-98.312.8175.4-49.90000112.8A260 R303 S304 P305A260-S262 PolarHBondContact O-N 2.57Å; A260-S262 VanDerWaalsContact O-N 3.16Å; S262-R303 CarbonylContact O-C 3.56Å; S262-R303 WeakPolarHBondContact O-CB 3.18Å; S262-S304 CarbonylContact O-C 2.98Å; S262-S304 VanDerWaalsContact O-C 3.28Å; S262-S304 WeakPolarHBondContact O-CA 3.31Å; S262-S304 PolarHBondContact O-N 3.37Å; S262-S304 VanDerWaalsContact O-N 3.08Å; S262-P305 WeakPolarHBondContact O-CD 3.49Å
263G96.8Very high97.6Very high2 Ų228.6 Ų28.62%0.02117%0.166CC..  trans74.2-180-170.300000112.7A260 R303A260-G263 PolarHBondContact O-N 3.21Å; G263-R303 WeakPolarHBondContact O-CD 3.28Å
264K96.2Very high97.6Very high77 Ų7728.6 Ų28.634%0.33517%0.166SC..SBendtrans-102-40.8178.8-169.5-178.2176.2-1770113Y254 R303Y254-K264 HydrophobicContact CD1-CB 4.11Å; Y254-K264 HydrophobicContact CE1-CB 3.4Å; Y254-K264 HydrophobicContact CE1-CD 4.34Å; Y254-K264 HydrophobicContact CE1-CG 4.46Å; Y254-K264 HydrophobicContact CE2-CD 4.49Å; Y254-K264 WeakPolarHBondContact OH-CD 3.43Å; K264-R303 WeakPolarHBondContact O-CD 3.49Å
265L97.9Very high97.6Very high10 Ų1027.4 Ų27.45%0.05216%0.161CC..SBendtrans-72.8147.8-173.4-50.3-177.9000110.9M238 F252 Y254 E270 R303 S304 I306M238-L265 HydrophobicContact CE-CD1 3.89Å; M238-L265 HydrophobicContact CG-CD1 4.36Å; M238-L265 HydrophobicContact SD-CD1 3.91Å; F252-L265 HydrophobicContact CE1-CD1 4Å; F252-L265 HydrophobicContact CZ-CD1 4.27Å; Y254-L265 HydrophobicContact CD2-CD1 3.99Å; Y254-L265 HydrophobicContact CD2-CD2 3.79Å; Y254-L265 HydrophobicContact CD2-CG 3.9Å; Y254-L265 HydrophobicContact CE2-CD2 4.06Å; Y254-L265 HydrophobicContact CG-CD1 4Å; Y254-L265 HydrophobicContact CG-CD2 4.29Å; Y254-L265 HydrophobicContact CG-CG 3.91Å; L265-E270 HydrophobicContact CB-CB 4.37Å; L265-E270 VanDerWaalsContact CD2-OE1 3.32Å; L265-E270 WeakPolarHBondContact CD2-OE1 3.33Å; L265-R303 CarbonylContact O-C 3.36Å; L265-R303 WeakPolarHBondContact O-CA 3.18Å; L265-R303 WeakPolarHBondContact O-CB 3.48Å; L265-S304 PolarHBondContact O-N 2.57Å; L265-I306 HydrophobicContact CD1-CG2 3.65Å
266R98.3Very high97.6Very high5 Ų528 Ų282%0.01916%0.163CC..BIsolated β-bridgetrans-92.2139.3-175.6-68.886.3178.71762.4111Q57 E59 E88 Y269 E270 C271 E302 R303Q57-R266 VanDerWaalsContact CG-NH2 3.34Å; E59-R266 IonicContact OE1-CZ 2.57Å; E59-R266 IonicContact OE1-NH1 3.96Å; E59-R266 IonicContact OE1-NH2 3.21Å; E59-R266 PolarHBondContact OE1-NH2 3.25Å; E88-R266 IonicContact OE1-CZ 3.64Å; E88-R266 IonicContact OE1-NH1 2.83Å; E88-R266 PolarHBondContact OE1-NH1 3.03Å; R266-Y269 HydrophobicContact CB-CD2 3.94Å; R266-Y269 HydrophobicContact CB-CE1 4.15Å; R266-Y269 HydrophobicContact CB-CE2 3.35Å; R266-Y269 VanDerWaalsContact CB-CZ 3.48Å; R266-Y269 HydrophobicContact CG-CE2 3.7Å; R266-Y269 WeakPolarHBondContact CG-OH 3.36Å; R266-E270 WeakPolarHBondContact CB-OE2 3.31Å; R266-E270 WeakPolarHBondContact CD-OE2 3.47Å; R266-E270 PolarHBondContact N-OE2 2.87Å; R266-E270 IonicContact NH1-OE2 3.5Å; R266-E270 WeakPolarHBondContact O-CB 3.19Å; R266-E270 PolarHBondContact O-N 2.86Å; R266-E270 VanDerWaalsContact O-N 3.16Å; R266-C271 PolarHBondContact O-N 3.07Å; R266-E302 CarbonylContact C-O 3.36Å; R266-E302 WeakPolarHBondContact CA-O 3.42Å; R266-R303 HydrophobicContact CG-CG 4.26Å
267L98.7Very high97.7Very high1 Ų126.8 Ų26.81%0.00515%0.153CC..Iπ-helixtrans-64.9-52-169.8-175.362.5000111.5C271 V272 I292 I295 P297 E302L267-C271 HydrophobicContact CD1-CB 4.18Å; L267-V272 HydrophobicContact CD1-CG2 3.81Å; L267-V272 HydrophobicContact CG-CG2 4Å; L267-V272 WeakPolarHBondContact O-CB 3.23Å; L267-V272 WeakPolarHBondContact O-CG2 3.44Å; L267-V272 PolarHBondContact O-N 3.14Å; L267-I292 HydrophobicContact CD1-CG2 4.21Å; L267-I295 HydrophobicContact CD1-CB 4.35Å; L267-I295 HydrophobicContact CD1-CD1 4.03Å; L267-I295 HydrophobicContact CD1-CG2 4.46Å; L267-I295 HydrophobicContact CD2-CB 4.1Å; L267-I295 HydrophobicContact CD2-CG2 3.52Å; L267-P297 HydrophobicContact CD2-CB 4.03Å; L267-P297 HydrophobicContact CD2-CG 3.87Å; L267-E302 WeakPolarHBondContact CB-O 3.38Å; L267-E302 PolarHBondContact N-O 3.1Å
268L98.7Very high97.8Very high1 Ų126.1 Ų26.11%0.00515%0.149CC..Iπ-helixtrans-71.2-36.1-168-75.1-173.8000115.1V86 C107 L144 P297 I300V86-L268 HydrophobicContact CG1-CD1 4.4Å; C107-L268 HydrophobicContact CB-CB 4.2Å; L144-L268 HydrophobicContact CD2-CD1 4.4Å; L268-P297 HydrophobicContact CD2-CB 4.04Å; L268-P297 HydrophobicContact CD2-CG 3.53Å; L268-P297 HydrophobicContact CG-CB 4.43Å; L268-P297 HydrophobicContact CG-CG 4.38Å; L268-I300 HydrophobicContact CD1-CB 4.23Å; L268-I300 HydrophobicContact CD1-CG2 4.3Å
269Y98.6Very high97.9Very high0 Ų022 Ų220%013%0.133CC..Iπ-helixtrans-119.8-7.1-169.942.5-98.7000114.6V86 E88 F108 D109 I126 R266 P273 H301V86-Y269 HydrophobicContact CG1-CD1 4.14Å; V86-Y269 HydrophobicContact CG1-CE1 4.17Å; E88-Y269 HydrophobicContact CB-CD2 4Å; E88-Y269 HydrophobicContact CB-CE2 3.49Å; E88-Y269 VanDerWaalsContact CB-CE2 3.49Å; E88-Y269 HydrophobicContact CG-CE2 3.71Å; F108-Y269 VanDerWaalsContact C-CB 3.47Å; D109-Y269 HydrophobicContact CB-CD2 4.2Å; I126-Y269 WeakPolarHBondContact CB-O 3.42Å; I126-Y269 WeakPolarHBondContact CG2-O 3.24Å; R266-Y269 HydrophobicContact CB-CD2 3.94Å; R266-Y269 HydrophobicContact CB-CE1 4.15Å; R266-Y269 HydrophobicContact CB-CE2 3.35Å; R266-Y269 VanDerWaalsContact CB-CZ 3.48Å; R266-Y269 HydrophobicContact CG-CE2 3.7Å; R266-Y269 WeakPolarHBondContact CG-OH 3.36Å; Y269-P273 WeakPolarHBondContact O-CG 3.21Å; Y269-H301 AromaticContact CE1-ND1 3.76Å; Y269-H301 AromaticContact CZ-ND1 3.79Å; Y269-H301 PolarHBondContact OH-ND1 3.37Å
270E98.8Very high98.1Very high6 Ų620.6 Ų20.63%0.02812%0.117CC..Iπ-helixtrans-117-63172.2-64.6170.984.300110.8I126 M238 L265 R266 M274I126-E270 HydrophobicContact CD1-CB 4.45Å; I126-E270 HydrophobicContact CD1-CG 4.18Å; M238-E270 HydrophobicContact SD-CB 3.75Å; M238-E270 HydrophobicContact SD-CG 4.45Å; L265-E270 HydrophobicContact CB-CB 4.37Å; L265-E270 VanDerWaalsContact CD2-OE1 3.32Å; L265-E270 WeakPolarHBondContact CD2-OE1 3.33Å; R266-E270 WeakPolarHBondContact CB-OE2 3.31Å; R266-E270 WeakPolarHBondContact CD-OE2 3.47Å; R266-E270 PolarHBondContact N-OE2 2.87Å; R266-E270 IonicContact NH1-OE2 3.5Å; R266-E270 WeakPolarHBondContact O-CB 3.19Å; R266-E270 PolarHBondContact O-N 2.86Å; R266-E270 VanDerWaalsContact O-N 3.16Å; E270-M274 WeakPolarHBondContact O-CB 3.46Å; E270-M274 WeakPolarHBondContact O-CG 3.37Å; E270-M274 PolarHBondContact O-N 3.27Å
271C98.9Very high98.2Very high0 Ų019.4 Ų19.40%011%0.108CC..Iπ-helixtrans-66.4-53.8-171.6-650000113.1R266 L267 M274 A275 I292 I306R266-C271 PolarHBondContact O-N 3.07Å; L267-C271 HydrophobicContact CD1-CB 4.18Å; C271-M274 PolarHBondContact O-N 3.39Å; C271-A275 WeakPolarHBondContact O-CB 3.3Å; C271-A275 PolarHBondContact O-N 2.71Å; C271-I292 HydrophobicContact CB-CD1 4.42Å; C271-I292 HydrophobicContact CB-CG2 3.98Å; C271-I306 HydrophobicContact CB-CD1 3.72Å
272V98.9Very high98.3Very high0 Ų016.8 Ų16.80%010%0.098CC..Hα-helixtrans-61.4-51.5-176.3165.30000113.3Y130 L150 L267 M274 A275 Y276 I292 L293Y130-V272 VanDerWaalsContact OH-CG1 3.27Å; Y130-V272 WeakPolarHBondContact OH-CG1 3.28Å; L150-V272 HydrophobicContact CD1-CG1 3.5Å; L150-V272 HydrophobicContact CG-CG1 4.12Å; L267-V272 HydrophobicContact CD1-CG2 3.81Å; L267-V272 HydrophobicContact CG-CG2 4Å; L267-V272 WeakPolarHBondContact O-CB 3.23Å; L267-V272 WeakPolarHBondContact O-CG2 3.44Å; L267-V272 PolarHBondContact O-N 3.14Å; V272-M274 VanDerWaalsContact C-N 3.31Å; V272-M274 PolarHBondContact O-N 3.08Å; V272-A275 PolarHBondContact O-N 2.86Å; V272-Y276 WeakPolarHBondContact O-CB 3.43Å; V272-Y276 PolarHBondContact O-N 3.12Å; V272-I292 HydrophobicContact CG2-CG2 3.99Å; V272-L293 HydrophobicContact CG1-CD2 4.26Å
273P98.9Very high98.4Very high0 Ų013.7 Ų13.70%08%0.078CC..Hα-helixtrans-61.1-38.7178.419.6-30.7000112.6I126 F127 A128 A153 Y269 Y276 L277I126-P273 HydrophobicContact CG2-CB 3.72Å; I126-P273 HydrophobicContact CG2-CG 3.38Å; F127-P273 WeakPolarHBondContact O-CB 3.4Å; A128-P273 HydrophobicContact CB-CB 3.98Å; A128-P273 HydrophobicContact CB-CG 4.18Å; A153-P273 HydrophobicContact CB-CB 3.95Å; Y269-P273 WeakPolarHBondContact O-CG 3.21Å; P273-Y276 PolarHBondContact O-N 3.23Å; P273-L277 WeakPolarHBondContact O-CG 3.35Å; P273-L277 PolarHBondContact O-N 3.04Å
274M98.9Very high98.5Very high0 Ų015.8 Ų15.80%09%0.089CC..Hα-helixtrans-69.7-40.4177.2-67.4-63.4-17500112.5I126 Y155 M238 V239 V242 E270 C271 V272 Y276 L277 M278 L308I126-M274 HydrophobicContact CD1-CE 3.62Å; I126-M274 HydrophobicContact CG1-CE 3.74Å; I126-M274 HydrophobicContact CG2-CE 4.05Å; Y155-M274 HydrophobicContact CD1-CE 3.7Å; Y155-M274 HydrophobicContact CD1-SD 3.54Å; Y155-M274 VanDerWaalsContact CD1-SD 3.54Å; Y155-M274 HydrophobicContact CE1-CE 4.47Å; Y155-M274 HydrophobicContact CE1-SD 3.99Å; Y155-M274 HydrophobicContact CG-CE 3.9Å; Y155-M274 HydrophobicContact CG-SD 4.35Å; M238-M274 HydrophobicContact CE-CB 3.71Å; M238-M274 HydrophobicContact CE-CG 3.58Å; M238-M274 HydrophobicContact SD-CG 3.99Å; V239-M274 HydrophobicContact CB-CE 4.23Å; V239-M274 HydrophobicContact CG2-CE 3.57Å; V242-M274 HydrophobicContact CB-SD 4.03Å; V242-M274 HydrophobicContact CG1-CB 4.49Å; V242-M274 HydrophobicContact CG1-CG 4.49Å; V242-M274 HydrophobicContact CG1-SD 3.63Å; V242-M274 HydrophobicContact CG2-CG 4.31Å; V242-M274 HydrophobicContact CG2-SD 4.17Å; E270-M274 WeakPolarHBondContact O-CB 3.46Å; E270-M274 WeakPolarHBondContact O-CG 3.37Å; E270-M274 PolarHBondContact O-N 3.27Å; C271-M274 PolarHBondContact O-N 3.39Å; V272-M274 VanDerWaalsContact C-N 3.31Å; V272-M274 PolarHBondContact O-N 3.08Å; M274-Y276 VanDerWaalsContact C-N 3.34Å; M274-L277 PolarHBondContact O-N 2.97Å; M274-M278 VanDerWaalsContact O-CB 3.32Å; M274-M278 WeakPolarHBondContact O-CB 3.36Å; M274-M278 PolarHBondContact O-N 3.49Å; M274-L308 HydrophobicContact CB-CD2 4.2Å
275A98.9Very high98.7Very high0 Ų012.2 Ų12.20%07%0.073CC..Hα-helixtrans-62.2-41.3174.300000112C271 V272 L277 M278 I279 A285 I292 L293C271-A275 WeakPolarHBondContact O-CB 3.3Å; C271-A275 PolarHBondContact O-N 2.71Å; V272-A275 PolarHBondContact O-N 2.86Å; A275-L277 PolarHBondContact O-N 3.16Å; A275-M278 PolarHBondContact O-N 2.74Å; A275-I279 WeakPolarHBondContact O-CB 2.97Å; A275-I279 WeakPolarHBondContact O-CG1 3.26Å; A275-I279 PolarHBondContact O-N 3.4Å; A275-A285 HydrophobicContact CB-CB 3.44Å; A275-A285 VanDerWaalsContact CB-CB 3.44Å; A275-I292 HydrophobicContact CB-CB 3.65Å; A275-I292 HydrophobicContact CB-CG1 4.36Å; A275-I292 HydrophobicContact CB-CG2 3.52Å; A275-L293 HydrophobicContact CB-CD2 3.89Å; A275-L293 HydrophobicContact CB-CG 4.29Å
276Y98.9Very high98.7Very high16 Ų1612 Ų126%0.0637%0.073CC..Hα-helixtrans-59.2-49.3177.9-179.3-88.9000111.3L150 A153 G169 V272 P273 M274 Q280L150-Y276 HydrophobicContact CB-CD2 3.72Å; L150-Y276 HydrophobicContact CB-CE2 3.71Å; L150-Y276 HydrophobicContact CB-CG 4.42Å; L150-Y276 HydrophobicContact CD1-CD2 3.74Å; L150-Y276 HydrophobicContact CD1-CG 3.78Å; L150-Y276 HydrophobicContact CG-CD2 4.37Å; A153-Y276 HydrophobicContact CB-CD1 3.75Å; A153-Y276 HydrophobicContact CB-CE1 4.38Å; A153-Y276 HydrophobicContact CB-CG 4.17Å; G169-Y276 WeakPolarHBondContact CA-OH 3.22Å; G169-Y276 PolarHBondContact N-OH 3.35Å; V272-Y276 WeakPolarHBondContact O-CB 3.43Å; V272-Y276 PolarHBondContact O-N 3.12Å; P273-Y276 PolarHBondContact O-N 3.23Å; M274-Y276 VanDerWaalsContact C-N 3.34Å; Y276-Q280 HydrophobicContact CD1-CG 4.23Å; Y276-Q280 HydrophobicContact CE1-CG 4.03Å; Y276-Q280 VanDerWaalsContact O-CB 3.27Å; Y276-Q280 WeakPolarHBondContact O-CB 3.33Å; Y276-Q280 WeakPolarHBondContact O-CG 3.42Å; Y276-Q280 PolarHBondContact O-N 3.27Å
277L98.9Very high98.7Very high0 Ų013.2 Ų13.20%08%0.08CC..Hα-helixtrans-63.6-44176.5-65.3170.3000111.6Y155 V165 V172 P273 M274 A275 I279 Q280 A281Y155-L277 HydrophobicContact CD1-CD1 3.37Å; Y155-L277 HydrophobicContact CE1-CD1 3.6Å; V165-L277 HydrophobicContact CG1-CD1 4.48Å; V165-L277 HydrophobicContact CG1-CD2 4.45Å; V172-L277 HydrophobicContact CG1-CD2 4.18Å; V172-L277 HydrophobicContact CG2-CD2 4.18Å; V172-L277 WeakPolarHBondContact CG2-O 3.49Å; P273-L277 WeakPolarHBondContact O-CG 3.35Å; P273-L277 PolarHBondContact O-N 3.04Å; M274-L277 PolarHBondContact O-N 2.97Å; A275-L277 PolarHBondContact O-N 3.16Å; L277-I279 PolarHBondContact O-N 2.97Å; L277-Q280 PolarHBondContact O-N 2.99Å; L277-A281 VanDerWaalsContact O-CB 3.3Å; L277-A281 WeakPolarHBondContact O-CB 3.17Å; L277-A281 PolarHBondContact O-N 2.73Å
278M98.8Very high98.6Very high0 Ų013.9 Ų13.90%09%0.087CC..Hα-helixtrans-59.7-48.6-179.1-1735769.300111.7V193 V242 T245 I246 M274 A275 A281 G282 G283 L284 L308 G309V193-M278 HydrophobicContact CB-SD 4.21Å; V193-M278 HydrophobicContact CG1-SD 4.01Å; V193-M278 HydrophobicContact CG2-CE 4.39Å; V193-M278 HydrophobicContact CG2-SD 3.31Å; V193-M278 WeakPolarHBondContact CG2-SD 3.44Å; V242-M278 HydrophobicContact CG1-CE 4.39Å; T245-M278 HydrophobicContact CG2-CE 3.92Å; I246-M278 HydrophobicContact CD1-CE 4.45Å; I246-M278 HydrophobicContact CG1-CE 3.6Å; I246-M278 HydrophobicContact CG1-SD 4.3Å; M274-M278 VanDerWaalsContact O-CB 3.32Å; M274-M278 WeakPolarHBondContact O-CB 3.36Å; M274-M278 PolarHBondContact O-N 3.49Å; A275-M278 PolarHBondContact O-N 2.74Å; M278-A281 CarbonylContact O-C 3.6Å; M278-A281 PolarHBondContact O-N 3.41Å; M278-G282 PolarHBondContact O-N 3.09Å; M278-G283 WeakPolarHBondContact O-CA 3.3Å; M278-G283 PolarHBondContact O-N 3.31Å; M278-L284 WeakPolarHBondContact CG-O 3.3Å; M278-L308 HydrophobicContact CE-CD1 3.47Å; M278-L308 VanDerWaalsContact CE-CD1 3.47Å; M278-L308 HydrophobicContact CG-CB 4.3Å; M278-G309 VanDerWaalsContact SD-CA 3.59Å
279I98.6Very high98.5Very high62 Ų6222.8 Ų22.832%0.31813%0.126SC..Hα-helixtrans-67-42.9179.9-69.9164000110.9A275 L277 A281 G282 A285 L293A275-I279 WeakPolarHBondContact O-CB 2.97Å; A275-I279 WeakPolarHBondContact O-CG1 3.26Å; A275-I279 PolarHBondContact O-N 3.4Å; L277-I279 PolarHBondContact O-N 2.97Å; I279-A281 PolarHBondContact O-N 2.75Å; I279-G282 PolarHBondContact O-N 3.36Å; I279-A285 HydrophobicContact CD1-CB 4.37Å; I279-L293 HydrophobicContact CD1-CD1 3.5Å; I279-L293 HydrophobicContact CD1-CG 3.79Å
280Q98.3Very high98.5Very high55 Ų5527.1 Ų27.126%0.25715%0.148SC..Hα-helixtrans-63.1-24.6175.3-74.1-77.9-30.300113.1G169 V172 R192 Y276 L277 G282G169-Q280 VanDerWaalsContact C-OE1 3.26Å; G169-Q280 PolarHBondContact O-OE1 3.16Å; V172-Q280 HydrophobicContact CG2-CB 3.61Å; R192-Q280 PolarHBondContact NH1-O 2.91Å; Y276-Q280 HydrophobicContact CD1-CG 4.23Å; Y276-Q280 HydrophobicContact CE1-CG 4.03Å; Y276-Q280 VanDerWaalsContact O-CB 3.27Å; Y276-Q280 WeakPolarHBondContact O-CB 3.33Å; Y276-Q280 WeakPolarHBondContact O-CG 3.42Å; Y276-Q280 PolarHBondContact O-N 3.27Å; L277-Q280 PolarHBondContact O-N 2.99Å; Q280-G282 VanDerWaalsContact C-N 3.35Å
281A98.5Very high98.5Very high0 Ų028.5 Ų28.50%016%0.158CC..THydrogen-bonded Turntrans-88.73.2173.400000113.5V172 R192 V193 L277 M278 I279V172-A281 HydrophobicContact CB-CB 4.39Å; V172-A281 HydrophobicContact CG2-CB 4.04Å; R192-A281 CarbonylContact C-O 3.58Å; R192-A281 VanDerWaalsContact CA-O 3.29Å; R192-A281 WeakPolarHBondContact CA-O 3.4Å; R192-A281 WeakPolarHBondContact CD-O 3.39Å; V193-A281 HydrophobicContact CG2-CB 3.6Å; V193-A281 PolarHBondContact N-O 3.19Å; L277-A281 VanDerWaalsContact O-CB 3.3Å; L277-A281 WeakPolarHBondContact O-CB 3.17Å; L277-A281 PolarHBondContact O-N 2.73Å; M278-A281 CarbonylContact O-C 3.6Å; M278-A281 PolarHBondContact O-N 3.41Å; I279-A281 PolarHBondContact O-N 2.75Å
282G98.3Very high98.5Very high42 Ų4228.5 Ų28.543%0.43316%0.158SC..THydrogen-bonded Turntrans89.67.2177.600000115.3M278 I279 Q280M278-G282 PolarHBondContact O-N 3.09Å; I279-G282 PolarHBondContact O-N 3.36Å; Q280-G282 VanDerWaalsContact C-N 3.35Å
283G98.7Very high98.5Very high10 Ų1029.3 Ų29.310%0.10316%0.162CC..  trans-85.4-167.3172.700000113.3M278 G309M278-G283 WeakPolarHBondContact O-CA 3.3Å; M278-G283 PolarHBondContact O-N 3.31Å; G283-G309 CarbonylContact C-O 3.56Å; G283-G309 WeakPolarHBondContact CA-O 3.46Å
284L98.8Very high98.5Very high46 Ų4633.6 Ų33.624%0.24119%0.185CC..EExtended strand (participates in β ladder)trans-126152.7174.5-157.3106.7000110.2M278 L308 G309 K311 V314 L318M278-L284 WeakPolarHBondContact CG-O 3.3Å; L284-L308 VanDerWaalsContact O-CA 3.23Å; L284-L308 WeakPolarHBondContact O-CA 3.34Å; L284-G309 PolarHBondContact N-O 3.13Å; L284-G309 PolarHBondContact O-N 3.34Å; L284-K311 HydrophobicContact CD1-CG 4.44Å; L284-V314 HydrophobicContact CB-CB 4.01Å; L284-V314 HydrophobicContact CB-CG1 4.18Å; L284-V314 HydrophobicContact CB-CG2 4.27Å; L284-V314 HydrophobicContact CD2-CB 3.86Å; L284-V314 HydrophobicContact CD2-CG1 3.33Å; L284-V314 HydrophobicContact CG-CG1 4.33Å; L284-L318 HydrophobicContact CD2-CD1 3.9Å
285A98.8Very high98.4Very high2 Ų234.5 Ų34.52%0.01719%0.19CC..EExtended strand (participates in β ladder)trans-146.3122.9172.200000110.9A275 I279 I292 F307 L308A275-A285 HydrophobicContact CB-CB 3.44Å; A275-A285 VanDerWaalsContact CB-CB 3.44Å; I279-A285 HydrophobicContact CD1-CB 4.37Å; A285-I292 HydrophobicContact CB-CG1 4.43Å; A285-I292 PolarHBondContact O-N 2.99Å; A285-F307 CarbonylContact C-O 3.42Å; A285-F307 VanDerWaalsContact CA-O 3.28Å; A285-F307 WeakPolarHBondContact CA-O 3.36Å; A285-L308 HydrophobicContact CB-CB 3.87Å
286S98.8Very high98.4Very high5 Ų538.9 Ų38.94%0.03522%0.216CC..EExtended strand (participates in β ladder)trans-140.4154.1-175.7177.30000111.7G288 I290 I306 F307S286-G288 PolarHBondContact O-N 3.01Å; S286-G288 PolarHBondContact OG-N 2.93Å; S286-I290 WeakPolarHBondContact CA-O 3.4Å; S286-I290 VanDerWaalsContact CB-O 3.32Å; S286-I290 WeakPolarHBondContact CB-O 3.13Å; S286-I290 PolarHBondContact OG-O 3.36Å; S286-I306 CarbonylContact O-C 3.53Å; S286-I306 WeakPolarHBondContact O-CA 3.44Å; S286-F307 PolarHBondContact N-O 3.05Å; S286-F307 PolarHBondContact O-N 3.35Å
287D98.4Very high98.4Very high31 Ų3138.3 Ų38.317%0.16622%0.215CC..SBendtrans-81.96.5169.174.8-18.5000113.2K289 I290 I292 I295 P305D287-K289 WeakPolarHBondContact OD1-CA 3.49Å; D287-K289 PolarHBondContact OD1-N 2.87Å; D287-I290 PolarHBondContact N-O 3.13Å; D287-I290 VanDerWaalsContact N-O 3.1Å; D287-I290 PolarHBondContact OD1-N 3.11Å; D287-I290 VanDerWaalsContact OD1-O 3.12Å; D287-I292 HydrophobicContact CB-CD1 3.86Å; D287-I295 HydrophobicContact CB-CD1 3.97Å; D287-P305 WeakPolarHBondContact CA-O 3.25Å; D287-P305 HydrophobicContact CB-CG 4.08Å; D287-P305 WeakPolarHBondContact O-CG 3.39Å
288G97.6Very high98.3Very high16 Ų1646.4 Ų46.417%0.16525%0.25CS..SBendtrans100.3-17-171.200000113.2S286 L318S286-G288 PolarHBondContact O-N 3.01Å; S286-G288 PolarHBondContact OG-N 2.93Å; G288-L318 VanDerWaalsContact CA-CD2 3.46Å
289K96.6Very high98.3Very high188 Ų18853.7 Ų53.782%0.81728%0.282SS*.SBendtrans-126.5-51-176.1-62.4177.4-177.4174.40112.4D287D287-K289 WeakPolarHBondContact OD1-CA 3.49Å; D287-K289 PolarHBondContact OD1-N 2.87Å
290I97.7Very high98.3Very high90 Ų9051.6 Ų51.646%0.46227%0.271SS..SBendtrans-129.1171.4-179.560.9170.6000110.8S286 D287 I295S286-I290 WeakPolarHBondContact CA-O 3.4Å; S286-I290 VanDerWaalsContact CB-O 3.32Å; S286-I290 WeakPolarHBondContact CB-O 3.13Å; S286-I290 PolarHBondContact OG-O 3.36Å; D287-I290 PolarHBondContact N-O 3.13Å; D287-I290 VanDerWaalsContact N-O 3.1Å; D287-I290 PolarHBondContact OD1-N 3.11Å; D287-I290 VanDerWaalsContact OD1-O 3.12Å; I290-I295 HydrophobicContact CD1-CG1 3.82Å; I290-I295 HydrophobicContact CG1-CG1 4.08Å
291S98.5Very high98.2Very high35 Ų3550.8 Ų50.825%0.24527%0.267CS..BIsolated β-bridgetrans-64.9136.7172.8172.60000110.2L293 D294S291-L293 PolarHBondContact O-N 3.37Å; S291-L293 PolarHBondContact OG-N 3.22Å; S291-D294 VanDerWaalsContact CB-OD2 3.31Å; S291-D294 WeakPolarHBondContact CB-OD2 2.91Å; S291-D294 PolarHBondContact O-N 3.33Å; S291-D294 VanDerWaalsContact O-N 3.08Å
292I98.8Very high98.2Very high0 Ų053.3 Ų53.30%028%0.279CS..G310 helixtrans-56.7-34.4175.5-68.3-70.2000111.5L267 C271 V272 A275 A285 D287 D294 I295 I306L267-I292 HydrophobicContact CD1-CG2 4.21Å; C271-I292 HydrophobicContact CB-CD1 4.42Å; C271-I292 HydrophobicContact CB-CG2 3.98Å; V272-I292 HydrophobicContact CG2-CG2 3.99Å; A275-I292 HydrophobicContact CB-CB 3.65Å; A275-I292 HydrophobicContact CB-CG1 4.36Å; A275-I292 HydrophobicContact CB-CG2 3.52Å; A285-I292 HydrophobicContact CB-CG1 4.43Å; A285-I292 PolarHBondContact O-N 2.99Å; D287-I292 HydrophobicContact CB-CD1 3.86Å; I292-D294 PolarHBondContact O-N 3.12Å; I292-I295 HydrophobicContact CD1-CD1 4.03Å; I292-I295 PolarHBondContact O-N 3.32Å; I292-I306 HydrophobicContact CD1-CB 4.44Å; I292-I306 HydrophobicContact CD1-CD1 4.12Å; I292-I306 HydrophobicContact CD1-CG1 4.05Å; I292-I306 HydrophobicContact CG1-CD1 3.96Å; I292-I306 HydrophobicContact CG1-CG1 4.01Å
293L98.6Very high98.2Very high17 Ų1755.3 Ų55.39%0.08927%0.273CS..G310 helixtrans-73.1-14.9-177.6-61.2-172.4000113.9G147 N148 V272 A275 I279 S291G147-L293 PolarHBondContact N-O 3.37Å; N148-L293 HydrophobicContact CB-CB 4.24Å; N148-L293 PolarHBondContact N-O 2.94Å; V272-L293 HydrophobicContact CG1-CD2 4.26Å; A275-L293 HydrophobicContact CB-CD2 3.89Å; A275-L293 HydrophobicContact CB-CG 4.29Å; I279-L293 HydrophobicContact CD1-CD1 3.5Å; I279-L293 HydrophobicContact CD1-CG 3.79Å; S291-L293 PolarHBondContact O-N 3.37Å; S291-L293 PolarHBondContact OG-N 3.22Å
294D98.6Very high98.2Very high90 Ų9055 Ų5548%0.48127%0.27SS..G310 helixtrans-99-5.8-178.6-62.5-34.9000112.8N148 S291 I292 V296N148-D294 PolarHBondContact ND2-OD1 3.48Å; S291-D294 VanDerWaalsContact CB-OD2 3.31Å; S291-D294 WeakPolarHBondContact CB-OD2 2.91Å; S291-D294 PolarHBondContact O-N 3.33Å; S291-D294 VanDerWaalsContact O-N 3.08Å; I292-D294 PolarHBondContact O-N 3.12Å; D294-V296 PolarHBondContact O-N 3Å
295I98.6Very high98.2Very high19 Ų1953.9 Ų53.910%0.09727%0.265CS..  trans-69.8123.8174.4-55.3174.4000108.7P146 L267 D287 I290 I292 P297P146-I295 WeakPolarHBondContact CA-O 3.5Å; P146-I295 WeakPolarHBondContact CB-O 3.4Å; L267-I295 HydrophobicContact CD1-CB 4.35Å; L267-I295 HydrophobicContact CD1-CD1 4.03Å; L267-I295 HydrophobicContact CD1-CG2 4.46Å; L267-I295 HydrophobicContact CD2-CB 4.1Å; L267-I295 HydrophobicContact CD2-CG2 3.52Å; D287-I295 HydrophobicContact CB-CD1 3.97Å; I290-I295 HydrophobicContact CD1-CG1 3.82Å; I290-I295 HydrophobicContact CG1-CG1 4.08Å; I292-I295 HydrophobicContact CD1-CD1 4.03Å; I292-I295 PolarHBondContact O-N 3.32Å; I295-P297 WeakPolarHBondContact O-CD 3.35Å
296V98.2Very high98.2Very high92 Ų9253.8 Ų53.856%0.55826%0.264SS*.  trans-87.5112.8170.6-178.40000108.4P146 D294P146-V296 HydrophobicContact CB-CG2 4.21Å; P146-V296 HydrophobicContact CG-CG2 4.24Å; D294-V296 PolarHBondContact O-N 3Å
297P98.1Very high98.2Very high5 Ų553.8 Ų53.83%0.03226%0.264CS..  trans-64.2138.6-178.4-18.231.4000111.5L144 Q145 L267 L268 I295 E302L144-P297 HydrophobicContact CD2-CB 4.02Å; Q145-P297 WeakPolarHBondContact O-CD 3.4Å; Q145-P297 WeakPolarHBondContact O-CG 3.28Å; L267-P297 HydrophobicContact CD2-CB 4.03Å; L267-P297 HydrophobicContact CD2-CG 3.87Å; L268-P297 HydrophobicContact CD2-CB 4.04Å; L268-P297 HydrophobicContact CD2-CG 3.53Å; L268-P297 HydrophobicContact CG-CB 4.43Å; L268-P297 HydrophobicContact CG-CG 4.38Å; I295-P297 WeakPolarHBondContact O-CD 3.35Å; P297-E302 WeakPolarHBondContact CA-OE2 3.48Å
298K97.9Very high98.2Very high170 Ų17052.3 Ų52.374%0.73926%0.256SS*.SBendtrans-98-22.8174.8-63177.9-176.51730112.5E302K298-E302 PolarHBondContact N-OE2 3.06Å
299K97.9Very high98.3Very high152 Ų15251.5 Ų51.566%0.66125%0.248SC*.SBendtrans-144.9151.6-179.6-58.5-175.7-176.6-178.20110H301 E302K299-H301 PolarHBondContact O-N 3.19Å; K299-E302 HydrophobicContact CB-CB 4.44Å; K299-E302 WeakPolarHBondContact O-CB 3.31Å; K299-E302 PolarHBondContact O-N 3.44Å
300I97.9Very high98.4Very high18 Ų1842.6 Ų42.69%0.09221%0.209CC..THydrogen-bonded Turntrans-65.7-24-178.856.6165.2000113.7V86 E91 V93 V140 L144 L268V86-I300 HydrophobicContact CG1-CB 3.91Å; V86-I300 HydrophobicContact CG1-CG2 4.49Å; V86-I300 HydrophobicContact CG2-CG2 4.3Å; E91-I300 WeakPolarHBondContact O-CD1 3.28Å; V93-I300 HydrophobicContact CG1-CD1 4.11Å; V93-I300 HydrophobicContact CG1-CG2 3.99Å; V140-I300 HydrophobicContact CG1-CG2 3.88Å; L144-I300 HydrophobicContact CD2-CG2 3.87Å; L268-I300 HydrophobicContact CD1-CB 4.23Å; L268-I300 HydrophobicContact CD1-CG2 4.3Å
301H97.9Very high98.5Very high39 Ų3942.1 Ų42.118%0.18120%0.204CC..THydrogen-bonded Turntrans-112.426.6176.9-57.5-51.9000112.8N90 E91 Y269 K299 R303N90-H301 PolarHBondContact O-CE1 2.82Å; N90-H301 PolarHBondContact O-NE2 3.04Å; E91-H301 PolarHBondContact O-NE2 2.71Å; Y269-H301 AromaticContact CE1-ND1 3.76Å; Y269-H301 AromaticContact CZ-ND1 3.79Å; Y269-H301 PolarHBondContact OH-ND1 3.37Å; K299-H301 PolarHBondContact O-N 3.19Å; H301-R303 PolarHBondContact O-N 2.77Å
302E97.9Very high98.5Very high53 Ų5342.2 Ų42.225%0.24821%0.205CC..  trans-60.9136.4175-178.6165.9-164.500110.7R266 L267 P297 K298 K299R266-E302 CarbonylContact C-O 3.36Å; R266-E302 WeakPolarHBondContact CA-O 3.42Å; L267-E302 WeakPolarHBondContact CB-O 3.38Å; L267-E302 PolarHBondContact N-O 3.1Å; P297-E302 WeakPolarHBondContact CA-OE2 3.48Å; K298-E302 PolarHBondContact N-OE2 3.06Å; K299-E302 HydrophobicContact CB-CB 4.44Å; K299-E302 WeakPolarHBondContact O-CB 3.31Å; K299-E302 PolarHBondContact O-N 3.44Å
303R98.3Very high98.5Very high83 Ų8342.2 Ų42.231%0.31321%0.205SC..BIsolated β-bridgetrans-96.7153.7176.6-65.5179.5-175.1-175.40.6110.7S262 G263 K264 L265 R266 H301S262-R303 CarbonylContact O-C 3.56Å; S262-R303 WeakPolarHBondContact O-CB 3.18Å; G263-R303 WeakPolarHBondContact O-CD 3.28Å; K264-R303 WeakPolarHBondContact O-CD 3.49Å; L265-R303 CarbonylContact O-C 3.36Å; L265-R303 WeakPolarHBondContact O-CA 3.18Å; L265-R303 WeakPolarHBondContact O-CB 3.48Å; R266-R303 HydrophobicContact CG-CG 4.26Å; H301-R303 PolarHBondContact O-N 2.77Å
304S98.5Very high98.5Very high5 Ų541.4 Ų41.44%0.03520%0.2CC..  trans-144.2139.8175.4-170.80000110.6S262 L265S262-S304 CarbonylContact O-C 2.98Å; S262-S304 VanDerWaalsContact O-C 3.28Å; S262-S304 WeakPolarHBondContact O-CA 3.31Å; S262-S304 PolarHBondContact O-N 3.37Å; S262-S304 VanDerWaalsContact O-N 3.08Å; L265-S304 PolarHBondContact O-N 2.57Å
305P98.5Very high98.5Very high21 Ų2141.5 Ų41.514%0.13620%0.198CC..  trans-62.4156.1160.830.8-35.7000109.9Y254 A256 S262 D287Y254-P305 CarbonylContact O-C 3.15Å; Y254-P305 WeakPolarHBondContact O-CA 3.18Å; A256-P305 HydrophobicContact CB-CB 4.34Å; S262-P305 WeakPolarHBondContact O-CD 3.49Å; D287-P305 WeakPolarHBondContact CA-O 3.25Å; D287-P305 HydrophobicContact CB-CG 4.08Å; D287-P305 WeakPolarHBondContact O-CG 3.39Å
306I98.8Very high98.5Very high0 Ų043.2 Ų43.20%021%0.205CC..EExtended strand (participates in β ladder)trans-145.9138177.8-162.7160000113M238 F252 I253 Y254 L265 C271 S286 I292 L308M238-I306 HydrophobicContact CE-CD1 4.3Å; F252-I306 HydrophobicContact CD1-CG2 4.31Å; F252-I306 HydrophobicContact CE1-CG2 3.93Å; I253-I306 WeakPolarHBondContact CA-O 3.47Å; Y254-I306 PolarHBondContact N-O 3.33Å; Y254-I306 PolarHBondContact O-N 2.88Å; L265-I306 HydrophobicContact CD1-CG2 3.65Å; C271-I306 HydrophobicContact CB-CD1 3.72Å; S286-I306 CarbonylContact O-C 3.53Å; S286-I306 WeakPolarHBondContact O-CA 3.44Å; I292-I306 HydrophobicContact CD1-CB 4.44Å; I292-I306 HydrophobicContact CD1-CD1 4.12Å; I292-I306 HydrophobicContact CD1-CG1 4.05Å; I292-I306 HydrophobicContact CG1-CD1 3.96Å; I292-I306 HydrophobicContact CG1-CG1 4.01Å; I306-L308 HydrophobicContact CD1-CD2 3.59Å; I306-L308 HydrophobicContact CG1-CB 4.43Å; I306-L308 HydrophobicContact CG1-CD2 3.91Å; I306-L308 HydrophobicContact CG1-CG 4.44Å
307F98.9Very high98.5Very high5 Ų539 Ų392%0.02218%0.18CC..EExtended strand (participates in β ladder)trans-127.4112.5171.4-59.6-104.1000106.7V214 I253 P255 A285 S286 V314 A317 L321V214-F307 HydrophobicContact CG2-CE1 4.12Å; V214-F307 HydrophobicContact CG2-CZ 3.95Å; I253-F307 HydrophobicContact CB-CD1 4.32Å; I253-F307 HydrophobicContact CD1-CD1 4.37Å; I253-F307 HydrophobicContact CG1-CD1 3.96Å; I253-F307 HydrophobicContact CG1-CE1 4.46Å; I253-F307 HydrophobicContact CG2-CD1 3.5Å; I253-F307 HydrophobicContact CG2-CE1 3.36Å; I253-F307 HydrophobicContact CG2-CG 4.24Å; I253-F307 HydrophobicContact CG2-CZ 3.99Å; P255-F307 HydrophobicContact CB-CZ 3.96Å; A285-F307 CarbonylContact C-O 3.42Å; A285-F307 VanDerWaalsContact CA-O 3.28Å; A285-F307 WeakPolarHBondContact CA-O 3.36Å; S286-F307 PolarHBondContact N-O 3.05Å; S286-F307 PolarHBondContact O-N 3.35Å; F307-V314 HydrophobicContact CB-CG1 4.06Å; F307-A317 HydrophobicContact CD1-CB 4.28Å; F307-L321 HydrophobicContact CE1-CD1 4.05Å; F307-L321 HydrophobicContact CE2-CD1 3.89Å; F307-L321 HydrophobicContact CZ-CD1 3.58Å
308L98.9Very high98.5Very high0 Ų040.2 Ų40.20%019%0.186CC..EExtended strand (participates in β ladder)trans-139.4150.7-17865.283.3000112.5M238 V242 T245 F252 M274 M278 L284 A285 I306M238-L308 HydrophobicContact CE-CD2 4.19Å; V242-L308 HydrophobicContact CG1-CD1 4.22Å; V242-L308 HydrophobicContact CG2-CD1 3.93Å; V242-L308 HydrophobicContact CG2-CD2 4.17Å; T245-L308 HydrophobicContact CG2-CD1 4.49Å; F252-L308 HydrophobicContact CB-CD1 3.8Å; F252-L308 HydrophobicContact CB-CG 4.21Å; F252-L308 HydrophobicContact CD1-CD1 4.23Å; F252-L308 HydrophobicContact CD1-CD2 4.15Å; F252-L308 HydrophobicContact CD1-CG 3.99Å; F252-L308 HydrophobicContact CG-CD1 4.42Å; F252-L308 PolarHBondContact N-O 2.8Å; F252-L308 PolarHBondContact O-N 3.5Å; M274-L308 HydrophobicContact CB-CD2 4.2Å; M278-L308 HydrophobicContact CE-CD1 3.47Å; M278-L308 VanDerWaalsContact CE-CD1 3.47Å; M278-L308 HydrophobicContact CG-CB 4.3Å; L284-L308 VanDerWaalsContact O-CA 3.23Å; L284-L308 WeakPolarHBondContact O-CA 3.34Å; A285-L308 HydrophobicContact CB-CB 3.87Å; I306-L308 HydrophobicContact CD1-CD2 3.59Å; I306-L308 HydrophobicContact CG1-CB 4.43Å; I306-L308 HydrophobicContact CG1-CD2 3.91Å; I306-L308 HydrophobicContact CG1-CG 4.44Å
309G98.9Very high98.5Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans146.3-148.9176.600000114.1G250 M278 G283 L284 K311G250-G309 CarbonylContact O-C 3.43Å; G250-G309 WeakPolarHBondContact O-CA 3.37Å; M278-G309 VanDerWaalsContact SD-CA 3.59Å; G283-G309 CarbonylContact C-O 3.56Å; G283-G309 WeakPolarHBondContact CA-O 3.46Å; L284-G309 PolarHBondContact N-O 3.13Å; L284-G309 PolarHBondContact O-N 3.34Å; G309-K311 PolarHBondContact O-N 2.88Å
310S98.9Very high98.5Very high0 Ų031.3 Ų31.30%015%0.154CC..SBendtrans-52126.9172.6-74.80000110.8P194 E195 G197 G249 G250 S312 D313 V314P194-S310 WeakPolarHBondContact O-CA 3.47Å; P194-S310 WeakPolarHBondContact O-CB 3.32Å; P194-S310 PolarHBondContact O-OG 2.82Å; E195-S310 CarbonylContact O-C 3.48Å; E195-S310 WeakPolarHBondContact O-CB 3.4Å; G197-S310 PolarHBondContact N-OG 2.73Å; G249-S310 VanDerWaalsContact CA-OG 3.25Å; G249-S310 WeakPolarHBondContact CA-OG 3.2Å; G250-S310 PolarHBondContact N-OG 3.42Å; G250-S310 WeakPolarHBondContact O-CB 3.38Å; G250-S310 PolarHBondContact O-N 3.46Å; S310-S312 VanDerWaalsContact C-N 3.34Å; S310-S312 PolarHBondContact O-N 2.97Å; S310-D313 WeakPolarHBondContact CB-OD2 3.42Å; S310-D313 PolarHBondContact O-N 3.33Å; S310-V314 WeakPolarHBondContact O-CG2 3.4Å; S310-V314 PolarHBondContact O-N 3.42Å
311K98.8Very high98.4Very high81 Ų8132.5 Ų32.535%0.35216%0.16SC..Hα-helixtrans-52.9-49.6-172.3179.7179.2174.2-174.20112.6E195 L284 G309 D313 V314 E315E195-K311 PolarHBondContact O-N 2.7Å; L284-K311 HydrophobicContact CD1-CG 4.44Å; G309-K311 PolarHBondContact O-N 2.88Å; K311-D313 VanDerWaalsContact C-N 3.3Å; K311-D313 PolarHBondContact O-N 3.25Å; K311-V314 PolarHBondContact O-N 3.31Å; K311-E315 WeakPolarHBondContact CE-OE1 3.36Å; K311-E315 HydrophobicContact CG-CG 4.4Å; K311-E315 IonicContact NZ-OE1 2.73Å; K311-E315 WeakPolarHBondContact O-CB 3.25Å; K311-E315 WeakPolarHBondContact O-CG 3.41Å; K311-E315 PolarHBondContact O-N 3.48Å
312S98.7Very high97.5Very high37 Ų3742 Ų4226%0.25920%0.201SC..Hα-helixtrans-61.8-36.5179.7-670000112.9E195 S310 E316E195-S312 WeakPolarHBondContact O-CB 3.12Å; E195-S312 PolarHBondContact O-N 2.7Å; E195-S312 PolarHBondContact O-OG 2.82Å; E195-S312 PolarHBondContact OE1-OG 3.43Å; S310-S312 VanDerWaalsContact C-N 3.34Å; S310-S312 PolarHBondContact O-N 2.97Å; S312-E316 VanDerWaalsContact O-CB 3.31Å; S312-E316 WeakPolarHBondContact O-CB 3.33Å; S312-E316 PolarHBondContact O-N 3.41Å; S312-E316 VanDerWaalsContact O-N 3.09Å
313D98.8Very high97.5Very high0 Ų041.5 Ų41.50%020%0.198CC..Hα-helixtrans-73-37.5-179.2-66.9-53.3000111.7G197 Y217 Y230 G250 I251 S310 K311 A317G197-D313 PolarHBondContact N-OD2 3.05Å; Y217-D313 PolarHBondContact OH-O 3.1Å; Y230-D313 VanDerWaalsContact CE2-OD1 3.31Å; Y230-D313 WeakPolarHBondContact CE2-OD1 3.19Å; Y230-D313 PolarHBondContact OH-OD1 2.86Å; G250-D313 WeakPolarHBondContact CA-OD2 3.47Å; I251-D313 HydrophobicContact CB-CB 4.11Å; S310-D313 WeakPolarHBondContact CB-OD2 3.42Å; S310-D313 PolarHBondContact O-N 3.33Å; K311-D313 VanDerWaalsContact C-N 3.3Å; K311-D313 PolarHBondContact O-N 3.25Å; D313-A317 PolarHBondContact O-N 3.45Å
314V98.9Very high97.5Very high0 Ų039.3 Ų39.30%019%0.192CC..Hα-helixtrans-71.9-45.1177.3-174.10000110.8I251 L284 F307 S310 K311 E316 A317 L318I251-V314 HydrophobicContact CD1-CB 4.32Å; I251-V314 HydrophobicContact CD1-CG2 3.91Å; I251-V314 HydrophobicContact CG1-CG2 4.01Å; L284-V314 HydrophobicContact CB-CB 4.01Å; L284-V314 HydrophobicContact CB-CG1 4.18Å; L284-V314 HydrophobicContact CB-CG2 4.27Å; L284-V314 HydrophobicContact CD2-CB 3.86Å; L284-V314 HydrophobicContact CD2-CG1 3.33Å; L284-V314 HydrophobicContact CG-CG1 4.33Å; F307-V314 HydrophobicContact CB-CG1 4.06Å; S310-V314 WeakPolarHBondContact O-CG2 3.4Å; S310-V314 PolarHBondContact O-N 3.42Å; K311-V314 PolarHBondContact O-N 3.31Å; V314-E316 VanDerWaalsContact C-N 3.27Å; V314-E316 PolarHBondContact O-N 3.27Å; V314-A317 WeakPolarHBondContact O-CB 3.38Å; V314-A317 PolarHBondContact O-N 2.63Å; V314-A317 VanDerWaalsContact O-N 3.11Å; V314-L318 HydrophobicContact CG1-CD1 4.2Å; V314-L318 HydrophobicContact CG1-CG 4.24Å; V314-L318 VanDerWaalsContact O-CG 3.28Å; V314-L318 WeakPolarHBondContact O-CG 3.42Å; V314-L318 PolarHBondContact O-N 3.11Å
315E98.7Very high97.4Very high92 Ų9241.2 Ų41.243%0.4320%0.201SC..Hα-helixtrans-58.4-41175.1-73.7175.8167.600111.8K311 L318 S319K311-E315 WeakPolarHBondContact CE-OE1 3.36Å; K311-E315 HydrophobicContact CG-CG 4.4Å; K311-E315 IonicContact NZ-OE1 2.73Å; K311-E315 WeakPolarHBondContact O-CB 3.25Å; K311-E315 WeakPolarHBondContact O-CG 3.41Å; K311-E315 PolarHBondContact O-N 3.48Å; E315-L318 PolarHBondContact O-N 2.94Å; E315-S319 PolarHBondContact O-N 3.1Å; E315-S319 VanDerWaalsContact O-N 3.11Å
316E98.6Very high97.4Very high55 Ų5542.4 Ų42.426%0.25721%0.205SC..Hα-helixtrans-61.4-49.3172.8-170.5-176.2156.300110.8Y217 K221 S312 V314 L318 S319 Y320Y217-E316 HydrophobicContact CD2-CG 4.47Å; Y217-E316 HydrophobicContact CE2-CB 4.18Å; Y217-E316 HydrophobicContact CE2-CG 4.01Å; K221-E316 VanDerWaalsContact CE-OE1 3.28Å; K221-E316 WeakPolarHBondContact CE-OE1 3.4Å; K221-E316 IonicContact NZ-OE1 3.22Å; K221-E316 PolarHBondContact NZ-OE1 2.95Å; K221-E316 IonicContact NZ-OE2 2.75Å; K221-E316 PolarHBondContact NZ-OE2 3.25Å; S312-E316 VanDerWaalsContact O-CB 3.31Å; S312-E316 WeakPolarHBondContact O-CB 3.33Å; S312-E316 PolarHBondContact O-N 3.41Å; S312-E316 VanDerWaalsContact O-N 3.09Å; V314-E316 VanDerWaalsContact C-N 3.27Å; V314-E316 PolarHBondContact O-N 3.27Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 2.81Å; E316-S319 WeakPolarHBondContact O-CB 3.32Å; E316-S319 PolarHBondContact O-N 3.06Å; E316-S319 PolarHBondContact O-OG 3.02Å; E316-Y320 HydrophobicContact CG-CE2 4.26Å; E316-Y320 WeakPolarHBondContact O-CD2 3.27Å
317A98.6Very high97.3Very high2 Ų245 Ų452%0.01722%0.218CC..Hα-helixtrans-57-45.6177.900000112.3Y217 I251 F307 D313 V314 S319 Y320Y217-A317 HydrophobicContact CD1-CB 4.14Å; Y217-A317 HydrophobicContact CD2-CB 3.96Å; Y217-A317 HydrophobicContact CE1-CB 3.96Å; Y217-A317 HydrophobicContact CE2-CB 3.71Å; Y217-A317 HydrophobicContact CG-CB 4.14Å; I251-A317 HydrophobicContact CD1-CB 3.67Å; F307-A317 HydrophobicContact CD1-CB 4.28Å; D313-A317 PolarHBondContact O-N 3.45Å; V314-A317 WeakPolarHBondContact O-CB 3.38Å; V314-A317 PolarHBondContact O-N 2.63Å; V314-A317 VanDerWaalsContact O-N 3.11Å; A317-S319 PolarHBondContact O-N 2.96Å; A317-Y320 WeakPolarHBondContact O-CB 3.38Å; A317-Y320 PolarHBondContact O-N 3.19Å; A317-Y320 VanDerWaalsContact O-N 3.1Å
318L98.5Very high97.2Very high31 Ų3147.7 Ų47.716%0.16223%0.231CC..Hα-helixtrans-62.9-27.7177.9-65.3179.3000112.8L284 G288 V314 E315 E316 Y320 L321L284-L318 HydrophobicContact CD2-CD1 3.9Å; G288-L318 VanDerWaalsContact CA-CD2 3.46Å; V314-L318 HydrophobicContact CG1-CD1 4.2Å; V314-L318 HydrophobicContact CG1-CG 4.24Å; V314-L318 VanDerWaalsContact O-CG 3.28Å; V314-L318 WeakPolarHBondContact O-CG 3.42Å; V314-L318 PolarHBondContact O-N 3.11Å; E315-L318 PolarHBondContact O-N 2.94Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 2.81Å; L318-Y320 VanDerWaalsContact C-N 3.25Å; L318-Y320 PolarHBondContact O-N 3.17Å; L318-L321 HydrophobicContact CD2-CD1 4.13Å; L318-L321 PolarHBondContact O-N 3.42Å
319S98.2Very high97Very high62 Ų6251.1 Ų51.143%0.43425%0.247SC..Hα-helixtrans-69.1-23176.377.30000113.6E315 E316 A317 L321E315-S319 PolarHBondContact O-N 3.1Å; E315-S319 VanDerWaalsContact O-N 3.11Å; E316-S319 WeakPolarHBondContact O-CB 3.32Å; E316-S319 PolarHBondContact O-N 3.06Å; E316-S319 PolarHBondContact O-OG 3.02Å; A317-S319 PolarHBondContact O-N 2.96Å; S319-L321 VanDerWaalsContact C-N 3.34Å
320Y98Very high96.9Very high73 Ų7355 Ų5529%0.28627%0.266SS..THydrogen-bonded Turntrans-81.3-14.8175.1-78.5-109.1000112.9G213 N216 Y217 A220 E316 A317 L318G213-Y320 WeakPolarHBondContact CA-O 3.19Å; G213-Y320 WeakPolarHBondContact O-CB 3.48Å; N216-Y320 HydrophobicContact CB-CD1 3.67Å; N216-Y320 HydrophobicContact CB-CE1 3.97Å; Y217-Y320 AromaticContact CD2-CD2 3.97Å; Y217-Y320 HydrophobicContact CD2-CD2 3.97Å; Y217-Y320 HydrophobicContact CD2-CE2 4.09Å; Y217-Y320 HydrophobicContact CD2-CG 4.5Å; A220-Y320 HydrophobicContact CB-CE1 4.37Å; A220-Y320 WeakPolarHBondContact CB-OH 3.44Å; E316-Y320 HydrophobicContact CG-CE2 4.26Å; E316-Y320 WeakPolarHBondContact O-CD2 3.27Å; A317-Y320 WeakPolarHBondContact O-CB 3.38Å; A317-Y320 PolarHBondContact O-N 3.19Å; A317-Y320 VanDerWaalsContact O-N 3.1Å; L318-Y320 VanDerWaalsContact C-N 3.25Å; L318-Y320 PolarHBondContact O-N 3.17Å
321L95.1Very high96.7Very high43 Ų4359.6 Ų59.623%0.22529%0.288CS..THydrogen-bonded Turntrans-91-2.1-179.9-49.6-172.8000113E211 V214 F307 L318 S319E211-L321 HydrophobicContact CG-CD2 4.48Å; E211-L321 VanDerWaalsContact OE1-CD2 3.27Å; E211-L321 WeakPolarHBondContact OE1-CD2 3.03Å; V214-L321 HydrophobicContact CG2-CD2 3.88Å; F307-L321 HydrophobicContact CE1-CD1 4.05Å; F307-L321 HydrophobicContact CE2-CD1 3.89Å; F307-L321 HydrophobicContact CZ-CD1 3.58Å; L318-L321 HydrophobicContact CD2-CD1 4.13Å; L318-L321 PolarHBondContact O-N 3.42Å; S319-L321 VanDerWaalsContact C-N 3.34Å
322K79.8Confident96.5Very high239 Ų23957.6 Ų57.6100%1.03928%0.283SS*.  trans-890-177.6-71-179.4-178.51780112.7

Retrieved 322 of 322 residues in 235.7 ms (Link to these results)

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