G4VQL7_SCHMA Loading...

Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN

AlphaFold DB , UniProt , Accession G4VQL7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 597 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
1M38.7Very low69.2Low227 Ų22790.7 Ų90.7100%1.11847%0.471SS*.  0129.20-70.5-62.9-146.900108.6K3M1-K3 PolarHBondContact O-N 3.42Å
2P46.8Very low70.6Confident120 Ų12088.4 Ų88.478%0.77946%0.456SS*.PPolyproline II helixtrans-60.5133.2167.726.6-32.7000109.4T4P2-T4 PolarHBondContact O-N 3.41Å
3K60.6Low72.1Confident170 Ų17082.9 Ų82.974%0.73943%0.427SS*.PPolyproline II helixtrans-67.3120.6177.9-67.5-177.2179.7178.20108.5M1 L8M1-K3 PolarHBondContact O-N 3.42Å; K3-L8 HydrophobicContact CB-CD2 3.86Å; K3-L8 HydrophobicContact CB-CG 3.98Å; K3-L8 HydrophobicContact CD-CD2 3.73Å; K3-L8 HydrophobicContact CG-CD2 4.43Å
4T78.7Confident73.4Confident74 Ų7482.4 Ų82.445%0.45442%0.42SS..PPolyproline II helixtrans-64.2155.4173.562.10000109.9P2 K6 G7 L8P2-T4 PolarHBondContact O-N 3.41Å; T4-K6 PolarHBondContact O-N 3.39Å; T4-G7 CarbonylContact O-C 3.6Å; T4-G7 WeakPolarHBondContact O-CA 3.48Å; T4-G7 PolarHBondContact O-N 3.44Å; T4-G7 PolarHBondContact OG1-N 2.98Å; T4-G7 VanDerWaalsContact OG1-N 3.1Å; T4-L8 PolarHBondContact O-N 3.13Å
5L79Confident74.8Confident92 Ų9279.8 Ų79.848%0.48240%0.403SS..Hα-helixtrans-58.6-38.7177.5-170.264.7000111.5G7 L8 V9 V45L5-G7 VanDerWaalsContact C-N 3.33Å; L5-G7 PolarHBondContact O-N 3.19Å; L5-L8 PolarHBondContact O-N 2.99Å; L5-V9 PolarHBondContact O-N 3.29Å; L5-V9 VanDerWaalsContact O-N 3.17Å; L5-V45 HydrophobicContact CD2-CG1 4.13Å
6K80.6Confident76Confident34 Ų3475.8 Ų75.815%0.14838%0.382CS..Hα-helixtrans-58-41.4170.1-65.3-172.6175.9-1790112.4T4 V9 S10 R15 G44 V45 R47 D52T4-K6 PolarHBondContact O-N 3.39Å; K6-V9 PolarHBondContact O-N 2.83Å; K6-S10 PolarHBondContact O-N 2.94Å; K6-S10 PolarHBondContact O-OG 2.9Å; K6-S10 VanDerWaalsContact O-OG 3.06Å; K6-R15 PolarHBondContact O-NH1 3.45Å; K6-G44 WeakPolarHBondContact CE-O 3.47Å; K6-V45 WeakPolarHBondContact CG-O 3.39Å; K6-R47 VanDerWaalsContact CE-O 3.24Å; K6-R47 WeakPolarHBondContact CE-O 3.4Å; K6-D52 IonicContact NZ-OD2 3.41Å; K6-D52 PolarHBondContact NZ-OD2 3.42Å
7G72.5Confident77Confident21 Ų2178.6 Ų78.622%0.21639%0.393CS..Hα-helixtrans-64.9-41.3176.300000113.5T4 L5 V9 S10 R11T4-G7 CarbonylContact O-C 3.6Å; T4-G7 WeakPolarHBondContact O-CA 3.48Å; T4-G7 PolarHBondContact O-N 3.44Å; T4-G7 PolarHBondContact OG1-N 2.98Å; T4-G7 VanDerWaalsContact OG1-N 3.1Å; L5-G7 VanDerWaalsContact C-N 3.33Å; L5-G7 PolarHBondContact O-N 3.19Å; G7-V9 VanDerWaalsContact C-N 3.32Å; G7-V9 PolarHBondContact O-N 3.28Å; G7-S10 WeakPolarHBondContact CA-OG 3.42Å; G7-S10 PolarHBondContact O-N 3.24Å; G7-S10 PolarHBondContact O-OG 3.01Å; G7-S10 VanDerWaalsContact O-OG 3.09Å; G7-R11 PolarHBondContact O-N 3.38Å
8L72Confident77.8Confident90 Ų9080.2 Ų80.247%0.47140%0.399SS..Hα-helixtrans-63.1-36.2176-69.7171000112.4K3 T4 L5 R11K3-L8 HydrophobicContact CB-CD2 3.86Å; K3-L8 HydrophobicContact CB-CG 3.98Å; K3-L8 HydrophobicContact CD-CD2 3.73Å; K3-L8 HydrophobicContact CG-CD2 4.43Å; T4-L8 PolarHBondContact O-N 3.13Å; L5-L8 PolarHBondContact O-N 2.99Å; L8-R11 VanDerWaalsContact O-CG 3.23Å; L8-R11 WeakPolarHBondContact O-CG 3.45Å
9V75.4Confident78.6Confident52 Ų5282.1 Ų82.132%0.31541%0.411SS..Hα-helixtrans-80.6-27.1176.9173.20000112.9L5 K6 G7 Y46L5-V9 PolarHBondContact O-N 3.29Å; L5-V9 VanDerWaalsContact O-N 3.17Å; K6-V9 PolarHBondContact O-N 2.83Å; G7-V9 VanDerWaalsContact C-N 3.32Å; G7-V9 PolarHBondContact O-N 3.28Å; V9-Y46 WeakPolarHBondContact CB-O 3.39Å; V9-Y46 HydrophobicContact CG1-CD2 4.18Å; V9-Y46 HydrophobicContact CG2-CD2 3.92Å; V9-Y46 HydrophobicContact CG2-CG 4.36Å
10S73.3Confident79.2Confident4 Ų481.4 Ų81.43%0.02843%0.426CS..Hα-helixtrans-77.8-27173.2510000113.8K6 G7 H12 K13 R15K6-S10 PolarHBondContact O-N 2.94Å; K6-S10 PolarHBondContact O-OG 2.9Å; K6-S10 VanDerWaalsContact O-OG 3.06Å; G7-S10 WeakPolarHBondContact CA-OG 3.42Å; G7-S10 PolarHBondContact O-N 3.24Å; G7-S10 PolarHBondContact O-OG 3.01Å; G7-S10 VanDerWaalsContact O-OG 3.09Å; S10-H12 PolarHBondContact O-N 3.48Å; S10-K13 VanDerWaalsContact O-CB 3.3Å; S10-K13 WeakPolarHBondContact O-CB 3.34Å; S10-K13 WeakPolarHBondContact O-CE 3.44Å; S10-K13 WeakPolarHBondContact O-CG 3.39Å; S10-K13 PolarHBondContact O-N 2.82Å; S10-R15 VanDerWaalsContact OG-CD 3.32Å; S10-R15 WeakPolarHBondContact OG-CD 3.24Å; S10-R15 PolarHBondContact OG-NH1 3.15Å; S10-R15 VanDerWaalsContact OG-NH1 3.12Å
11R83.5Confident79.9Confident114 Ų11478.3 Ų78.343%0.4341%0.409SS..THydrogen-bonded Turntrans47.7-121.5-176.2-59.7-179.1172.9-173.3-1.2110.9G7 L8 K13 D487 D488G7-R11 PolarHBondContact O-N 3.38Å; L8-R11 VanDerWaalsContact O-CG 3.23Å; L8-R11 WeakPolarHBondContact O-CG 3.45Å; R11-K13 VanDerWaalsContact C-N 3.27Å; R11-K13 PolarHBondContact O-N 3.25Å; R11-D487 PolarHBondContact NH1-O 2.96Å; R11-D488 WeakPolarHBondContact CD-OD1 3.4Å; R11-D488 IonicContact CZ-OD1 3.74Å; R11-D488 IonicContact NE-OD1 3.95Å; R11-D488 IonicContact NH1-OD1 2.73Å; R11-D488 PolarHBondContact NH1-OD1 3.29Å
12H86.3Confident82.5Confident63 Ų6369.6 Ų69.629%0.29237%0.367SS..THydrogen-bonded Turntrans-82.113.3-179-45.9-87.3000114.6S10 T160 D161 D485S10-H12 PolarHBondContact O-N 3.48Å; H12-T160 CarbonylContact O-C 3.57Å; H12-T160 WeakPolarHBondContact O-CA 3.45Å; H12-T160 WeakPolarHBondContact O-CB 3.37Å; H12-D161 PolarHBondContact O-N 2.73Å; H12-D485 IonicContact CE1-OD2 2.68Å; H12-D485 IonicContact NE2-OD2 3.43Å
13K89.3Confident84.8Confident17 Ų1763.9 Ų63.97%0.07433%0.33CS..BIsolated β-bridgetrans-83133174.7-69.5175.8-73.51660110.8S10 R11 R15 D24 A126 R159 T160S10-K13 VanDerWaalsContact O-CB 3.3Å; S10-K13 WeakPolarHBondContact O-CB 3.34Å; S10-K13 WeakPolarHBondContact O-CE 3.44Å; S10-K13 WeakPolarHBondContact O-CG 3.39Å; S10-K13 PolarHBondContact O-N 2.82Å; R11-K13 VanDerWaalsContact C-N 3.27Å; R11-K13 PolarHBondContact O-N 3.25Å; K13-R15 PolarHBondContact O-N 3.32Å; K13-D24 IonicContact NZ-OD1 2.69Å; K13-D24 IonicContact NZ-OD2 2.63Å; K13-D24 PolarHBondContact NZ-OD2 3.12Å; K13-A126 VanDerWaalsContact CD-O 3.3Å; K13-A126 WeakPolarHBondContact CD-O 3.16Å; K13-A126 PolarHBondContact NZ-O 2.93Å; K13-R159 WeakPolarHBondContact CA-O 3.37Å; K13-T160 HydrophobicContact CG-CG2 4.26Å
14K91Very high86.5Confident76 Ų7656.2 Ų56.233%0.3330%0.297SS..  trans-65.7115.3176.9-73.7177.2174.5177.30110.2S26 E157 Q158 R159 T160 D161K14-S26 PolarHBondContact O-OG 3.17Å; K14-E157 PolarHBondContact NZ-O 2.83Å; K14-Q158 WeakPolarHBondContact CD-O 3.35Å; K14-R159 PolarHBondContact N-O 3.07Å; K14-R159 PolarHBondContact O-NH1 2.91Å; K14-T160 WeakPolarHBondContact CE-O 3.15Å; K14-D161 WeakPolarHBondContact CE-OD1 3.17Å; K14-D161 WeakPolarHBondContact CG-OD1 3.12Å
15R93.8Very high87.3Confident43 Ų4352.8 Ų52.816%0.16228%0.276CS..  trans-89.5144.5177.7-57.6-177.768.872.414.5110.8K6 S10 K13 Q17 D22 L23K6-R15 PolarHBondContact O-NH1 3.45Å; S10-R15 VanDerWaalsContact OG-CD 3.32Å; S10-R15 WeakPolarHBondContact OG-CD 3.24Å; S10-R15 PolarHBondContact OG-NH1 3.15Å; S10-R15 VanDerWaalsContact OG-NH1 3.12Å; K13-R15 PolarHBondContact O-N 3.32Å; R15-Q17 HydrophobicContact CB-CG 3.96Å; R15-Q17 PolarHBondContact O-N 3.07Å; R15-D22 IonicContact CZ-OD1 2.72Å; R15-D22 VanDerWaalsContact CZ-OD1 3.24Å; R15-D22 IonicContact NE-OD1 3.32Å; R15-D22 PolarHBondContact NE-OD1 2.88Å; R15-D22 IonicContact NE-OD2 2.87Å; R15-D22 PolarHBondContact NH2-O 3.3Å; R15-D22 VanDerWaalsContact NH2-O 3.12Å; R15-D22 IonicContact NH2-OD1 3.58Å; R15-D22 PolarHBondContact NH2-OD1 2.94Å; R15-D22 IonicContact NH2-OD2 3.24Å; R15-L23 CarbonylContact C-O 3.57Å; R15-L23 VanDerWaalsContact CA-O 3.31Å; R15-L23 WeakPolarHBondContact CA-O 3.42Å; R15-L23 WeakPolarHBondContact CB-O 3.16Å
16F94.5Very high88.1Confident16 Ų1648.8 Ų48.87%0.0726%0.255CS..BIsolated β-bridgetrans-81.7109.6167.4-175.3-87.8000109.3Q18 F21 D22 L23 L25 Y27 F56 R60F16-Q18 HydrophobicContact CE1-CB 3.86Å; F16-Q18 WeakPolarHBondContact CE1-O 3.45Å; F16-Q18 HydrophobicContact CE2-CB 4.27Å; F16-Q18 HydrophobicContact CE2-CG 4.25Å; F16-Q18 HydrophobicContact CZ-CB 3.6Å; F16-Q18 HydrophobicContact CZ-CG 4.07Å; F16-F21 HydrophobicContact CD1-CB 3.92Å; F16-F21 HydrophobicContact CE1-CB 3.97Å; F16-F21 HydrophobicContact CE1-CD2 4.33Å; F16-F21 HydrophobicContact CE1-CG 4.48Å; F16-D22 WeakPolarHBondContact O-CA 3.45Å; F16-L23 HydrophobicContact CB-CB 4.47Å; F16-L23 PolarHBondContact N-O 3.05Å; F16-L23 PolarHBondContact O-N 3.45Å; F16-L25 HydrophobicContact CB-CB 4.19Å; F16-L25 HydrophobicContact CB-CD2 4Å; F16-L25 WeakPolarHBondContact CB-O 3.2Å; F16-L25 HydrophobicContact CD2-CD2 4.45Å; F16-L25 HydrophobicContact CG-CD2 4.29Å; F16-L25 PolarHBondContact N-O 3.25Å; F16-L25 VanDerWaalsContact N-O 3.11Å; F16-Y27 HydrophobicContact CD2-CD2 4.42Å; F16-Y27 HydrophobicContact CD2-CE2 4.16Å; F16-Y27 HydrophobicContact CE2-CE2 4.06Å; F16-F56 HydrophobicContact CD1-CD2 4.21Å; F16-F56 AromaticContact CD1-CE2 3.69Å; F16-F56 HydrophobicContact CD1-CE2 3.69Å; F16-F56 HydrophobicContact CD2-CE2 4.32Å; F16-F56 HydrophobicContact CE1-CD2 4.08Å; F16-F56 AromaticContact CE1-CE2 3.56Å; F16-F56 HydrophobicContact CE1-CE2 3.56Å; F16-F56 HydrophobicContact CE2-CE2 4.2Å; F16-F56 HydrophobicContact CG-CE2 4.08Å; F16-F56 AromaticContact CZ-CE2 3.83Å; F16-F56 HydrophobicContact CZ-CE2 3.83Å; F16-R60 VanDerWaalsContact CZ-CZ 3.46Å
17Q92.2Very high89Confident124 Ų12449.7 Ų49.758%0.57926%0.258SS*.  trans-127.366.7-176.2-66.2-171.4-36.500111.2R15 F21 D22R15-Q17 HydrophobicContact CB-CG 3.96Å; R15-Q17 PolarHBondContact O-N 3.07Å; Q17-F21 WeakPolarHBondContact CA-O 3.48Å; Q17-D22 WeakPolarHBondContact CG-OD1 3.05Å; Q17-D22 PolarHBondContact NE2-OD1 2.89Å
18Q92.6Very high90.2Very high106 Ų10648.7 Ų48.750%0.49525%0.248SC..  trans-141.8160.6-179.5-52.5174.1-5.100110.2F16 G20 F21F16-Q18 HydrophobicContact CE1-CB 3.86Å; F16-Q18 WeakPolarHBondContact CE1-O 3.45Å; F16-Q18 HydrophobicContact CE2-CB 4.27Å; F16-Q18 HydrophobicContact CE2-CG 4.25Å; F16-Q18 HydrophobicContact CZ-CB 3.6Å; F16-Q18 HydrophobicContact CZ-CG 4.07Å; Q18-G20 PolarHBondContact O-N 3.45Å; Q18-F21 PolarHBondContact N-O 2.98Å; Q18-F21 WeakPolarHBondContact O-CB 3.44Å; Q18-F21 PolarHBondContact O-N 3.43Å
19D91.8Very high91.3Very high116 Ų11645.3 Ų45.362%0.6223%0.232SC*.THydrogen-bonded Turntrans49.633173.6-52.6-11.5000115.6F21 R60D19-F21 VanDerWaalsContact C-N 3.34Å; D19-F21 HydrophobicContact CB-CD2 4.19Å; D19-F21 HydrophobicContact CB-CE2 4.4Å; D19-F21 WeakPolarHBondContact O-CD2 3.15Å; D19-R60 IonicContact OD2-CZ 2.7Å; D19-R60 IonicContact OD2-NE 3.99Å; D19-R60 PolarHBondContact OD2-NE 3.25Å; D19-R60 IonicContact OD2-NH2 3.15Å; D19-R60 PolarHBondContact OD2-NH2 2.83Å
20G91.7Very high92.3Very high69 Ų6948.7 Ų48.771%0.71125%0.253SS*.THydrogen-bonded Turntrans77.414.9-178.700000115.1Q18 R55Q18-G20 PolarHBondContact O-N 3.45Å; G20-R55 PolarHBondContact O-NH2 2.78Å
21F93.7Very high93.5Very high16 Ų1651.8 Ų51.87%0.0726%0.264CS..  trans-103.5143.3169.4-60.6-85.7000111F16 Q17 Q18 D19 L23 R55 F56F16-F21 HydrophobicContact CD1-CB 3.92Å; F16-F21 HydrophobicContact CE1-CB 3.97Å; F16-F21 HydrophobicContact CE1-CD2 4.33Å; F16-F21 HydrophobicContact CE1-CG 4.48Å; Q17-F21 WeakPolarHBondContact CA-O 3.48Å; Q18-F21 PolarHBondContact N-O 2.98Å; Q18-F21 WeakPolarHBondContact O-CB 3.44Å; Q18-F21 PolarHBondContact O-N 3.43Å; D19-F21 VanDerWaalsContact C-N 3.34Å; D19-F21 HydrophobicContact CB-CD2 4.19Å; D19-F21 HydrophobicContact CB-CE2 4.4Å; D19-F21 WeakPolarHBondContact O-CD2 3.15Å; F21-L23 HydrophobicContact CB-CD1 4.44Å; F21-L23 HydrophobicContact CB-CG 4.5Å; F21-L23 HydrophobicContact CD1-CD1 4.23Å; F21-R55 HydrophobicContact CE1-CB 4.14Å; F21-R55 HydrophobicContact CE1-CG 3.96Å; F21-R55 HydrophobicContact CZ-CG 4.04Å; F21-F56 HydrophobicContact CD1-CB 3.78Å; F21-F56 HydrophobicContact CD1-CD2 4.18Å; F21-F56 HydrophobicContact CD1-CG 4.48Å; F21-F56 HydrophobicContact CD2-CD2 4.19Å; F21-F56 VanDerWaalsContact CE1-CA 3.41Å; F21-F56 HydrophobicContact CE1-CB 3.54Å; F21-F56 HydrophobicContact CE1-CD2 4.43Å; F21-F56 HydrophobicContact CE1-CG 4.5Å; F21-F56 HydrophobicContact CE2-CD2 4.44Å; F21-F56 HydrophobicContact CG-CB 4.5Å; F21-F56 HydrophobicContact CG-CD2 4.06Å; F21-F56 HydrophobicContact CZ-CB 4.08Å
22D93.6Very high94.2Very high45 Ų4546.3 Ų46.324%0.24124%0.243CC..  trans-13390.4166.3177.617.1000108.9R15 F16 Q17R15-D22 IonicContact CZ-OD1 2.72Å; R15-D22 VanDerWaalsContact CZ-OD1 3.24Å; R15-D22 IonicContact NE-OD1 3.32Å; R15-D22 PolarHBondContact NE-OD1 2.88Å; R15-D22 IonicContact NE-OD2 2.87Å; R15-D22 PolarHBondContact NH2-O 3.3Å; R15-D22 VanDerWaalsContact NH2-O 3.12Å; R15-D22 IonicContact NH2-OD1 3.58Å; R15-D22 PolarHBondContact NH2-OD1 2.94Å; R15-D22 IonicContact NH2-OD2 3.24Å; F16-D22 WeakPolarHBondContact O-CA 3.45Å; Q17-D22 WeakPolarHBondContact CG-OD1 3.05Å; Q17-D22 PolarHBondContact NE2-OD1 2.89Å
23L94.9Very high94.8Very high0 Ų043.3 Ų43.30%023%0.23CC..BIsolated β-bridgetrans-121.9139.3-172.1-69.3174.5000111.7R15 F16 F21 L25 N48 D52 V53 F56R15-L23 CarbonylContact C-O 3.57Å; R15-L23 VanDerWaalsContact CA-O 3.31Å; R15-L23 WeakPolarHBondContact CA-O 3.42Å; R15-L23 WeakPolarHBondContact CB-O 3.16Å; F16-L23 HydrophobicContact CB-CB 4.47Å; F16-L23 PolarHBondContact N-O 3.05Å; F16-L23 PolarHBondContact O-N 3.45Å; F21-L23 HydrophobicContact CB-CD1 4.44Å; F21-L23 HydrophobicContact CB-CG 4.5Å; F21-L23 HydrophobicContact CD1-CD1 4.23Å; L23-L25 HydrophobicContact CB-CB 3.84Å; L23-L25 HydrophobicContact CD1-CD1 4.33Å; L23-L25 PolarHBondContact O-N 3.48Å; L23-N48 WeakPolarHBondContact CA-OD1 3.5Å; L23-N48 HydrophobicContact CD2-CB 3.9Å; L23-D52 HydrophobicContact CD2-CB 3.74Å; L23-V53 HydrophobicContact CD2-CG2 3.94Å; L23-F56 HydrophobicContact CD1-CB 3.8Å; L23-F56 HydrophobicContact CD1-CD1 4.48Å; L23-F56 HydrophobicContact CD1-CD2 4.06Å; L23-F56 HydrophobicContact CD1-CG 3.88Å
24D95.3Very high95.2Very high9 Ų942.5 Ų42.55%0.04823%0.226CC..SBendtrans-7279.1162-177.715.8000109.1K13 M35 G36 N48 R159K13-D24 IonicContact NZ-OD1 2.69Å; K13-D24 IonicContact NZ-OD2 2.63Å; K13-D24 PolarHBondContact NZ-OD2 3.12Å; D24-M35 WeakPolarHBondContact O-CA 3.43Å; D24-G36 PolarHBondContact O-N 2.88Å; D24-N48 WeakPolarHBondContact CB-OD1 3.22Å; D24-N48 PolarHBondContact N-OD1 3.28Å; D24-N48 PolarHBondContact O-ND2 3.08Å; D24-R159 IonicContact OD1-CZ 2.9Å; D24-R159 VanDerWaalsContact OD1-CZ 3.23Å; D24-R159 IonicContact OD1-NH1 3.26Å; D24-R159 PolarHBondContact OD1-NH1 3.24Å; D24-R159 IonicContact OD1-NH2 2.68Å; D24-R159 PolarHBondContact OD1-NH2 2.95Å; D24-R159 IonicContact OD2-NH2 2.68Å
25L95.5Very high95.5Very high1 Ų138.9 Ų38.91%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-152.9140.1-170.6-177.5150.7000108.6F16 L23 Y27 I33 A34 M35 F56F16-L25 HydrophobicContact CB-CB 4.19Å; F16-L25 HydrophobicContact CB-CD2 4Å; F16-L25 WeakPolarHBondContact CB-O 3.2Å; F16-L25 HydrophobicContact CD2-CD2 4.45Å; F16-L25 HydrophobicContact CG-CD2 4.29Å; F16-L25 PolarHBondContact N-O 3.25Å; F16-L25 VanDerWaalsContact N-O 3.11Å; L23-L25 HydrophobicContact CB-CB 3.84Å; L23-L25 HydrophobicContact CD1-CD1 4.33Å; L23-L25 PolarHBondContact O-N 3.48Å; L25-Y27 HydrophobicContact CD2-CD2 4.41Å; L25-Y27 HydrophobicContact CD2-CE2 4.23Å; L25-I33 HydrophobicContact CD1-CG2 3.82Å; L25-I33 HydrophobicContact CD2-CG2 3.73Å; L25-I33 HydrophobicContact CG-CG2 3.51Å; L25-A34 CarbonylContact C-O 3.59Å; L25-A34 WeakPolarHBondContact CA-O 3.16Å; L25-M35 HydrophobicContact CB-CB 4.08Å; L25-M35 HydrophobicContact CD1-CB 4.13Å; L25-M35 HydrophobicContact CD1-SD 4.19Å; L25-M35 HydrophobicContact CG-CB 4.02Å; L25-F56 HydrophobicContact CD1-CD1 3.92Å; L25-F56 HydrophobicContact CD1-CE1 3.53Å; L25-F56 HydrophobicContact CD1-CZ 3.97Å; L25-F56 HydrophobicContact CD2-CE1 3.92Å; L25-F56 HydrophobicContact CD2-CE2 4.35Å; L25-F56 HydrophobicContact CD2-CZ 3.56Å; L25-F56 HydrophobicContact CG-CE1 4.42Å; L25-F56 HydrophobicContact CG-CZ 4.46Å
26S97.4Very high95.6Very high8 Ų837 Ų376%0.05620%0.204CC..EExtended strand (participates in β ladder)trans-140.9134.1177.7-39.80000110K14 I28 I33 A34 R159K14-S26 PolarHBondContact O-OG 3.17Å; S26-I28 PolarHBondContact O-N 3.24Å; S26-I33 WeakPolarHBondContact O-CA 3.32Å; S26-A34 PolarHBondContact N-O 3.06Å; S26-A34 PolarHBondContact O-N 3.45Å; S26-R159 VanDerWaalsContact OG-CD 3.24Å; S26-R159 WeakPolarHBondContact OG-CD 3.14Å; S26-R159 PolarHBondContact OG-NH1 3.06Å
27Y97.8Very high95.6Very high53 Ų5336.6 Ų36.621%0.20820%0.202CC..EExtended strand (participates in β ladder)trans-75.4113.8163.4-70.7-97.1000107.4F16 L25 I33 F56 H61F16-Y27 HydrophobicContact CD2-CD2 4.42Å; F16-Y27 HydrophobicContact CD2-CE2 4.16Å; F16-Y27 HydrophobicContact CE2-CE2 4.06Å; L25-Y27 HydrophobicContact CD2-CD2 4.41Å; L25-Y27 HydrophobicContact CD2-CE2 4.23Å; Y27-I33 HydrophobicContact CD1-CD1 4.15Å; Y27-I33 HydrophobicContact CD1-CG1 3.67Å; Y27-I33 HydrophobicContact CE1-CD1 3.59Å; Y27-I33 HydrophobicContact CE1-CG1 3.65Å; Y27-I33 HydrophobicContact CG-CG1 4.21Å; Y27-F56 AromaticContact CE2-CZ 3.79Å; Y27-F56 HydrophobicContact CE2-CZ 3.79Å; Y27-F56 AromaticContact CZ-CZ 3.87Å; Y27-F56 VanDerWaalsContact OH-CZ 3.26Å; Y27-F56 WeakPolarHBondContact OH-CZ 3.17Å; Y27-H61 AromaticContact CE1-NE2 3.66Å; Y27-H61 AromaticContact CZ-NE2 3.67Å; Y27-H61 PolarHBondContact OH-NE2 3.49Å
28I98.2Very high95.7Very high0 Ų030.7 Ų30.70%017%0.174CC..EExtended strand (participates in β ladder)trans-81-51.8177.8-56-58.1000108.6S26 I32 A34 V135 L139 F154 Y155 Q158 R159S26-I28 PolarHBondContact O-N 3.24Å; I28-I32 PolarHBondContact N-O 2.91Å; I28-A34 HydrophobicContact CD1-CB 3.95Å; I28-A34 HydrophobicContact CG1-CB 3.64Å; I28-V135 HydrophobicContact CB-CG1 4.19Å; I28-V135 HydrophobicContact CG1-CG1 4.17Å; I28-V135 HydrophobicContact CG2-CG1 3.83Å; I28-L139 HydrophobicContact CG2-CD1 4.08Å; I28-F154 HydrophobicContact CG2-CD1 4.09Å; I28-F154 HydrophobicContact CG2-CE1 3.84Å; I28-F154 VanDerWaalsContact O-CE1 3.25Å; I28-F154 WeakPolarHBondContact O-CE1 2.82Å; I28-F154 VanDerWaalsContact O-CZ 3.25Å; I28-F154 WeakPolarHBondContact O-CZ 3.22Å; I28-Y155 HydrophobicContact CD1-CD2 3.92Å; I28-Y155 HydrophobicContact CD1-CE2 4.02Å; I28-Y155 HydrophobicContact CG1-CD2 4.09Å; I28-Y155 HydrophobicContact CG1-CE2 4.25Å; I28-Y155 HydrophobicContact CG2-CD2 4.23Å; I28-Q158 HydrophobicContact CD1-CB 3.81Å; I28-Q158 HydrophobicContact CG2-CB 4.24Å; I28-Q158 PolarHBondContact O-NE2 2.92Å; I28-R159 HydrophobicContact CD1-CB 3.89Å
29S96Very high95.6Very high20 Ų2025.6 Ų25.614%0.1415%0.151CC..EExtended strand (participates in β ladder)trans-118.7179161.277.80000110R31 I32 D144S29-R31 PolarHBondContact O-N 2.9Å; S29-R31 VanDerWaalsContact O-N 3.13Å; S29-I32 PolarHBondContact N-O 3.29Å; S29-I32 PolarHBondContact O-N 3.22Å; S29-I32 WeakPolarHBondContact OG-CG1 3.38Å; S29-I32 PolarHBondContact OG-N 2.91Å; S29-D144 PolarHBondContact OG-OD2 2.63Å
30T96Very high95.4Very high122 Ų12223.3 Ų23.375%0.74814%0.14SC*.THydrogen-bonded Turntrans-59.1-25.1-179.6510000113.7
31R98Very high94.8Very high69 Ų6928.2 Ų28.226%0.2614%0.142SC..THydrogen-bonded Turntrans-120.93.5-176.8-54.7-170.4-56.5158.35.7114.6S29 L112 P116 N118 V119 V120S29-R31 PolarHBondContact O-N 2.9Å; S29-R31 VanDerWaalsContact O-N 3.13Å; R31-L112 HydrophobicContact CB-CD2 4.01Å; R31-L112 PolarHBondContact NH1-O 3.33Å; R31-P116 WeakPolarHBondContact CD-O 3.4Å; R31-N118 WeakPolarHBondContact CD-O 3.4Å; R31-V119 WeakPolarHBondContact O-CA 3.15Å; R31-V120 PolarHBondContact O-N 2.97Å
32I98.6Very high93.8Very high0 Ų034.3 Ų34.30%018%0.175CC..EExtended strand (participates in β ladder)trans-123.8115.8178.6-54.9174.2000109.7I28 S29 V120 V135 C138 L139 L142I28-I32 PolarHBondContact N-O 2.91Å; S29-I32 PolarHBondContact N-O 3.29Å; S29-I32 PolarHBondContact O-N 3.22Å; S29-I32 WeakPolarHBondContact OG-CG1 3.38Å; S29-I32 PolarHBondContact OG-N 2.91Å; I32-V120 HydrophobicContact CB-CG2 4.31Å; I32-V120 HydrophobicContact CG1-CG2 4Å; I32-V120 HydrophobicContact CG2-CG2 4.21Å; I32-V135 HydrophobicContact CG2-CG1 4.07Å; I32-V135 HydrophobicContact CG2-CG2 4.06Å; I32-C138 HydrophobicContact CD1-CB 4.19Å; I32-L139 HydrophobicContact CD1-CD2 3.92Å; I32-L139 HydrophobicContact CD1-CG 4.32Å; I32-L142 HydrophobicContact CD1-CD1 3.76Å; I32-L142 HydrophobicContact CG1-CD1 4.49Å
33I98.6Very high93Very high0 Ų033.9 Ų33.90%017%0.171CC..EExtended strand (participates in β ladder)trans-102.8131.7175.1-62.9174000109.3L25 S26 Y27 F56 V119 V120 A121 I122L25-I33 HydrophobicContact CD1-CG2 3.82Å; L25-I33 HydrophobicContact CD2-CG2 3.73Å; L25-I33 HydrophobicContact CG-CG2 3.51Å; S26-I33 WeakPolarHBondContact O-CA 3.32Å; Y27-I33 HydrophobicContact CD1-CD1 4.15Å; Y27-I33 HydrophobicContact CD1-CG1 3.67Å; Y27-I33 HydrophobicContact CE1-CD1 3.59Å; Y27-I33 HydrophobicContact CE1-CG1 3.65Å; Y27-I33 HydrophobicContact CG-CG1 4.21Å; I33-F56 HydrophobicContact CD1-CE1 4.11Å; I33-V119 HydrophobicContact CD1-CG1 3.67Å; I33-V119 HydrophobicContact CG1-CG1 3.87Å; I33-V120 PolarHBondContact N-O 3.06Å; I33-A121 HydrophobicContact CB-CB 4.18Å; I33-A121 HydrophobicContact CG2-CB 4.37Å; I33-A121 WeakPolarHBondContact O-CA 3.29Å; I33-I122 PolarHBondContact O-N 2.93Å
34A98.6Very high91.5Very high0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-105.6130.8165.800000109.3L25 S26 I28 T131 V135 Y155L25-A34 CarbonylContact C-O 3.59Å; L25-A34 WeakPolarHBondContact CA-O 3.16Å; S26-A34 PolarHBondContact N-O 3.06Å; S26-A34 PolarHBondContact O-N 3.45Å; I28-A34 HydrophobicContact CD1-CB 3.95Å; I28-A34 HydrophobicContact CG1-CB 3.64Å; A34-T131 HydrophobicContact CB-CG2 3.68Å; A34-V135 HydrophobicContact CB-CG2 4.39Å; A34-Y155 HydrophobicContact CB-CE2 4.03Å
35M97.4Very high90.1Very high0 Ų037.6 Ų37.60%020%0.195CC..EExtended strand (participates in β ladder)trans-142.6156-178.466.6-176.3179.900114D24 L25 V53 I67 A121 I122 N123 G127D24-M35 WeakPolarHBondContact O-CA 3.43Å; L25-M35 HydrophobicContact CB-CB 4.08Å; L25-M35 HydrophobicContact CD1-CB 4.13Å; L25-M35 HydrophobicContact CD1-SD 4.19Å; L25-M35 HydrophobicContact CG-CB 4.02Å; M35-V53 HydrophobicContact CE-CG1 4.41Å; M35-V53 HydrophobicContact SD-CG1 3.98Å; M35-I67 HydrophobicContact CE-CG2 4.03Å; M35-A121 HydrophobicContact CE-CB 3.86Å; M35-A121 HydrophobicContact SD-CB 4.23Å; M35-I122 PolarHBondContact N-O 3.17Å; M35-I122 VanDerWaalsContact N-O 3.1Å; M35-N123 HydrophobicContact CE-CB 3.8Å; M35-N123 HydrophobicContact CG-CB 3.56Å; M35-N123 WeakPolarHBondContact O-CA 3.33Å; M35-N123 WeakPolarHBondContact O-CB 3.36Å; M35-G127 WeakPolarHBondContact O-CA 3.16Å
36G94.6Very high89.3Confident2 Ų241.3 Ų41.32%0.02121%0.209CC..  trans-71.6168.716600000112.4D24 N48 C124D24-G36 PolarHBondContact O-N 2.88Å; G36-N48 PolarHBondContact O-ND2 2.85Å; G36-C124 CarbonylContact C-O 3.6Å
37F94.3Very high88.9Confident8 Ų842 Ų424%0.03521%0.211CC..  trans-59.8131.2-175.1-174.6-104.7000113.3A39 H69 R74 F76 C124 K125F37-A39 HydrophobicContact CD1-CB 3.99Å; F37-A39 HydrophobicContact CE1-CB 4.38Å; F37-A39 PolarHBondContact O-N 3.13Å; F37-A39 VanDerWaalsContact O-N 3.07Å; F37-H69 AromaticContact CD2-CE1 3.72Å; F37-H69 AromaticContact CE2-CE1 3.62Å; F37-H69 AromaticContact CE2-NE2 3.77Å; F37-R74 HydrophobicContact CE2-CB 3.84Å; F37-R74 HydrophobicContact CZ-CB 3.89Å; F37-F76 AromaticContact CE2-CD1 3.84Å; F37-F76 HydrophobicContact CE2-CD1 3.84Å; F37-F76 HydrophobicContact CZ-CD1 4.22Å; F37-C124 PolarHBondContact N-O 2.84Å; F37-K125 PolarHBondContact N-O 3.3Å; F37-K125 VanDerWaalsContact N-O 3.16Å
38P94.4Very high88.6Confident0 Ų039.5 Ų39.50%020%0.201CC..EExtended strand (participates in β ladder)trans-77.489.417432.4-33.6000109.8I50 V53 F76 F81 N123P38-I50 HydrophobicContact CB-CB 4.36Å; P38-I50 HydrophobicContact CB-CG1 4.19Å; P38-V53 HydrophobicContact CB-CB 4.42Å; P38-V53 HydrophobicContact CB-CG2 4.19Å; P38-F76 HydrophobicContact CG-CD1 3.63Å; P38-F76 HydrophobicContact CG-CE1 3.68Å; P38-F76 HydrophobicContact CG-CG 4.13Å; P38-F76 HydrophobicContact CG-CZ 4.21Å; P38-F81 HydrophobicContact CB-CZ 4.22Å; P38-F81 HydrophobicContact CG-CZ 4.35Å; P38-N123 WeakPolarHBondContact CD-ND2 3.31Å
39A91.6Very high88.3Confident0 Ų042.3 Ų42.30%021%0.214CC..EExtended strand (participates in β ladder)trans-81.8157.6-171.200000114F37 E43 R47 N48 I50F37-A39 HydrophobicContact CD1-CB 3.99Å; F37-A39 HydrophobicContact CE1-CB 4.38Å; F37-A39 PolarHBondContact O-N 3.13Å; F37-A39 VanDerWaalsContact O-N 3.07Å; A39-E43 HydrophobicContact CB-CB 3.83Å; A39-E43 HydrophobicContact CB-CG 3.53Å; A39-R47 HydrophobicContact CB-CB 3.98Å; A39-N48 WeakPolarHBondContact CB-O 3.28Å; A39-N48 PolarHBondContact N-O 2.55Å; A39-I50 WeakPolarHBondContact O-CB 3.47Å; A39-I50 PolarHBondContact O-N 3.15Å
40V86.8Confident88.3Confident67 Ų6741.4 Ų41.441%0.40621%0.208SC..  trans-116.1147.8-177.7-176.10000109.4I50V40-I50 HydrophobicContact CG2-CB 4.48Å; V40-I50 HydrophobicContact CG2-CD1 4.41Å; V40-I50 HydrophobicContact CG2-CG2 4.07Å
41K79.5Confident88.2Confident172 Ų17239.1 Ų39.175%0.74819%0.191SC*.G310 helixtrans55-138.1179.8-63.6160.5-179.6-178.30111.6E43 G44K41-E43 VanDerWaalsContact C-N 3.26Å; K41-E43 PolarHBondContact O-N 3.41Å; K41-G44 PolarHBondContact O-N 3.07Å
42L72.8Confident88.1Confident145 Ų14537.6 Ų37.676%0.75919%0.188SC*.G310 helixtrans-59.1-28.9-172-63.8173.5000113.9G44 V45L42-G44 VanDerWaalsContact C-N 3.25Å; L42-G44 PolarHBondContact O-N 2.92Å; L42-V45 VanDerWaalsContact O-CB 3.28Å; L42-V45 WeakPolarHBondContact O-CB 3.29Å; L42-V45 VanDerWaalsContact O-CG2 3.31Å; L42-V45 WeakPolarHBondContact O-CG2 3.21Å; L42-V45 PolarHBondContact O-N 3.24Å; L42-V45 VanDerWaalsContact O-N 3.13Å
43E77.9Confident88Confident35 Ų3537.6 Ų37.616%0.16419%0.188CC..G310 helixtrans-67.5-28.4176.1-178.9166.8-143.500112.1A39 K41 V45 Y46 R47 R74A39-E43 HydrophobicContact CB-CB 3.83Å; A39-E43 HydrophobicContact CB-CG 3.53Å; K41-E43 VanDerWaalsContact C-N 3.26Å; K41-E43 PolarHBondContact O-N 3.41Å; E43-V45 PolarHBondContact O-N 2.74Å; E43-Y46 HydrophobicContact CB-CE1 4.16Å; E43-Y46 HydrophobicContact CG-CE1 4.02Å; E43-Y46 HydrophobicContact CG-CE2 3.86Å; E43-Y46 PolarHBondContact O-N 3.11Å; E43-Y46 VanDerWaalsContact O-N 3.13Å; E43-Y46 PolarHBondContact OE1-OH 3.47Å; E43-R47 HydrophobicContact CG-CB 4.32Å; E43-R47 HydrophobicContact CG-CG 3.89Å; E43-R47 PolarHBondContact O-N 2.81Å; E43-R47 VanDerWaalsContact OE1-CD 3.3Å; E43-R47 WeakPolarHBondContact OE1-CD 3.47Å; E43-R47 IonicContact OE1-CZ 3.58Å; E43-R47 IonicContact OE1-NE 3.61Å; E43-R47 PolarHBondContact OE1-NE 3.37Å; E43-R47 IonicContact OE1-NH2 3.53Å; E43-R74 IonicContact OE1-CZ 2.67Å; E43-R74 IonicContact OE1-NH1 3.39Å; E43-R74 PolarHBondContact OE1-NH1 2.98Å; E43-R74 IonicContact OE2-NH1 3.76Å; E43-R74 PolarHBondContact OE2-NH1 3.36Å
44G63.3Low87.9Confident3 Ų338.2 Ų38.23%0.03119%0.191CC..G310 helixtrans-68.1-8.8173.300000114.7K6 K41 L42 Y46K6-G44 WeakPolarHBondContact CE-O 3.47Å; K41-G44 PolarHBondContact O-N 3.07Å; L42-G44 VanDerWaalsContact C-N 3.25Å; L42-G44 PolarHBondContact O-N 2.92Å; G44-Y46 VanDerWaalsContact C-N 3.34Å
45V64.8Low87.8Confident85 Ų8543.5 Ų43.552%0.51521%0.212SC..G310 helixtrans-73.2-29.7172-173.40000111L5 K6 L42 E43L5-V45 HydrophobicContact CD2-CG1 4.13Å; K6-V45 WeakPolarHBondContact CG-O 3.39Å; L42-V45 VanDerWaalsContact O-CB 3.28Å; L42-V45 WeakPolarHBondContact O-CB 3.29Å; L42-V45 VanDerWaalsContact O-CG2 3.31Å; L42-V45 WeakPolarHBondContact O-CG2 3.21Å; L42-V45 PolarHBondContact O-N 3.24Å; L42-V45 VanDerWaalsContact O-N 3.13Å; E43-V45 PolarHBondContact O-N 2.74Å
46Y78.3Confident87.8Confident78 Ų7843.5 Ų43.531%0.30621%0.212SC..THydrogen-bonded Turntrans-117.5-16.7-178.270.4-104.9000114.6V9 E43 G44V9-Y46 WeakPolarHBondContact CB-O 3.39Å; V9-Y46 HydrophobicContact CG1-CD2 4.18Å; V9-Y46 HydrophobicContact CG2-CD2 3.92Å; V9-Y46 HydrophobicContact CG2-CG 4.36Å; E43-Y46 HydrophobicContact CB-CE1 4.16Å; E43-Y46 HydrophobicContact CG-CE1 4.02Å; E43-Y46 HydrophobicContact CG-CE2 3.86Å; E43-Y46 PolarHBondContact O-N 3.11Å; E43-Y46 VanDerWaalsContact O-N 3.13Å; E43-Y46 PolarHBondContact OE1-OH 3.47Å; G44-Y46 VanDerWaalsContact C-N 3.34Å
47R88.6Confident88Confident23 Ų2343.5 Ų43.59%0.08721%0.211CC..SBendtrans-106-161.8167.4-60.5-159.9-174.9-90.3-15.4111.3K6 A39 E43 K125K6-R47 VanDerWaalsContact CE-O 3.24Å; K6-R47 WeakPolarHBondContact CE-O 3.4Å; A39-R47 HydrophobicContact CB-CB 3.98Å; E43-R47 HydrophobicContact CG-CB 4.32Å; E43-R47 HydrophobicContact CG-CG 3.89Å; E43-R47 PolarHBondContact O-N 2.81Å; E43-R47 VanDerWaalsContact OE1-CD 3.3Å; E43-R47 WeakPolarHBondContact OE1-CD 3.47Å; E43-R47 IonicContact OE1-CZ 3.58Å; E43-R47 IonicContact OE1-NE 3.61Å; E43-R47 PolarHBondContact OE1-NE 3.37Å; E43-R47 IonicContact OE1-NH2 3.53Å; R47-K125 PolarHBondContact NH1-O 2.93Å
48N91.5Very high88.1Confident1 Ų147 Ų471%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-73125.5167.7-65.4-19.9000108.5L23 D24 G36 A39 V53L23-N48 WeakPolarHBondContact CA-OD1 3.5Å; L23-N48 HydrophobicContact CD2-CB 3.9Å; D24-N48 WeakPolarHBondContact CB-OD1 3.22Å; D24-N48 PolarHBondContact N-OD1 3.28Å; D24-N48 PolarHBondContact O-ND2 3.08Å; G36-N48 PolarHBondContact O-ND2 2.85Å; A39-N48 WeakPolarHBondContact CB-O 3.28Å; A39-N48 PolarHBondContact N-O 2.55Å; N48-V53 HydrophobicContact CB-CG2 3.69Å
49H93Very high88.2Confident59 Ų5951.6 Ų51.627%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-73.9133.7169.5-165.6-90.2000108.6D51 D52 V53H49-D51 VanDerWaalsContact C-N 3.25Å; H49-D51 IonicContact CE1-OD2 3.11Å; H49-D51 PolarHBondContact CE1-OD2 3.04Å; H49-D51 IonicContact ND1-OD2 3.41Å; H49-D51 PolarHBondContact ND1-OD2 3.04Å; H49-D51 PolarHBondContact O-N 2.04Å; H49-D52 WeakPolarHBondContact O-CB 3.15Å; H49-D52 PolarHBondContact O-N 2.96Å; H49-V53 PolarHBondContact O-N 3.15Å
50I94.9Very high88.4Confident1 Ų155.8 Ų55.81%0.00527%0.272CS..Hα-helixtrans-55.5-40.3-173.3-171.9159.4000112.4P38 A39 V40 D52 V53 V54 F76 R80 F81P38-I50 HydrophobicContact CB-CB 4.36Å; P38-I50 HydrophobicContact CB-CG1 4.19Å; A39-I50 WeakPolarHBondContact O-CB 3.47Å; A39-I50 PolarHBondContact O-N 3.15Å; V40-I50 HydrophobicContact CG2-CB 4.48Å; V40-I50 HydrophobicContact CG2-CD1 4.41Å; V40-I50 HydrophobicContact CG2-CG2 4.07Å; I50-D52 VanDerWaalsContact C-N 3.33Å; I50-D52 PolarHBondContact O-N 3.31Å; I50-V53 PolarHBondContact O-N 3.04Å; I50-V53 VanDerWaalsContact O-N 3.1Å; I50-V54 HydrophobicContact CG1-CG2 4.23Å; I50-V54 WeakPolarHBondContact O-CG2 3.39Å; I50-V54 PolarHBondContact O-N 2.9Å; I50-F76 HydrophobicContact CD1-CB 4.14Å; I50-F76 HydrophobicContact CD1-CD2 4.48Å; I50-R80 HydrophobicContact CD1-CB 3.98Å; I50-R80 HydrophobicContact CD1-CG 4.11Å; I50-R80 HydrophobicContact CG1-CB 4.41Å; I50-F81 HydrophobicContact CD1-CE2 3.96Å; I50-F81 HydrophobicContact CD1-CZ 4.17Å; I50-F81 HydrophobicContact CG1-CE2 4.23Å; I50-F81 HydrophobicContact CG1-CZ 3.93Å
51D94.6Very high88.9Confident73 Ų7354 Ų5439%0.3926%0.259SS..Hα-helixtrans-62.8-34.1177-67.1-74.3000113.7H49 V53 R55 R80H49-D51 VanDerWaalsContact C-N 3.25Å; H49-D51 IonicContact CE1-OD2 3.11Å; H49-D51 PolarHBondContact CE1-OD2 3.04Å; H49-D51 IonicContact ND1-OD2 3.41Å; H49-D51 PolarHBondContact ND1-OD2 3.04Å; H49-D51 PolarHBondContact O-N 2.04Å; D51-V53 VanDerWaalsContact C-N 3.31Å; D51-V53 PolarHBondContact O-N 3.35Å; D51-R55 WeakPolarHBondContact O-CB 3.2Å; D51-R55 PolarHBondContact O-N 3.38Å; D51-R80 IonicContact OD1-CZ 3.81Å; D51-R80 IonicContact OD1-NH2 2.63Å; D51-R80 PolarHBondContact OD1-NH2 2.06Å; D51-R80 IonicContact OD2-CZ 4Å; D51-R80 IonicContact OD2-NH2 2.78Å; D51-R80 PolarHBondContact OD2-NH2 2.97Å
52D95.4Very high89.7Confident38 Ų3848.2 Ų48.220%0.20324%0.243CC..Hα-helixtrans-65.9-37.7174.5-70.3-36.7000110.6K6 L23 H49 I50 R55 F56K6-D52 IonicContact NZ-OD2 3.41Å; K6-D52 PolarHBondContact NZ-OD2 3.42Å; L23-D52 HydrophobicContact CD2-CB 3.74Å; H49-D52 WeakPolarHBondContact O-CB 3.15Å; H49-D52 PolarHBondContact O-N 2.96Å; I50-D52 VanDerWaalsContact C-N 3.33Å; I50-D52 PolarHBondContact O-N 3.31Å; D52-R55 IonicContact OD1-NH2 2.73Å; D52-F56 VanDerWaalsContact O-CB 3.23Å; D52-F56 WeakPolarHBondContact O-CB 3.14Å; D52-F56 PolarHBondContact O-N 2.65Å
53V96.9Very high90.8Very high0 Ų048.2 Ų48.20%024%0.244CC..Hα-helixtrans-72.9-43.5179.1-174.90000111.3L23 M35 P38 N48 H49 I50 D51 F56 L57 F81L23-V53 HydrophobicContact CD2-CG2 3.94Å; M35-V53 HydrophobicContact CE-CG1 4.41Å; M35-V53 HydrophobicContact SD-CG1 3.98Å; P38-V53 HydrophobicContact CB-CB 4.42Å; P38-V53 HydrophobicContact CB-CG2 4.19Å; N48-V53 HydrophobicContact CB-CG2 3.69Å; H49-V53 PolarHBondContact O-N 3.15Å; I50-V53 PolarHBondContact O-N 3.04Å; I50-V53 VanDerWaalsContact O-N 3.1Å; D51-V53 VanDerWaalsContact C-N 3.31Å; D51-V53 PolarHBondContact O-N 3.35Å; V53-F56 PolarHBondContact O-N 3.42Å; V53-L57 HydrophobicContact CG1-CD1 4.05Å; V53-L57 HydrophobicContact CG1-CG 4.46Å; V53-L57 WeakPolarHBondContact O-CG 3.42Å; V53-L57 PolarHBondContact O-N 2.88Å; V53-F81 HydrophobicContact CG1-CE1 4.09Å; V53-F81 HydrophobicContact CG1-CZ 4.43Å
54V96.6Very high91.8Very high12 Ų1248.7 Ų48.77%0.07325%0.246CC..Hα-helixtrans-58.7-51.5173.9173.10000109.9I50 F56 L57 Q58 R80 F81I50-V54 HydrophobicContact CG1-CG2 4.23Å; I50-V54 WeakPolarHBondContact O-CG2 3.39Å; I50-V54 PolarHBondContact O-N 2.9Å; V54-F56 VanDerWaalsContact C-N 3.29Å; V54-F56 PolarHBondContact O-N 3.31Å; V54-L57 PolarHBondContact O-N 3.45Å; V54-Q58 HydrophobicContact CG1-CG 4.38Å; V54-Q58 WeakPolarHBondContact O-CB 3.2Å; V54-Q58 WeakPolarHBondContact O-CG 3.38Å; V54-Q58 PolarHBondContact O-N 3.47Å; V54-R80 WeakPolarHBondContact CG1-O 3.48Å; V54-R80 HydrophobicContact CG2-CB 4.31Å; V54-R80 WeakPolarHBondContact CG2-O 2.97Å; V54-F81 HydrophobicContact CB-CE1 4.43Å; V54-F81 HydrophobicContact CG2-CD1 3.67Å; V54-F81 HydrophobicContact CG2-CE1 3.47Å; V54-F81 VanDerWaalsContact CG2-CE1 3.47Å; V54-F81 HydrophobicContact CG2-CG 4.38Å; V54-F81 HydrophobicContact CG2-CZ 4.03Å
55R96.7Very high93.4Very high112 Ų11248.8 Ų48.842%0.42325%0.245SC..Hα-helixtrans-58.3-40.2177.2-176.1-179.565.2157.34.2112G20 F21 D51 D52 T59G20-R55 PolarHBondContact O-NH2 2.78Å; F21-R55 HydrophobicContact CE1-CB 4.14Å; F21-R55 HydrophobicContact CE1-CG 3.96Å; F21-R55 HydrophobicContact CZ-CG 4.04Å; D51-R55 WeakPolarHBondContact O-CB 3.2Å; D51-R55 PolarHBondContact O-N 3.38Å; D52-R55 IonicContact OD1-NH2 2.73Å; R55-T59 WeakPolarHBondContact O-CB 3.45Å; R55-T59 PolarHBondContact O-N 2.83Å; R55-T59 PolarHBondContact O-OG1 2.94Å
56F97.9Very high95.1Very high0 Ų046.1 Ų46.10%023%0.227CC..Hα-helixtrans-63.8-49.8177.4171.9-92.2000111.9F16 F21 L23 L25 Y27 I33 D52 V53 V54 T59 R60F16-F56 HydrophobicContact CD1-CD2 4.21Å; F16-F56 AromaticContact CD1-CE2 3.69Å; F16-F56 HydrophobicContact CD1-CE2 3.69Å; F16-F56 HydrophobicContact CD2-CE2 4.32Å; F16-F56 HydrophobicContact CE1-CD2 4.08Å; F16-F56 AromaticContact CE1-CE2 3.56Å; F16-F56 HydrophobicContact CE1-CE2 3.56Å; F16-F56 HydrophobicContact CE2-CE2 4.2Å; F16-F56 HydrophobicContact CG-CE2 4.08Å; F16-F56 AromaticContact CZ-CE2 3.83Å; F16-F56 HydrophobicContact CZ-CE2 3.83Å; F21-F56 HydrophobicContact CD1-CB 3.78Å; F21-F56 HydrophobicContact CD1-CD2 4.18Å; F21-F56 HydrophobicContact CD1-CG 4.48Å; F21-F56 HydrophobicContact CD2-CD2 4.19Å; F21-F56 VanDerWaalsContact CE1-CA 3.41Å; F21-F56 HydrophobicContact CE1-CB 3.54Å; F21-F56 HydrophobicContact CE1-CD2 4.43Å; F21-F56 HydrophobicContact CE1-CG 4.5Å; F21-F56 HydrophobicContact CE2-CD2 4.44Å; F21-F56 HydrophobicContact CG-CB 4.5Å; F21-F56 HydrophobicContact CG-CD2 4.06Å; F21-F56 HydrophobicContact CZ-CB 4.08Å; L23-F56 HydrophobicContact CD1-CB 3.8Å; L23-F56 HydrophobicContact CD1-CD1 4.48Å; L23-F56 HydrophobicContact CD1-CD2 4.06Å; L23-F56 HydrophobicContact CD1-CG 3.88Å; L25-F56 HydrophobicContact CD1-CD1 3.92Å; L25-F56 HydrophobicContact CD1-CE1 3.53Å; L25-F56 HydrophobicContact CD1-CZ 3.97Å; L25-F56 HydrophobicContact CD2-CE1 3.92Å; L25-F56 HydrophobicContact CD2-CE2 4.35Å; L25-F56 HydrophobicContact CD2-CZ 3.56Å; L25-F56 HydrophobicContact CG-CE1 4.42Å; L25-F56 HydrophobicContact CG-CZ 4.46Å; Y27-F56 AromaticContact CE2-CZ 3.79Å; Y27-F56 HydrophobicContact CE2-CZ 3.79Å; Y27-F56 AromaticContact CZ-CZ 3.87Å; Y27-F56 VanDerWaalsContact OH-CZ 3.26Å; Y27-F56 WeakPolarHBondContact OH-CZ 3.17Å; I33-F56 HydrophobicContact CD1-CE1 4.11Å; D52-F56 VanDerWaalsContact O-CB 3.23Å; D52-F56 WeakPolarHBondContact O-CB 3.14Å; D52-F56 PolarHBondContact O-N 2.65Å; V53-F56 PolarHBondContact O-N 3.42Å; V54-F56 VanDerWaalsContact C-N 3.29Å; V54-F56 PolarHBondContact O-N 3.31Å; F56-T59 PolarHBondContact O-N 3.1Å; F56-R60 PolarHBondContact O-N 2.87Å
57L97.7Very high96Very high1 Ų142.4 Ų42.41%0.00521%0.212CC..Hα-helixtrans-66.9-40.3-179.3-68.7173.3000111.8V53 V54 H61 A62 Y65 I67 F81V53-L57 HydrophobicContact CG1-CD1 4.05Å; V53-L57 HydrophobicContact CG1-CG 4.46Å; V53-L57 WeakPolarHBondContact O-CG 3.42Å; V53-L57 PolarHBondContact O-N 2.88Å; V54-L57 PolarHBondContact O-N 3.45Å; L57-H61 CarbonylContact O-C 3.55Å; L57-H61 VanDerWaalsContact O-CA 3.27Å; L57-H61 WeakPolarHBondContact O-CA 3.22Å; L57-H61 WeakPolarHBondContact O-CB 3.47Å; L57-H61 PolarHBondContact O-N 2.88Å; L57-A62 PolarHBondContact O-N 3.01Å; L57-Y65 HydrophobicContact CB-CD1 3.85Å; L57-Y65 HydrophobicContact CB-CD2 4.27Å; L57-Y65 HydrophobicContact CB-CE1 3.78Å; L57-Y65 HydrophobicContact CB-CE2 4.2Å; L57-Y65 HydrophobicContact CB-CG 4.1Å; L57-Y65 HydrophobicContact CD1-CD2 3.85Å; L57-Y65 HydrophobicContact CD1-CE2 3.82Å; L57-Y65 HydrophobicContact CD1-CG 4.4Å; L57-Y65 HydrophobicContact CD2-CD2 4.42Å; L57-Y65 HydrophobicContact CD2-CG 4.25Å; L57-Y65 HydrophobicContact CG-CD2 4.41Å; L57-Y65 HydrophobicContact CG-CG 4.48Å; L57-I67 HydrophobicContact CD1-CD1 3.76Å; L57-I67 HydrophobicContact CD1-CG1 4.21Å; L57-F81 HydrophobicContact CD1-CD1 4.08Å; L57-F81 HydrophobicContact CD1-CE1 4.01Å
58Q96Very high96.5Very high82 Ų8241.3 Ų41.338%0.38321%0.208SC..Hα-helixtrans-64.7-45172.8-73.9175.5-23.400112.1V54 A62 D82V54-Q58 HydrophobicContact CG1-CG 4.38Å; V54-Q58 WeakPolarHBondContact O-CB 3.2Å; V54-Q58 WeakPolarHBondContact O-CG 3.38Å; V54-Q58 PolarHBondContact O-N 3.47Å; Q58-A62 WeakPolarHBondContact O-CB 3.45Å; Q58-A62 PolarHBondContact O-N 3.26Å; Q58-D82 WeakPolarHBondContact CG-OD2 3.39Å; Q58-D82 PolarHBondContact NE2-OD2 2.98Å
59T96.6Very high96.7Very high97 Ų9741.4 Ų41.460%0.59521%0.208SC*.Hα-helixtrans-69.9-37.5-175.7-62.40000112.6R55 F56R55-T59 WeakPolarHBondContact O-CB 3.45Å; R55-T59 PolarHBondContact O-N 2.83Å; R55-T59 PolarHBondContact O-OG1 2.94Å; F56-T59 PolarHBondContact O-N 3.1Å
60R96.8Very high96.9Very high88 Ų8838.6 Ų38.633%0.33220%0.195SC..Hα-helixtrans-101.1-25.7-175.9-74.8-172.3159.7-145.43.3115F16 D19 F56F16-R60 VanDerWaalsContact CZ-CZ 3.46Å; D19-R60 IonicContact OD2-CZ 2.7Å; D19-R60 IonicContact OD2-NE 3.99Å; D19-R60 PolarHBondContact OD2-NE 3.25Å; D19-R60 IonicContact OD2-NH2 3.15Å; D19-R60 PolarHBondContact OD2-NH2 2.83Å; F56-R60 PolarHBondContact O-N 2.87Å
61H97.4Very high96.8Very high29 Ų2938.9 Ų38.913%0.13420%0.198CC..Hα-helixtrans-138.430.2-171-58.3-61.7000114Y27 L57 N63 H64 Y65Y27-H61 AromaticContact CE1-NE2 3.66Å; Y27-H61 AromaticContact CZ-NE2 3.67Å; Y27-H61 PolarHBondContact OH-NE2 3.49Å; L57-H61 CarbonylContact O-C 3.55Å; L57-H61 VanDerWaalsContact O-CA 3.27Å; L57-H61 WeakPolarHBondContact O-CA 3.22Å; L57-H61 WeakPolarHBondContact O-CB 3.47Å; L57-H61 PolarHBondContact O-N 2.88Å; H61-N63 PolarHBondContact O-N 2.88Å; H61-H64 CarbonylContact O-C 3.19Å; H61-H64 WeakPolarHBondContact O-CA 3.44Å; H61-H64 PolarHBondContact O-N 3.4Å; H61-Y65 HydrophobicContact CB-CD1 4.39Å; H61-Y65 WeakPolarHBondContact O-CD1 3.1Å
62A96.3Very high96.4Very high50 Ų5038.1 Ų38.141%0.41319%0.193SC..THydrogen-bonded Turntrans-43.1125.8179.200000112.7L57 Q58 H64L57-A62 PolarHBondContact O-N 3.01Å; Q58-A62 WeakPolarHBondContact O-CB 3.45Å; Q58-A62 PolarHBondContact O-N 3.26Å; A62-H64 PolarHBondContact O-CD2 3.47Å; A62-H64 VanDerWaalsContact O-CD2 3.27Å; A62-H64 PolarHBondContact O-N 2.86Å; A62-H64 VanDerWaalsContact O-N 3.1Å
63N95.8Very high96Very high146 Ų14639.8 Ų39.878%0.78120%0.2SC*.THydrogen-bonded Turntrans61.16-178.1-48.7-47.1000116.4H61H61-N63 PolarHBondContact O-N 2.88Å
64H98.3Very high95.6Very high44 Ų4443 Ų4320%0.20421%0.212CC..  trans-125.424.5-175.2-70.6-65.9000113H61 A62 D115 K117 N118 V119H61-H64 CarbonylContact O-C 3.19Å; H61-H64 WeakPolarHBondContact O-CA 3.44Å; H61-H64 PolarHBondContact O-N 3.4Å; A62-H64 PolarHBondContact O-CD2 3.47Å; A62-H64 VanDerWaalsContact O-CD2 3.27Å; A62-H64 PolarHBondContact O-N 2.86Å; A62-H64 VanDerWaalsContact O-N 3.1Å; H64-D115 IonicContact CE1-OD2 2.73Å; H64-D115 PolarHBondContact CE1-OD2 3.35Å; H64-D115 VanDerWaalsContact CE1-OD2 3.25Å; H64-D115 IonicContact ND1-OD2 2.6Å; H64-K117 HydrophobicContact CB-CB 4.36Å; H64-N118 PolarHBondContact ND1-OD1 3.41Å; H64-N118 VanDerWaalsContact ND1-OD1 3.08Å; H64-N118 CarbonylContact O-C 3.49Å; H64-N118 WeakPolarHBondContact O-CA 3.24Å; H64-V119 PolarHBondContact O-N 2.96Å
65Y98.4Very high95.3Very high6 Ų646.6 Ų46.62%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-124.6148.9176.374.8-93.9000114.1L57 H61 I67 F81 D82 G83 V119L57-Y65 HydrophobicContact CB-CD1 3.85Å; L57-Y65 HydrophobicContact CB-CD2 4.27Å; L57-Y65 HydrophobicContact CB-CE1 3.78Å; L57-Y65 HydrophobicContact CB-CE2 4.2Å; L57-Y65 HydrophobicContact CB-CG 4.1Å; L57-Y65 HydrophobicContact CD1-CD2 3.85Å; L57-Y65 HydrophobicContact CD1-CE2 3.82Å; L57-Y65 HydrophobicContact CD1-CG 4.4Å; L57-Y65 HydrophobicContact CD2-CD2 4.42Å; L57-Y65 HydrophobicContact CD2-CG 4.25Å; L57-Y65 HydrophobicContact CG-CD2 4.41Å; L57-Y65 HydrophobicContact CG-CG 4.48Å; H61-Y65 HydrophobicContact CB-CD1 4.39Å; H61-Y65 WeakPolarHBondContact O-CD1 3.1Å; Y65-I67 HydrophobicContact CD2-CD1 4.46Å; Y65-I67 HydrophobicContact CD2-CG1 4.09Å; Y65-I67 HydrophobicContact CE2-CD1 4.15Å; Y65-I67 HydrophobicContact CE2-CG1 4.23Å; Y65-F81 HydrophobicContact CE2-CB 4.23Å; Y65-F81 HydrophobicContact CE2-CD1 4.33Å; Y65-D82 PolarHBondContact OH-N 3.37Å; Y65-G83 PolarHBondContact OH-N 2.85Å; Y65-G83 VanDerWaalsContact OH-N 3.15Å; Y65-V119 VanDerWaalsContact CA-O 3.28Å; Y65-V119 WeakPolarHBondContact CA-O 3.49Å
66K98.5Very high95Very high29 Ų2941.9 Ų41.913%0.12621%0.213CC..EExtended strand (participates in β ladder)trans-133.1138.2167.5179.3163.6174.5179.90110.5Y68 P84 D107 F111 V119 V120 A121K66-Y68 HydrophobicContact CB-CE2 4.15Å; K66-Y68 HydrophobicContact CD-CE2 4.06Å; K66-Y68 WeakPolarHBondContact CD-OH 3.46Å; K66-Y68 WeakPolarHBondContact CE-OH 3.17Å; K66-Y68 HydrophobicContact CG-CD2 4.38Å; K66-Y68 HydrophobicContact CG-CE2 3.68Å; K66-P84 WeakPolarHBondContact CA-O 3.48Å; K66-P84 HydrophobicContact CB-CG 3.99Å; K66-P84 HydrophobicContact CD-CB 4.28Å; K66-P84 HydrophobicContact CD-CG 3.92Å; K66-P84 HydrophobicContact CG-CB 4.27Å; K66-P84 HydrophobicContact CG-CG 3.86Å; K66-P84 WeakPolarHBondContact CG-O 3.48Å; K66-D107 WeakPolarHBondContact CE-OD1 3.4Å; K66-D107 IonicContact NZ-OD1 3.91Å; K66-D107 PolarHBondContact NZ-OD1 2.88Å; K66-D107 IonicContact NZ-OD2 2.7Å; K66-D107 PolarHBondContact NZ-OD2 3.14Å; K66-F111 HydrophobicContact CB-CD1 3.74Å; K66-F111 HydrophobicContact CB-CD2 4.16Å; K66-F111 HydrophobicContact CB-CE1 3.5Å; K66-F111 VanDerWaalsContact CB-CE1 3.5Å; K66-F111 HydrophobicContact CB-CE2 3.95Å; K66-F111 HydrophobicContact CB-CG 4.07Å; K66-F111 HydrophobicContact CB-CZ 3.62Å; K66-F111 HydrophobicContact CD-CB 4.4Å; K66-F111 HydrophobicContact CD-CD2 4.06Å; K66-F111 HydrophobicContact CD-CG 4.06Å; K66-V119 PolarHBondContact N-O 2.89Å; K66-V119 VanDerWaalsContact N-O 3.12Å; K66-V120 WeakPolarHBondContact O-CA 3.37Å; K66-A121 PolarHBondContact O-N 2.99Å
67I98.3Very high94.6Very high0 Ų046.4 Ų46.40%024%0.238CC..EExtended strand (participates in β ladder)trans-102.9137.1-179.2-56.1178.8000110.2M35 L57 Y65 F76 F81 P84 V85 A86 A121M35-I67 HydrophobicContact CE-CG2 4.03Å; L57-I67 HydrophobicContact CD1-CD1 3.76Å; L57-I67 HydrophobicContact CD1-CG1 4.21Å; Y65-I67 HydrophobicContact CD2-CD1 4.46Å; Y65-I67 HydrophobicContact CD2-CG1 4.09Å; Y65-I67 HydrophobicContact CE2-CD1 4.15Å; Y65-I67 HydrophobicContact CE2-CG1 4.23Å; I67-F76 HydrophobicContact CG2-CZ 4.34Å; I67-F81 HydrophobicContact CD1-CB 4.22Å; I67-F81 HydrophobicContact CD1-CD1 3.38Å; I67-F81 HydrophobicContact CD1-CD2 3.84Å; I67-F81 HydrophobicContact CD1-CE1 3.56Å; I67-F81 HydrophobicContact CD1-CE2 4Å; I67-F81 HydrophobicContact CD1-CG 3.53Å; I67-F81 HydrophobicContact CD1-CZ 3.86Å; I67-P84 PolarHBondContact N-O 3.03Å; I67-V85 HydrophobicContact CB-CG1 4.23Å; I67-V85 HydrophobicContact CB-CG2 4.22Å; I67-V85 HydrophobicContact CD1-CG2 4.42Å; I67-V85 HydrophobicContact CG2-CG1 4.26Å; I67-V85 CarbonylContact O-C 3.53Å; I67-V85 WeakPolarHBondContact O-CA 3.18Å; I67-A86 PolarHBondContact O-N 3.01Å; I67-A121 CarbonylContact C-O 3.58Å; I67-A121 WeakPolarHBondContact CA-O 3.47Å; I67-A121 HydrophobicContact CG1-CB 4.47Å
68Y98.2Very high94.4Very high0 Ų049 Ų490%025%0.253CS..EExtended strand (participates in β ladder)trans-119.5111174.6-63.8-99.3000109.6K66 A86 Y88 L104 D107 V108 V120 A121 I122 N123K66-Y68 HydrophobicContact CB-CE2 4.15Å; K66-Y68 HydrophobicContact CD-CE2 4.06Å; K66-Y68 WeakPolarHBondContact CD-OH 3.46Å; K66-Y68 WeakPolarHBondContact CE-OH 3.17Å; K66-Y68 HydrophobicContact CG-CD2 4.38Å; K66-Y68 HydrophobicContact CG-CE2 3.68Å; Y68-A86 WeakPolarHBondContact CA-O 3.16Å; Y68-A86 HydrophobicContact CD1-CB 4.07Å; Y68-A86 HydrophobicContact CE1-CB 4.21Å; Y68-Y88 HydrophobicContact CD1-CD2 4.04Å; Y68-Y88 AromaticContact CD1-CE2 3.73Å; Y68-Y88 HydrophobicContact CD1-CE2 3.73Å; Y68-Y88 HydrophobicContact CE1-CE2 4.1Å; Y68-L104 HydrophobicContact CD1-CD1 4.22Å; Y68-L104 HydrophobicContact CD1-CG 4.03Å; Y68-D107 HydrophobicContact CE1-CB 3.99Å; Y68-D107 PolarHBondContact OH-OD1 2.91Å; Y68-V108 HydrophobicContact CD1-CG2 4.24Å; Y68-V108 HydrophobicContact CD2-CG2 4.16Å; Y68-V108 HydrophobicContact CE1-CG2 3.78Å; Y68-V108 HydrophobicContact CE2-CG2 3.7Å; Y68-V108 HydrophobicContact CG-CG2 4.42Å; Y68-V108 VanDerWaalsContact CZ-CG2 3.48Å; Y68-V108 WeakPolarHBondContact OH-CA 3.44Å; Y68-V108 PolarHBondContact OH-N 3.3Å; Y68-V120 HydrophobicContact CD2-CB 4.07Å; Y68-V120 HydrophobicContact CD2-CG1 4.38Å; Y68-V120 HydrophobicContact CE2-CB 3.76Å; Y68-V120 HydrophobicContact CE2-CG1 3.57Å; Y68-A121 PolarHBondContact N-O 3.35Å; Y68-I122 HydrophobicContact CD2-CG1 4.37Å; Y68-I122 WeakPolarHBondContact O-CA 3.43Å; Y68-N123 PolarHBondContact O-N 3.24Å; Y68-N123 PolarHBondContact O-OD1 2.97Å
69H96.8Very high94.2Very high2 Ų250.2 Ų50.21%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-101.5126-174-170.536.1000112.2F37 C71 R74 F76 A86 K87 Y88 N123F37-H69 AromaticContact CD2-CE1 3.72Å; F37-H69 AromaticContact CE2-CE1 3.62Å; F37-H69 AromaticContact CE2-NE2 3.77Å; H69-C71 VanDerWaalsContact CE1-CB 3.44Å; H69-C71 WeakPolarHBondContact CE1-CB 3.36Å; H69-R74 PolarHBondContact NE2-O 3.43Å; H69-R74 VanDerWaalsContact NE2-O 3.14Å; H69-F76 HydrophobicContact CB-CE1 4.22Å; H69-F76 HydrophobicContact CB-CZ 4.24Å; H69-F76 AromaticContact CD2-CE1 3.62Å; H69-F76 AromaticContact CE1-CE1 3.82Å; H69-F76 AromaticContact CG-CE1 3.61Å; H69-F76 AromaticContact ND1-CE1 3.73Å; H69-F76 AromaticContact NE2-CD1 3.97Å; H69-F76 AromaticContact NE2-CE1 3.74Å; H69-A86 PolarHBondContact N-O 2.85Å; H69-K87 HydrophobicContact CB-CG 4.37Å; H69-K87 WeakPolarHBondContact O-CA 3.42Å; H69-Y88 PolarHBondContact O-N 3.21Å; H69-N123 WeakPolarHBondContact CA-OD1 3.14Å; H69-N123 PolarHBondContact ND1-ND2 3.22Å; H69-N123 PolarHBondContact ND1-OD1 2.94Å
70L96.3Very high94Very high0 Ų049.6 Ų49.60%026%0.257CS..  trans-109.9-1.1-169.9-51.5-178.5000115Y88 F90 L104 I122 N123 C124 R130 M134L70-Y88 WeakPolarHBondContact CA-O 3.18Å; L70-F90 HydrophobicContact CB-CD1 4.4Å; L70-F90 HydrophobicContact CB-CE1 4.05Å; L70-F90 HydrophobicContact CD1-CE1 4.11Å; L70-F90 HydrophobicContact CD2-CE1 4.3Å; L70-F90 HydrophobicContact CG-CE1 4.38Å; L70-F90 PolarHBondContact O-N 2.9Å; L70-F90 VanDerWaalsContact O-N 3.11Å; L70-L104 HydrophobicContact CD2-CD1 3.75Å; L70-I122 HydrophobicContact CD1-CG2 3.69Å; L70-I122 HydrophobicContact CD2-CG2 4.37Å; L70-I122 HydrophobicContact CG-CG2 4.08Å; L70-N123 WeakPolarHBondContact CB-O 3.2Å; L70-N123 PolarHBondContact N-O 2.83Å; L70-C124 HydrophobicContact CB-CB 4.13Å; L70-R130 PolarHBondContact O-NH1 3.23Å; L70-M134 HydrophobicContact CD1-CB 4.2Å; L70-M134 HydrophobicContact CD1-CG 3.83Å; L70-M134 HydrophobicContact CD2-CG 4.02Å
71C92.5Very high93.9Very high8 Ų846 Ų465%0.05424%0.244CC..  trans-77.3135.5178.4-70.10000111.3H69 E73 R74 P89 K125H69-C71 VanDerWaalsContact CE1-CB 3.44Å; H69-C71 WeakPolarHBondContact CE1-CB 3.36Å; C71-E73 VanDerWaalsContact CA-OE2 3.26Å; C71-E73 WeakPolarHBondContact CA-OE2 3.28Å; C71-E73 WeakPolarHBondContact CB-OE2 3.24Å; C71-E73 PolarHBondContact SG-OE1 2.84Å; C71-R74 HydrophobicContact CB-CB 4.28Å; C71-R74 VanDerWaalsContact CB-O 3.31Å; C71-R74 WeakPolarHBondContact CB-O 3.16Å; C71-P89 VanDerWaalsContact O-CB 3.31Å; C71-P89 WeakPolarHBondContact O-CB 3.42Å; C71-K125 PolarHBondContact SG-N 3.2Å
72D87Confident93.7Very high56 Ų5650.1 Ų50.130%0.29927%0.266SS..SBendtrans-90.9-28.1160.564.7-15.8000111P89 S91 F224D72-P89 HydrophobicContact CB-CB 4.02Å; D72-S91 WeakPolarHBondContact OD1-CA 3.42Å; D72-S91 WeakPolarHBondContact OD2-CA 3.34Å; D72-S91 VanDerWaalsContact OD2-CB 3.28Å; D72-S91 WeakPolarHBondContact OD2-CB 3.48Å; D72-S91 PolarHBondContact OD2-N 2.88Å; D72-S91 PolarHBondContact OD2-OG 2.81Å; D72-F224 HydrophobicContact CB-CE1 4.45Å
73E88.1Confident93.5Very high74 Ų7448.3 Ų48.335%0.34625%0.253SS..SBendtrans-86.3-16.5-168.977.6-74.2-173.900114.7C71 R130C71-E73 VanDerWaalsContact CA-OE2 3.26Å; C71-E73 WeakPolarHBondContact CA-OE2 3.28Å; C71-E73 WeakPolarHBondContact CB-OE2 3.24Å; C71-E73 PolarHBondContact SG-OE1 2.84Å; E73-R130 IonicContact OE1-CZ 2.77Å; E73-R130 IonicContact OE1-NH1 3.2Å; E73-R130 IonicContact OE1-NH2 3.66Å; E73-R130 PolarHBondContact OE1-NH2 3.29Å; E73-R130 IonicContact OE2-CZ 3.4Å; E73-R130 IonicContact OE2-NH1 2.67Å; E73-R130 PolarHBondContact OE2-NH1 2.94Å; E73-R130 IonicContact OE2-NH2 3.71Å; E73-R130 PolarHBondContact OE2-NH2 3.4Å
74R87.7Confident93.5Very high66 Ų6644.6 Ų44.625%0.24924%0.236CC..  trans-148.8150.6-170.2-78.4159-173.7-137.2-5.6110.3F37 E43 H69 C71F37-R74 HydrophobicContact CE2-CB 3.84Å; F37-R74 HydrophobicContact CZ-CB 3.89Å; E43-R74 IonicContact OE1-CZ 2.67Å; E43-R74 IonicContact OE1-NH1 3.39Å; E43-R74 PolarHBondContact OE1-NH1 2.98Å; E43-R74 IonicContact OE2-NH1 3.76Å; E43-R74 PolarHBondContact OE2-NH1 3.36Å; H69-R74 PolarHBondContact NE2-O 3.43Å; H69-R74 VanDerWaalsContact NE2-O 3.14Å; C71-R74 HydrophobicContact CB-CB 4.28Å; C71-R74 VanDerWaalsContact CB-O 3.31Å; C71-R74 WeakPolarHBondContact CB-O 3.16Å
75D90.3Very high93.4Very high88 Ų8844.2 Ų44.247%0.47124%0.237SC..  trans-147.4164.6-178.5-155.4-13000110.5K87D75-K87 VanDerWaalsContact OD1-CE 3.28Å; D75-K87 WeakPolarHBondContact OD1-CE 3.46Å; D75-K87 IonicContact OD1-NZ 3.44Å; D75-K87 PolarHBondContact OD1-NZ 2.95Å; D75-K87 IonicContact OD2-NZ 3.86Å; D75-K87 PolarHBondContact OD2-NZ 3.19Å
76F90.2Very high93.3Very high13 Ų1344.7 Ų44.76%0.05724%0.243CC..  trans-135.915917753.6-97.9000110.9F37 P38 I50 I67 H69 V78 F81 V85F37-F76 AromaticContact CE2-CD1 3.84Å; F37-F76 HydrophobicContact CE2-CD1 3.84Å; F37-F76 HydrophobicContact CZ-CD1 4.22Å; P38-F76 HydrophobicContact CG-CD1 3.63Å; P38-F76 HydrophobicContact CG-CE1 3.68Å; P38-F76 HydrophobicContact CG-CG 4.13Å; P38-F76 HydrophobicContact CG-CZ 4.21Å; I50-F76 HydrophobicContact CD1-CB 4.14Å; I50-F76 HydrophobicContact CD1-CD2 4.48Å; I67-F76 HydrophobicContact CG2-CZ 4.34Å; H69-F76 HydrophobicContact CB-CE1 4.22Å; H69-F76 HydrophobicContact CB-CZ 4.24Å; H69-F76 AromaticContact CD2-CE1 3.62Å; H69-F76 AromaticContact CE1-CE1 3.82Å; H69-F76 AromaticContact CG-CE1 3.61Å; H69-F76 AromaticContact ND1-CE1 3.73Å; H69-F76 AromaticContact NE2-CD1 3.97Å; H69-F76 AromaticContact NE2-CE1 3.74Å; F76-V78 HydrophobicContact CD2-CG1 4.49Å; F76-V78 HydrophobicContact CE2-CG1 4.26Å; F76-V78 PolarHBondContact O-N 2.9Å; F76-F81 HydrophobicContact CD2-CD2 4.26Å; F76-F81 AromaticContact CD2-CE2 3.69Å; F76-F81 HydrophobicContact CD2-CE2 3.69Å; F76-F81 AromaticContact CE2-CD2 3.89Å; F76-F81 HydrophobicContact CE2-CD2 3.89Å; F76-F81 AromaticContact CE2-CE2 3.48Å; F76-F81 HydrophobicContact CE2-CE2 3.48Å; F76-F81 VanDerWaalsContact CE2-CE2 3.48Å; F76-F81 HydrophobicContact CZ-CE2 4.29Å; F76-V85 HydrophobicContact CE2-CG1 4.04Å; F76-V85 HydrophobicContact CE2-CG2 4.44Å; F76-V85 HydrophobicContact CZ-CG1 3.99Å
77N90.5Very high93.1Very high96 Ų9646 Ų4651%0.51325%0.248SC..  trans-67.2105.4174.5-178.1-3.6000109.6C79 R80N77-C79 PolarHBondContact O-N 3.32Å; N77-C79 VanDerWaalsContact OD1-CB 3.31Å; N77-C79 WeakPolarHBondContact OD1-CB 3.29Å; N77-C79 PolarHBondContact OD1-N 3.17Å; N77-R80 HydrophobicContact CB-CG 4.1Å; N77-R80 WeakPolarHBondContact O-CB 3.42Å; N77-R80 VanDerWaalsContact O-CG 3.3Å; N77-R80 WeakPolarHBondContact O-CG 2.95Å; N77-R80 PolarHBondContact O-N 3.31Å; N77-R80 VanDerWaalsContact O-N 3.14Å
78V91.8Very high93Very high54 Ų5447.4 Ų47.433%0.32725%0.254SS..G310 helixtrans-60.5-28.7-178.6-61.20000112.8F76 R80 F81 V85F76-V78 HydrophobicContact CD2-CG1 4.49Å; F76-V78 HydrophobicContact CE2-CG1 4.26Å; F76-V78 PolarHBondContact O-N 2.9Å; V78-R80 PolarHBondContact O-N 3.11Å; V78-F81 PolarHBondContact O-N 3.08Å; V78-V85 HydrophobicContact CB-CB 4.23Å; V78-V85 HydrophobicContact CB-CG2 4.1Å; V78-V85 HydrophobicContact CG1-CB 4.01Å; V78-V85 HydrophobicContact CG1-CG1 3.99Å; V78-V85 HydrophobicContact CG1-CG2 4.28Å
79C92.5Very high92.7Very high109 Ų10948.1 Ų48.174%0.73626%0.258SS*.G310 helixtrans-68.61.3177.7-51.50000113.8N77 F81N77-C79 PolarHBondContact O-N 3.32Å; N77-C79 VanDerWaalsContact OD1-CB 3.31Å; N77-C79 WeakPolarHBondContact OD1-CB 3.29Å; N77-C79 PolarHBondContact OD1-N 3.17Å; C79-F81 VanDerWaalsContact C-N 3.3Å
80R93.2Very high92.5Very high84 Ų8448.6 Ų48.632%0.31726%0.26SS..G310 helixtrans-79.6-13.4169.1-63-66.8-69.4-84.32.1112.9I50 D51 V54 N77 V78I50-R80 HydrophobicContact CD1-CB 3.98Å; I50-R80 HydrophobicContact CD1-CG 4.11Å; I50-R80 HydrophobicContact CG1-CB 4.41Å; D51-R80 IonicContact OD1-CZ 3.81Å; D51-R80 IonicContact OD1-NH2 2.63Å; D51-R80 PolarHBondContact OD1-NH2 2.06Å; D51-R80 IonicContact OD2-CZ 4Å; D51-R80 IonicContact OD2-NH2 2.78Å; D51-R80 PolarHBondContact OD2-NH2 2.97Å; V54-R80 WeakPolarHBondContact CG1-O 3.48Å; V54-R80 HydrophobicContact CG2-CB 4.31Å; V54-R80 WeakPolarHBondContact CG2-O 2.97Å; N77-R80 HydrophobicContact CB-CG 4.1Å; N77-R80 WeakPolarHBondContact O-CB 3.42Å; N77-R80 VanDerWaalsContact O-CG 3.3Å; N77-R80 WeakPolarHBondContact O-CG 2.95Å; N77-R80 PolarHBondContact O-N 3.31Å; N77-R80 VanDerWaalsContact O-N 3.14Å; V78-R80 PolarHBondContact O-N 3.11Å
81F94.4Very high92.2Very high12 Ų1250.5 Ų50.55%0.05327%0.274CS..  trans-112.9131.7178.6-60.2-79.4000109.9P38 I50 V53 V54 L57 Y65 I67 F76 V78 C79 G83 V85P38-F81 HydrophobicContact CB-CZ 4.22Å; P38-F81 HydrophobicContact CG-CZ 4.35Å; I50-F81 HydrophobicContact CD1-CE2 3.96Å; I50-F81 HydrophobicContact CD1-CZ 4.17Å; I50-F81 HydrophobicContact CG1-CE2 4.23Å; I50-F81 HydrophobicContact CG1-CZ 3.93Å; V53-F81 HydrophobicContact CG1-CE1 4.09Å; V53-F81 HydrophobicContact CG1-CZ 4.43Å; V54-F81 HydrophobicContact CB-CE1 4.43Å; V54-F81 HydrophobicContact CG2-CD1 3.67Å; V54-F81 HydrophobicContact CG2-CE1 3.47Å; V54-F81 VanDerWaalsContact CG2-CE1 3.47Å; V54-F81 HydrophobicContact CG2-CG 4.38Å; V54-F81 HydrophobicContact CG2-CZ 4.03Å; L57-F81 HydrophobicContact CD1-CD1 4.08Å; L57-F81 HydrophobicContact CD1-CE1 4.01Å; Y65-F81 HydrophobicContact CE2-CB 4.23Å; Y65-F81 HydrophobicContact CE2-CD1 4.33Å; I67-F81 HydrophobicContact CD1-CB 4.22Å; I67-F81 HydrophobicContact CD1-CD1 3.38Å; I67-F81 HydrophobicContact CD1-CD2 3.84Å; I67-F81 HydrophobicContact CD1-CE1 3.56Å; I67-F81 HydrophobicContact CD1-CE2 4Å; I67-F81 HydrophobicContact CD1-CG 3.53Å; I67-F81 HydrophobicContact CD1-CZ 3.86Å; F76-F81 HydrophobicContact CD2-CD2 4.26Å; F76-F81 AromaticContact CD2-CE2 3.69Å; F76-F81 HydrophobicContact CD2-CE2 3.69Å; F76-F81 AromaticContact CE2-CD2 3.89Å; F76-F81 HydrophobicContact CE2-CD2 3.89Å; F76-F81 AromaticContact CE2-CE2 3.48Å; F76-F81 HydrophobicContact CE2-CE2 3.48Å; F76-F81 VanDerWaalsContact CE2-CE2 3.48Å; F76-F81 HydrophobicContact CZ-CE2 4.29Å; V78-F81 PolarHBondContact O-N 3.08Å; C79-F81 VanDerWaalsContact C-N 3.3Å; F81-G83 VanDerWaalsContact C-N 3.29Å; F81-V85 HydrophobicContact CB-CG2 4.31Å; F81-V85 HydrophobicContact CD2-CG2 4.25Å
82D92.9Very high92.1Very high115 Ų11552.1 Ų52.162%0.61528%0.282SS*.SBendtrans-71.5-28.1173.6-43.8-51000111.9Q58 Y65Q58-D82 WeakPolarHBondContact CG-OD2 3.39Å; Q58-D82 PolarHBondContact NE2-OD2 2.98Å; Y65-D82 PolarHBondContact OH-N 3.37Å
83G91.2Very high92.4Very high12 Ų1252.6 Ų52.612%0.12428%0.282CS..SBendtrans-83.4153.6177.900000112.6Y65 F81Y65-G83 PolarHBondContact OH-N 2.85Å; Y65-G83 VanDerWaalsContact OH-N 3.15Å; F81-G83 VanDerWaalsContact C-N 3.29Å
84P95.7Very high92.6Very high68 Ų6850 Ų5044%0.44227%0.27SS..  trans-59.5144.6-179.322.6-33.1000112.9K66 I67K66-P84 WeakPolarHBondContact CA-O 3.48Å; K66-P84 HydrophobicContact CB-CG 3.99Å; K66-P84 HydrophobicContact CD-CB 4.28Å; K66-P84 HydrophobicContact CD-CG 3.92Å; K66-P84 HydrophobicContact CG-CB 4.27Å; K66-P84 HydrophobicContact CG-CG 3.86Å; K66-P84 WeakPolarHBondContact CG-O 3.48Å; I67-P84 PolarHBondContact N-O 3.03Å
85V96.7Very high92.9Very high37 Ų3746.9 Ų46.922%0.22426%0.259CS..EExtended strand (participates in β ladder)trans-120.1119.1173.5-172.40000109.1I67 F76 V78 F81I67-V85 HydrophobicContact CB-CG1 4.23Å; I67-V85 HydrophobicContact CB-CG2 4.22Å; I67-V85 HydrophobicContact CD1-CG2 4.42Å; I67-V85 HydrophobicContact CG2-CG1 4.26Å; I67-V85 CarbonylContact O-C 3.53Å; I67-V85 WeakPolarHBondContact O-CA 3.18Å; F76-V85 HydrophobicContact CE2-CG1 4.04Å; F76-V85 HydrophobicContact CE2-CG2 4.44Å; F76-V85 HydrophobicContact CZ-CG1 3.99Å; V78-V85 HydrophobicContact CB-CB 4.23Å; V78-V85 HydrophobicContact CB-CG2 4.1Å; V78-V85 HydrophobicContact CG1-CB 4.01Å; V78-V85 HydrophobicContact CG1-CG1 3.99Å; V78-V85 HydrophobicContact CG1-CG2 4.28Å; F81-V85 HydrophobicContact CB-CG2 4.31Å; F81-V85 HydrophobicContact CD2-CG2 4.25Å
86A96.4Very high93.1Very high16 Ų1642.8 Ų42.813%0.13224%0.237CC..EExtended strand (participates in β ladder)trans-103.7148.5172.300000110.6I67 Y68 H69 Y88I67-A86 PolarHBondContact O-N 3.01Å; Y68-A86 WeakPolarHBondContact CA-O 3.16Å; Y68-A86 HydrophobicContact CD1-CB 4.07Å; Y68-A86 HydrophobicContact CE1-CB 4.21Å; H69-A86 PolarHBondContact N-O 2.85Å; A86-Y88 HydrophobicContact CB-CD2 4.37Å; A86-Y88 HydrophobicContact CB-CE2 3.83Å
87K95.1Very high93.3Very high56 Ų5643.1 Ų43.124%0.24324%0.239CC..EExtended strand (participates in β ladder)trans-119123.5-177.6-68.2-178.1175.1177.80110.6H69 D75 P89H69-K87 HydrophobicContact CB-CG 4.37Å; H69-K87 WeakPolarHBondContact O-CA 3.42Å; D75-K87 VanDerWaalsContact OD1-CE 3.28Å; D75-K87 WeakPolarHBondContact OD1-CE 3.46Å; D75-K87 IonicContact OD1-NZ 3.44Å; D75-K87 PolarHBondContact OD1-NZ 2.95Å; D75-K87 IonicContact OD2-NZ 3.86Å; D75-K87 PolarHBondContact OD2-NZ 3.19Å; K87-P89 VanDerWaalsContact C-CD 3.49Å
88Y94.6Very high93.6Very high30 Ų3038.5 Ų38.512%0.11821%0.214CC..  trans-129.566.1175.5-67.3-95.5000108.7Y68 H69 L70 A86 A103 L104 D107Y68-Y88 HydrophobicContact CD1-CD2 4.04Å; Y68-Y88 AromaticContact CD1-CE2 3.73Å; Y68-Y88 HydrophobicContact CD1-CE2 3.73Å; Y68-Y88 HydrophobicContact CE1-CE2 4.1Å; H69-Y88 PolarHBondContact O-N 3.21Å; L70-Y88 WeakPolarHBondContact CA-O 3.18Å; A86-Y88 HydrophobicContact CB-CD2 4.37Å; A86-Y88 HydrophobicContact CB-CE2 3.83Å; Y88-A103 HydrophobicContact CE1-CB 3.9Å; Y88-A103 PolarHBondContact OH-O 3.1Å; Y88-L104 HydrophobicContact CD1-CB 3.88Å; Y88-L104 HydrophobicContact CD1-CD1 4.49Å; Y88-L104 HydrophobicContact CD2-CB 4.31Å; Y88-L104 HydrophobicContact CD2-CD1 3.86Å; Y88-L104 HydrophobicContact CD2-CG 4.24Å; Y88-L104 HydrophobicContact CE1-CB 3.87Å; Y88-L104 HydrophobicContact CE2-CB 4.3Å; Y88-L104 HydrophobicContact CE2-CD1 4.45Å; Y88-L104 HydrophobicContact CE2-CG 4.36Å; Y88-L104 HydrophobicContact CG-CB 4.1Å; Y88-L104 HydrophobicContact CG-CD1 3.87Å; Y88-L104 HydrophobicContact CG-CG 4.38Å; Y88-D107 WeakPolarHBondContact OH-CB 3.26Å; Y88-D107 PolarHBondContact OH-OD2 3.13Å
89P92.3Very high93.7Very high14 Ų1438.3 Ų38.39%0.09121%0.21CC..  trans-70136.6-169.930.1-36.5000111.9C71 D72 K87 Q100 V223 I396C71-P89 VanDerWaalsContact O-CB 3.31Å; C71-P89 WeakPolarHBondContact O-CB 3.42Å; D72-P89 HydrophobicContact CB-CB 4.02Å; K87-P89 VanDerWaalsContact C-CD 3.49Å; P89-Q100 PolarHBondContact O-NE2 3.44Å; P89-V223 HydrophobicContact CG-CG1 4.41Å; P89-I396 HydrophobicContact CG-CG2 4.26Å
90F92.4Very high93.8Very high12 Ų1234.2 Ų34.25%0.05318%0.18CC..  trans-152.6148.616566-76.6000111.8L70 P96 R130 M134L70-F90 HydrophobicContact CB-CD1 4.4Å; L70-F90 HydrophobicContact CB-CE1 4.05Å; L70-F90 HydrophobicContact CD1-CE1 4.11Å; L70-F90 HydrophobicContact CD2-CE1 4.3Å; L70-F90 HydrophobicContact CG-CE1 4.38Å; L70-F90 PolarHBondContact O-N 2.9Å; L70-F90 VanDerWaalsContact O-N 3.11Å; F90-P96 HydrophobicContact CB-CB 4.32Å; F90-P96 HydrophobicContact CD1-CB 3.87Å; F90-P96 HydrophobicContact CD2-CB 3.77Å; F90-P96 HydrophobicContact CD2-CG 4.49Å; F90-P96 HydrophobicContact CE1-CB 3.98Å; F90-P96 HydrophobicContact CE2-CB 3.86Å; F90-P96 HydrophobicContact CE2-CG 4.14Å; F90-P96 HydrophobicContact CG-CB 3.76Å; F90-P96 HydrophobicContact CZ-CB 3.96Å; F90-P96 HydrophobicContact CZ-CG 4.17Å; F90-R130 HydrophobicContact CD2-CG 4.11Å; F90-R130 HydrophobicContact CE1-CB 4.21Å; F90-R130 HydrophobicContact CE2-CB 3.88Å; F90-R130 HydrophobicContact CE2-CG 3.5Å; F90-R130 VanDerWaalsContact CE2-CG 3.5Å; F90-R130 HydrophobicContact CZ-CB 3.55Å; F90-R130 HydrophobicContact CZ-CG 3.74Å; F90-R130 VanDerWaalsContact O-CD 3.24Å; F90-R130 WeakPolarHBondContact O-CD 3.49Å; F90-R130 PolarHBondContact O-NH1 2.88Å; F90-M134 HydrophobicContact CD1-CE 4.17Å; F90-M134 HydrophobicContact CE1-CE 3.65Å; F90-M134 HydrophobicContact CE1-CG 4.24Å; F90-M134 HydrophobicContact CZ-CE 4.27Å
91S91.8Very high94.1Very high40 Ų4030.2 Ų30.228%0.2817%0.165SC..  trans-62.8144.3-168.5-47.10000113.7D72 N94D72-S91 WeakPolarHBondContact OD1-CA 3.42Å; D72-S91 WeakPolarHBondContact OD2-CA 3.34Å; D72-S91 VanDerWaalsContact OD2-CB 3.28Å; D72-S91 WeakPolarHBondContact OD2-CB 3.48Å; D72-S91 PolarHBondContact OD2-N 2.88Å; D72-S91 PolarHBondContact OD2-OG 2.81Å; S91-N94 PolarHBondContact O-N 2.9Å
92D90.3Very high94.2Very high43 Ų4330.9 Ų30.923%0.2317%0.169CC..THydrogen-bonded Turntrans-58.6146.6-176.4-147.815.9000112.7N94 R130D92-N94 PolarHBondContact O-N 2.81Å; D92-N94 PolarHBondContact O-ND2 3.36Å; D92-R130 IonicContact OD1-CZ 2.93Å; D92-R130 IonicContact OD1-NE 2.8Å; D92-R130 PolarHBondContact OD1-NE 3.36Å; D92-R130 IonicContact OD1-NH2 2.93Å; D92-R130 PolarHBondContact OD1-NH2 3.08Å; D92-R130 IonicContact OD2-NH2 2.8Å
93H92Very high94.4Very high65 Ų6526.2 Ų26.230%0.30115%0.146SC..THydrogen-bonded Turntrans58.311.5-177.5-49.989.3000116.6I168H93-I168 HydrophobicContact CB-CD1 3.85Å
94N93.6Very high94.7Very high19 Ų1925.7 Ų25.710%0.10214%0.14CC..SBendtrans-106.4170.6173.9-68-88000111.7S91 D92 Q171 R256 W274S91-N94 PolarHBondContact O-N 2.9Å; D92-N94 PolarHBondContact O-N 2.81Å; D92-N94 PolarHBondContact O-ND2 3.36Å; N94-Q171 WeakPolarHBondContact O-CG 3.49Å; N94-Q171 PolarHBondContact O-NE2 2.97Å; N94-R256 PolarHBondContact OD1-NH1 3.45Å; N94-W274 HydrophobicContact CB-CZ2 4.11Å; N94-W274 PolarHBondContact OD1-NE1 3.46Å
95A93.8Very high94.9Very high2 Ų222.5 Ų22.52%0.01712%0.12CC..PPolyproline II helixtrans-79.5151.3163.300000109.9Y174 W274A95-Y174 HydrophobicContact CB-CD1 3.93Å; A95-Y174 HydrophobicContact CB-CD2 3.69Å; A95-Y174 HydrophobicContact CB-CE1 4.01Å; A95-Y174 HydrophobicContact CB-CE2 3.8Å; A95-Y174 HydrophobicContact CB-CG 3.77Å; A95-W274 HydrophobicContact CB-CB 4.13Å; A95-W274 HydrophobicContact CB-CD2 4.46Å; A95-W274 HydrophobicContact CB-CG 4.01Å
96P94.4Very high94.9Very high1 Ų124.6 Ų24.61%0.00613%0.127CC..PPolyproline II helixtrans-73.9169.6170.534.3-36.3000110.8F90 Q100 I101 V133 M134 Y174F90-P96 HydrophobicContact CB-CB 4.32Å; F90-P96 HydrophobicContact CD1-CB 3.87Å; F90-P96 HydrophobicContact CD2-CB 3.77Å; F90-P96 HydrophobicContact CD2-CG 4.49Å; F90-P96 HydrophobicContact CE1-CB 3.98Å; F90-P96 HydrophobicContact CE2-CB 3.86Å; F90-P96 HydrophobicContact CE2-CG 4.14Å; F90-P96 HydrophobicContact CG-CB 3.76Å; F90-P96 HydrophobicContact CZ-CB 3.96Å; F90-P96 HydrophobicContact CZ-CG 4.17Å; P96-Q100 HydrophobicContact CB-CB 4.44Å; P96-I101 HydrophobicContact CB-CG1 4.45Å; P96-I101 HydrophobicContact CG-CD1 3.78Å; P96-I101 HydrophobicContact CG-CG1 3.59Å; P96-V133 HydrophobicContact CG-CG1 4.02Å; P96-M134 HydrophobicContact CB-CE 3.59Å; P96-M134 HydrophobicContact CG-CE 3.81Å; P96-Y174 WeakPolarHBondContact O-CD1 3.45Å; P96-Y174 WeakPolarHBondContact O-CE1 3.33Å
97Q94.7Very high95Very high20 Ų2025.8 Ų25.89%0.09313%0.131CC..PPolyproline II helixtrans-63.9145.2163.5-66.2-179.334.100109.7E99 Q100 I101 F218 V223 D254Q97-E99 VanDerWaalsContact C-N 3.29Å; Q97-E99 PolarHBondContact O-N 3.11Å; Q97-Q100 HydrophobicContact CB-CG 4.03Å; Q97-Q100 WeakPolarHBondContact O-CB 3.36Å; Q97-Q100 PolarHBondContact O-N 3.35Å; Q97-I101 PolarHBondContact O-N 3.36Å; Q97-F218 HydrophobicContact CG-CD1 4.13Å; Q97-F218 HydrophobicContact CG-CD2 3.63Å; Q97-F218 HydrophobicContact CG-CE1 4.04Å; Q97-F218 HydrophobicContact CG-CE2 3.51Å; Q97-F218 HydrophobicContact CG-CG 3.93Å; Q97-F218 HydrophobicContact CG-CZ 3.72Å; Q97-V223 PolarHBondContact NE2-O 2.86Å; Q97-D254 WeakPolarHBondContact CA-OD2 3.46Å; Q97-D254 WeakPolarHBondContact CB-OD2 3.48Å
98F95.9Very high95.2Very high0 Ų023.1 Ų23.10%012%0.12CC..Hα-helixtrans-64.2-36.3-176.5-168.8-103.4000112.1Q100 I101 I102 Y178 F181 Y188 D254 F279F98-Q100 VanDerWaalsContact C-N 3.26Å; F98-Q100 PolarHBondContact O-N 3.3Å; F98-I101 HydrophobicContact CD2-CD1 4.19Å; F98-I101 WeakPolarHBondContact O-CB 3.13Å; F98-I101 PolarHBondContact O-N 3.02Å; F98-I101 VanDerWaalsContact O-N 3.1Å; F98-I102 HydrophobicContact CD1-CD1 3.91Å; F98-I102 HydrophobicContact CD1-CG1 4.35Å; F98-I102 HydrophobicContact CE1-CD1 3.77Å; F98-I102 HydrophobicContact CE1-CG1 4.08Å; F98-I102 PolarHBondContact O-N 3.07Å; F98-Y178 HydrophobicContact CE2-CD2 4.13Å; F98-Y178 AromaticContact CZ-CD2 3.94Å; F98-Y178 HydrophobicContact CZ-CD2 3.94Å; F98-F181 HydrophobicContact CE1-CB 4.41Å; F98-F181 HydrophobicContact CE1-CD2 4.15Å; F98-F181 HydrophobicContact CE1-CG 4.22Å; F98-F181 HydrophobicContact CZ-CB 3.87Å; F98-F181 HydrophobicContact CZ-CD2 4.43Å; F98-F181 HydrophobicContact CZ-CG 4.06Å; F98-Y188 HydrophobicContact CB-CE2 4.23Å; F98-Y188 HydrophobicContact CD1-CD1 4.21Å; F98-Y188 AromaticContact CD1-CD2 3.4Å; F98-Y188 HydrophobicContact CD1-CD2 3.4Å; F98-Y188 HydrophobicContact CD1-CE1 4.35Å; F98-Y188 AromaticContact CD1-CE2 3.56Å; F98-Y188 HydrophobicContact CD1-CE2 3.56Å; F98-Y188 AromaticContact CD1-CG 3.72Å; F98-Y188 HydrophobicContact CD1-CG 3.72Å; F98-Y188 AromaticContact CE1-CD2 3.77Å; F98-Y188 HydrophobicContact CE1-CD2 3.77Å; F98-Y188 HydrophobicContact CE1-CE2 4.35Å; F98-Y188 HydrophobicContact CE1-CG 4.01Å; F98-Y188 HydrophobicContact CG-CD2 4.42Å; F98-Y188 HydrophobicContact CG-CE2 4.19Å; F98-D254 PolarHBondContact N-OD2 3.16Å; F98-F279 AromaticContact CD1-CE2 3.98Å; F98-F279 HydrophobicContact CD1-CE2 3.98Å; F98-F279 HydrophobicContact CD1-CZ 4.33Å; F98-F279 HydrophobicContact CD2-CE2 4.03Å; F98-F279 HydrophobicContact CD2-CZ 4.43Å; F98-F279 AromaticContact CE1-CE2 3.81Å; F98-F279 HydrophobicContact CE1-CE2 3.81Å; F98-F279 AromaticContact CE1-CZ 3.68Å; F98-F279 HydrophobicContact CE1-CZ 3.68Å; F98-F279 AromaticContact CE2-CE2 3.89Å; F98-F279 HydrophobicContact CE2-CE2 3.89Å; F98-F279 AromaticContact CE2-CZ 3.83Å; F98-F279 HydrophobicContact CE2-CZ 3.83Å; F98-F279 HydrophobicContact CG-CE2 4.08Å; F98-F279 AromaticContact CZ-CE2 3.78Å; F98-F279 HydrophobicContact CZ-CE2 3.78Å; F98-F279 AromaticContact CZ-CZ 3.42Å; F98-F279 HydrophobicContact CZ-CZ 3.42Å; F98-F279 VanDerWaalsContact CZ-CZ 3.42Å
99E94.6Very high95.4Very high50 Ų5024.3 Ų24.323%0.23413%0.128CC..Hα-helixtrans-59-34.2172.7-64.992.5141.800112.7Q97 I101 I102 A103 Y188 R190Q97-E99 VanDerWaalsContact C-N 3.29Å; Q97-E99 PolarHBondContact O-N 3.11Å; E99-I101 VanDerWaalsContact C-N 3.31Å; E99-I101 PolarHBondContact O-N 3.29Å; E99-I102 PolarHBondContact O-N 3.42Å; E99-A103 WeakPolarHBondContact O-CB 3.37Å; E99-A103 PolarHBondContact O-N 2.89Å; E99-Y188 HydrophobicContact CG-CD1 4.23Å; E99-Y188 HydrophobicContact CG-CE1 3.63Å; E99-Y188 PolarHBondContact OE2-OH 3.11Å; E99-R190 IonicContact OE1-CZ 3.99Å; E99-R190 VanDerWaalsContact OE1-CZ 3.27Å; E99-R190 IonicContact OE1-NE 2.73Å; E99-R190 PolarHBondContact OE1-NE 2.71Å; E99-R190 IonicContact OE1-NH2 2.86Å; E99-R190 PolarHBondContact OE1-NH2 3.26Å
100Q94.5Very high95.6Very high22 Ų2225.1 Ų25.110%0.10314%0.139CC..Hα-helixtrans-66.6-34.2176.8-68175.9-45.300111.6P89 P96 Q97 F98 L104 M134P89-Q100 PolarHBondContact O-NE2 3.44Å; P96-Q100 HydrophobicContact CB-CB 4.44Å; Q97-Q100 HydrophobicContact CB-CG 4.03Å; Q97-Q100 WeakPolarHBondContact O-CB 3.36Å; Q97-Q100 PolarHBondContact O-N 3.35Å; F98-Q100 VanDerWaalsContact C-N 3.26Å; F98-Q100 PolarHBondContact O-N 3.3Å; Q100-L104 VanDerWaalsContact O-CB 3.27Å; Q100-L104 WeakPolarHBondContact O-CB 3.39Å; Q100-L104 PolarHBondContact O-N 2.92Å; Q100-M134 HydrophobicContact CB-CE 4.17Å
101I98Very high95.9Very high1 Ų125.6 Ų25.61%0.00514%0.141CC..Hα-helixtrans-66.3-47175.4-52.6-178.9000109.9P96 Q97 F98 E99 C105 V133 M134 A137 Y174 Y178P96-I101 HydrophobicContact CB-CG1 4.45Å; P96-I101 HydrophobicContact CG-CD1 3.78Å; P96-I101 HydrophobicContact CG-CG1 3.59Å; Q97-I101 PolarHBondContact O-N 3.36Å; F98-I101 HydrophobicContact CD2-CD1 4.19Å; F98-I101 WeakPolarHBondContact O-CB 3.13Å; F98-I101 PolarHBondContact O-N 3.02Å; F98-I101 VanDerWaalsContact O-N 3.1Å; E99-I101 VanDerWaalsContact C-N 3.31Å; E99-I101 PolarHBondContact O-N 3.29Å; I101-C105 WeakPolarHBondContact O-CB 3.4Å; I101-C105 PolarHBondContact O-N 3.08Å; I101-C105 VanDerWaalsContact O-N 3.07Å; I101-C105 PolarHBondContact O-SG 3.17Å; I101-V133 HydrophobicContact CD1-CG1 4.19Å; I101-M134 HydrophobicContact CG1-CE 4.36Å; I101-M134 HydrophobicContact CG1-SD 4.19Å; I101-A137 HydrophobicContact CG2-CB 3.31Å; I101-Y174 HydrophobicContact CD1-CD1 4.07Å; I101-Y178 HydrophobicContact CB-CD2 4.18Å; I101-Y178 HydrophobicContact CB-CE2 4.43Å; I101-Y178 HydrophobicContact CG2-CD1 4.38Å; I101-Y178 HydrophobicContact CG2-CD2 3.44Å; I101-Y178 VanDerWaalsContact CG2-CD2 3.44Å; I101-Y178 HydrophobicContact CG2-CE2 3.76Å; I101-Y178 HydrophobicContact CG2-CG 3.78Å
102I97.6Very high96.3Very high25 Ų2523.9 Ų23.913%0.12813%0.129CC..Hα-helixtrans-56.3-55.9176.4-62.2171.3000110F98 E99 L104 C105 E106 Y178 F181 Y188F98-I102 HydrophobicContact CD1-CD1 3.91Å; F98-I102 HydrophobicContact CD1-CG1 4.35Å; F98-I102 HydrophobicContact CE1-CD1 3.77Å; F98-I102 HydrophobicContact CE1-CG1 4.08Å; F98-I102 PolarHBondContact O-N 3.07Å; E99-I102 PolarHBondContact O-N 3.42Å; I102-L104 PolarHBondContact O-N 2.83Å; I102-C105 PolarHBondContact O-N 2.86Å; I102-E106 WeakPolarHBondContact O-CG 3.48Å; I102-E106 PolarHBondContact O-N 2.83Å; I102-Y178 HydrophobicContact CG1-CE2 4.01Å; I102-F181 HydrophobicContact CD1-CE2 4.21Å; I102-F181 HydrophobicContact CD1-CZ 4.04Å; I102-F181 HydrophobicContact CG1-CE1 4.3Å; I102-F181 HydrophobicContact CG1-CZ 4.26Å; I102-Y188 HydrophobicContact CD1-CD1 4.15Å; I102-Y188 HydrophobicContact CD1-CG 4.16Å
103A96.9Very high96.6Very high18 Ų1826 Ų2615%0.14915%0.147CC..Hα-helixtrans-64.3-39.1-174.400000113.3Y88 E99 D107 A400Y88-A103 HydrophobicContact CE1-CB 3.9Å; Y88-A103 PolarHBondContact OH-O 3.1Å; E99-A103 WeakPolarHBondContact O-CB 3.37Å; E99-A103 PolarHBondContact O-N 2.89Å; A103-D107 WeakPolarHBondContact O-CB 3.43Å; A103-D107 PolarHBondContact O-N 3.28Å; A103-D107 VanDerWaalsContact O-N 3.1Å; A103-A400 HydrophobicContact CB-CB 4.07Å
104L98.1Very high96.9Very high0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-67.3-44.4176.4-177.4151.4000111.4Y68 L70 Y88 Q100 I102 E106 D107 V108 I122 M134 C138Y68-L104 HydrophobicContact CD1-CD1 4.22Å; Y68-L104 HydrophobicContact CD1-CG 4.03Å; L70-L104 HydrophobicContact CD2-CD1 3.75Å; Y88-L104 HydrophobicContact CD1-CB 3.88Å; Y88-L104 HydrophobicContact CD1-CD1 4.49Å; Y88-L104 HydrophobicContact CD2-CB 4.31Å; Y88-L104 HydrophobicContact CD2-CD1 3.86Å; Y88-L104 HydrophobicContact CD2-CG 4.24Å; Y88-L104 HydrophobicContact CE1-CB 3.87Å; Y88-L104 HydrophobicContact CE2-CB 4.3Å; Y88-L104 HydrophobicContact CE2-CD1 4.45Å; Y88-L104 HydrophobicContact CE2-CG 4.36Å; Y88-L104 HydrophobicContact CG-CB 4.1Å; Y88-L104 HydrophobicContact CG-CD1 3.87Å; Y88-L104 HydrophobicContact CG-CG 4.38Å; Q100-L104 VanDerWaalsContact O-CB 3.27Å; Q100-L104 WeakPolarHBondContact O-CB 3.39Å; Q100-L104 PolarHBondContact O-N 2.92Å; I102-L104 PolarHBondContact O-N 2.83Å; L104-E106 VanDerWaalsContact C-N 3.29Å; L104-E106 PolarHBondContact O-N 3.48Å; L104-D107 PolarHBondContact O-N 3.17Å; L104-V108 HydrophobicContact CD2-CG2 3.86Å; L104-V108 HydrophobicContact CG-CG2 4.45Å; L104-V108 WeakPolarHBondContact O-CB 3.21Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.16Å; L104-I122 HydrophobicContact CD2-CD1 4.3Å; L104-M134 HydrophobicContact CB-SD 4.39Å; L104-M134 HydrophobicContact CD1-CB 4.11Å; L104-M134 HydrophobicContact CD1-CE 4.46Å; L104-M134 HydrophobicContact CD1-CG 3.93Å; L104-M134 HydrophobicContact CD1-SD 4.01Å; L104-M134 HydrophobicContact CD2-CB 4.07Å; L104-M134 HydrophobicContact CD2-SD 4.42Å; L104-C138 VanDerWaalsContact CD2-SG 3.51Å
105C98.6Very high97.1Very high1 Ų131.4 Ų31.41%0.00717%0.173CC..Hα-helixtrans-66.8-32.2-179.2-66.80000112.4I101 I102 N109 A137 R141 Y178I101-C105 WeakPolarHBondContact O-CB 3.4Å; I101-C105 PolarHBondContact O-N 3.08Å; I101-C105 VanDerWaalsContact O-N 3.07Å; I101-C105 PolarHBondContact O-SG 3.17Å; I102-C105 PolarHBondContact O-N 2.86Å; C105-N109 WeakPolarHBondContact O-CB 3.49Å; C105-N109 PolarHBondContact O-N 2.97Å; C105-A137 VanDerWaalsContact SG-C 3.51Å; C105-A137 WeakPolarHBondContact SG-CB 3.17Å; C105-R141 HydrophobicContact CB-CB 4.16Å; C105-R141 HydrophobicContact CB-CG 4.17Å; C105-Y178 HydrophobicContact CB-CE1 4.34Å; C105-Y178 WeakPolarHBondContact CB-OH 3.36Å
106E97.9Very high97.3Very high81 Ų8136.7 Ų36.738%0.37921%0.207SC..Hα-helixtrans-71.8-41.5175.4-77174.6-177.600112.3I102 L104 G110 R141I102-E106 WeakPolarHBondContact O-CG 3.48Å; I102-E106 PolarHBondContact O-N 2.83Å; L104-E106 VanDerWaalsContact C-N 3.29Å; L104-E106 PolarHBondContact O-N 3.48Å; E106-G110 PolarHBondContact O-N 3.34Å; E106-R141 VanDerWaalsContact CG-NH1 3.31Å; E106-R141 IonicContact OE1-CZ 2.67Å; E106-R141 IonicContact OE1-NH1 3.15Å; E106-R141 PolarHBondContact OE1-NH1 3.35Å; E106-R141 VanDerWaalsContact OE1-NH1 3.17Å; E106-R141 IonicContact OE1-NH2 3.41Å; E106-R141 PolarHBondContact OE1-NH2 3.47Å
107D98.4Very high97.5Very high41 Ų4143.1 Ų43.122%0.21924%0.235CC..Hα-helixtrans-61.1-51.1171.1-176-22.3000110.8K66 Y68 Y88 A103 L104 N109 G110 F111K66-D107 WeakPolarHBondContact CE-OD1 3.4Å; K66-D107 IonicContact NZ-OD1 3.91Å; K66-D107 PolarHBondContact NZ-OD1 2.88Å; K66-D107 IonicContact NZ-OD2 2.7Å; K66-D107 PolarHBondContact NZ-OD2 3.14Å; Y68-D107 HydrophobicContact CE1-CB 3.99Å; Y68-D107 PolarHBondContact OH-OD1 2.91Å; Y88-D107 WeakPolarHBondContact OH-CB 3.26Å; Y88-D107 PolarHBondContact OH-OD2 3.13Å; A103-D107 WeakPolarHBondContact O-CB 3.43Å; A103-D107 PolarHBondContact O-N 3.28Å; A103-D107 VanDerWaalsContact O-N 3.1Å; L104-D107 PolarHBondContact O-N 3.17Å; D107-N109 PolarHBondContact O-N 2.94Å; D107-G110 PolarHBondContact O-N 2.83Å; D107-G110 VanDerWaalsContact O-N 3.14Å; D107-F111 PolarHBondContact O-N 2.84Å
108V98.7Very high97.7Very high0 Ų042.6 Ų42.60%023%0.233CC..Hα-helixtrans-56.5-48178166.60000111.5Y68 L104 G110 F111 L112 V120 C138 L142Y68-V108 HydrophobicContact CD1-CG2 4.24Å; Y68-V108 HydrophobicContact CD2-CG2 4.16Å; Y68-V108 HydrophobicContact CE1-CG2 3.78Å; Y68-V108 HydrophobicContact CE2-CG2 3.7Å; Y68-V108 HydrophobicContact CG-CG2 4.42Å; Y68-V108 VanDerWaalsContact CZ-CG2 3.48Å; Y68-V108 WeakPolarHBondContact OH-CA 3.44Å; Y68-V108 PolarHBondContact OH-N 3.3Å; L104-V108 HydrophobicContact CD2-CG2 3.86Å; L104-V108 HydrophobicContact CG-CG2 4.45Å; L104-V108 WeakPolarHBondContact O-CB 3.21Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.16Å; V108-G110 PolarHBondContact O-N 2.72Å; V108-F111 PolarHBondContact O-N 2.87Å; V108-L112 HydrophobicContact CG1-CD1 3.69Å; V108-L112 HydrophobicContact CG1-CG 4.29Å; V108-L112 VanDerWaalsContact O-CB 3.27Å; V108-L112 WeakPolarHBondContact O-CB 3.37Å; V108-L112 VanDerWaalsContact O-CG 3.25Å; V108-L112 WeakPolarHBondContact O-CG 3.37Å; V108-L112 PolarHBondContact O-N 3.31Å; V108-V120 HydrophobicContact CG1-CG1 4.2Å; V108-V120 HydrophobicContact CG1-CG2 4.01Å; V108-V120 HydrophobicContact CG2-CG1 4.34Å; V108-V120 HydrophobicContact CG2-CG2 4.46Å; V108-C138 HydrophobicContact CG1-CB 4.28Å; V108-L142 HydrophobicContact CG1-CD1 4.42Å
109N98.2Very high97.8Very high55 Ų5542.8 Ų42.829%0.29423%0.234SC..Hα-helixtrans-63.6-41.5177.6-175.852.7000111.9C105 D107 S113 R141 L142C105-N109 WeakPolarHBondContact O-CB 3.49Å; C105-N109 PolarHBondContact O-N 2.97Å; D107-N109 PolarHBondContact O-N 2.94Å; N109-S113 VanDerWaalsContact O-CB 3.28Å; N109-S113 WeakPolarHBondContact O-CB 3.38Å; N109-S113 PolarHBondContact O-N 3.31Å; N109-S113 PolarHBondContact O-OG 2.89Å; N109-R141 HydrophobicContact CB-CG 4.26Å; N109-L142 HydrophobicContact CB-CD2 4.41Å; N109-L142 WeakPolarHBondContact OD1-CD2 3.33Å
110G98.3Very high98Very high31 Ų3140.4 Ų40.432%0.3222%0.223SC..Hα-helixtrans-62.9-43.4176.800000113E106 D107 V108 Q114E106-G110 PolarHBondContact O-N 3.34Å; D107-G110 PolarHBondContact O-N 2.83Å; D107-G110 VanDerWaalsContact O-N 3.14Å; V108-G110 PolarHBondContact O-N 2.72Å; G110-Q114 WeakPolarHBondContact O-CG 3.41Å; G110-Q114 PolarHBondContact O-NE2 2.98Å; G110-Q114 VanDerWaalsContact O-NE2 3.15Å
111F98.5Very high98.2Very high23 Ų2339.4 Ų39.410%0.10122%0.219CC..Hα-helixtrans-70.3-44.1177.6179.7-103.5000112.5K66 D107 V108 S113 Q114 N118 V120K66-F111 HydrophobicContact CB-CD1 3.74Å; K66-F111 HydrophobicContact CB-CD2 4.16Å; K66-F111 HydrophobicContact CB-CE1 3.5Å; K66-F111 VanDerWaalsContact CB-CE1 3.5Å; K66-F111 HydrophobicContact CB-CE2 3.95Å; K66-F111 HydrophobicContact CB-CG 4.07Å; K66-F111 HydrophobicContact CB-CZ 3.62Å; K66-F111 HydrophobicContact CD-CB 4.4Å; K66-F111 HydrophobicContact CD-CD2 4.06Å; K66-F111 HydrophobicContact CD-CG 4.06Å; D107-F111 PolarHBondContact O-N 2.84Å; V108-F111 PolarHBondContact O-N 2.87Å; F111-S113 PolarHBondContact O-N 3.04Å; F111-Q114 PolarHBondContact O-N 2.92Å; F111-N118 HydrophobicContact CD1-CB 4.12Å; F111-N118 HydrophobicContact CE1-CB 3.67Å; F111-N118 HydrophobicContact CZ-CB 4.05Å; F111-N118 PolarHBondContact O-ND2 2.86Å; F111-V120 HydrophobicContact CD1-CG1 3.74Å; F111-V120 HydrophobicContact CE1-CG1 4.31Å
112L98.4Very high98.2Very high4 Ų439.4 Ų39.42%0.02122%0.219CC..Hα-helixtrans-69.8-14.6178.1-70.1-178.8000113.6R31 V108 N118 V120 L142R31-L112 HydrophobicContact CB-CD2 4.01Å; R31-L112 PolarHBondContact NH1-O 3.33Å; V108-L112 HydrophobicContact CG1-CD1 3.69Å; V108-L112 HydrophobicContact CG1-CG 4.29Å; V108-L112 VanDerWaalsContact O-CB 3.27Å; V108-L112 WeakPolarHBondContact O-CB 3.37Å; V108-L112 VanDerWaalsContact O-CG 3.25Å; V108-L112 WeakPolarHBondContact O-CG 3.37Å; V108-L112 PolarHBondContact O-N 3.31Å; L112-N118 HydrophobicContact CD2-CB 4.25Å; L112-N118 WeakPolarHBondContact CD2-O 3.47Å; L112-V120 HydrophobicContact CD1-CG1 4.38Å; L112-V120 HydrophobicContact CD1-CG2 4.36Å; L112-V120 HydrophobicContact CD2-CG1 3.94Å; L112-V120 HydrophobicContact CG-CG1 3.96Å; L112-L142 HydrophobicContact CD1-CD1 3.78Å; L112-L142 HydrophobicContact CD1-CD2 4.3Å
113S97.9Very high98.2Very high87 Ų8738.2 Ų38.261%0.60821%0.213SC*.THydrogen-bonded Turntrans-86.5-14.1175.2-63.60000113.6N109 F111N109-S113 VanDerWaalsContact O-CB 3.28Å; N109-S113 WeakPolarHBondContact O-CB 3.38Å; N109-S113 PolarHBondContact O-N 3.31Å; N109-S113 PolarHBondContact O-OG 2.89Å; F111-S113 PolarHBondContact O-N 3.04Å
114Q98.1Very high98Very high148 Ų14837.5 Ų37.569%0.69221%0.206SC*.THydrogen-bonded Turntrans-77.1-36.5-176.6-71.5164.434.300113.4G110 F111G110-Q114 WeakPolarHBondContact O-CG 3.41Å; G110-Q114 PolarHBondContact O-NE2 2.98Å; G110-Q114 VanDerWaalsContact O-NE2 3.15Å; F111-Q114 PolarHBondContact O-N 2.92Å
115D98.2Very high97.7Very high49 Ų4938.3 Ų38.326%0.26221%0.21SC..  trans-147.2134.5175-170.2-50.5000109.3H64 K117 N118H64-D115 IonicContact CE1-OD2 2.73Å; H64-D115 PolarHBondContact CE1-OD2 3.35Å; H64-D115 VanDerWaalsContact CE1-OD2 3.25Å; H64-D115 IonicContact ND1-OD2 2.6Å; D115-K117 PolarHBondContact O-N 2.85Å; D115-K117 VanDerWaalsContact O-N 3.14Å; D115-K117 VanDerWaalsContact OD1-CB 3.25Å; D115-K117 WeakPolarHBondContact OD1-CB 3.27Å; D115-K117 WeakPolarHBondContact OD1-CG 3.41Å; D115-K117 PolarHBondContact OD1-N 3.5Å; D115-N118 WeakPolarHBondContact O-CB 3.47Å; D115-N118 PolarHBondContact O-N 3.36Å
116P97.5Very high97.3Very high113 Ų11339.6 Ų39.673%0.73422%0.22SC*.THydrogen-bonded Turntrans-58.5-21.5175.824.8-36.1000114.5R31R31-P116 WeakPolarHBondContact CD-O 3.4Å
117K98Very high97Very high136 Ų13635.7 Ų35.759%0.59120%0.202SC*.THydrogen-bonded Turntrans-80.2-13.9174.7-62.5173.8180173.20113.9H64 D115H64-K117 HydrophobicContact CB-CB 4.36Å; D115-K117 PolarHBondContact O-N 2.85Å; D115-K117 VanDerWaalsContact O-N 3.14Å; D115-K117 VanDerWaalsContact OD1-CB 3.25Å; D115-K117 WeakPolarHBondContact OD1-CB 3.27Å; D115-K117 WeakPolarHBondContact OD1-CG 3.41Å; D115-K117 PolarHBondContact OD1-N 3.5Å
118N98.6Very high96.8Very high9 Ų934.7 Ų34.75%0.04820%0.196CC..  trans-63.2139.6-177-76.5-5.5000111.2R31 H64 F111 L112 D115R31-N118 WeakPolarHBondContact CD-O 3.4Å; H64-N118 PolarHBondContact ND1-OD1 3.41Å; H64-N118 VanDerWaalsContact ND1-OD1 3.08Å; H64-N118 CarbonylContact O-C 3.49Å; H64-N118 WeakPolarHBondContact O-CA 3.24Å; F111-N118 HydrophobicContact CD1-CB 4.12Å; F111-N118 HydrophobicContact CE1-CB 3.67Å; F111-N118 HydrophobicContact CZ-CB 4.05Å; F111-N118 PolarHBondContact O-ND2 2.86Å; L112-N118 HydrophobicContact CD2-CB 4.25Å; L112-N118 WeakPolarHBondContact CD2-O 3.47Å; D115-N118 WeakPolarHBondContact O-CB 3.47Å; D115-N118 PolarHBondContact O-N 3.36Å
119V98.6Very high96.7Very high5 Ų535.4 Ų35.43%0.0320%0.203CC..EExtended strand (participates in β ladder)trans-131139.2-179.1177.80000109.6R31 I33 H64 Y65 K66R31-V119 WeakPolarHBondContact O-CA 3.15Å; I33-V119 HydrophobicContact CD1-CG1 3.67Å; I33-V119 HydrophobicContact CG1-CG1 3.87Å; H64-V119 PolarHBondContact O-N 2.96Å; Y65-V119 VanDerWaalsContact CA-O 3.28Å; Y65-V119 WeakPolarHBondContact CA-O 3.49Å; K66-V119 PolarHBondContact N-O 2.89Å; K66-V119 VanDerWaalsContact N-O 3.12Å
120V98.7Very high96.6Very high0 Ų032.9 Ų32.90%019%0.19CC..EExtended strand (participates in β ladder)trans-105.1140.2174.2-60.10000111.1R31 I32 I33 K66 Y68 V108 F111 L112 I122R31-V120 PolarHBondContact O-N 2.97Å; I32-V120 HydrophobicContact CB-CG2 4.31Å; I32-V120 HydrophobicContact CG1-CG2 4Å; I32-V120 HydrophobicContact CG2-CG2 4.21Å; I33-V120 PolarHBondContact N-O 3.06Å; K66-V120 WeakPolarHBondContact O-CA 3.37Å; Y68-V120 HydrophobicContact CD2-CB 4.07Å; Y68-V120 HydrophobicContact CD2-CG1 4.38Å; Y68-V120 HydrophobicContact CE2-CB 3.76Å; Y68-V120 HydrophobicContact CE2-CG1 3.57Å; V108-V120 HydrophobicContact CG1-CG1 4.2Å; V108-V120 HydrophobicContact CG1-CG2 4.01Å; V108-V120 HydrophobicContact CG2-CG1 4.34Å; V108-V120 HydrophobicContact CG2-CG2 4.46Å; F111-V120 HydrophobicContact CD1-CG1 3.74Å; F111-V120 HydrophobicContact CE1-CG1 4.31Å; L112-V120 HydrophobicContact CD1-CG1 4.38Å; L112-V120 HydrophobicContact CD1-CG2 4.36Å; L112-V120 HydrophobicContact CD2-CG1 3.94Å; L112-V120 HydrophobicContact CG-CG1 3.96Å; V120-I122 HydrophobicContact CG2-CG1 4.5Å
121A98.5Very high96.6Very high1 Ų131.4 Ų31.41%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-118.9109.9174.800000110.3I33 M35 K66 I67 Y68I33-A121 HydrophobicContact CB-CB 4.18Å; I33-A121 HydrophobicContact CG2-CB 4.37Å; I33-A121 WeakPolarHBondContact O-CA 3.29Å; M35-A121 HydrophobicContact CE-CB 3.86Å; M35-A121 HydrophobicContact SD-CB 4.23Å; K66-A121 PolarHBondContact O-N 2.99Å; I67-A121 CarbonylContact C-O 3.58Å; I67-A121 WeakPolarHBondContact CA-O 3.47Å; I67-A121 HydrophobicContact CG1-CB 4.47Å; Y68-A121 PolarHBondContact N-O 3.35Å
122I98.5Very high96.6Very high0 Ų030.3 Ų30.30%017%0.17CC..EExtended strand (participates in β ladder)trans-102.9126.6-175.6-49.3-172000109.2I33 M35 Y68 L70 L104 V120 T131 M134 V135I33-I122 PolarHBondContact O-N 2.93Å; M35-I122 PolarHBondContact N-O 3.17Å; M35-I122 VanDerWaalsContact N-O 3.1Å; Y68-I122 HydrophobicContact CD2-CG1 4.37Å; Y68-I122 WeakPolarHBondContact O-CA 3.43Å; L70-I122 HydrophobicContact CD1-CG2 3.69Å; L70-I122 HydrophobicContact CD2-CG2 4.37Å; L70-I122 HydrophobicContact CG-CG2 4.08Å; L104-I122 HydrophobicContact CD2-CD1 4.3Å; V120-I122 HydrophobicContact CG2-CG1 4.5Å; I122-T131 HydrophobicContact CB-CG2 4.22Å; I122-T131 HydrophobicContact CG2-CG2 4.11Å; I122-T131 WeakPolarHBondContact O-CG2 3.4Å; I122-M134 HydrophobicContact CG2-CB 4.35Å; I122-V135 HydrophobicContact CB-CG2 4.21Å; I122-V135 HydrophobicContact CD1-CG2 3.92Å; I122-V135 HydrophobicContact CG1-CG2 4.42Å
123N96.7Very high96.6Very high0 Ų030.1 Ų30.10%017%0.169CC..EExtended strand (participates in β ladder)trans-136.7140.9-174.685-67.4000114.6M35 P38 Y68 H69 L70M35-N123 HydrophobicContact CE-CB 3.8Å; M35-N123 HydrophobicContact CG-CB 3.56Å; M35-N123 WeakPolarHBondContact O-CA 3.33Å; M35-N123 WeakPolarHBondContact O-CB 3.36Å; P38-N123 WeakPolarHBondContact CD-ND2 3.31Å; Y68-N123 PolarHBondContact O-N 3.24Å; Y68-N123 PolarHBondContact O-OD1 2.97Å; H69-N123 WeakPolarHBondContact CA-OD1 3.14Å; H69-N123 PolarHBondContact ND1-ND2 3.22Å; H69-N123 PolarHBondContact ND1-OD1 2.94Å; L70-N123 WeakPolarHBondContact CB-O 3.2Å; L70-N123 PolarHBondContact N-O 2.83Å
124C93.6Very high96.7Very high3 Ų326 Ų262%0.0214%0.14CC..  trans-126.1-163.5162.375.40000108.9G36 F37 L70 A126 G127 R130 T131G36-C124 CarbonylContact C-O 3.6Å; F37-C124 PolarHBondContact N-O 2.84Å; L70-C124 HydrophobicContact CB-CB 4.13Å; C124-A126 PolarHBondContact O-N 2.86Å; C124-G127 PolarHBondContact SG-N 2.71Å; C124-R130 HydrophobicContact CB-CB 3.96Å; C124-T131 PolarHBondContact N-OG1 3.34Å; C124-T131 PolarHBondContact SG-OG1 3.11Å; C124-T131 VanDerWaalsContact SG-OG1 3.4Å
125K91.4Very high96.7Very high18 Ų1819 Ų198%0.07811%0.107CC..SBendtrans-51.2-56.8176.4-165.2-178.8-176.1-163.30112.9F37 R47 C71 D492F37-K125 PolarHBondContact N-O 3.3Å; F37-K125 VanDerWaalsContact N-O 3.16Å; R47-K125 PolarHBondContact NH1-O 2.93Å; C71-K125 PolarHBondContact SG-N 3.2Å; K125-D492 WeakPolarHBondContact CE-OD2 3.44Å; K125-D492 IonicContact NZ-OD1 2.62Å; K125-D492 PolarHBondContact NZ-OD1 3.13Å; K125-D492 IonicContact NZ-OD2 3.67Å; K125-D492 PolarHBondContact NZ-OD2 2.98Å
126A90.6Very high96.7Very high27 Ų2716.6 Ų16.622%0.2239%0.094CC..SBendtrans-107.9-8.2-174.500000114.7K13 C124 K128 R159K13-A126 VanDerWaalsContact CD-O 3.3Å; K13-A126 WeakPolarHBondContact CD-O 3.16Å; K13-A126 PolarHBondContact NZ-O 2.93Å; C124-A126 PolarHBondContact O-N 2.86Å; A126-K128 VanDerWaalsContact C-N 3.26Å; A126-K128 HydrophobicContact CB-CB 4.5Å; A126-K128 PolarHBondContact O-N 2.89Å; A126-R159 PolarHBondContact O-NH2 3.37Å
127G92.2Very high96.8Very high0 Ų011.2 Ų11.20%06%0.059CC..SBendtrans63.127.5-174.900000114.4M35 C124 Y155 R159M35-G127 WeakPolarHBondContact O-CA 3.16Å; C124-G127 PolarHBondContact SG-N 2.71Å; G127-Y155 PolarHBondContact O-OH 3.17Å; G127-R159 PolarHBondContact O-NE 2.86Å; G127-R159 PolarHBondContact O-NH2 3.08Å
128K93.8Very high96.8Very high20 Ų204.8 Ų4.89%0.0873%0.032CC..SBendtrans-110.5-122.8-178.8-164.7-178.1176.1-167.10108.9A126 R130 T131 G132 Y155 K164 G165 D488 D489A126-K128 VanDerWaalsContact C-N 3.26Å; A126-K128 HydrophobicContact CB-CB 4.5Å; A126-K128 PolarHBondContact O-N 2.89Å; K128-R130 PolarHBondContact O-N 3.24Å; K128-T131 PolarHBondContact O-N 2.85Å; K128-T131 VanDerWaalsContact O-N 3.1Å; K128-G132 PolarHBondContact O-N 2.71Å; K128-Y155 WeakPolarHBondContact CA-OH 3.16Å; K128-Y155 PolarHBondContact O-OH 3.35Å; K128-K164 WeakPolarHBondContact CE-O 3.42Å; K128-G165 WeakPolarHBondContact CG-O 3.34Å; K128-D488 IonicContact NZ-OD2 2.92Å; K128-D488 PolarHBondContact NZ-OD2 2.73Å; K128-D489 IonicContact NZ-OD1 3.71Å
129G96.2Very high96.8Very high15 Ų154.4 Ų4.416%0.1553%0.029CC..Hα-helixtrans-36.4-65.7-173.800000116.8T131 G132 V133 Q171G129-T131 PolarHBondContact O-N 3.18Å; G129-G132 WeakPolarHBondContact O-CA 3.48Å; G129-G132 PolarHBondContact O-N 2.81Å; G129-V133 PolarHBondContact O-N 3.46Å; G129-Q171 VanDerWaalsContact CA-OE1 3.25Å
130R97Very high96.8Very high2 Ų24.4 Ų4.41%0.0083%0.029CC..Hα-helixtrans-55.5-48.3-179.4-70.4-170.3-83.3173.8-2.2113.4L70 E73 F90 D92 C124 K128 G132 V133L70-R130 PolarHBondContact O-NH1 3.23Å; E73-R130 IonicContact OE1-CZ 2.77Å; E73-R130 IonicContact OE1-NH1 3.2Å; E73-R130 IonicContact OE1-NH2 3.66Å; E73-R130 PolarHBondContact OE1-NH2 3.29Å; E73-R130 IonicContact OE2-CZ 3.4Å; E73-R130 IonicContact OE2-NH1 2.67Å; E73-R130 PolarHBondContact OE2-NH1 2.94Å; E73-R130 IonicContact OE2-NH2 3.71Å; E73-R130 PolarHBondContact OE2-NH2 3.4Å; F90-R130 HydrophobicContact CD2-CG 4.11Å; F90-R130 HydrophobicContact CE1-CB 4.21Å; F90-R130 HydrophobicContact CE2-CB 3.88Å; F90-R130 HydrophobicContact CE2-CG 3.5Å; F90-R130 VanDerWaalsContact CE2-CG 3.5Å; F90-R130 HydrophobicContact CZ-CB 3.55Å; F90-R130 HydrophobicContact CZ-CG 3.74Å; F90-R130 VanDerWaalsContact O-CD 3.24Å; F90-R130 WeakPolarHBondContact O-CD 3.49Å; F90-R130 PolarHBondContact O-NH1 2.88Å; D92-R130 IonicContact OD1-CZ 2.93Å; D92-R130 IonicContact OD1-NE 2.8Å; D92-R130 PolarHBondContact OD1-NE 3.36Å; D92-R130 IonicContact OD1-NH2 2.93Å; D92-R130 PolarHBondContact OD1-NH2 3.08Å; D92-R130 IonicContact OD2-NH2 2.8Å; C124-R130 HydrophobicContact CB-CB 3.96Å; K128-R130 PolarHBondContact O-N 3.24Å; R130-G132 VanDerWaalsContact C-N 3.3Å; R130-G132 PolarHBondContact O-N 3.35Å; R130-V133 PolarHBondContact O-N 3.35Å
131T98.2Very high96.8Very high0 Ų06.7 Ų6.70%04%0.038CC..Hα-helixtrans-61.8-40.1175.6-63.60000111.3A34 I122 C124 K128 G129 M134 V135A34-T131 HydrophobicContact CB-CG2 3.68Å; I122-T131 HydrophobicContact CB-CG2 4.22Å; I122-T131 HydrophobicContact CG2-CG2 4.11Å; I122-T131 WeakPolarHBondContact O-CG2 3.4Å; C124-T131 PolarHBondContact N-OG1 3.34Å; C124-T131 PolarHBondContact SG-OG1 3.11Å; C124-T131 VanDerWaalsContact SG-OG1 3.4Å; K128-T131 PolarHBondContact O-N 2.85Å; K128-T131 VanDerWaalsContact O-N 3.1Å; G129-T131 PolarHBondContact O-N 3.18Å; T131-M134 PolarHBondContact O-N 2.77Å; T131-V135 HydrophobicContact CG2-CG2 3.88Å; T131-V135 WeakPolarHBondContact O-CB 3.28Å; T131-V135 VanDerWaalsContact O-CG2 3.25Å; T131-V135 WeakPolarHBondContact O-CG2 3.4Å; T131-V135 PolarHBondContact O-N 2.98Å
132G98.4Very high96.7Very high0 Ų08.2 Ų8.20%05%0.046CC..Hα-helixtrans-62.7-40.1179.200000114K128 G129 R130 M134 V135 C136 Y155K128-G132 PolarHBondContact O-N 2.71Å; G129-G132 WeakPolarHBondContact O-CA 3.48Å; G129-G132 PolarHBondContact O-N 2.81Å; R130-G132 VanDerWaalsContact C-N 3.3Å; R130-G132 PolarHBondContact O-N 3.35Å; G132-M134 PolarHBondContact O-N 3.09Å; G132-V135 PolarHBondContact O-N 3.48Å; G132-C136 VanDerWaalsContact O-CB 3.24Å; G132-C136 WeakPolarHBondContact O-CB 3.07Å; G132-C136 PolarHBondContact O-N 2.67Å; G132-C136 PolarHBondContact O-SG 3.24Å; G132-Y155 PolarHBondContact N-OH 3.28Å
133V98.5Very high96.6Very high0 Ų015.6 Ų15.60%08%0.08CC..Hα-helixtrans-56.7-52.5174.5178.20000110.6P96 I101 G129 R130 C136 A137 V166 Q171 V175P96-V133 HydrophobicContact CG-CG1 4.02Å; I101-V133 HydrophobicContact CD1-CG1 4.19Å; G129-V133 PolarHBondContact O-N 3.46Å; R130-V133 PolarHBondContact O-N 3.35Å; V133-C136 PolarHBondContact O-N 2.97Å; V133-A137 PolarHBondContact O-N 3.14Å; V133-V166 HydrophobicContact CG2-CG1 4.27Å; V133-Q171 HydrophobicContact CG2-CB 3.51Å; V133-Q171 HydrophobicContact CG2-CG 3.88Å; V133-V175 HydrophobicContact CB-CG2 4.45Å; V133-V175 HydrophobicContact CG1-CG2 4.13Å
134M98.6Very high96.6Very high0 Ų019.7 Ų19.70%010%0.102CC..Hα-helixtrans-67.8-42.6-177.9-64.4-57.8-169.700112.1L70 F90 P96 Q100 I101 L104 I122 T131 G132 C136 A137 C138L70-M134 HydrophobicContact CD1-CB 4.2Å; L70-M134 HydrophobicContact CD1-CG 3.83Å; L70-M134 HydrophobicContact CD2-CG 4.02Å; F90-M134 HydrophobicContact CD1-CE 4.17Å; F90-M134 HydrophobicContact CE1-CE 3.65Å; F90-M134 HydrophobicContact CE1-CG 4.24Å; F90-M134 HydrophobicContact CZ-CE 4.27Å; P96-M134 HydrophobicContact CB-CE 3.59Å; P96-M134 HydrophobicContact CG-CE 3.81Å; Q100-M134 HydrophobicContact CB-CE 4.17Å; I101-M134 HydrophobicContact CG1-CE 4.36Å; I101-M134 HydrophobicContact CG1-SD 4.19Å; L104-M134 HydrophobicContact CB-SD 4.39Å; L104-M134 HydrophobicContact CD1-CB 4.11Å; L104-M134 HydrophobicContact CD1-CE 4.46Å; L104-M134 HydrophobicContact CD1-CG 3.93Å; L104-M134 HydrophobicContact CD1-SD 4.01Å; L104-M134 HydrophobicContact CD2-CB 4.07Å; L104-M134 HydrophobicContact CD2-SD 4.42Å; I122-M134 HydrophobicContact CG2-CB 4.35Å; T131-M134 PolarHBondContact O-N 2.77Å; G132-M134 PolarHBondContact O-N 3.09Å; M134-C136 PolarHBondContact O-N 3.41Å; M134-A137 PolarHBondContact O-N 3.19Å; M134-C138 PolarHBondContact O-N 3.27Å; M134-C138 PolarHBondContact O-SG 3.39Å
135V98.7Very high96.8Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-62-42.4175.71680000111.3I28 I32 A34 I122 T131 G132 C138 L139 Y155I28-V135 HydrophobicContact CB-CG1 4.19Å; I28-V135 HydrophobicContact CG1-CG1 4.17Å; I28-V135 HydrophobicContact CG2-CG1 3.83Å; I32-V135 HydrophobicContact CG2-CG1 4.07Å; I32-V135 HydrophobicContact CG2-CG2 4.06Å; A34-V135 HydrophobicContact CB-CG2 4.39Å; I122-V135 HydrophobicContact CB-CG2 4.21Å; I122-V135 HydrophobicContact CD1-CG2 3.92Å; I122-V135 HydrophobicContact CG1-CG2 4.42Å; T131-V135 HydrophobicContact CG2-CG2 3.88Å; T131-V135 WeakPolarHBondContact O-CB 3.28Å; T131-V135 VanDerWaalsContact O-CG2 3.25Å; T131-V135 WeakPolarHBondContact O-CG2 3.4Å; T131-V135 PolarHBondContact O-N 2.98Å; G132-V135 PolarHBondContact O-N 3.48Å; V135-C138 WeakPolarHBondContact O-CB 3.09Å; V135-C138 PolarHBondContact O-N 3.23Å; V135-L139 HydrophobicContact CG1-CD1 4.08Å; V135-L139 HydrophobicContact CG1-CG 4.4Å; V135-L139 WeakPolarHBondContact O-CG 3.49Å; V135-L139 PolarHBondContact O-N 3.16Å; V135-Y155 HydrophobicContact CB-CD2 4.07Å; V135-Y155 HydrophobicContact CB-CE2 4.22Å; V135-Y155 HydrophobicContact CG1-CD2 3.67Å; V135-Y155 HydrophobicContact CG1-CE2 4.2Å; V135-Y155 HydrophobicContact CG2-CE2 4.46Å
136C98.8Very high97Very high0 Ų026.1 Ų26.10%013%0.134CC..Hα-helixtrans-64.6-44.1178.1-690000111.9G132 V133 M134 C138 L139 L140 S151 Y155 V175G132-C136 VanDerWaalsContact O-CB 3.24Å; G132-C136 WeakPolarHBondContact O-CB 3.07Å; G132-C136 PolarHBondContact O-N 2.67Å; G132-C136 PolarHBondContact O-SG 3.24Å; V133-C136 PolarHBondContact O-N 2.97Å; M134-C136 PolarHBondContact O-N 3.41Å; C136-C138 VanDerWaalsContact C-N 3.3Å; C136-C138 PolarHBondContact O-N 2.71Å; C136-L139 PolarHBondContact O-N 3.36Å; C136-L140 WeakPolarHBondContact O-CG 3.38Å; C136-L140 PolarHBondContact O-N 2.93Å; C136-S151 WeakPolarHBondContact CA-OG 3.38Å; C136-S151 WeakPolarHBondContact CB-OG 3.4Å; C136-S151 PolarHBondContact O-OG 2.85Å; C136-S151 PolarHBondContact SG-O 3.11Å; C136-S151 VanDerWaalsContact SG-O 3.42Å; C136-Y155 VanDerWaalsContact SG-CB 3.58Å; C136-V175 HydrophobicContact CB-CB 4.47Å; C136-V175 HydrophobicContact CB-CG1 3.66Å; C136-V175 HydrophobicContact CB-CG2 3.89Å
137A98.8Very high97.3Very high0 Ų027.4 Ų27.40%014%0.137CC..Hα-helixtrans-60.7-38.5174.400000112.4I101 C105 V133 M134 L140 R141 Y178I101-A137 HydrophobicContact CG2-CB 3.31Å; C105-A137 VanDerWaalsContact SG-C 3.51Å; C105-A137 WeakPolarHBondContact SG-CB 3.17Å; V133-A137 PolarHBondContact O-N 3.14Å; M134-A137 PolarHBondContact O-N 3.19Å; A137-L140 PolarHBondContact O-N 3.22Å; A137-R141 WeakPolarHBondContact O-CB 3.35Å; A137-R141 PolarHBondContact O-N 2.9Å; A137-Y178 HydrophobicContact CB-CD1 3.66Å; A137-Y178 HydrophobicContact CB-CE1 3.99Å; A137-Y178 HydrophobicContact CB-CG 4.05Å; A137-Y178 WeakPolarHBondContact O-CE1 3.27Å
138C98.7Very high97.6Very high1 Ų127.4 Ų27.41%0.00714%0.137CC..Hα-helixtrans-63.7-45.8173-70.30000112.8I32 L104 V108 M134 V135 C136 L140 R141 L142I32-C138 HydrophobicContact CD1-CB 4.19Å; L104-C138 VanDerWaalsContact CD2-SG 3.51Å; V108-C138 HydrophobicContact CG1-CB 4.28Å; M134-C138 PolarHBondContact O-N 3.27Å; M134-C138 PolarHBondContact O-SG 3.39Å; V135-C138 WeakPolarHBondContact O-CB 3.09Å; V135-C138 PolarHBondContact O-N 3.23Å; C136-C138 VanDerWaalsContact C-N 3.3Å; C136-C138 PolarHBondContact O-N 2.71Å; C138-L140 VanDerWaalsContact C-N 3.28Å; C138-L140 PolarHBondContact O-N 3.18Å; C138-R141 PolarHBondContact O-N 3.16Å; C138-L142 WeakPolarHBondContact O-CB 3.46Å; C138-L142 WeakPolarHBondContact O-CD1 3.37Å; C138-L142 VanDerWaalsContact O-CG 3.24Å; C138-L142 WeakPolarHBondContact O-CG 3.35Å; C138-L142 PolarHBondContact O-N 2.84Å
139L98.6Very high97.8Very high0 Ų030.8 Ų30.80%015%0.153CC..Hα-helixtrans-58.5-41177.4-69.8167000111.3I28 I32 V135 C136 H143 D144 V145 F154I28-L139 HydrophobicContact CG2-CD1 4.08Å; I32-L139 HydrophobicContact CD1-CD2 3.92Å; I32-L139 HydrophobicContact CD1-CG 4.32Å; V135-L139 HydrophobicContact CG1-CD1 4.08Å; V135-L139 HydrophobicContact CG1-CG 4.4Å; V135-L139 WeakPolarHBondContact O-CG 3.49Å; V135-L139 PolarHBondContact O-N 3.16Å; C136-L139 PolarHBondContact O-N 3.36Å; L139-H143 PolarHBondContact O-N 3.2Å; L139-D144 HydrophobicContact CB-CB 4.35Å; L139-D144 HydrophobicContact CD2-CB 3.68Å; L139-D144 PolarHBondContact O-N 3.32Å; L139-V145 HydrophobicContact CB-CG1 4.49Å; L139-V145 HydrophobicContact CB-CG2 3.76Å; L139-F154 HydrophobicContact CD1-CD1 3.82Å; L139-F154 HydrophobicContact CD1-CE1 4.29Å; L139-F154 HydrophobicContact CD2-CE1 4.3Å
140L98.4Very high97.9Very high6 Ų634.2 Ų34.23%0.03117%0.165CC..Hα-helixtrans-64-48.6174.1-68.8165.9000112.4C136 A137 C138 L142 H143 V145 N147 V175 D179 L182C136-L140 WeakPolarHBondContact O-CG 3.38Å; C136-L140 PolarHBondContact O-N 2.93Å; A137-L140 PolarHBondContact O-N 3.22Å; C138-L140 VanDerWaalsContact C-N 3.28Å; C138-L140 PolarHBondContact O-N 3.18Å; L140-L142 VanDerWaalsContact C-N 3.27Å; L140-L142 PolarHBondContact O-N 3.13Å; L140-H143 PolarHBondContact O-N 3.49Å; L140-H143 VanDerWaalsContact O-N 3.16Å; L140-V145 HydrophobicContact CD2-CG2 3.99Å; L140-V145 HydrophobicContact CG-CG2 4.26Å; L140-N147 VanDerWaalsContact CD2-C 3.47Å; L140-V175 HydrophobicContact CD1-CG1 3.81Å; L140-D179 HydrophobicContact CD1-CB 3.95Å; L140-D179 HydrophobicContact CD2-CB 4.41Å; L140-L182 HydrophobicContact CB-CD1 3.87Å
141R98Very high98Very high48 Ų4834.1 Ų34.118%0.18117%0.165CC..Hα-helixtrans-62.3-33.6179.2176.264.581.2124.21112.5C105 E106 N109 A137 C138 H143 Y178 L182C105-R141 HydrophobicContact CB-CB 4.16Å; C105-R141 HydrophobicContact CB-CG 4.17Å; E106-R141 VanDerWaalsContact CG-NH1 3.31Å; E106-R141 IonicContact OE1-CZ 2.67Å; E106-R141 IonicContact OE1-NH1 3.15Å; E106-R141 PolarHBondContact OE1-NH1 3.35Å; E106-R141 VanDerWaalsContact OE1-NH1 3.17Å; E106-R141 IonicContact OE1-NH2 3.41Å; E106-R141 PolarHBondContact OE1-NH2 3.47Å; N109-R141 HydrophobicContact CB-CG 4.26Å; A137-R141 WeakPolarHBondContact O-CB 3.35Å; A137-R141 PolarHBondContact O-N 2.9Å; C138-R141 PolarHBondContact O-N 3.16Å; R141-H143 VanDerWaalsContact C-N 3.34Å; R141-Y178 HydrophobicContact CB-CE1 4.19Å; R141-Y178 PolarHBondContact NE-OH 3.44Å; R141-Y178 PolarHBondContact NH2-OH 3.04Å; R141-L182 HydrophobicContact CB-CD1 4.49Å
142L97.5Very high98Very high32 Ų3234.4 Ų34.417%0.16817%0.167CC..THydrogen-bonded Turntrans-85.9-6.2179.9-66.6164.8000113.2I32 V108 N109 L112 C138 L140 D144I32-L142 HydrophobicContact CD1-CD1 3.76Å; I32-L142 HydrophobicContact CG1-CD1 4.49Å; V108-L142 HydrophobicContact CG1-CD1 4.42Å; N109-L142 HydrophobicContact CB-CD2 4.41Å; N109-L142 WeakPolarHBondContact OD1-CD2 3.33Å; L112-L142 HydrophobicContact CD1-CD1 3.78Å; L112-L142 HydrophobicContact CD1-CD2 4.3Å; C138-L142 WeakPolarHBondContact O-CB 3.46Å; C138-L142 WeakPolarHBondContact O-CD1 3.37Å; C138-L142 VanDerWaalsContact O-CG 3.24Å; C138-L142 WeakPolarHBondContact O-CG 3.35Å; C138-L142 PolarHBondContact O-N 2.84Å; L140-L142 VanDerWaalsContact C-N 3.27Å; L140-L142 PolarHBondContact O-N 3.13Å; L142-D144 PolarHBondContact O-N 2.75Å
143H96.4Very high98Very high156 Ų15640.5 Ų40.572%0.72219%0.193SC*.THydrogen-bonded Turntrans5929.3-173.2-50-62000114.1L139 L140 R141 V145L139-H143 PolarHBondContact O-N 3.2Å; L140-H143 PolarHBondContact O-N 3.49Å; L140-H143 VanDerWaalsContact O-N 3.16Å; R141-H143 VanDerWaalsContact C-N 3.34Å; H143-V145 PolarHBondContact O-N 2.99Å
144D96.3Very high98Very high85 Ų8543.7 Ų43.746%0.45521%0.207SC..SBendtrans-70.8-19.7171.4-80-8.9000111.4S29 L139 L142S29-D144 PolarHBondContact OG-OD2 2.63Å; L139-D144 HydrophobicContact CB-CB 4.35Å; L139-D144 HydrophobicContact CD2-CB 3.68Å; L139-D144 PolarHBondContact O-N 3.32Å; L142-D144 PolarHBondContact O-N 2.75Å
145V97.4Very high97.9Very high11 Ų1143.7 Ų43.77%0.06721%0.207CC..SBendtrans-144.2157.8179.1-62.70000110.6L139 L140 H143 E150 F154L139-V145 HydrophobicContact CB-CG1 4.49Å; L139-V145 HydrophobicContact CB-CG2 3.76Å; L140-V145 HydrophobicContact CD2-CG2 3.99Å; L140-V145 HydrophobicContact CG-CG2 4.26Å; H143-V145 PolarHBondContact O-N 2.99Å; V145-E150 HydrophobicContact CB-CG 4.1Å; V145-E150 HydrophobicContact CG1-CG 4.21Å; V145-F154 HydrophobicContact CG1-CB 4.5Å
146M95.8Very high97.9Very high146 Ų14643.7 Ų43.772%0.71921%0.207SC*.SBendtrans-90.4-23.2-170.4-61.3-59-52.300115.4E150M146-E150 VanDerWaalsContact CB-OE2 3.24Å; M146-E150 WeakPolarHBondContact CB-OE2 3.43Å; M146-E150 PolarHBondContact N-OE2 2.96Å
147N97.9Very high97.8Very high54 Ų5448 Ų4829%0.28923%0.227SC..SBendtrans-162.3167-174.663.479.4000112.4L140 E149 E150 S151 D179L140-N147 VanDerWaalsContact CD2-C 3.47Å; N147-E149 PolarHBondContact O-N 2.87Å; N147-E149 PolarHBondContact OD1-N 2.92Å; N147-E149 VanDerWaalsContact OD1-N 3.11Å; N147-E150 PolarHBondContact O-N 2.87Å; N147-E150 PolarHBondContact OD1-N 2.87Å; N147-S151 PolarHBondContact O-N 2.88Å; N147-D179 WeakPolarHBondContact CA-OD2 3.34Å
148A98.1Very high97.8Very high0 Ų051.5 Ų51.50%024%0.244CC..Hα-helixtrans-57.1-41.1-176.700000113.8S151 L152 V175 H176 D179A148-S151 WeakPolarHBondContact O-CB 3.16Å; A148-S151 PolarHBondContact O-N 3.02Å; A148-L152 WeakPolarHBondContact O-CB 3.32Å; A148-L152 WeakPolarHBondContact O-CD1 3.3Å; A148-L152 WeakPolarHBondContact O-CG 3.32Å; A148-L152 PolarHBondContact O-N 2.95Å; A148-V175 HydrophobicContact CB-CG1 3.99Å; A148-H176 HydrophobicContact CB-CB 4.4Å; A148-D179 HydrophobicContact CB-CB 3.83Å; A148-D179 PolarHBondContact N-OD2 3.39Å
149E97.8Very high97.7Very high90 Ų9051.5 Ų51.542%0.42124%0.243SC..Hα-helixtrans-68.5-43-179.2-74.5-61.4167.200112.2N147 S151 L152 K153 R172 H176N147-E149 PolarHBondContact O-N 2.87Å; N147-E149 PolarHBondContact OD1-N 2.92Å; N147-E149 VanDerWaalsContact OD1-N 3.11Å; E149-S151 VanDerWaalsContact C-N 3.3Å; E149-S151 PolarHBondContact O-N 3.26Å; E149-L152 PolarHBondContact O-N 2.97Å; E149-K153 VanDerWaalsContact O-CB 3.22Å; E149-K153 WeakPolarHBondContact O-CB 3.16Å; E149-K153 PolarHBondContact O-N 2.88Å; E149-R172 IonicContact OE1-NH2 2.81Å; E149-R172 PolarHBondContact OE1-NH2 3.46Å; E149-R172 IonicContact OE2-CZ 3.51Å; E149-R172 IonicContact OE2-NH2 2.71Å; E149-R172 PolarHBondContact OE2-NH2 2.85Å; E149-H176 IonicContact OE1-CE1 2.76Å; E149-H176 PolarHBondContact OE1-CE1 2.87Å; E149-H176 VanDerWaalsContact OE1-CE1 3.28Å; E149-H176 IonicContact OE1-NE2 2.92Å; E149-H176 PolarHBondContact OE1-NE2 2.89Å
150E97.9Very high97.6Very high87 Ų8751.6 Ų51.641%0.40724%0.244SC..Hα-helixtrans-59.2-44.5172.2-175.8176.1-152.600110.8V145 M146 N147 K153 F154V145-E150 HydrophobicContact CB-CG 4.1Å; V145-E150 HydrophobicContact CG1-CG 4.21Å; M146-E150 VanDerWaalsContact CB-OE2 3.24Å; M146-E150 WeakPolarHBondContact CB-OE2 3.43Å; M146-E150 PolarHBondContact N-OE2 2.96Å; N147-E150 PolarHBondContact O-N 2.87Å; N147-E150 PolarHBondContact OD1-N 2.87Å; E150-K153 PolarHBondContact O-N 2.87Å; E150-F154 WeakPolarHBondContact O-CB 3.46Å; E150-F154 PolarHBondContact O-N 2.89Å
151S98.4Very high97.3Very high0 Ų056.4 Ų56.40%027%0.27CS..Hα-helixtrans-61-47.2177.4-166.60000113.1C136 N147 A148 E149 F154 Y155C136-S151 WeakPolarHBondContact CA-OG 3.38Å; C136-S151 WeakPolarHBondContact CB-OG 3.4Å; C136-S151 PolarHBondContact O-OG 2.85Å; C136-S151 PolarHBondContact SG-O 3.11Å; C136-S151 VanDerWaalsContact SG-O 3.42Å; N147-S151 PolarHBondContact O-N 2.88Å; A148-S151 WeakPolarHBondContact O-CB 3.16Å; A148-S151 PolarHBondContact O-N 3.02Å; E149-S151 VanDerWaalsContact C-N 3.3Å; E149-S151 PolarHBondContact O-N 3.26Å; S151-F154 PolarHBondContact O-N 2.73Å; S151-Y155 WeakPolarHBondContact O-CB 3.5Å; S151-Y155 PolarHBondContact O-N 2.94Å
152L98.5Very high97Very high6 Ų657 Ų573%0.03128%0.276CS..Hα-helixtrans-65.9-41.6-178.5-73.4163.1000111A148 E149 G156 V166 R172 V175A148-L152 WeakPolarHBondContact O-CB 3.32Å; A148-L152 WeakPolarHBondContact O-CD1 3.3Å; A148-L152 WeakPolarHBondContact O-CG 3.32Å; A148-L152 PolarHBondContact O-N 2.95Å; E149-L152 PolarHBondContact O-N 2.97Å; L152-G156 PolarHBondContact O-N 3.23Å; L152-V166 HydrophobicContact CD2-CB 3.74Å; L152-V166 HydrophobicContact CD2-CG1 4.1Å; L152-V166 HydrophobicContact CD2-CG2 4.1Å; L152-R172 HydrophobicContact CD1-CB 4.18Å; L152-R172 HydrophobicContact CD1-CG 4.31Å; L152-R172 HydrophobicContact CD2-CG 4.26Å; L152-V175 HydrophobicContact CD1-CB 4.41Å; L152-V175 HydrophobicContact CD1-CG1 4.44Å; L152-V175 HydrophobicContact CD2-CB 4.27Å; L152-V175 HydrophobicContact CD2-CG1 4.41Å; L152-V175 HydrophobicContact CD2-CG2 4.02Å; L152-V175 HydrophobicContact CG-CB 4.43Å; L152-V175 HydrophobicContact CG-CG1 4.19Å
153K98.1Very high96.9Very high129 Ų12957.1 Ų57.156%0.56129%0.286SS*.Hα-helixtrans-63.7-52.9174.1-179-172.4167.9-169.60111.2E149 E150 Y155 G156 E157E149-K153 VanDerWaalsContact O-CB 3.22Å; E149-K153 WeakPolarHBondContact O-CB 3.16Å; E149-K153 PolarHBondContact O-N 2.88Å; E150-K153 PolarHBondContact O-N 2.87Å; K153-Y155 PolarHBondContact O-N 2.87Å; K153-G156 WeakPolarHBondContact O-CA 3.33Å; K153-G156 PolarHBondContact O-N 2.76Å; K153-E157 WeakPolarHBondContact CE-OE1 3.47Å; K153-E157 WeakPolarHBondContact CE-OE2 3.46Å; K153-E157 HydrophobicContact CG-CG 4.4Å; K153-E157 IonicContact NZ-OE1 3.32Å; K153-E157 WeakPolarHBondContact O-CG 3.1Å; K153-E157 PolarHBondContact O-N 3.1Å
154F98.2Very high96.7Very high67 Ų6753 Ų5329%0.29427%0.266SS..Hα-helixtrans-58.7-46.1-178.8-179.9-100.4000111.5I28 L139 V145 E150 S151 G156 E157 Q158I28-F154 HydrophobicContact CG2-CD1 4.09Å; I28-F154 HydrophobicContact CG2-CE1 3.84Å; I28-F154 VanDerWaalsContact O-CE1 3.25Å; I28-F154 WeakPolarHBondContact O-CE1 2.82Å; I28-F154 VanDerWaalsContact O-CZ 3.25Å; I28-F154 WeakPolarHBondContact O-CZ 3.22Å; L139-F154 HydrophobicContact CD1-CD1 3.82Å; L139-F154 HydrophobicContact CD1-CE1 4.29Å; L139-F154 HydrophobicContact CD2-CE1 4.3Å; V145-F154 HydrophobicContact CG1-CB 4.5Å; E150-F154 WeakPolarHBondContact O-CB 3.46Å; E150-F154 PolarHBondContact O-N 2.89Å; S151-F154 PolarHBondContact O-N 2.73Å; F154-G156 VanDerWaalsContact C-N 3.34Å; F154-G156 PolarHBondContact O-N 2.56Å; F154-E157 PolarHBondContact O-N 3.32Å; F154-Q158 HydrophobicContact CD1-CG 4.24Å; F154-Q158 HydrophobicContact CD2-CG 4.17Å; F154-Q158 HydrophobicContact CE1-CG 3.99Å; F154-Q158 HydrophobicContact CE2-CG 3.9Å; F154-Q158 HydrophobicContact CG-CG 4.34Å; F154-Q158 HydrophobicContact CZ-CG 3.81Å; F154-Q158 VanDerWaalsContact O-CB 3.29Å; F154-Q158 WeakPolarHBondContact O-CB 3.3Å; F154-Q158 WeakPolarHBondContact O-CG 3.41Å; F154-Q158 PolarHBondContact O-N 2.76Å
155Y98.5Very high96.6Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-59.9-43.7173.6173.1-99.8000112.3I28 A34 G127 K128 G132 V135 C136 S151 K153 Q158 R159 V166I28-Y155 HydrophobicContact CD1-CD2 3.92Å; I28-Y155 HydrophobicContact CD1-CE2 4.02Å; I28-Y155 HydrophobicContact CG1-CD2 4.09Å; I28-Y155 HydrophobicContact CG1-CE2 4.25Å; I28-Y155 HydrophobicContact CG2-CD2 4.23Å; A34-Y155 HydrophobicContact CB-CE2 4.03Å; G127-Y155 PolarHBondContact O-OH 3.17Å; K128-Y155 WeakPolarHBondContact CA-OH 3.16Å; K128-Y155 PolarHBondContact O-OH 3.35Å; G132-Y155 PolarHBondContact N-OH 3.28Å; V135-Y155 HydrophobicContact CB-CD2 4.07Å; V135-Y155 HydrophobicContact CB-CE2 4.22Å; V135-Y155 HydrophobicContact CG1-CD2 3.67Å; V135-Y155 HydrophobicContact CG1-CE2 4.2Å; V135-Y155 HydrophobicContact CG2-CE2 4.46Å; C136-Y155 VanDerWaalsContact SG-CB 3.58Å; S151-Y155 WeakPolarHBondContact O-CB 3.5Å; S151-Y155 PolarHBondContact O-N 2.94Å; K153-Y155 PolarHBondContact O-N 2.87Å; Y155-Q158 PolarHBondContact O-N 2.89Å; Y155-R159 HydrophobicContact CD2-CB 4.38Å; Y155-R159 HydrophobicContact CE1-CB 4.32Å; Y155-R159 HydrophobicContact CE1-CG 4.47Å; Y155-R159 HydrophobicContact CE2-CB 3.97Å; Y155-R159 HydrophobicContact CE2-CG 4.1Å; Y155-R159 WeakPolarHBondContact O-CB 3.17Å; Y155-R159 PolarHBondContact O-N 2.85Å; Y155-V166 HydrophobicContact CD1-CG2 3.92Å; Y155-V166 HydrophobicContact CE1-CG2 3.95Å
156G97.7Very high96.6Very high0 Ų048.8 Ų48.80%024%0.244CC..Hα-helixtrans-57.9-52.1175.900000112.6L152 K153 F154 Q158 R159 T160 G163L152-G156 PolarHBondContact O-N 3.23Å; K153-G156 WeakPolarHBondContact O-CA 3.33Å; K153-G156 PolarHBondContact O-N 2.76Å; F154-G156 VanDerWaalsContact C-N 3.34Å; F154-G156 PolarHBondContact O-N 2.56Å; G156-Q158 PolarHBondContact O-N 2.85Å; G156-R159 PolarHBondContact O-N 3.34Å; G156-T160 PolarHBondContact O-N 3.29Å; G156-T160 PolarHBondContact O-OG1 3.08Å; G156-G163 WeakPolarHBondContact CA-O 3.46Å
157E97.3Very high96.6Very high89 Ų8943.4 Ų43.442%0.41622%0.219SC..Hα-helixtrans-63.7-36.8179.2-70.2175159.700112.4K14 K153 F154K14-E157 PolarHBondContact NZ-O 2.83Å; K153-E157 WeakPolarHBondContact CE-OE1 3.47Å; K153-E157 WeakPolarHBondContact CE-OE2 3.46Å; K153-E157 HydrophobicContact CG-CG 4.4Å; K153-E157 IonicContact NZ-OE1 3.32Å; K153-E157 WeakPolarHBondContact O-CG 3.1Å; K153-E157 PolarHBondContact O-N 3.1Å; F154-E157 PolarHBondContact O-N 3.32Å
158Q97.2Very high96.6Very high75 Ų7541.5 Ų41.535%0.3521%0.209SC..Hα-helixtrans-80.1-29-180-67.6-7183.900113.5K14 I28 F154 Y155 G156K14-Q158 WeakPolarHBondContact CD-O 3.35Å; I28-Q158 HydrophobicContact CD1-CB 3.81Å; I28-Q158 HydrophobicContact CG2-CB 4.24Å; I28-Q158 PolarHBondContact O-NE2 2.92Å; F154-Q158 HydrophobicContact CD1-CG 4.24Å; F154-Q158 HydrophobicContact CD2-CG 4.17Å; F154-Q158 HydrophobicContact CE1-CG 3.99Å; F154-Q158 HydrophobicContact CE2-CG 3.9Å; F154-Q158 HydrophobicContact CG-CG 4.34Å; F154-Q158 HydrophobicContact CZ-CG 3.81Å; F154-Q158 VanDerWaalsContact O-CB 3.29Å; F154-Q158 WeakPolarHBondContact O-CB 3.3Å; F154-Q158 WeakPolarHBondContact O-CG 3.41Å; F154-Q158 PolarHBondContact O-N 2.76Å; Y155-Q158 PolarHBondContact O-N 2.89Å; G156-Q158 PolarHBondContact O-N 2.85Å
159R97.5Very high96.6Very high0 Ų041.7 Ų41.70%021%0.21CC..Hα-helixtrans-95.8-25.8-177.1-170.853.6175.3127.911.2114.2K13 K14 D24 S26 I28 A126 G127 Y155 G156K13-R159 WeakPolarHBondContact CA-O 3.37Å; K14-R159 PolarHBondContact N-O 3.07Å; K14-R159 PolarHBondContact O-NH1 2.91Å; D24-R159 IonicContact OD1-CZ 2.9Å; D24-R159 VanDerWaalsContact OD1-CZ 3.23Å; D24-R159 IonicContact OD1-NH1 3.26Å; D24-R159 PolarHBondContact OD1-NH1 3.24Å; D24-R159 IonicContact OD1-NH2 2.68Å; D24-R159 PolarHBondContact OD1-NH2 2.95Å; D24-R159 IonicContact OD2-NH2 2.68Å; S26-R159 VanDerWaalsContact OG-CD 3.24Å; S26-R159 WeakPolarHBondContact OG-CD 3.14Å; S26-R159 PolarHBondContact OG-NH1 3.06Å; I28-R159 HydrophobicContact CD1-CB 3.89Å; A126-R159 PolarHBondContact O-NH2 3.37Å; G127-R159 PolarHBondContact O-NE 2.86Å; G127-R159 PolarHBondContact O-NH2 3.08Å; Y155-R159 HydrophobicContact CD2-CB 4.38Å; Y155-R159 HydrophobicContact CE1-CB 4.32Å; Y155-R159 HydrophobicContact CE1-CG 4.47Å; Y155-R159 HydrophobicContact CE2-CB 3.97Å; Y155-R159 HydrophobicContact CE2-CG 4.1Å; Y155-R159 WeakPolarHBondContact O-CB 3.17Å; Y155-R159 PolarHBondContact O-N 2.85Å; G156-R159 PolarHBondContact O-N 3.34Å
160T95.6Very high96.6Very high3 Ų337.4 Ų37.42%0.01819%0.19CC..BIsolated β-bridgetrans-135.9151.3-172.860.90000112.6H12 K13 K14 G156 N162 G163 K164H12-T160 CarbonylContact O-C 3.57Å; H12-T160 WeakPolarHBondContact O-CA 3.45Å; H12-T160 WeakPolarHBondContact O-CB 3.37Å; K13-T160 HydrophobicContact CG-CG2 4.26Å; K14-T160 WeakPolarHBondContact CE-O 3.15Å; G156-T160 PolarHBondContact O-N 3.29Å; G156-T160 PolarHBondContact O-OG1 3.08Å; T160-N162 PolarHBondContact OG1-OD1 3.34Å; T160-G163 VanDerWaalsContact OG1-C 3.25Å; T160-G163 WeakPolarHBondContact OG1-CA 3.33Å; T160-G163 PolarHBondContact OG1-N 2.63Å; T160-K164 PolarHBondContact OG1-N 2.77Å; T160-K164 VanDerWaalsContact OG1-N 3.11Å
161D93Very high96.6Very high107 Ų10733.4 Ų33.457%0.57217%0.171SC*.THydrogen-bonded Turntrans-77-24.7178.2-61.3-47.1000112.6H12 K14H12-D161 PolarHBondContact O-N 2.73Å; K14-D161 WeakPolarHBondContact CE-OD1 3.17Å; K14-D161 WeakPolarHBondContact CG-OD1 3.12Å
162N92.6Very high96.6Very high59 Ų5936.2 Ų36.232%0.31618%0.182SC..THydrogen-bonded Turntrans-99.75.6178.664.84.5000113.8T160 K164T160-N162 PolarHBondContact OG1-OD1 3.34Å; N162-K164 PolarHBondContact O-N 2.76Å; N162-K164 VanDerWaalsContact O-N 3.11Å; N162-K164 WeakPolarHBondContact OD1-CB 3.42Å; N162-K164 PolarHBondContact OD1-N 3.18Å
163G93.9Very high96.5Very high35 Ų3536.1 Ų36.136%0.36118%0.181SC..SBendtrans68.9-1.6-176.700000115.7G156 T160 G165G156-G163 WeakPolarHBondContact CA-O 3.46Å; T160-G163 VanDerWaalsContact OG1-C 3.25Å; T160-G163 WeakPolarHBondContact OG1-CA 3.33Å; T160-G163 PolarHBondContact OG1-N 2.63Å; G163-G165 VanDerWaalsContact C-N 3.26Å; G163-G165 PolarHBondContact O-N 2.93Å
164K92.6Very high96.5Very high70 Ų7030 Ų3030%0.30415%0.154SC..  trans-79.766.5-178.3-65.9-173.1179.8179.80111.6K128 T160 N162 T167 D485 D486K128-K164 WeakPolarHBondContact CE-O 3.42Å; T160-K164 PolarHBondContact OG1-N 2.77Å; T160-K164 VanDerWaalsContact OG1-N 3.11Å; N162-K164 PolarHBondContact O-N 2.76Å; N162-K164 VanDerWaalsContact O-N 3.11Å; N162-K164 WeakPolarHBondContact OD1-CB 3.42Å; N162-K164 PolarHBondContact OD1-N 3.18Å; K164-T167 HydrophobicContact CB-CG2 3.81Å; K164-T167 HydrophobicContact CG-CG2 4.35Å; K164-D485 PolarHBondContact NZ-O 3.44Å; K164-D486 IonicContact NZ-OD1 2.82Å; K164-D486 PolarHBondContact NZ-OD1 3.1Å
165G95.2Very high96.6Very high2 Ų226.9 Ų26.92%0.02114%0.141CC..SBendtrans-72.4-84175.800000113.6K128 G163K128-G165 WeakPolarHBondContact CG-O 3.34Å; G163-G165 VanDerWaalsContact C-N 3.26Å; G163-G165 PolarHBondContact O-N 2.93Å
166V97.2Very high96.5Very high6 Ų630 Ų304%0.03616%0.155CC..SBendtrans-100.4103175-175.10000109.1V133 L152 Y155 Q171 R172V133-V166 HydrophobicContact CG2-CG1 4.27Å; L152-V166 HydrophobicContact CD2-CB 3.74Å; L152-V166 HydrophobicContact CD2-CG1 4.1Å; L152-V166 HydrophobicContact CD2-CG2 4.1Å; Y155-V166 HydrophobicContact CD1-CG2 3.92Å; Y155-V166 HydrophobicContact CE1-CG2 3.95Å; V166-Q171 HydrophobicContact CG1-CB 3.58Å; V166-R172 HydrophobicContact CG1-CG 3.94Å; V166-R172 WeakPolarHBondContact O-CG 3.31Å
167T95.9Very high96.5Very high32 Ų3230.5 Ų30.520%0.19616%0.157CC..  trans-100.6-29.5-17551.50000113.9K164 P169K164-T167 HydrophobicContact CB-CG2 3.81Å; K164-T167 HydrophobicContact CG-CG2 4.35Å; T167-P169 WeakPolarHBondContact O-CD 3.42Å
168I97.1Very high96.6Very high15 Ų1526.2 Ų26.28%0.07714%0.137CC..  trans-70122.3-176-63.4177.8000109.5H93 S170 Q171 R172 D333H93-I168 HydrophobicContact CB-CD1 3.85Å; I168-S170 PolarHBondContact O-N 3.47Å; I168-Q171 HydrophobicContact CB-CB 4.12Å; I168-Q171 HydrophobicContact CB-CG 4.07Å; I168-Q171 HydrophobicContact CG2-CB 4.45Å; I168-Q171 HydrophobicContact CG2-CG 4.17Å; I168-Q171 WeakPolarHBondContact O-CA 3.36Å; I168-Q171 WeakPolarHBondContact O-CB 3.38Å; I168-Q171 PolarHBondContact O-N 3.03Å; I168-R172 PolarHBondContact O-N 3.1Å; I168-D333 HydrophobicContact CG2-CB 4.31Å; I168-D333 WeakPolarHBondContact CG2-OD1 3.23Å
169P97.4Very high96.6Very high4 Ų423.3 Ų23.33%0.02612%0.124CC..Hα-helixtrans-56.6-42.6-175.7-28.634.9000114.3T167 Q171 R172 R173 S330 E331 D333 Y336T167-P169 WeakPolarHBondContact O-CD 3.42Å; P169-Q171 VanDerWaalsContact C-N 3.28Å; P169-Q171 PolarHBondContact O-N 2.92Å; P169-R172 PolarHBondContact O-N 2.83Å; P169-R173 WeakPolarHBondContact O-CB 3.15Å; P169-R173 PolarHBondContact O-N 3.15Å; P169-S330 WeakPolarHBondContact CG-O 3.31Å; P169-E331 WeakPolarHBondContact CB-O 3.32Å; P169-D333 WeakPolarHBondContact CD-OD1 3.24Å; P169-Y336 VanDerWaalsContact CD-CE1 3.49Å; P169-Y336 HydrophobicContact CG-CD1 3.67Å; P169-Y336 HydrophobicContact CG-CE1 4.32Å; P169-Y336 HydrophobicContact CG-CG 3.8Å
170S97.9Very high96.5Very high0 Ų024.1 Ų24.10%013%0.128CC..Hα-helixtrans-58.2-38173.8-68.50000113.3I168 Y174 W274 D333I168-S170 PolarHBondContact O-N 3.47Å; S170-Y174 WeakPolarHBondContact O-CD2 3.24Å; S170-Y174 PolarHBondContact O-N 3.42Å; S170-W274 PolarHBondContact OG-N 3.39Å; S170-D333 VanDerWaalsContact CB-OD1 3.31Å; S170-D333 WeakPolarHBondContact CB-OD1 3.26Å; S170-D333 WeakPolarHBondContact CB-OD2 3.49Å; S170-D333 PolarHBondContact N-OD1 2.71Å; S170-D333 PolarHBondContact OG-OD1 3.46Å; S170-D333 PolarHBondContact OG-OD2 3.31Å
171Q98.1Very high96.5Very high2 Ų225 Ų251%0.00913%0.132CC..Hα-helixtrans-69.6-41.9176.7-74.1-177-13.400111.5N94 G129 V133 V166 I168 P169 Y174N94-Q171 WeakPolarHBondContact O-CG 3.49Å; N94-Q171 PolarHBondContact O-NE2 2.97Å; G129-Q171 VanDerWaalsContact CA-OE1 3.25Å; V133-Q171 HydrophobicContact CG2-CB 3.51Å; V133-Q171 HydrophobicContact CG2-CG 3.88Å; V166-Q171 HydrophobicContact CG1-CB 3.58Å; I168-Q171 HydrophobicContact CB-CB 4.12Å; I168-Q171 HydrophobicContact CB-CG 4.07Å; I168-Q171 HydrophobicContact CG2-CB 4.45Å; I168-Q171 HydrophobicContact CG2-CG 4.17Å; I168-Q171 WeakPolarHBondContact O-CA 3.36Å; I168-Q171 WeakPolarHBondContact O-CB 3.38Å; I168-Q171 PolarHBondContact O-N 3.03Å; P169-Q171 VanDerWaalsContact C-N 3.28Å; P169-Q171 PolarHBondContact O-N 2.92Å; Q171-Y174 PolarHBondContact O-N 3.31Å
172R98.3Very high96.7Very high59 Ų5922.1 Ų22.122%0.22312%0.116CC..Hα-helixtrans-60.2-49.4173.9-65.4178.357.182.14.5111E149 L152 V166 I168 P169 Y174 V175 H176E149-R172 IonicContact OE1-NH2 2.81Å; E149-R172 PolarHBondContact OE1-NH2 3.46Å; E149-R172 IonicContact OE2-CZ 3.51Å; E149-R172 IonicContact OE2-NH2 2.71Å; E149-R172 PolarHBondContact OE2-NH2 2.85Å; L152-R172 HydrophobicContact CD1-CB 4.18Å; L152-R172 HydrophobicContact CD1-CG 4.31Å; L152-R172 HydrophobicContact CD2-CG 4.26Å; V166-R172 HydrophobicContact CG1-CG 3.94Å; V166-R172 WeakPolarHBondContact O-CG 3.31Å; I168-R172 PolarHBondContact O-N 3.1Å; P169-R172 PolarHBondContact O-N 2.83Å; R172-Y174 PolarHBondContact O-N 2.91Å; R172-Y174 VanDerWaalsContact O-N 3.16Å; R172-V175 WeakPolarHBondContact O-CA 3.46Å; R172-V175 WeakPolarHBondContact O-CB 3.21Å; R172-V175 PolarHBondContact O-N 3.26Å; R172-H176 PolarHBondContact O-CD2 3.23Å; R172-H176 VanDerWaalsContact O-CD2 3.23Å; R172-H176 PolarHBondContact O-N 3.39Å; R172-H176 VanDerWaalsContact O-N 3.13Å
173R97.9Very high96.8Very high5 Ų524.5 Ų24.52%0.01912%0.124CC..Hα-helixtrans-52.2-38.9-179.7-173.1178-55.9114.915.6113.1P169 V175 H176 Y177 W274 E331P169-R173 WeakPolarHBondContact O-CB 3.15Å; P169-R173 PolarHBondContact O-N 3.15Å; R173-V175 VanDerWaalsContact C-N 3.33Å; R173-V175 PolarHBondContact O-N 2.92Å; R173-H176 WeakPolarHBondContact O-CB 3.46Å; R173-H176 PolarHBondContact O-N 2.97Å; R173-Y177 WeakPolarHBondContact CD-OH 3.35Å; R173-Y177 HydrophobicContact CG-CD1 4.29Å; R173-Y177 HydrophobicContact CG-CE1 3.76Å; R173-Y177 HydrophobicContact CG-CE2 4.02Å; R173-Y177 PolarHBondContact O-N 2.95Å; R173-W274 PolarHBondContact NH1-O 2.94Å; R173-E331 IonicContact CZ-OE2 3.25Å; R173-E331 IonicContact NE-OE2 2.76Å; R173-E331 PolarHBondContact NE-OE2 3.1Å; R173-E331 PolarHBondContact NH2-O 2.83Å; R173-E331 IonicContact NH2-OE2 3.89Å; R173-E331 PolarHBondContact NH2-OE2 2.85Å
174Y98.2Very high96.7Very high0 Ų027.3 Ų27.30%013%0.13CC..Hα-helixtrans-72-26.2178.8-84.5-122.2000113A95 P96 I101 S170 Q171 R172 Y177 Y178 D254 W274 F275A95-Y174 HydrophobicContact CB-CD1 3.93Å; A95-Y174 HydrophobicContact CB-CD2 3.69Å; A95-Y174 HydrophobicContact CB-CE1 4.01Å; A95-Y174 HydrophobicContact CB-CE2 3.8Å; A95-Y174 HydrophobicContact CB-CG 3.77Å; P96-Y174 WeakPolarHBondContact O-CD1 3.45Å; P96-Y174 WeakPolarHBondContact O-CE1 3.33Å; I101-Y174 HydrophobicContact CD1-CD1 4.07Å; S170-Y174 WeakPolarHBondContact O-CD2 3.24Å; S170-Y174 PolarHBondContact O-N 3.42Å; Q171-Y174 PolarHBondContact O-N 3.31Å; R172-Y174 PolarHBondContact O-N 2.91Å; R172-Y174 VanDerWaalsContact O-N 3.16Å; Y174-Y177 HydrophobicContact CD2-CD2 4Å; Y174-Y177 HydrophobicContact CD2-CE2 4.08Å; Y174-Y177 HydrophobicContact CE2-CD2 4.2Å; Y174-Y177 AromaticContact CE2-CE2 3.92Å; Y174-Y177 HydrophobicContact CE2-CE2 3.92Å; Y174-Y177 HydrophobicContact CG-CD2 4.24Å; Y174-Y178 PolarHBondContact O-N 3.37Å; Y174-Y178 VanDerWaalsContact O-N 3.11Å; Y174-D254 WeakPolarHBondContact CE1-OD1 3.39Å; Y174-D254 PolarHBondContact OH-OD1 2.92Å; Y174-W274 HydrophobicContact CE2-CB 3.72Å; Y174-F275 PolarHBondContact OH-O 3.22Å
175V98.5Very high96.7Very high1 Ų131 Ų311%0.00615%0.153CC..Hα-helixtrans-69.6-40.9167.5-177.50000110.7V133 C136 L140 A148 L152 R172 R173 Y178 D179V133-V175 HydrophobicContact CB-CG2 4.45Å; V133-V175 HydrophobicContact CG1-CG2 4.13Å; C136-V175 HydrophobicContact CB-CB 4.47Å; C136-V175 HydrophobicContact CB-CG1 3.66Å; C136-V175 HydrophobicContact CB-CG2 3.89Å; L140-V175 HydrophobicContact CD1-CG1 3.81Å; A148-V175 HydrophobicContact CB-CG1 3.99Å; L152-V175 HydrophobicContact CD1-CB 4.41Å; L152-V175 HydrophobicContact CD1-CG1 4.44Å; L152-V175 HydrophobicContact CD2-CB 4.27Å; L152-V175 HydrophobicContact CD2-CG1 4.41Å; L152-V175 HydrophobicContact CD2-CG2 4.02Å; L152-V175 HydrophobicContact CG-CB 4.43Å; L152-V175 HydrophobicContact CG-CG1 4.19Å; R172-V175 WeakPolarHBondContact O-CA 3.46Å; R172-V175 WeakPolarHBondContact O-CB 3.21Å; R172-V175 PolarHBondContact O-N 3.26Å; R173-V175 VanDerWaalsContact C-N 3.33Å; R173-V175 PolarHBondContact O-N 2.92Å; V175-Y178 PolarHBondContact O-N 3.4Å; V175-D179 PolarHBondContact O-N 2.93Å
176H98Very high96.5Very high67 Ų6732.4 Ų32.431%0.3116%0.16SC..Hα-helixtrans-64.4-39.7173.4-69-90.5000112.7A148 E149 R172 R173 Y178 D179 L180A148-H176 HydrophobicContact CB-CB 4.4Å; E149-H176 IonicContact OE1-CE1 2.76Å; E149-H176 PolarHBondContact OE1-CE1 2.87Å; E149-H176 VanDerWaalsContact OE1-CE1 3.28Å; E149-H176 IonicContact OE1-NE2 2.92Å; E149-H176 PolarHBondContact OE1-NE2 2.89Å; R172-H176 PolarHBondContact O-CD2 3.23Å; R172-H176 VanDerWaalsContact O-CD2 3.23Å; R172-H176 PolarHBondContact O-N 3.39Å; R172-H176 VanDerWaalsContact O-N 3.13Å; R173-H176 WeakPolarHBondContact O-CB 3.46Å; R173-H176 PolarHBondContact O-N 2.97Å; H176-Y178 VanDerWaalsContact C-N 3.27Å; H176-Y178 PolarHBondContact O-N 3.17Å; H176-D179 PolarHBondContact O-N 2.91Å; H176-L180 WeakPolarHBondContact O-CB 3.49Å; H176-L180 PolarHBondContact O-N 3.06Å
177Y97.8Very high96.3Very high9 Ų939.2 Ų39.24%0.03519%0.192CC..Hα-helixtrans-58.8-40.2172.2-69.8-13000111.5R173 Y174 F181 N276 F279R173-Y177 WeakPolarHBondContact CD-OH 3.35Å; R173-Y177 HydrophobicContact CG-CD1 4.29Å; R173-Y177 HydrophobicContact CG-CE1 3.76Å; R173-Y177 HydrophobicContact CG-CE2 4.02Å; R173-Y177 PolarHBondContact O-N 2.95Å; Y174-Y177 HydrophobicContact CD2-CD2 4Å; Y174-Y177 HydrophobicContact CD2-CE2 4.08Å; Y174-Y177 HydrophobicContact CE2-CD2 4.2Å; Y174-Y177 AromaticContact CE2-CE2 3.92Å; Y174-Y177 HydrophobicContact CE2-CE2 3.92Å; Y174-Y177 HydrophobicContact CG-CD2 4.24Å; Y177-F181 VanDerWaalsContact O-CB 3.26Å; Y177-F181 WeakPolarHBondContact O-CB 3.26Å; Y177-F181 PolarHBondContact O-N 3.4Å; Y177-N276 HydrophobicContact CD2-CB 4.23Å; Y177-N276 HydrophobicContact CE2-CB 3.87Å; Y177-F279 HydrophobicContact CD1-CB 3.66Å; Y177-F279 AromaticContact CD1-CD1 3.74Å; Y177-F279 HydrophobicContact CD1-CD1 3.74Å; Y177-F279 HydrophobicContact CD1-CD2 4.13Å; Y177-F279 HydrophobicContact CD1-CE1 4.47Å; Y177-F279 AromaticContact CD1-CG 3.54Å; Y177-F279 HydrophobicContact CD1-CG 3.54Å; Y177-F279 HydrophobicContact CD2-CB 4.38Å; Y177-F279 AromaticContact CD2-CD2 3.75Å; Y177-F279 HydrophobicContact CD2-CD2 3.75Å; Y177-F279 HydrophobicContact CD2-CE2 4.25Å; Y177-F279 HydrophobicContact CD2-CG 4.02Å; Y177-F279 HydrophobicContact CE1-CB 3.42Å; Y177-F279 VanDerWaalsContact CE1-CB 3.42Å; Y177-F279 HydrophobicContact CE1-CD1 4.39Å; Y177-F279 AromaticContact CE1-CG 3.86Å; Y177-F279 HydrophobicContact CE1-CG 3.86Å; Y177-F279 HydrophobicContact CE2-CB 4.19Å; Y177-F279 HydrophobicContact CE2-CD2 4.17Å; Y177-F279 HydrophobicContact CE2-CG 4.31Å; Y177-F279 HydrophobicContact CG-CB 4.13Å; Y177-F279 AromaticContact CG-CD1 3.93Å; Y177-F279 HydrophobicContact CG-CD1 3.93Å; Y177-F279 AromaticContact CG-CD2 3.71Å; Y177-F279 HydrophobicContact CG-CD2 3.71Å; Y177-F279 HydrophobicContact CG-CE1 4.3Å; Y177-F279 HydrophobicContact CG-CE2 4.1Å; Y177-F279 AromaticContact CG-CG 3.61Å; Y177-F279 HydrophobicContact CG-CG 3.61Å; Y177-F279 HydrophobicContact CG-CZ 4.38Å; Y177-F279 WeakPolarHBondContact O-CE1 3.35Å; Y177-F279 WeakPolarHBondContact O-CZ 3.46Å
178Y98.1Very high96.1Very high0 Ų039.5 Ų39.50%019%0.189CC..Hα-helixtrans-71.1-39.9178.3-160.8-103.8000113.1F98 I101 I102 C105 A137 R141 Y174 V175 H176 F181 L182F98-Y178 HydrophobicContact CE2-CD2 4.13Å; F98-Y178 AromaticContact CZ-CD2 3.94Å; F98-Y178 HydrophobicContact CZ-CD2 3.94Å; I101-Y178 HydrophobicContact CB-CD2 4.18Å; I101-Y178 HydrophobicContact CB-CE2 4.43Å; I101-Y178 HydrophobicContact CG2-CD1 4.38Å; I101-Y178 HydrophobicContact CG2-CD2 3.44Å; I101-Y178 VanDerWaalsContact CG2-CD2 3.44Å; I101-Y178 HydrophobicContact CG2-CE2 3.76Å; I101-Y178 HydrophobicContact CG2-CG 3.78Å; I102-Y178 HydrophobicContact CG1-CE2 4.01Å; C105-Y178 HydrophobicContact CB-CE1 4.34Å; C105-Y178 WeakPolarHBondContact CB-OH 3.36Å; A137-Y178 HydrophobicContact CB-CD1 3.66Å; A137-Y178 HydrophobicContact CB-CE1 3.99Å; A137-Y178 HydrophobicContact CB-CG 4.05Å; A137-Y178 WeakPolarHBondContact O-CE1 3.27Å; R141-Y178 HydrophobicContact CB-CE1 4.19Å; R141-Y178 PolarHBondContact NE-OH 3.44Å; R141-Y178 PolarHBondContact NH2-OH 3.04Å; Y174-Y178 PolarHBondContact O-N 3.37Å; Y174-Y178 VanDerWaalsContact O-N 3.11Å; V175-Y178 PolarHBondContact O-N 3.4Å; H176-Y178 VanDerWaalsContact C-N 3.27Å; H176-Y178 PolarHBondContact O-N 3.17Å; Y178-F181 HydrophobicContact CD2-CD1 4.22Å; Y178-F181 HydrophobicContact CE2-CD1 4.06Å; Y178-F181 HydrophobicContact CE2-CE1 4.25Å; Y178-F181 WeakPolarHBondContact O-CB 3.42Å; Y178-F181 PolarHBondContact O-N 3.4Å; Y178-L182 HydrophobicContact CD1-CD1 3.85Å; Y178-L182 HydrophobicContact CD1-CG 4.23Å; Y178-L182 HydrophobicContact CE1-CD1 3.6Å; Y178-L182 HydrophobicContact CE1-CD2 4.32Å; Y178-L182 HydrophobicContact CE1-CG 3.99Å; Y178-L182 WeakPolarHBondContact O-CG 3.21Å; Y178-L182 PolarHBondContact O-N 3.02Å
179D97.8Very high95.8Very high14 Ų1442.3 Ų42.38%0.07520%0.202CC..Hα-helixtrans-59.6-46.2172.3-174.622.8000111.4L140 N147 A148 V175 H176 F181 L182 K183L140-D179 HydrophobicContact CD1-CB 3.95Å; L140-D179 HydrophobicContact CD2-CB 4.41Å; N147-D179 WeakPolarHBondContact CA-OD2 3.34Å; A148-D179 HydrophobicContact CB-CB 3.83Å; A148-D179 PolarHBondContact N-OD2 3.39Å; V175-D179 PolarHBondContact O-N 2.93Å; H176-D179 PolarHBondContact O-N 2.91Å; D179-F181 PolarHBondContact O-N 3.25Å; D179-L182 PolarHBondContact O-N 3.04Å; D179-K183 WeakPolarHBondContact O-CB 3.47Å; D179-K183 WeakPolarHBondContact O-CG 3.29Å; D179-K183 PolarHBondContact O-N 2.97Å; D179-K183 VanDerWaalsContact OD1-CD 3.29Å; D179-K183 WeakPolarHBondContact OD1-CD 3.17Å; D179-K183 WeakPolarHBondContact OD1-CE 3.45Å; D179-K183 IonicContact OD1-NZ 2.98Å; D179-K183 PolarHBondContact OD1-NZ 3.3Å; D179-K183 IonicContact OD2-NZ 2.72Å; D179-K183 PolarHBondContact OD2-NZ 2.91Å
180L95.7Very high95.5Very high16 Ų1645.1 Ų45.18%0.08421%0.212CC..Hα-helixtrans-63.8-41.2176.4-171.464.8000112.4H176 N184 F279 E284H176-L180 WeakPolarHBondContact O-CB 3.49Å; H176-L180 PolarHBondContact O-N 3.06Å; L180-N184 WeakPolarHBondContact CD1-ND2 3.25Å; L180-N184 WeakPolarHBondContact O-CB 3.37Å; L180-N184 PolarHBondContact O-N 3.11Å; L180-N184 VanDerWaalsContact O-N 3.11Å; L180-F279 HydrophobicContact CD2-CD1 4.09Å; L180-F279 HydrophobicContact CD2-CE1 4.46Å; L180-E284 HydrophobicContact CD1-CG 3.62Å; L180-E284 HydrophobicContact CD2-CG 4.35Å
181F95.9Very high95Very high21 Ų2146 Ų469%0.09222%0.217CC..Hα-helixtrans-58.7-45.9174.9166.9-95.6000112.1F98 I102 Y177 Y178 D179 N185 L186 F279F98-F181 HydrophobicContact CE1-CB 4.41Å; F98-F181 HydrophobicContact CE1-CD2 4.15Å; F98-F181 HydrophobicContact CE1-CG 4.22Å; F98-F181 HydrophobicContact CZ-CB 3.87Å; F98-F181 HydrophobicContact CZ-CD2 4.43Å; F98-F181 HydrophobicContact CZ-CG 4.06Å; I102-F181 HydrophobicContact CD1-CE2 4.21Å; I102-F181 HydrophobicContact CD1-CZ 4.04Å; I102-F181 HydrophobicContact CG1-CE1 4.3Å; I102-F181 HydrophobicContact CG1-CZ 4.26Å; Y177-F181 VanDerWaalsContact O-CB 3.26Å; Y177-F181 WeakPolarHBondContact O-CB 3.26Å; Y177-F181 PolarHBondContact O-N 3.4Å; Y178-F181 HydrophobicContact CD2-CD1 4.22Å; Y178-F181 HydrophobicContact CE2-CD1 4.06Å; Y178-F181 HydrophobicContact CE2-CE1 4.25Å; Y178-F181 WeakPolarHBondContact O-CB 3.42Å; Y178-F181 PolarHBondContact O-N 3.4Å; D179-F181 PolarHBondContact O-N 3.25Å; F181-N185 PolarHBondContact O-N 2.92Å; F181-L186 HydrophobicContact CD2-CB 3.91Å; F181-L186 WeakPolarHBondContact CE2-O 3.25Å; F181-L186 PolarHBondContact O-N 3.37Å; F181-F279 HydrophobicContact CB-CE1 4.48Å; F181-F279 HydrophobicContact CB-CZ 4.29Å
182L96.5Very high94.6Very high47 Ų4747.7 Ų47.725%0.24623%0.228CC..Hα-helixtrans-68.3-51.6176.9-69.2177.1000112.2L140 R141 Y178 D179 N184 N185L140-L182 HydrophobicContact CB-CD1 3.87Å; R141-L182 HydrophobicContact CB-CD1 4.49Å; Y178-L182 HydrophobicContact CD1-CD1 3.85Å; Y178-L182 HydrophobicContact CD1-CG 4.23Å; Y178-L182 HydrophobicContact CE1-CD1 3.6Å; Y178-L182 HydrophobicContact CE1-CD2 4.32Å; Y178-L182 HydrophobicContact CE1-CG 3.99Å; Y178-L182 WeakPolarHBondContact O-CG 3.21Å; Y178-L182 PolarHBondContact O-N 3.02Å; D179-L182 PolarHBondContact O-N 3.04Å; L182-N184 VanDerWaalsContact C-N 3.3Å; L182-N184 PolarHBondContact O-N 2.82Å; L182-N185 PolarHBondContact O-N 2.99Å; L182-N185 VanDerWaalsContact O-N 3.11Å
183K94.5Very high94.3Very high110 Ų11045.1 Ų45.148%0.47822%0.218SC..Hα-helixtrans-58-40.3-176.3-80.5170.2171.4159.80113.3D179D179-K183 WeakPolarHBondContact O-CB 3.47Å; D179-K183 WeakPolarHBondContact O-CG 3.29Å; D179-K183 PolarHBondContact O-N 2.97Å; D179-K183 VanDerWaalsContact OD1-CD 3.29Å; D179-K183 WeakPolarHBondContact OD1-CD 3.17Å; D179-K183 WeakPolarHBondContact OD1-CE 3.45Å; D179-K183 IonicContact OD1-NZ 2.98Å; D179-K183 PolarHBondContact OD1-NZ 3.3Å; D179-K183 IonicContact OD2-NZ 2.72Å; D179-K183 PolarHBondContact OD2-NZ 2.91Å
184N92.3Very high94Very high93 Ų9346.4 Ų46.450%0.49722%0.224SC..THydrogen-bonded Turntrans-93.94.3-178.5-66.1-20.5000113.2L180 L182 L186L180-N184 WeakPolarHBondContact CD1-ND2 3.25Å; L180-N184 WeakPolarHBondContact O-CB 3.37Å; L180-N184 PolarHBondContact O-N 3.11Å; L180-N184 VanDerWaalsContact O-N 3.11Å; L182-N184 VanDerWaalsContact C-N 3.3Å; L182-N184 PolarHBondContact O-N 2.82Å; N184-L186 VanDerWaalsContact C-N 3.27Å; N184-L186 HydrophobicContact CB-CD1 4.18Å; N184-L186 HydrophobicContact CB-CD2 3.67Å; N184-L186 HydrophobicContact CB-CG 3.68Å; N184-L186 PolarHBondContact O-N 3.42Å
185N92.3Very high93.8Very high148 Ų14846.4 Ų46.479%0.79122%0.224SC*.THydrogen-bonded Turntrans48.847.8-178-172.950.6000112.5F181 L182F181-N185 PolarHBondContact O-N 2.92Å; L182-N185 PolarHBondContact O-N 2.99Å; L182-N185 VanDerWaalsContact O-N 3.11Å
186L92.1Very high93.4Very high32 Ų3247.6 Ų47.617%0.16823%0.231CC..  trans-75.8153.8-172.1-62.5-176.8000112F181 N184 Y278 H282F181-L186 HydrophobicContact CD2-CB 3.91Å; F181-L186 WeakPolarHBondContact CE2-O 3.25Å; F181-L186 PolarHBondContact O-N 3.37Å; N184-L186 VanDerWaalsContact C-N 3.27Å; N184-L186 HydrophobicContact CB-CD1 4.18Å; N184-L186 HydrophobicContact CB-CD2 3.67Å; N184-L186 HydrophobicContact CB-CG 3.68Å; N184-L186 PolarHBondContact O-N 3.42Å; L186-Y278 HydrophobicContact CB-CE1 4.29Å; L186-Y278 HydrophobicContact CD1-CE1 3.9Å; L186-H282 HydrophobicContact CD1-CB 4.38Å
187Q92Very high93.1Very high149 Ų14944.4 Ų44.470%0.69622%0.217SC*.  trans-107.9101.1169.6-68.4-169.8-12.300109.1H189 Y278Q187-H189 PolarHBondContact O-ND1 2.96Å; Q187-H189 VanDerWaalsContact O-ND1 3.1Å; Q187-Y278 WeakPolarHBondContact O-CE2 3.38Å; Q187-Y278 PolarHBondContact O-OH 3.39Å
188Y92.7Very high93Very high37 Ų3744 Ų4415%0.14522%0.215CC..  trans-68.7136-177.9175.1-92.6000111.4F98 E99 I102 N276 Y278 F279F98-Y188 HydrophobicContact CB-CE2 4.23Å; F98-Y188 HydrophobicContact CD1-CD1 4.21Å; F98-Y188 AromaticContact CD1-CD2 3.4Å; F98-Y188 HydrophobicContact CD1-CD2 3.4Å; F98-Y188 HydrophobicContact CD1-CE1 4.35Å; F98-Y188 AromaticContact CD1-CE2 3.56Å; F98-Y188 HydrophobicContact CD1-CE2 3.56Å; F98-Y188 AromaticContact CD1-CG 3.72Å; F98-Y188 HydrophobicContact CD1-CG 3.72Å; F98-Y188 AromaticContact CE1-CD2 3.77Å; F98-Y188 HydrophobicContact CE1-CD2 3.77Å; F98-Y188 HydrophobicContact CE1-CE2 4.35Å; F98-Y188 HydrophobicContact CE1-CG 4.01Å; F98-Y188 HydrophobicContact CG-CD2 4.42Å; F98-Y188 HydrophobicContact CG-CE2 4.19Å; E99-Y188 HydrophobicContact CG-CD1 4.23Å; E99-Y188 HydrophobicContact CG-CE1 3.63Å; E99-Y188 PolarHBondContact OE2-OH 3.11Å; I102-Y188 HydrophobicContact CD1-CD1 4.15Å; I102-Y188 HydrophobicContact CD1-CG 4.16Å; Y188-N276 PolarHBondContact OH-ND2 2.95Å; Y188-Y278 AromaticContact CD2-CD1 3.96Å; Y188-Y278 HydrophobicContact CD2-CD1 3.96Å; Y188-Y278 HydrophobicContact CD2-CD2 4.13Å; Y188-Y278 HydrophobicContact CD2-CE1 4.49Å; Y188-Y278 AromaticContact CD2-CG 3.76Å; Y188-Y278 HydrophobicContact CD2-CG 3.76Å; Y188-Y278 HydrophobicContact CE2-CG 4.1Å; Y188-F279 HydrophobicContact CD2-CE2 4.26Å; Y188-F279 HydrophobicContact CE2-CE2 4.37Å
189H90.2Very high92.8Very high74 Ų7447 Ų4734%0.34323%0.227SC..  trans-152.5157.7169.654.8-83.5000108.2Q187 I191 Y278Q187-H189 PolarHBondContact O-ND1 2.96Å; Q187-H189 VanDerWaalsContact O-ND1 3.1Å; H189-I191 WeakPolarHBondContact NE2-CG1 3.38Å; H189-I191 PolarHBondContact O-N 3.21Å; H189-I191 VanDerWaalsContact O-N 3.17Å; H189-Y278 AromaticContact CE1-CE2 3.76Å; H189-Y278 AromaticContact ND1-CE2 3.71Å; H189-Y278 WeakPolarHBondContact O-CD2 3.5Å
190R90Very high92.6Very high64 Ų6446.5 Ų46.524%0.24222%0.224CC..  trans-72.8109.4-180-63.9179.8177.6-163.2-8.5109.4E99 P192 F252E99-R190 IonicContact OE1-CZ 3.99Å; E99-R190 VanDerWaalsContact OE1-CZ 3.27Å; E99-R190 IonicContact OE1-NE 2.73Å; E99-R190 PolarHBondContact OE1-NE 2.71Å; E99-R190 IonicContact OE1-NH2 2.86Å; E99-R190 PolarHBondContact OE1-NH2 3.26Å; R190-P192 WeakPolarHBondContact O-CD 3.25Å; R190-F252 HydrophobicContact CB-CB 4.34Å
191I88.3Confident92.5Very high19 Ų1946.3 Ų46.310%0.09722%0.224CC..  trans-88.1121.1-179.7-71.6179.3000110.2H189 L193 T277 Y278 V281 V290H189-I191 WeakPolarHBondContact NE2-CG1 3.38Å; H189-I191 PolarHBondContact O-N 3.21Å; H189-I191 VanDerWaalsContact O-N 3.17Å; I191-L193 HydrophobicContact CG2-CD2 4.34Å; I191-L193 HydrophobicContact CG2-CG 4.3Å; I191-L193 PolarHBondContact O-N 2.87Å; I191-T277 WeakPolarHBondContact O-CB 3.44Å; I191-T277 PolarHBondContact O-OG1 3.44Å; I191-Y278 HydrophobicContact CD1-CD2 3.46Å; I191-Y278 VanDerWaalsContact CD1-CD2 3.46Å; I191-Y278 HydrophobicContact CD1-CE2 3.9Å; I191-Y278 HydrophobicContact CD1-CG 4.3Å; I191-Y278 HydrophobicContact CG1-CD2 3.84Å; I191-V281 HydrophobicContact CD1-CG2 3.52Å; I191-V281 HydrophobicContact CG2-CG2 4.2Å; I191-V290 HydrophobicContact CD1-CG2 4.49Å
192P90.3Very high92.3Very high37 Ų3745.4 Ų45.424%0.2422%0.221CC..  trans-71.2127.3176.426.9-32.5000111.4R190 L250 L251 P356 L381R190-P192 WeakPolarHBondContact O-CD 3.25Å; P192-L250 HydrophobicContact CB-CD1 3.83Å; P192-L251 WeakPolarHBondContact CA-O 3.48Å; P192-P356 HydrophobicContact CB-CG 3.92Å; P192-P356 HydrophobicContact CG-CG 4Å; P192-P356 VanDerWaalsContact O-CD 3.22Å; P192-P356 WeakPolarHBondContact O-CD 3.34Å; P192-L381 HydrophobicContact CG-CD2 4.47Å
193L91Very high92.1Very high4 Ų443.4 Ų43.42%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-133.7135.3173.9-67.1178.8000110.5I191 L251 T277 V280 V281 F353I191-L193 HydrophobicContact CG2-CD2 4.34Å; I191-L193 HydrophobicContact CG2-CG 4.3Å; I191-L193 PolarHBondContact O-N 2.87Å; L193-L251 PolarHBondContact N-O 3.5Å; L193-L251 PolarHBondContact O-N 2.84Å; L193-T277 HydrophobicContact CB-CG2 4.39Å; L193-T277 HydrophobicContact CD1-CG2 4.25Å; L193-V280 HydrophobicContact CD1-CB 3.79Å; L193-V280 HydrophobicContact CD1-CG1 3.87Å; L193-V280 HydrophobicContact CD1-CG2 4.33Å; L193-V281 HydrophobicContact CD1-CG1 4.38Å; L193-V281 HydrophobicContact CD2-CG1 4.09Å; L193-F353 HydrophobicContact CB-CB 4.36Å; L193-F353 HydrophobicContact CB-CD1 4.07Å; L193-F353 HydrophobicContact CD1-CB 4.33Å; L193-F353 HydrophobicContact CD1-CD1 4.34Å; L193-F353 HydrophobicContact CD1-CG 4.26Å
194F92Very high91.8Very high32 Ų3243 Ų4314%0.1421%0.21CC..EExtended strand (participates in β ladder)trans-85.6123.2169.9-74.6-80.5000110.4T196 D248 I249 L250 F353 T354 P356 I359F194-T196 PolarHBondContact O-N 3.37Å; F194-D248 HydrophobicContact CB-CB 4.19Å; F194-D248 HydrophobicContact CD1-CB 3.56Å; F194-D248 HydrophobicContact CE1-CB 4.21Å; F194-D248 HydrophobicContact CG-CB 4.14Å; F194-I249 CarbonylContact C-O 3.6Å; F194-I249 VanDerWaalsContact CA-O 3.28Å; F194-I249 WeakPolarHBondContact CA-O 3.48Å; F194-L250 HydrophobicContact CD1-CB 4.1Å; F194-L250 HydrophobicContact CD1-CD1 4.25Å; F194-L250 HydrophobicContact CD2-CD1 4.08Å; F194-L250 HydrophobicContact CE1-CB 3.78Å; F194-L250 HydrophobicContact CE1-CD1 4.04Å; F194-L250 HydrophobicContact CE1-CG 4.44Å; F194-L250 HydrophobicContact CE2-CD1 3.86Å; F194-L250 HydrophobicContact CG-CD1 4.3Å; F194-L250 HydrophobicContact CZ-CB 4.3Å; F194-L250 HydrophobicContact CZ-CD1 3.85Å; F194-F353 CarbonylContact O-C 3.55Å; F194-F353 WeakPolarHBondContact O-CA 3.36Å; F194-T354 WeakPolarHBondContact CB-O 3.5Å; F194-T354 PolarHBondContact N-O 3.43Å; F194-T354 PolarHBondContact O-N 2.91Å; F194-P356 HydrophobicContact CD2-CB 4.43Å; F194-P356 HydrophobicContact CD2-CG 4.13Å; F194-P356 HydrophobicContact CE2-CB 3.9Å; F194-P356 HydrophobicContact CE2-CG 3.88Å; F194-I359 HydrophobicContact CB-CD1 3.88Å; F194-I359 HydrophobicContact CD1-CD1 4.17Å; F194-I359 HydrophobicContact CD2-CD1 3.33Å; F194-I359 HydrophobicContact CD2-CG1 4.19Å; F194-I359 HydrophobicContact CE2-CD1 3.79Å; F194-I359 HydrophobicContact CG-CD1 3.53Å; F194-I359 HydrophobicContact CZ-CD1 4.36Å
195L92.9Very high91.4Very high1 Ų144.7 Ų44.71%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-76.8118.8169.2-176.678000109.5V198 L215 I249 L251 L351 F353L195-V198 HydrophobicContact CD1-CG2 4.19Å; L195-V198 HydrophobicContact CD2-CG2 3.93Å; L195-V198 HydrophobicContact CG-CG2 4.41Å; L195-L215 HydrophobicContact CD2-CD1 3.61Å; L195-L215 HydrophobicContact CD2-CD2 4.29Å; L195-I249 HydrophobicContact CB-CB 4.46Å; L195-I249 PolarHBondContact N-O 3.14Å; L195-L251 HydrophobicContact CB-CD1 3.82Å; L195-L351 HydrophobicContact CD1-CB 4.09Å; L195-L351 HydrophobicContact CD1-CD2 4.41Å; L195-F353 HydrophobicContact CB-CD1 4.41Å; L195-F353 HydrophobicContact CB-CE1 4.36Å; L195-F353 HydrophobicContact CD1-CD1 4.05Å; L195-F353 HydrophobicContact CD1-CE1 3.59Å; L195-F353 HydrophobicContact CD1-CZ 4.01Å
196T90.9Very high91.2Very high25 Ų2540.4 Ų40.415%0.15319%0.187CC..EExtended strand (participates in β ladder)trans-108.7-25.8-172.846.80000113.3F194 L320 Y352F194-T196 PolarHBondContact O-N 3.37Å; T196-L320 WeakPolarHBondContact CB-O 3.46Å; T196-L320 PolarHBondContact OG1-O 3.34Å; T196-Y352 PolarHBondContact N-O 3.11Å; T196-Y352 PolarHBondContact OG1-O 2.78Å; T196-Y352 VanDerWaalsContact OG1-O 3.1Å
197A92.8Very high90.9Very high0 Ų042.8 Ų42.80%020%0.204CC..EExtended strand (participates in β ladder)trans-160.5159.6170.400000112.7V242 I243 K244 L320 Y352A197-V242 HydrophobicContact CB-CG1 4.42Å; A197-I243 CarbonylContact C-O 3.58Å; A197-I243 WeakPolarHBondContact CA-O 3.35Å; A197-K244 HydrophobicContact CB-CG 4.23Å; A197-L320 HydrophobicContact CB-CB 4.15Å; A197-L320 HydrophobicContact CB-CD2 3.93Å; A197-L320 HydrophobicContact CB-CG 4.48Å; A197-Y352 HydrophobicContact CB-CD2 3.88Å; A197-Y352 HydrophobicContact CB-CG 4.38Å; A197-Y352 PolarHBondContact O-N 3.26Å
198V94.2Very high90.8Very high1 Ų138 Ų381%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-128.2116.7168.2178.70000108.8L195 V200 L213 V242 I243 F259 I349 T350 L351L195-V198 HydrophobicContact CD1-CG2 4.19Å; L195-V198 HydrophobicContact CD2-CG2 3.93Å; L195-V198 HydrophobicContact CG-CG2 4.41Å; V198-V200 HydrophobicContact CG1-CG2 4.14Å; V198-L213 HydrophobicContact CG1-CD1 4.28Å; V198-L213 HydrophobicContact CG2-CD2 3.83Å; V198-V242 CarbonylContact O-C 3.53Å; V198-V242 WeakPolarHBondContact O-CA 3.38Å; V198-I243 HydrophobicContact CB-CB 4.48Å; V198-I243 PolarHBondContact N-O 3.1Å; V198-I243 PolarHBondContact O-N 3.02Å; V198-F259 HydrophobicContact CG1-CE1 3.98Å; V198-F259 HydrophobicContact CG1-CZ 4.13Å; V198-I349 HydrophobicContact CG1-CG2 4.35Å; V198-T350 WeakPolarHBondContact CA-O 3.3Å; V198-L351 HydrophobicContact CB-CD2 4.22Å; V198-L351 HydrophobicContact CG1-CD2 3.83Å; V198-L351 HydrophobicContact CG2-CD2 3.56Å
199R93.8Very high90.8Very high64 Ų6436.3 Ų36.324%0.24219%0.188CC..EExtended strand (participates in β ladder)trans-101.2131.9170.2-179.9169.1175.2-134.84.4109.6C201 E240 V241 V242 I349 T350 Y352R199-C201 PolarHBondContact NE-SG 3.41Å; R199-E240 IonicContact CZ-OE2 3.18Å; R199-E240 IonicContact NE-OE2 2.88Å; R199-E240 PolarHBondContact NE-OE2 2.93Å; R199-E240 IonicContact NH2-OE2 2.65Å; R199-E240 PolarHBondContact NH2-OE2 3.3Å; R199-V241 WeakPolarHBondContact CA-O 3.46Å; R199-V242 HydrophobicContact CB-CG2 4.08Å; R199-V242 HydrophobicContact CG-CG2 3.9Å; R199-I349 CarbonylContact O-C 3.59Å; R199-I349 WeakPolarHBondContact O-CA 3.3Å; R199-T350 PolarHBondContact N-O 2.6Å; R199-T350 PolarHBondContact O-N 2.73Å; R199-Y352 HydrophobicContact CB-CE2 3.88Å
200V94.4Very high90.9Very high2 Ų234.5 Ų34.51%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-122.4120.9171.4-178.30000108.1V198 L203 L211 E240 V241 F259 I349V198-V200 HydrophobicContact CG1-CG2 4.14Å; V200-L203 HydrophobicContact CB-CD1 4.18Å; V200-L203 HydrophobicContact CG1-CD1 3.94Å; V200-L203 HydrophobicContact CG1-CD2 4.27Å; V200-L203 HydrophobicContact CG1-CG 3.97Å; V200-L211 HydrophobicContact CB-CD2 4.02Å; V200-L211 HydrophobicContact CG1-CD2 4.38Å; V200-L211 HydrophobicContact CG2-CD2 3.74Å; V200-E240 CarbonylContact O-C 3.57Å; V200-E240 WeakPolarHBondContact O-CA 3.19Å; V200-V241 HydrophobicContact CB-CG1 4.2Å; V200-V241 PolarHBondContact N-O 3.07Å; V200-V241 PolarHBondContact O-N 3.36Å; V200-F259 HydrophobicContact CG2-CD1 4.24Å; V200-F259 HydrophobicContact CG2-CE1 3.67Å; V200-I349 HydrophobicContact CG1-CG1 4.12Å; V200-I349 HydrophobicContact CG2-CD1 4.33Å; V200-I349 HydrophobicContact CG2-CG1 4.02Å; V200-I349 HydrophobicContact CG2-CG2 4.32Å
201C93.4Very high91.2Very high13 Ų1331.5 Ų31.59%0.08817%0.17CC..EExtended strand (participates in β ladder)trans-107.4164.1172.8-59.10000109.9R199 N239 E240 C347 N348R199-C201 PolarHBondContact NE-SG 3.41Å; C201-N239 CarbonylContact C-O 3.52Å; C201-E240 HydrophobicContact CB-CB 4.41Å; C201-E240 PolarHBondContact SG-OE2 3.46Å; C201-C347 VanDerWaalsContact O-CA 3.28Å; C201-C347 WeakPolarHBondContact O-CA 3.48Å; C201-N348 PolarHBondContact N-O 3.14Å; C201-N348 PolarHBondContact O-N 3.1Å
202G92.5Very high91.5Very high2 Ų231.2 Ų31.22%0.02117%0.168CC..EExtended strand (participates in β ladder)trans74.133.1178.700000113.5N239 L343 T344G202-N239 PolarHBondContact N-O 3.05Å; G202-L343 CarbonylContact O-C 3.52Å; G202-L343 WeakPolarHBondContact O-CA 3.25Å; G202-T344 VanDerWaalsContact CA-OG1 3.24Å; G202-T344 WeakPolarHBondContact CA-OG1 3.49Å; G202-T344 PolarHBondContact O-N 3.44Å; G202-T344 PolarHBondContact O-OG1 2.66Å
203L92Very high91.7Very high4 Ų429.5 Ų29.52%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-80.5136.6171.5-73.9153.3000110.3V200 Y205 I236 N239 V241 L343V200-L203 HydrophobicContact CB-CD1 4.18Å; V200-L203 HydrophobicContact CG1-CD1 3.94Å; V200-L203 HydrophobicContact CG1-CD2 4.27Å; V200-L203 HydrophobicContact CG1-CG 3.97Å; L203-Y205 PolarHBondContact O-N 2.99Å; L203-I236 HydrophobicContact CD1-CD1 4.1Å; L203-I236 HydrophobicContact CD1-CG2 4.41Å; L203-N239 PolarHBondContact N-O 3.38Å; L203-N239 WeakPolarHBondContact O-CA 3.42Å; L203-V241 HydrophobicContact CD1-CB 4.16Å; L203-V241 HydrophobicContact CD1-CG1 3.61Å; L203-L343 HydrophobicContact CD2-CD2 3.92Å
204Q88.5Confident92Very high102 Ų10231.3 Ų31.348%0.47717%0.166SC..PPolyproline II helixtrans-68.7120.7170.5-172.167.833.400108.9L206 F342Q204-L206 PolarHBondContact O-N 3.48Å; Q204-F342 PolarHBondContact N-O 2.94Å
205Y84.1Confident92.2Very high128 Ų12829.9 Ų29.950%0.50216%0.159SC..PPolyproline II helixtrans-63.8127.8177.4178.1-100.9000111L203 P207L203-Y205 PolarHBondContact O-N 2.99Å; Y205-P207 HydrophobicContact CE1-CG 3.92Å
206L86.6Confident92.2Very high59 Ų5931.6 Ų31.631%0.30917%0.166SC..  trans-148.8121.1174.3179.869000107.5Q204 G208 L209 H263Q204-L206 PolarHBondContact O-N 3.48Å; L206-G208 PolarHBondContact O-N 2.8Å; L206-L209 HydrophobicContact CB-CB 4.08Å; L206-L209 HydrophobicContact CB-CD2 4.33Å; L206-L209 WeakPolarHBondContact O-CB 3.27Å; L206-L209 PolarHBondContact O-N 3.46Å; L206-H263 HydrophobicContact CD2-CB 4.08Å; L206-H263 VanDerWaalsContact CD2-CD2 3.49Å; L206-H263 WeakPolarHBondContact CD2-CD2 3.4Å
207P86.7Confident92.3Very high81 Ų8131 Ų3153%0.52616%0.163SC..THydrogen-bonded Turntrans-55.8129-175.8-27.435.1000112.8Y205 L209 H263Y205-P207 HydrophobicContact CE1-CG 3.92Å; P207-L209 VanDerWaalsContact C-N 3.26Å; P207-L209 PolarHBondContact O-N 3.04Å; P207-H263 PolarHBondContact O-CD2 3.11Å; P207-H263 VanDerWaalsContact O-CD2 3.27Å; P207-H263 PolarHBondContact O-NE2 2.6Å
208G89.5Confident92Very high48 Ų4832 Ų3250%0.49517%0.167SC..THydrogen-bonded Turntrans74.410-179.100000115.1L206L206-G208 PolarHBondContact O-N 2.8Å
209L91.9Very high91Very high2 Ų233.7 Ų33.71%0.0118%0.176CC..  trans-64.9133.6169.4-179.667000110.6L206 P207 I236 A261 H263 F342L206-L209 HydrophobicContact CB-CB 4.08Å; L206-L209 HydrophobicContact CB-CD2 4.33Å; L206-L209 WeakPolarHBondContact O-CB 3.27Å; L206-L209 PolarHBondContact O-N 3.46Å; P207-L209 VanDerWaalsContact C-N 3.26Å; P207-L209 PolarHBondContact O-N 3.04Å; L209-I236 HydrophobicContact CB-CD1 4.46Å; L209-I236 HydrophobicContact CD2-CD1 4.01Å; L209-I236 HydrophobicContact CG-CD1 3.88Å; L209-I236 WeakPolarHBondContact O-CG1 3.34Å; L209-I236 PolarHBondContact O-N 3.03Å; L209-A261 HydrophobicContact CD1-CB 3.97Å; L209-H263 HydrophobicContact CD1-CB 4.03Å; L209-F342 HydrophobicContact CD1-CD1 4.23Å; L209-F342 HydrophobicContact CD1-CE1 4.24Å; L209-F342 HydrophobicContact CD2-CD1 4.45Å
210L93.9Very high89.7Confident37 Ų3734.3 Ų34.319%0.19419%0.19CC..EExtended strand (participates in β ladder)trans-120.1145.9174.8-61.4168.2000109.3S233 P235 R262L210-S233 WeakPolarHBondContact CD2-O 3.38Å; L210-P235 HydrophobicContact CD2-CB 4.39Å; L210-P235 HydrophobicContact CD2-CG 4.06Å; L210-R262 HydrophobicContact CB-CB 4.35Å; L210-R262 VanDerWaalsContact CD1-NH1 3.34Å; L210-R262 PolarHBondContact N-O 2.67Å; L210-R262 PolarHBondContact O-N 2.88Å
211L94.7Very high88.2Confident1 Ų138.7 Ų38.71%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-109.2118.9176.2-176.268.1000109.7V200 S232 S233 I236 V241 I243 F259 I270V200-L211 HydrophobicContact CB-CD2 4.02Å; V200-L211 HydrophobicContact CG1-CD2 4.38Å; V200-L211 HydrophobicContact CG2-CD2 3.74Å; L211-S232 CarbonylContact O-C 3.5Å; L211-S232 WeakPolarHBondContact O-CA 3.24Å; L211-S233 PolarHBondContact N-OG 2.85Å; L211-S233 PolarHBondContact O-N 3.2Å; L211-I236 HydrophobicContact CB-CD1 3.98Å; L211-V241 HydrophobicContact CB-CG1 4.49Å; L211-V241 HydrophobicContact CD2-CG1 3.66Å; L211-I243 HydrophobicContact CD2-CD1 4.18Å; L211-I243 HydrophobicContact CG-CD1 4.38Å; L211-F259 HydrophobicContact CD1-CB 4.27Å; L211-F259 HydrophobicContact CD1-CD1 4.2Å; L211-F259 HydrophobicContact CD2-CD1 4.12Å; L211-F259 HydrophobicContact CG-CD1 4.34Å; L211-I270 HydrophobicContact CD1-CD1 3.72Å
212D94.7Very high86.7Confident13 Ų1342.8 Ų42.87%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-98.1135.1173.9-68.8-24.7000111.4F231 S232 F259 Y260 R262D212-F231 CarbonylContact C-O 3.59Å; D212-F231 WeakPolarHBondContact CA-O 3.28Å; D212-S232 VanDerWaalsContact OD1-CB 3.3Å; D212-S232 WeakPolarHBondContact OD1-CB 3.43Å; D212-S232 PolarHBondContact OD1-OG 2.68Å; D212-F259 CarbonylContact O-C 3.59Å; D212-F259 WeakPolarHBondContact O-CA 3.34Å; D212-Y260 PolarHBondContact N-O 2.84Å; D212-Y260 PolarHBondContact O-N 3.43Å; D212-R262 IonicContact OD1-CZ 3.35Å; D212-R262 IonicContact OD1-NE 3.47Å; D212-R262 IonicContact OD1-NH2 3.9Å; D212-R262 PolarHBondContact OD1-NH2 3.26Å; D212-R262 IonicContact OD2-CZ 3.83Å; D212-R262 IonicContact OD2-NE 3.28Å; D212-R262 PolarHBondContact OD2-NE 3.43Å; D212-R262 IonicContact OD2-NH2 3.59Å; D212-R262 PolarHBondContact OD2-NH2 3.05Å
213L95.9Very high85.5Confident1 Ų145.5 Ų45.51%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-111.9131.8175.9-162.384.8000109.3V198 L215 T230 F231 I243 V257 K258 F259V198-L213 HydrophobicContact CG1-CD1 4.28Å; V198-L213 HydrophobicContact CG2-CD2 3.83Å; L213-L215 HydrophobicContact CD2-CD2 4Å; L213-L215 HydrophobicContact CD2-CG 4.24Å; L213-T230 CarbonylContact O-C 3.56Å; L213-T230 VanDerWaalsContact O-CA 3.27Å; L213-T230 WeakPolarHBondContact O-CA 3.41Å; L213-F231 HydrophobicContact CB-CB 4.22Å; L213-F231 HydrophobicContact CB-CD2 4.18Å; L213-F231 HydrophobicContact CD2-CD2 3.79Å; L213-F231 HydrophobicContact CD2-CE2 4.35Å; L213-F231 HydrophobicContact CG-CD2 4.49Å; L213-F231 PolarHBondContact N-O 3.29Å; L213-F231 PolarHBondContact O-N 3.5Å; L213-I243 HydrophobicContact CB-CD1 4.45Å; L213-V257 HydrophobicContact CD1-CG1 3.36Å; L213-V257 HydrophobicContact CD2-CG1 4.3Å; L213-V257 HydrophobicContact CG-CG1 3.83Å; L213-K258 WeakPolarHBondContact CA-O 3.33Å; L213-F259 HydrophobicContact CD1-CD1 3.55Å; L213-F259 HydrophobicContact CD1-CD2 4.42Å; L213-F259 HydrophobicContact CD1-CE1 3.08Å; L213-F259 HydrophobicContact CD1-CE2 4.02Å; L213-F259 HydrophobicContact CD1-CG 4.2Å; L213-F259 HydrophobicContact CD1-CZ 3.33Å
214Q96.4Very high84.6Confident42 Ų4251.2 Ų51.220%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-123.1125.8167.2-61.4179.2-21.400109.7Y216 T230 V257 K258 Y260Q214-Y216 HydrophobicContact CB-CD2 4.39Å; Q214-Y216 HydrophobicContact CB-CE2 3.74Å; Q214-Y216 PolarHBondContact OE1-OH 3.33Å; Q214-T230 HydrophobicContact CG-CG2 4.02Å; Q214-V257 WeakPolarHBondContact O-CA 3.42Å; Q214-K258 HydrophobicContact CB-CB 4.36Å; Q214-K258 PolarHBondContact N-O 2.91Å; Q214-K258 PolarHBondContact O-N 3.05Å; Q214-Y260 HydrophobicContact CG-CE2 4.39Å
215L95.8Very high84.4Confident1 Ų148.5 Ų48.51%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-98.5135.6174.8-60.9179.6000109.8L195 L213 N227 C228 A229 F231 I249 L251 R256 V257L195-L215 HydrophobicContact CD2-CD1 3.61Å; L195-L215 HydrophobicContact CD2-CD2 4.29Å; L213-L215 HydrophobicContact CD2-CD2 4Å; L213-L215 HydrophobicContact CD2-CG 4.24Å; L215-N227 CarbonylContact O-C 3.59Å; L215-N227 WeakPolarHBondContact O-CA 3.45Å; L215-N227 PolarHBondContact O-OD1 3.07Å; L215-C228 VanDerWaalsContact CB-SG 3.55Å; L215-C228 PolarHBondContact O-N 2.92Å; L215-A229 HydrophobicContact CB-CB 4.49Å; L215-A229 HydrophobicContact CD1-CB 4.25Å; L215-A229 PolarHBondContact N-O 2.68Å; L215-F231 HydrophobicContact CD1-CE2 3.86Å; L215-F231 HydrophobicContact CG-CE2 4.28Å; L215-I249 HydrophobicContact CD1-CG2 4.19Å; L215-L251 HydrophobicContact CD1-CD1 4.49Å; L215-L251 HydrophobicContact CD1-CD2 4.36Å; L215-R256 WeakPolarHBondContact CA-O 3.45Å; L215-V257 HydrophobicContact CD2-CB 4.22Å; L215-V257 HydrophobicContact CD2-CG1 3.89Å; L215-V257 HydrophobicContact CD2-CG2 3.71Å
216Y94.6Very high84.5Confident37 Ų3747 Ų4715%0.14526%0.264CS..EExtended strand (participates in β ladder)trans-128.2142.1172.9-64.4-108.2000110.6Q214 E225 Q226 N227 V255 R256 K258Q214-Y216 HydrophobicContact CB-CD2 4.39Å; Q214-Y216 HydrophobicContact CB-CE2 3.74Å; Q214-Y216 PolarHBondContact OE1-OH 3.33Å; Y216-E225 HydrophobicContact CD1-CG 4.21Å; Y216-Q226 WeakPolarHBondContact CA-O 3.2Å; Y216-N227 HydrophobicContact CD1-CB 4.05Å; Y216-N227 HydrophobicContact CE1-CB 3.74Å; Y216-V255 WeakPolarHBondContact O-CA 3.37Å; Y216-R256 PolarHBondContact N-O 3.24Å; Y216-R256 PolarHBondContact O-N 2.77Å; Y216-K258 HydrophobicContact CE2-CD 3.82Å; Y216-K258 HydrophobicContact CE2-CG 4.3Å; Y216-K258 VanDerWaalsContact CZ-NZ 3.29Å; Y216-K258 PolarHBondContact OH-NZ 3.15Å
217T92.1Very high84.6Confident14 Ų1447.4 Ų47.49%0.08627%0.266CS..EExtended strand (participates in β ladder)trans-138.1159.9176.649.20000110E225 Q226 L251 V255T217-E225 CarbonylContact O-C 3.58Å; T217-E225 WeakPolarHBondContact O-CA 3.48Å; T217-Q226 PolarHBondContact N-O 2.9Å; T217-Q226 PolarHBondContact O-N 2.9Å; T217-L251 HydrophobicContact CG2-CD2 3.77Å; T217-V255 HydrophobicContact CG2-CG1 4.32Å; T217-V255 HydrophobicContact CG2-CG2 4.11Å
218F85.5Confident84.8Confident21 Ų2146.1 Ų46.19%0.09226%0.259CS..EExtended strand (participates in β ladder)trans-91.4135.5166.4-56.3-87.4000109.3Q97 V223 E225 F252 D254 W274Q97-F218 HydrophobicContact CG-CD1 4.13Å; Q97-F218 HydrophobicContact CG-CD2 3.63Å; Q97-F218 HydrophobicContact CG-CE1 4.04Å; Q97-F218 HydrophobicContact CG-CE2 3.51Å; Q97-F218 HydrophobicContact CG-CG 3.93Å; Q97-F218 HydrophobicContact CG-CZ 3.72Å; F218-V223 WeakPolarHBondContact CD1-O 3.28Å; F218-V223 VanDerWaalsContact CE1-O 3.26Å; F218-V223 WeakPolarHBondContact CE1-O 3.47Å; F218-E225 HydrophobicContact CD1-CB 4.09Å; F218-E225 HydrophobicContact CE1-CB 3.87Å; F218-E225 HydrophobicContact CZ-CB 4.22Å; F218-F252 WeakPolarHBondContact O-CE2 3.43Å; F218-D254 HydrophobicContact CD2-CB 4.04Å; F218-D254 HydrophobicContact CE2-CB 3.98Å; F218-W274 HydrophobicContact CD2-CZ3 4.43Å; F218-W274 AromaticContact CE2-CH2 3.62Å; F218-W274 HydrophobicContact CE2-CH2 3.62Å; F218-W274 AromaticContact CE2-CZ3 3.48Å; F218-W274 HydrophobicContact CE2-CZ3 3.48Å; F218-W274 VanDerWaalsContact CE2-CZ3 3.48Å; F218-W274 AromaticContact CZ-CH2 3.63Å; F218-W274 HydrophobicContact CZ-CH2 3.63Å; F218-W274 HydrophobicContact CZ-CZ3 4Å
219D74.2Confident85Confident36 Ų3644.5 Ų44.519%0.19324%0.241CC..  trans-77.3173.5164.870.664.4000110.9S221 H222 Q226D219-S221 PolarHBondContact O-N 3.44Å; D219-S221 VanDerWaalsContact OD1-CA 3.3Å; D219-S221 WeakPolarHBondContact OD1-CA 3.34Å; D219-S221 WeakPolarHBondContact OD1-CB 3.48Å; D219-S221 PolarHBondContact OD1-N 3.39Å; D219-S221 PolarHBondContact OD1-OG 2.9Å; D219-H222 IonicContact OD1-CG 3.63Å; D219-H222 PolarHBondContact OD1-N 3.31Å; D219-H222 IonicContact OD1-ND1 3.23Å; D219-H222 PolarHBondContact OD1-ND1 3.41Å; D219-H222 IonicContact OD2-CE1 3.81Å; D219-H222 IonicContact OD2-CG 3.85Å; D219-H222 IonicContact OD2-ND1 2.94Å; D219-H222 PolarHBondContact OD2-ND1 2.85Å; D219-Q226 PolarHBondContact OD2-NE2 3.01Å
220S65.7Low85.1Confident77 Ų7748 Ų4854%0.53826%0.262SS..SBendtrans-72.3-11.5-178.343.40000114.1D385S220-D385 WeakPolarHBondContact CB-OD1 3.43Å
221S63.6Low85Confident94 Ų9447.8 Ų47.866%0.65726%0.26SS*.SBendtrans-113.5-16.9-174.464.60000115.2D219D219-S221 PolarHBondContact O-N 3.44Å; D219-S221 VanDerWaalsContact OD1-CA 3.3Å; D219-S221 WeakPolarHBondContact OD1-CA 3.34Å; D219-S221 WeakPolarHBondContact OD1-CB 3.48Å; D219-S221 PolarHBondContact OD1-N 3.39Å; D219-S221 PolarHBondContact OD1-OG 2.9Å
222H62.1Low84.9Confident98 Ų9850.5 Ų50.545%0.45428%0.279SS..  trans-110.6134-177.1-66.281.3000113.2D219 F224D219-H222 IonicContact OD1-CG 3.63Å; D219-H222 PolarHBondContact OD1-N 3.31Å; D219-H222 IonicContact OD1-ND1 3.23Å; D219-H222 PolarHBondContact OD1-ND1 3.41Å; D219-H222 IonicContact OD2-CE1 3.81Å; D219-H222 IonicContact OD2-CG 3.85Å; D219-H222 IonicContact OD2-ND1 2.94Å; D219-H222 PolarHBondContact OD2-ND1 2.85Å; H222-F224 PolarHBondContact O-N 3.41Å
223V66.4Low84.8Confident59 Ų5950.4 Ų50.436%0.35828%0.28SS..SBendtrans-67.8-23.9170.1-177.10000111.5P89 Q97 F218P89-V223 HydrophobicContact CG-CG1 4.41Å; Q97-V223 PolarHBondContact NE2-O 2.86Å; F218-V223 WeakPolarHBondContact CD1-O 3.28Å; F218-V223 VanDerWaalsContact CE1-O 3.26Å; F218-V223 WeakPolarHBondContact CE1-O 3.47Å
224F73Confident84.5Confident124 Ų12457.7 Ų57.754%0.54431%0.314SS..SBendtrans-97.8143.5-178.1-57-71.5000112.1D72 H222D72-F224 HydrophobicContact CB-CE1 4.45Å; H222-F224 PolarHBondContact O-N 3.41Å
225E85.1Confident84.1Confident46 Ų4658.2 Ų58.222%0.21532%0.321CS..EExtended strand (participates in β ladder)trans-71.4152.7175.561.3-178.417100112.7Y216 T217 F218 R256 W274Y216-E225 HydrophobicContact CD1-CG 4.21Å; T217-E225 CarbonylContact O-C 3.58Å; T217-E225 WeakPolarHBondContact O-CA 3.48Å; F218-E225 HydrophobicContact CD1-CB 4.09Å; F218-E225 HydrophobicContact CE1-CB 3.87Å; F218-E225 HydrophobicContact CZ-CB 4.22Å; E225-R256 VanDerWaalsContact CD-NH1 3.35Å; E225-R256 IonicContact OE1-CZ 3.75Å; E225-R256 IonicContact OE1-NH1 2.76Å; E225-R256 PolarHBondContact OE1-NH1 3.06Å; E225-R256 IonicContact OE1-NH2 2.73Å; E225-R256 PolarHBondContact OE1-NH2 3.25Å; E225-R256 IonicContact OE2-CZ 2.87Å; E225-R256 IonicContact OE2-NE 3.17Å; E225-R256 PolarHBondContact OE2-NE 2.87Å; E225-R256 IonicContact OE2-NH1 3.43Å; E225-R256 PolarHBondContact OE2-NH1 3.28Å; E225-R256 IonicContact OE2-NH2 2.76Å; E225-R256 PolarHBondContact OE2-NH2 3.28Å; E225-W274 WeakPolarHBondContact OE2-CH2 3.2Å
226Q85.9Confident83.6Confident95 Ų9558.4 Ų58.444%0.44432%0.321SS..EExtended strand (participates in β ladder)trans-127.6146.3175.7-65.9174.319.900110.3Y216 T217 D219 C228Y216-Q226 WeakPolarHBondContact CA-O 3.2Å; T217-Q226 PolarHBondContact N-O 2.9Å; T217-Q226 PolarHBondContact O-N 2.9Å; D219-Q226 PolarHBondContact OD2-NE2 3.01Å; Q226-C228 PolarHBondContact O-N 3.44Å
227N90Very high82.9Confident68 Ų6863.6 Ų63.636%0.36435%0.347SS..EExtended strand (participates in β ladder)trans-72.8110.9173.9-176.9-30.9000108.7L215 Y216 A229 T230L215-N227 CarbonylContact O-C 3.59Å; L215-N227 WeakPolarHBondContact O-CA 3.45Å; L215-N227 PolarHBondContact O-OD1 3.07Å; Y216-N227 HydrophobicContact CD1-CB 4.05Å; Y216-N227 HydrophobicContact CE1-CB 3.74Å; N227-A229 VanDerWaalsContact OD1-C 3.27Å; N227-A229 PolarHBondContact OD1-N 3.05Å; N227-A229 PolarHBondContact OD1-O 3.43Å; N227-A229 VanDerWaalsContact OD1-O 3.08Å; N227-T230 PolarHBondContact ND2-OG1 3.5Å; N227-T230 VanDerWaalsContact ND2-OG1 3.08Å; N227-T230 PolarHBondContact OD1-OG1 3.42Å
228C90.4Very high82.4Confident54 Ų5468.9 Ų68.937%0.36537%0.37SS..EExtended strand (participates in β ladder)trans-92.9-22.4-17861.30000113.1L215 Q226L215-C228 VanDerWaalsContact CB-SG 3.55Å; L215-C228 PolarHBondContact O-N 2.92Å; Q226-C228 PolarHBondContact O-N 3.44Å
229A92.5Very high82.6Confident14 Ų1472.7 Ų72.712%0.11639%0.392CS..EExtended strand (participates in β ladder)trans-162.6151.7172.600000113L215 N227 F231 I249L215-A229 HydrophobicContact CB-CB 4.49Å; L215-A229 HydrophobicContact CD1-CB 4.25Å; L215-A229 PolarHBondContact N-O 2.68Å; N227-A229 VanDerWaalsContact OD1-C 3.27Å; N227-A229 PolarHBondContact OD1-N 3.05Å; N227-A229 PolarHBondContact OD1-O 3.43Å; N227-A229 VanDerWaalsContact OD1-O 3.08Å; A229-F231 HydrophobicContact CB-CE1 4.5Å; A229-F231 HydrophobicContact CB-CE2 3.52Å; A229-F231 HydrophobicContact CB-CZ 3.45Å; A229-F231 VanDerWaalsContact CB-CZ 3.45Å; A229-I249 HydrophobicContact CB-CD1 4.07Å; A229-I249 HydrophobicContact CB-CG1 4.39Å; A229-I249 HydrophobicContact CB-CG2 4.39Å
230T93.9Very high83.4Confident76 Ų7674 Ų7447%0.46640%0.397SS..EExtended strand (participates in β ladder)trans-133137.6173.2-62.50000110.4L213 Q214 N227L213-T230 CarbonylContact O-C 3.56Å; L213-T230 VanDerWaalsContact O-CA 3.27Å; L213-T230 WeakPolarHBondContact O-CA 3.41Å; Q214-T230 HydrophobicContact CG-CG2 4.02Å; N227-T230 PolarHBondContact ND2-OG1 3.5Å; N227-T230 VanDerWaalsContact ND2-OG1 3.08Å; N227-T230 PolarHBondContact OD1-OG1 3.42Å
231F92.2Very high84.6Confident32 Ų3271.1 Ų71.114%0.1438%0.376CS..EExtended strand (participates in β ladder)trans-133153.8-179-49.3-83.2000110.6D212 L213 L215 A229 I243 P245 I249D212-F231 CarbonylContact C-O 3.59Å; D212-F231 WeakPolarHBondContact CA-O 3.28Å; L213-F231 HydrophobicContact CB-CB 4.22Å; L213-F231 HydrophobicContact CB-CD2 4.18Å; L213-F231 HydrophobicContact CD2-CD2 3.79Å; L213-F231 HydrophobicContact CD2-CE2 4.35Å; L213-F231 HydrophobicContact CG-CD2 4.49Å; L213-F231 PolarHBondContact N-O 3.29Å; L213-F231 PolarHBondContact O-N 3.5Å; L215-F231 HydrophobicContact CD1-CE2 3.86Å; L215-F231 HydrophobicContact CG-CE2 4.28Å; A229-F231 HydrophobicContact CB-CE1 4.5Å; A229-F231 HydrophobicContact CB-CE2 3.52Å; A229-F231 HydrophobicContact CB-CZ 3.45Å; A229-F231 VanDerWaalsContact CB-CZ 3.45Å; F231-I243 HydrophobicContact CB-CG2 3.82Å; F231-I243 HydrophobicContact CG-CG2 4.36Å; F231-P245 HydrophobicContact CD1-CB 4.4Å; F231-P245 HydrophobicContact CE1-CB 3.67Å; F231-P245 HydrophobicContact CE1-CG 4.08Å; F231-P245 HydrophobicContact CZ-CB 3.97Å; F231-P245 HydrophobicContact CZ-CG 4.05Å; F231-I249 HydrophobicContact CE1-CD1 4.41Å; F231-I249 HydrophobicContact CE1-CG1 4.49Å; F231-I249 HydrophobicContact CE2-CG1 4.45Å; F231-I249 HydrophobicContact CZ-CD1 3.81Å; F231-I249 HydrophobicContact CZ-CG1 3.65Å
232S93.1Very high86Confident59 Ų5969.6 Ų69.641%0.41336%0.362SS..EExtended strand (participates in β ladder)trans-118.2147.9164.2-64.80000109L211 D212 R262L211-S232 CarbonylContact O-C 3.5Å; L211-S232 WeakPolarHBondContact O-CA 3.24Å; D212-S232 VanDerWaalsContact OD1-CB 3.3Å; D212-S232 WeakPolarHBondContact OD1-CB 3.43Å; D212-S232 PolarHBondContact OD1-OG 2.68Å; S232-R262 PolarHBondContact OG-NH2 3.48Å
233S92.8Very high87.5Confident11 Ų1165.3 Ų65.38%0.07734%0.343CS..PPolyproline II helixtrans-73.9164.8164.773.80000111.9L210 L211L210-S233 WeakPolarHBondContact CD2-O 3.38Å; L211-S233 PolarHBondContact N-OG 2.85Å; L211-S233 PolarHBondContact O-N 3.2Å
234E89.4Confident88.7Confident154 Ų15468 Ų6872%0.7235%0.35SS*.PPolyproline II helixtrans-65.6165.7154.2-65.1-55145.500110.7I236E234-I236 PolarHBondContact O-N 3.27Å
235P87.7Confident89.4Confident53 Ų5362.8 Ų62.834%0.34433%0.329SS..PPolyproline II helixtrans-50.9131173.8-28.136000112.6L210 H237L210-P235 HydrophobicContact CD2-CB 4.39Å; L210-P235 HydrophobicContact CD2-CG 4.06Å; P235-H237 PolarHBondContact O-CD2 3.48Å; P235-H237 PolarHBondContact O-N 3.45Å; P235-H237 PolarHBondContact O-NE2 3.49Å
236I86.2Confident89.4Confident4 Ų471.2 Ų71.22%0.02137%0.365CS..  trans-78.6106.9-174.7-62169000109.2L203 L209 L211 E234 Q238 V241L203-I236 HydrophobicContact CD1-CD1 4.1Å; L203-I236 HydrophobicContact CD1-CG2 4.41Å; L209-I236 HydrophobicContact CB-CD1 4.46Å; L209-I236 HydrophobicContact CD2-CD1 4.01Å; L209-I236 HydrophobicContact CG-CD1 3.88Å; L209-I236 WeakPolarHBondContact O-CG1 3.34Å; L209-I236 PolarHBondContact O-N 3.03Å; L211-I236 HydrophobicContact CB-CD1 3.98Å; E234-I236 PolarHBondContact O-N 3.27Å; I236-Q238 WeakPolarHBondContact CG2-O 3.39Å; I236-V241 HydrophobicContact CG1-CB 4.31Å; I236-V241 HydrophobicContact CG1-CG2 4.28Å
237H78.3Confident89.3Confident146 Ų14673.7 Ų73.768%0.67638%0.376SS*.  trans-92.5-13.9-177.1-63.1-61.8000114.4P235P235-H237 PolarHBondContact O-CD2 3.48Å; P235-H237 PolarHBondContact O-N 3.45Å; P235-H237 PolarHBondContact O-NE2 3.49Å
238Q82.6Confident88.8Confident125 Ų12574.2 Ų74.258%0.58438%0.379SS*.SBendtrans-138.3-169.4-177.1-65.4-172.4-5.300110.2I236 E240I236-Q238 WeakPolarHBondContact CG2-O 3.39Å; Q238-E240 PolarHBondContact O-N 2.84Å
239N89Confident88.8Confident101 Ų10172.4 Ų72.454%0.5437%0.365SS..SBendtrans-79.28.1173.268.1-13000113.5C201 G202 L203C201-N239 CarbonylContact C-O 3.52Å; G202-N239 PolarHBondContact N-O 3.05Å; L203-N239 PolarHBondContact N-O 3.38Å; L203-N239 WeakPolarHBondContact O-CA 3.42Å
240E90.8Very high88.7Confident63 Ų6374.8 Ų74.829%0.29438%0.376SS..EExtended strand (participates in β ladder)trans-140.1161.3178.767.9166.2-167.300113.3R199 V200 C201 Q238R199-E240 IonicContact CZ-OE2 3.18Å; R199-E240 IonicContact NE-OE2 2.88Å; R199-E240 PolarHBondContact NE-OE2 2.93Å; R199-E240 IonicContact NH2-OE2 2.65Å; R199-E240 PolarHBondContact NH2-OE2 3.3Å; V200-E240 CarbonylContact O-C 3.57Å; V200-E240 WeakPolarHBondContact O-CA 3.19Å; C201-E240 HydrophobicContact CB-CB 4.41Å; C201-E240 PolarHBondContact SG-OE2 3.46Å; Q238-E240 PolarHBondContact O-N 2.84Å
241V92.3Very high88.7Confident18 Ų1871.2 Ų71.211%0.10935%0.354CS..EExtended strand (participates in β ladder)trans-149.5146.117474.20000111R199 V200 L203 L211 I236R199-V241 WeakPolarHBondContact CA-O 3.46Å; V200-V241 HydrophobicContact CB-CG1 4.2Å; V200-V241 PolarHBondContact N-O 3.07Å; V200-V241 PolarHBondContact O-N 3.36Å; L203-V241 HydrophobicContact CD1-CB 4.16Å; L203-V241 HydrophobicContact CD1-CG1 3.61Å; L211-V241 HydrophobicContact CB-CG1 4.49Å; L211-V241 HydrophobicContact CD2-CG1 3.66Å; I236-V241 HydrophobicContact CG1-CB 4.31Å; I236-V241 HydrophobicContact CG1-CG2 4.28Å
242V92.9Very high88.5Confident61 Ų6173.1 Ų73.137%0.3736%0.362SS..EExtended strand (participates in β ladder)trans-121.4112.3174.3-176.50000109A197 V198 R199 K244 L320A197-V242 HydrophobicContact CB-CG1 4.42Å; V198-V242 CarbonylContact O-C 3.53Å; V198-V242 WeakPolarHBondContact O-CA 3.38Å; R199-V242 HydrophobicContact CB-CG2 4.08Å; R199-V242 HydrophobicContact CG-CG2 3.9Å; V242-K244 HydrophobicContact CG1-CG 4.33Å; V242-L320 HydrophobicContact CG1-CD2 4.41Å
243I93Very high88.5Confident8 Ų870.4 Ų70.44%0.04134%0.343CS..EExtended strand (participates in β ladder)trans-93.4122.9175-56.5176.2000107.9A197 V198 L211 L213 F231A197-I243 CarbonylContact C-O 3.58Å; A197-I243 WeakPolarHBondContact CA-O 3.35Å; V198-I243 HydrophobicContact CB-CB 4.48Å; V198-I243 PolarHBondContact N-O 3.1Å; V198-I243 PolarHBondContact O-N 3.02Å; L211-I243 HydrophobicContact CD2-CD1 4.18Å; L211-I243 HydrophobicContact CG-CD1 4.38Å; L213-I243 HydrophobicContact CB-CD1 4.45Å; F231-I243 HydrophobicContact CB-CG2 3.82Å; F231-I243 HydrophobicContact CG-CG2 4.36Å
244K91.4Very high88.6Confident115 Ų11570 Ų7050%0.534%0.34SS..  trans-111.2120.9172.2-65.8-176.1179.1-1760108.8A197 V242A197-K244 HydrophobicContact CB-CG 4.23Å; V242-K244 HydrophobicContact CG1-CG 4.33Å
245P87.9Confident88.9Confident16 Ų1662.7 Ų62.710%0.10431%0.306CS..  trans-53.9142170.5-28.338.2000111.7F231 Q247 I249F231-P245 HydrophobicContact CD1-CB 4.4Å; F231-P245 HydrophobicContact CE1-CB 3.67Å; F231-P245 HydrophobicContact CE1-CG 4.08Å; F231-P245 HydrophobicContact CZ-CB 3.97Å; F231-P245 HydrophobicContact CZ-CG 4.05Å; P245-Q247 WeakPolarHBondContact CB-O 3.14Å; P245-Q247 PolarHBondContact O-N 2.85Å; P245-I249 HydrophobicContact CB-CG1 4.02Å; P245-I249 HydrophobicContact CG-CG1 4.26Å
246K85.2Confident89.4Confident223 Ų22360.6 Ų60.697%0.9729%0.291SS*.SBendtrans-68.1-24.4176-69.8-175.8177.6-1800112.9
247Q83.6Confident89.9Confident147 Ų14760.5 Ų60.569%0.68729%0.291SS*.SBendtrans-136.1143.9174.668-169.62200107.3P245 I249P245-Q247 WeakPolarHBondContact CB-O 3.14Å; P245-Q247 PolarHBondContact O-N 2.85Å; Q247-I249 HydrophobicContact CG-CD1 4.02Å; Q247-I249 WeakPolarHBondContact O-CD1 3.02Å; Q247-I249 PolarHBondContact O-N 3.39Å
248D80.6Confident90.8Very high79 Ų7954.7 Ų54.742%0.42226%0.264SS..  trans-62.8129.1178.5-67.7-39.2000110F194 I359F194-D248 HydrophobicContact CB-CB 4.19Å; F194-D248 HydrophobicContact CD1-CB 3.56Å; F194-D248 HydrophobicContact CE1-CB 4.21Å; F194-D248 HydrophobicContact CG-CB 4.14Å; D248-I359 HydrophobicContact CB-CD1 4.35Å
249I89.6Confident91.4Very high15 Ų1548.8 Ų48.88%0.07724%0.236CC..EExtended strand (participates in β ladder)trans-98.6114.2-175.8-51.6-62.8000109.8F194 L195 L215 A229 F231 P245 Q247 L251F194-I249 CarbonylContact C-O 3.6Å; F194-I249 VanDerWaalsContact CA-O 3.28Å; F194-I249 WeakPolarHBondContact CA-O 3.48Å; L195-I249 HydrophobicContact CB-CB 4.46Å; L195-I249 PolarHBondContact N-O 3.14Å; L215-I249 HydrophobicContact CD1-CG2 4.19Å; A229-I249 HydrophobicContact CB-CD1 4.07Å; A229-I249 HydrophobicContact CB-CG1 4.39Å; A229-I249 HydrophobicContact CB-CG2 4.39Å; F231-I249 HydrophobicContact CE1-CD1 4.41Å; F231-I249 HydrophobicContact CE1-CG1 4.49Å; F231-I249 HydrophobicContact CE2-CG1 4.45Å; F231-I249 HydrophobicContact CZ-CD1 3.81Å; F231-I249 HydrophobicContact CZ-CG1 3.65Å; P245-I249 HydrophobicContact CB-CG1 4.02Å; P245-I249 HydrophobicContact CG-CG1 4.26Å; Q247-I249 HydrophobicContact CG-CD1 4.02Å; Q247-I249 WeakPolarHBondContact O-CD1 3.02Å; Q247-I249 PolarHBondContact O-N 3.39Å; I249-L251 HydrophobicContact CG2-CD2 3.98Å; I249-L251 HydrophobicContact CG2-CG 4.28Å; I249-L251 PolarHBondContact O-N 3.25Å
250L91.1Very high91.7Very high65 Ų6546.2 Ų46.234%0.3422%0.219SC..EExtended strand (participates in β ladder)trans-72.6125.1174-170.363.1000110.4P192 F194 P356P192-L250 HydrophobicContact CB-CD1 3.83Å; F194-L250 HydrophobicContact CD1-CB 4.1Å; F194-L250 HydrophobicContact CD1-CD1 4.25Å; F194-L250 HydrophobicContact CD2-CD1 4.08Å; F194-L250 HydrophobicContact CE1-CB 3.78Å; F194-L250 HydrophobicContact CE1-CD1 4.04Å; F194-L250 HydrophobicContact CE1-CG 4.44Å; F194-L250 HydrophobicContact CE2-CD1 3.86Å; F194-L250 HydrophobicContact CG-CD1 4.3Å; F194-L250 HydrophobicContact CZ-CB 4.3Å; F194-L250 HydrophobicContact CZ-CD1 3.85Å; L250-P356 HydrophobicContact CD1-CG 4.4Å
251L92.5Very high91.9Very high1 Ų143.3 Ų43.31%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-125.2146.4177.7-60.3172.7000109.4P192 L193 L195 L215 T217 I249 V255 F275 T277 F353P192-L251 WeakPolarHBondContact CA-O 3.48Å; L193-L251 PolarHBondContact N-O 3.5Å; L193-L251 PolarHBondContact O-N 2.84Å; L195-L251 HydrophobicContact CB-CD1 3.82Å; L215-L251 HydrophobicContact CD1-CD1 4.49Å; L215-L251 HydrophobicContact CD1-CD2 4.36Å; T217-L251 HydrophobicContact CG2-CD2 3.77Å; I249-L251 HydrophobicContact CG2-CD2 3.98Å; I249-L251 HydrophobicContact CG2-CG 4.28Å; I249-L251 PolarHBondContact O-N 3.25Å; L251-V255 HydrophobicContact CB-CG2 4.02Å; L251-V255 HydrophobicContact CD1-CG1 4.16Å; L251-V255 HydrophobicContact CD1-CG2 4.38Å; L251-V255 HydrophobicContact CD2-CG1 4.22Å; L251-V255 HydrophobicContact CD2-CG2 4.48Å; L251-F275 HydrophobicContact CD1-CZ 4.25Å; L251-T277 HydrophobicContact CB-CG2 4.17Å; L251-F353 HydrophobicContact CD1-CE1 4.23Å
252F88.7Confident91.9Very high72 Ų7246.3 Ų46.332%0.31622%0.215SC..  trans-150.8146.4-179.551.4-96.5000110.4R190 F218R190-F252 HydrophobicContact CB-CB 4.34Å; F218-F252 WeakPolarHBondContact O-CE2 3.43Å
253G92.9Very high91.8Very high1 Ų146.5 Ų46.51%0.0121%0.212CC..SBendtrans63.6-137.5-176.700000112.9N276 T277G253-N276 WeakPolarHBondContact O-CA 3.26Å; G253-T277 PolarHBondContact N-OG1 3.05Å; G253-T277 PolarHBondContact O-N 2.91Å; G253-T277 PolarHBondContact O-OG1 2.69Å; G253-T277 VanDerWaalsContact O-OG1 3.08Å
254D95.3Very high91.5Very high3 Ų354.2 Ų54.22%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-81.4128.4-179.2-57.5-60.7000112.5Q97 F98 Y174 F218 W274 N276Q97-D254 WeakPolarHBondContact CA-OD2 3.46Å; Q97-D254 WeakPolarHBondContact CB-OD2 3.48Å; F98-D254 PolarHBondContact N-OD2 3.16Å; Y174-D254 WeakPolarHBondContact CE1-OD1 3.39Å; Y174-D254 PolarHBondContact OH-OD1 2.92Å; F218-D254 HydrophobicContact CD2-CB 4.04Å; F218-D254 HydrophobicContact CE2-CB 3.98Å; D254-W274 HydrophobicContact CB-CE3 4.43Å; D254-W274 HydrophobicContact CB-CZ3 4.33Å; D254-N276 WeakPolarHBondContact OD1-CB 3.31Å; D254-N276 PolarHBondContact OD1-ND2 3.45Å
255V96Very high91.1Very high0 Ų057.1 Ų57.10%027%0.265CS..EExtended strand (participates in β ladder)trans-126.4128.7-176.5-1730000109.5Y216 T217 L251 V257 W274 F275 T277Y216-V255 WeakPolarHBondContact O-CA 3.37Å; T217-V255 HydrophobicContact CG2-CG1 4.32Å; T217-V255 HydrophobicContact CG2-CG2 4.11Å; L251-V255 HydrophobicContact CB-CG2 4.02Å; L251-V255 HydrophobicContact CD1-CG1 4.16Å; L251-V255 HydrophobicContact CD1-CG2 4.38Å; L251-V255 HydrophobicContact CD2-CG1 4.22Å; L251-V255 HydrophobicContact CD2-CG2 4.48Å; V255-V257 HydrophobicContact CG1-CG2 4.48Å; V255-W274 WeakPolarHBondContact O-CA 3.4Å; V255-F275 HydrophobicContact CB-CD1 4.02Å; V255-F275 HydrophobicContact CB-CE1 3.52Å; V255-F275 HydrophobicContact CB-CE2 4.12Å; V255-F275 HydrophobicContact CB-CZ 3.57Å; V255-F275 HydrophobicContact CG1-CD1 4.41Å; V255-F275 HydrophobicContact CG1-CE1 3.56Å; V255-F275 HydrophobicContact CG1-CZ 3.75Å; V255-F275 HydrophobicContact CG2-CE1 4.25Å; V255-F275 HydrophobicContact CG2-CE2 4.01Å; V255-F275 HydrophobicContact CG2-CZ 3.76Å; V255-F275 PolarHBondContact N-O 2.68Å; V255-F275 PolarHBondContact O-N 2.71Å; V255-T277 HydrophobicContact CG2-CG2 4.02Å
256R96.7Very high91.2Very high10 Ų1060 Ų604%0.03828%0.279CS..EExtended strand (participates in β ladder)trans-101.7137.3166.3-166.9-179.158.8-161.4-7.6110.8N94 L215 Y216 E225 K258 L273 W274N94-R256 PolarHBondContact OD1-NH1 3.45Å; L215-R256 WeakPolarHBondContact CA-O 3.45Å; Y216-R256 PolarHBondContact N-O 3.24Å; Y216-R256 PolarHBondContact O-N 2.77Å; E225-R256 VanDerWaalsContact CD-NH1 3.35Å; E225-R256 IonicContact OE1-CZ 3.75Å; E225-R256 IonicContact OE1-NH1 2.76Å; E225-R256 PolarHBondContact OE1-NH1 3.06Å; E225-R256 IonicContact OE1-NH2 2.73Å; E225-R256 PolarHBondContact OE1-NH2 3.25Å; E225-R256 IonicContact OE2-CZ 2.87Å; E225-R256 IonicContact OE2-NE 3.17Å; E225-R256 PolarHBondContact OE2-NE 2.87Å; E225-R256 IonicContact OE2-NH1 3.43Å; E225-R256 PolarHBondContact OE2-NH1 3.28Å; E225-R256 IonicContact OE2-NH2 2.76Å; E225-R256 PolarHBondContact OE2-NH2 3.28Å; R256-K258 VanDerWaalsContact NE-CE 3.32Å; R256-L273 CarbonylContact C-O 3.52Å; R256-L273 WeakPolarHBondContact CA-O 3.47Å; R256-L273 WeakPolarHBondContact CG-O 3.47Å; R256-W274 HydrophobicContact CB-CD2 3.66Å; R256-W274 HydrophobicContact CB-CE3 3.71Å; R256-W274 HydrophobicContact CB-CG 4.34Å; R256-W274 HydrophobicContact CB-CH2 3.76Å; R256-W274 HydrophobicContact CB-CZ2 3.73Å; R256-W274 HydrophobicContact CB-CZ3 3.74Å; R256-W274 HydrophobicContact CG-CD2 3.94Å; R256-W274 HydrophobicContact CG-CG 4.23Å; R256-W274 HydrophobicContact CG-CZ2 4.04Å
257V97Very high91.5Very high1 Ų154 Ų541%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-117123.3171.4-167.40000108.6L213 Q214 L215 V255 F259 Q272 L273 F275 L351L213-V257 HydrophobicContact CD1-CG1 3.36Å; L213-V257 HydrophobicContact CD2-CG1 4.3Å; L213-V257 HydrophobicContact CG-CG1 3.83Å; Q214-V257 WeakPolarHBondContact O-CA 3.42Å; L215-V257 HydrophobicContact CD2-CB 4.22Å; L215-V257 HydrophobicContact CD2-CG1 3.89Å; L215-V257 HydrophobicContact CD2-CG2 3.71Å; V255-V257 HydrophobicContact CG1-CG2 4.48Å; V257-F259 HydrophobicContact CB-CE2 3.98Å; V257-F259 HydrophobicContact CG1-CD2 4.13Å; V257-F259 HydrophobicContact CG1-CE2 3.36Å; V257-F259 HydrophobicContact CG1-CZ 3.6Å; V257-Q272 CarbonylContact O-C 3.48Å; V257-Q272 WeakPolarHBondContact O-CA 3.47Å; V257-Q272 WeakPolarHBondContact O-CB 3.25Å; V257-L273 HydrophobicContact CB-CD1 4.19Å; V257-L273 HydrophobicContact CB-CG 4.05Å; V257-L273 HydrophobicContact CG2-CD1 3.94Å; V257-L273 HydrophobicContact CG2-CG 4.37Å; V257-L273 PolarHBondContact N-O 3.43Å; V257-L273 PolarHBondContact O-N 3.06Å; V257-F275 HydrophobicContact CG2-CD1 4.24Å; V257-F275 HydrophobicContact CG2-CE1 3.78Å; V257-L351 HydrophobicContact CG2-CD1 4.14Å
258K96.9Very high91.9Very high25 Ų2552 Ų5211%0.10925%0.247CC..EExtended strand (participates in β ladder)trans-106.1141.2170.1-60.8179.7-170.7159.10110.1L213 Q214 Y216 R256 Y260 K269 Q272L213-K258 WeakPolarHBondContact CA-O 3.33Å; Q214-K258 HydrophobicContact CB-CB 4.36Å; Q214-K258 PolarHBondContact N-O 2.91Å; Q214-K258 PolarHBondContact O-N 3.05Å; Y216-K258 HydrophobicContact CE2-CD 3.82Å; Y216-K258 HydrophobicContact CE2-CG 4.3Å; Y216-K258 VanDerWaalsContact CZ-NZ 3.29Å; Y216-K258 PolarHBondContact OH-NZ 3.15Å; R256-K258 VanDerWaalsContact NE-CE 3.32Å; K258-Y260 HydrophobicContact CB-CD2 4.28Å; K258-Y260 HydrophobicContact CB-CE2 3.63Å; K258-Y260 HydrophobicContact CD-CE2 3.98Å; K258-Y260 HydrophobicContact CG-CE2 4.47Å; K258-K269 HydrophobicContact CD-CD 4.27Å; K258-K269 HydrophobicContact CG-CD 4.42Å; K258-Q272 HydrophobicContact CG-CB 4.16Å
259F96.4Very high92.6Very high1 Ų151.4 Ų51.40%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-117.9130.5175.9-64.9-98.2000110V198 V200 L211 D212 L213 V257 K269 I270 C271 L273 I349V198-F259 HydrophobicContact CG1-CE1 3.98Å; V198-F259 HydrophobicContact CG1-CZ 4.13Å; V200-F259 HydrophobicContact CG2-CD1 4.24Å; V200-F259 HydrophobicContact CG2-CE1 3.67Å; L211-F259 HydrophobicContact CD1-CB 4.27Å; L211-F259 HydrophobicContact CD1-CD1 4.2Å; L211-F259 HydrophobicContact CD2-CD1 4.12Å; L211-F259 HydrophobicContact CG-CD1 4.34Å; D212-F259 CarbonylContact O-C 3.59Å; D212-F259 WeakPolarHBondContact O-CA 3.34Å; L213-F259 HydrophobicContact CD1-CD1 3.55Å; L213-F259 HydrophobicContact CD1-CD2 4.42Å; L213-F259 HydrophobicContact CD1-CE1 3.08Å; L213-F259 HydrophobicContact CD1-CE2 4.02Å; L213-F259 HydrophobicContact CD1-CG 4.2Å; L213-F259 HydrophobicContact CD1-CZ 3.33Å; V257-F259 HydrophobicContact CB-CE2 3.98Å; V257-F259 HydrophobicContact CG1-CD2 4.13Å; V257-F259 HydrophobicContact CG1-CE2 3.36Å; V257-F259 HydrophobicContact CG1-CZ 3.6Å; F259-K269 CarbonylContact O-C 3.58Å; F259-K269 WeakPolarHBondContact O-CA 3.34Å; F259-I270 HydrophobicContact CB-CD1 4.33Å; F259-I270 HydrophobicContact CB-CG1 3.87Å; F259-I270 WeakPolarHBondContact O-CG1 3.28Å; F259-I270 PolarHBondContact O-N 2.93Å; F259-C271 VanDerWaalsContact CD2-SG 3.53Å; F259-C271 PolarHBondContact N-O 3.19Å; F259-L273 HydrophobicContact CE2-CD2 3.83Å; F259-I349 HydrophobicContact CD1-CD1 4.29Å; F259-I349 HydrophobicContact CD2-CD1 3.97Å; F259-I349 HydrophobicContact CE1-CD1 3.94Å; F259-I349 HydrophobicContact CE1-CG2 4.27Å; F259-I349 HydrophobicContact CE2-CD1 3.63Å; F259-I349 HydrophobicContact CE2-CG2 4.29Å; F259-I349 HydrophobicContact CG-CD1 4.3Å; F259-I349 HydrophobicContact CZ-CD1 3.62Å; F259-I349 HydrophobicContact CZ-CG2 3.61Å
260Y95.4Very high92.8Very high46 Ų4651 Ų5118%0.1824%0.238CC..EExtended strand (participates in β ladder)trans-123.3133.6175.7-60.9-116.2000110.6D212 Q214 K258 N267 K268 K269D212-Y260 PolarHBondContact N-O 2.84Å; D212-Y260 PolarHBondContact O-N 3.43Å; Q214-Y260 HydrophobicContact CG-CE2 4.39Å; K258-Y260 HydrophobicContact CB-CD2 4.28Å; K258-Y260 HydrophobicContact CB-CE2 3.63Å; K258-Y260 HydrophobicContact CD-CE2 3.98Å; K258-Y260 HydrophobicContact CG-CE2 4.47Å; Y260-N267 VanDerWaalsContact CB-OD1 3.32Å; Y260-N267 WeakPolarHBondContact CB-OD1 3.42Å; Y260-K268 CarbonylContact C-O 3.54Å; Y260-K268 WeakPolarHBondContact CA-O 3.49Å; Y260-K269 HydrophobicContact CD1-CB 3.82Å; Y260-K269 VanDerWaalsContact CD1-N 3.35Å; Y260-K269 HydrophobicContact CE1-CB 3.67Å; Y260-K269 HydrophobicContact CE1-CG 4.34Å; Y260-K269 HydrophobicContact CE2-CG 4.36Å; Y260-K269 HydrophobicContact CG-CB 4.3Å
261A93.9Very high93Very high2 Ų248 Ų482%0.01722%0.222CC..EExtended strand (participates in β ladder)trans-86122.416800000108.8L209 K268 I270 F342L209-A261 HydrophobicContact CD1-CB 3.97Å; A261-K268 PolarHBondContact N-O 3.38Å; A261-K268 PolarHBondContact O-N 3.36Å; A261-I270 HydrophobicContact CB-CD1 4.42Å; A261-I270 HydrophobicContact CB-CG2 3.44Å; A261-I270 VanDerWaalsContact CB-CG2 3.44Å; A261-F342 HydrophobicContact CB-CB 4.37Å; A261-F342 HydrophobicContact CB-CD1 3.63Å; A261-F342 HydrophobicContact CB-CD2 4.08Å; A261-F342 HydrophobicContact CB-CE1 3.86Å; A261-F342 HydrophobicContact CB-CE2 4.29Å; A261-F342 HydrophobicContact CB-CG 3.76Å; A261-F342 HydrophobicContact CB-CZ 4.18Å
262R93.7Very high93.2Very high82 Ų8248.7 Ų48.731%0.30923%0.226SC..EExtended strand (participates in β ladder)trans-116122.1178.2-162.3-150.2-55.5156.3-14.6110.2L210 D212 S232 L266 N267L210-R262 HydrophobicContact CB-CB 4.35Å; L210-R262 VanDerWaalsContact CD1-NH1 3.34Å; L210-R262 PolarHBondContact N-O 2.67Å; L210-R262 PolarHBondContact O-N 2.88Å; D212-R262 IonicContact OD1-CZ 3.35Å; D212-R262 IonicContact OD1-NE 3.47Å; D212-R262 IonicContact OD1-NH2 3.9Å; D212-R262 PolarHBondContact OD1-NH2 3.26Å; D212-R262 IonicContact OD2-CZ 3.83Å; D212-R262 IonicContact OD2-NE 3.28Å; D212-R262 PolarHBondContact OD2-NE 3.43Å; D212-R262 IonicContact OD2-NH2 3.59Å; D212-R262 PolarHBondContact OD2-NH2 3.05Å; S232-R262 PolarHBondContact OG-NH2 3.48Å; R262-L266 CarbonylContact C-O 3.57Å; R262-L266 VanDerWaalsContact CA-O 3.28Å; R262-L266 WeakPolarHBondContact CA-O 3.08Å; R262-N267 HydrophobicContact CG-CB 4.3Å
263H90.6Very high93.6Very high65 Ų6545.2 Ų45.230%0.30121%0.211SC..EExtended strand (participates in β ladder)trans-153.7120.9179.1173.9-84.6000109.9L206 P207 L209 M265 L266L206-H263 HydrophobicContact CD2-CB 4.08Å; L206-H263 VanDerWaalsContact CD2-CD2 3.49Å; L206-H263 WeakPolarHBondContact CD2-CD2 3.4Å; P207-H263 PolarHBondContact O-CD2 3.11Å; P207-H263 VanDerWaalsContact O-CD2 3.27Å; P207-H263 PolarHBondContact O-NE2 2.6Å; L209-H263 HydrophobicContact CD1-CB 4.03Å; H263-M265 PolarHBondContact O-N 2.89Å; H263-L266 PolarHBondContact N-O 2.63Å; H263-L266 WeakPolarHBondContact O-CB 3.45Å; H263-L266 PolarHBondContact O-N 3.41Å
264H86.4Confident93.8Very high169 Ų16945.3 Ų45.378%0.78221%0.211SC*.THydrogen-bonded Turntrans50.7-133.1-169.8-168.7-112.7000110.6L266H264-L266 PolarHBondContact O-N 2.68Å
265M83.5Confident93.9Very high176 Ų17645.2 Ų45.287%0.86721%0.21SC*.THydrogen-bonded Turntrans-75.9-1.9175.9-64.1178.611200114.6H263H263-M265 PolarHBondContact O-N 2.89Å
266L88.3Confident93.9Very high78 Ų7845.2 Ų45.241%0.40821%0.21SC..EExtended strand (participates in β ladder)trans-89.6124.4177.9-178129.6000110.5R262 H263 H264 K268 F342R262-L266 CarbonylContact C-O 3.57Å; R262-L266 VanDerWaalsContact CA-O 3.28Å; R262-L266 WeakPolarHBondContact CA-O 3.08Å; H263-L266 PolarHBondContact N-O 2.63Å; H263-L266 WeakPolarHBondContact O-CB 3.45Å; H263-L266 PolarHBondContact O-N 3.41Å; H264-L266 PolarHBondContact O-N 2.68Å; L266-K268 HydrophobicContact CD2-CB 3.92Å; L266-K268 HydrophobicContact CG-CB 4.27Å; L266-F342 HydrophobicContact CD2-CE1 4.38Å; L266-F342 HydrophobicContact CD2-CE2 4.34Å; L266-F342 HydrophobicContact CD2-CZ 3.63Å
267N92Very high93.7Very high95 Ų9544.8 Ų44.851%0.50821%0.208SC..EExtended strand (participates in β ladder)trans-128.2103.7166.1-176.64.6000109Y260 R262Y260-N267 VanDerWaalsContact CB-OD1 3.32Å; Y260-N267 WeakPolarHBondContact CB-OD1 3.42Å; R262-N267 HydrophobicContact CG-CB 4.3Å
268K92.8Very high93.5Very high107 Ų10745 Ų4547%0.46521%0.209SC..EExtended strand (participates in β ladder)trans-125.8124.1-170.3-174.3170.2-178172.20111.8Y260 A261 L266 I270 F342Y260-K268 CarbonylContact C-O 3.54Å; Y260-K268 WeakPolarHBondContact CA-O 3.49Å; A261-K268 PolarHBondContact N-O 3.38Å; A261-K268 PolarHBondContact O-N 3.36Å; L266-K268 HydrophobicContact CD2-CB 3.92Å; L266-K268 HydrophobicContact CG-CB 4.27Å; K268-I270 WeakPolarHBondContact O-CG2 3.49Å; K268-I270 PolarHBondContact O-N 3.01Å; K268-I270 VanDerWaalsContact O-N 3.11Å; K268-F342 HydrophobicContact CD-CE2 4.32Å
269K94.2Very high93.3Very high66 Ų6643.8 Ų43.829%0.28720%0.204SC..EExtended strand (participates in β ladder)trans-59.5113.7170.2-169.717470.6173.40109.9K258 F259 Y260 K334K258-K269 HydrophobicContact CD-CD 4.27Å; K258-K269 HydrophobicContact CG-CD 4.42Å; F259-K269 CarbonylContact O-C 3.58Å; F259-K269 WeakPolarHBondContact O-CA 3.34Å; Y260-K269 HydrophobicContact CD1-CB 3.82Å; Y260-K269 VanDerWaalsContact CD1-N 3.35Å; Y260-K269 HydrophobicContact CE1-CB 3.67Å; Y260-K269 HydrophobicContact CE1-CG 4.34Å; Y260-K269 HydrophobicContact CE2-CG 4.36Å; Y260-K269 HydrophobicContact CG-CB 4.3Å; K269-K334 PolarHBondContact O-NZ 2.63Å
270I94.3Very high93Very high7 Ų743.8 Ų43.84%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-91.2-42-177.659.5179.7000112L211 F259 A261 K268 F342 L343L211-I270 HydrophobicContact CD1-CD1 3.72Å; F259-I270 HydrophobicContact CB-CD1 4.33Å; F259-I270 HydrophobicContact CB-CG1 3.87Å; F259-I270 WeakPolarHBondContact O-CG1 3.28Å; F259-I270 PolarHBondContact O-N 2.93Å; A261-I270 HydrophobicContact CB-CD1 4.42Å; A261-I270 HydrophobicContact CB-CG2 3.44Å; A261-I270 VanDerWaalsContact CB-CG2 3.44Å; K268-I270 WeakPolarHBondContact O-CG2 3.49Å; K268-I270 PolarHBondContact O-N 3.01Å; K268-I270 VanDerWaalsContact O-N 3.11Å; I270-F342 HydrophobicContact CG2-CB 3.83Å; I270-F342 HydrophobicContact CG2-CD2 3.58Å; I270-F342 HydrophobicContact CG2-CE2 4.41Å; I270-F342 HydrophobicContact CG2-CG 3.87Å; I270-L343 HydrophobicContact CD1-CD1 4.41Å; I270-L343 HydrophobicContact CD1-CD2 3.92Å; I270-L343 HydrophobicContact CD1-CG 4.23Å; I270-L343 HydrophobicContact CG1-CD1 4.47Å
271C95.7Very high92.4Very high1 Ų142.2 Ų42.21%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-152.6171.317469.60000111.1F259 L332 D333 A335 L343F259-C271 VanDerWaalsContact CD2-SG 3.53Å; F259-C271 PolarHBondContact N-O 3.19Å; C271-L332 HydrophobicContact CB-CB 4.13Å; C271-D333 WeakPolarHBondContact CA-O 3.38Å; C271-D333 WeakPolarHBondContact CB-O 3.32Å; C271-A335 HydrophobicContact CB-CB 3.75Å; C271-L343 HydrophobicContact CB-CD1 4.24Å
272Q96.6Very high91.4Very high15 Ų1543 Ų437%0.0720%0.202CC..EExtended strand (participates in β ladder)trans-147.2167.8164.766.7-17942.400109V257 K258 D333V257-Q272 CarbonylContact O-C 3.48Å; V257-Q272 WeakPolarHBondContact O-CA 3.47Å; V257-Q272 WeakPolarHBondContact O-CB 3.25Å; K258-Q272 HydrophobicContact CG-CB 4.16Å; Q272-D333 HydrophobicContact CG-CB 3.63Å; Q272-D333 PolarHBondContact N-O 3.11Å; Q272-D333 VanDerWaalsContact O-CB 3.31Å; Q272-D333 WeakPolarHBondContact O-CB 3.42Å; Q272-D333 PolarHBondContact O-N 2.85Å
273L96.9Very high89.9Confident0 Ų039.2 Ų39.20%019%0.189CC..EExtended strand (participates in β ladder)trans-151.7150.9172.963.496.5000110.2R256 V257 F259 F275 L327 L332 I349 L351R256-L273 CarbonylContact C-O 3.52Å; R256-L273 WeakPolarHBondContact CA-O 3.47Å; R256-L273 WeakPolarHBondContact CG-O 3.47Å; V257-L273 HydrophobicContact CB-CD1 4.19Å; V257-L273 HydrophobicContact CB-CG 4.05Å; V257-L273 HydrophobicContact CG2-CD1 3.94Å; V257-L273 HydrophobicContact CG2-CG 4.37Å; V257-L273 PolarHBondContact N-O 3.43Å; V257-L273 PolarHBondContact O-N 3.06Å; F259-L273 HydrophobicContact CE2-CD2 3.83Å; L273-F275 HydrophobicContact CD1-CD1 3.77Å; L273-L327 HydrophobicContact CB-CD1 4.23Å; L273-L327 HydrophobicContact CD1-CD1 3.85Å; L273-L327 HydrophobicContact CD2-CD1 3.88Å; L273-L327 HydrophobicContact CG-CD1 4.19Å; L273-L332 HydrophobicContact CB-CD2 4.29Å; L273-L332 HydrophobicContact CD2-CD2 3.63Å; L273-I349 HydrophobicContact CD2-CG2 4.33Å; L273-L351 HydrophobicContact CD1-CD1 4.2Å
274W97.4Very high88Confident3 Ų343 Ų431%0.01121%0.207CC..EExtended strand (participates in β ladder)trans-107.9139.6164.6-72.688.9000110.4N94 A95 S170 R173 Y174 F218 E225 D254 V255 R256N94-W274 HydrophobicContact CB-CZ2 4.11Å; N94-W274 PolarHBondContact OD1-NE1 3.46Å; A95-W274 HydrophobicContact CB-CB 4.13Å; A95-W274 HydrophobicContact CB-CD2 4.46Å; A95-W274 HydrophobicContact CB-CG 4.01Å; S170-W274 PolarHBondContact OG-N 3.39Å; R173-W274 PolarHBondContact NH1-O 2.94Å; Y174-W274 HydrophobicContact CE2-CB 3.72Å; F218-W274 HydrophobicContact CD2-CZ3 4.43Å; F218-W274 AromaticContact CE2-CH2 3.62Å; F218-W274 HydrophobicContact CE2-CH2 3.62Å; F218-W274 AromaticContact CE2-CZ3 3.48Å; F218-W274 HydrophobicContact CE2-CZ3 3.48Å; F218-W274 VanDerWaalsContact CE2-CZ3 3.48Å; F218-W274 AromaticContact CZ-CH2 3.63Å; F218-W274 HydrophobicContact CZ-CH2 3.63Å; F218-W274 HydrophobicContact CZ-CZ3 4Å; E225-W274 WeakPolarHBondContact OE2-CH2 3.2Å; D254-W274 HydrophobicContact CB-CE3 4.43Å; D254-W274 HydrophobicContact CB-CZ3 4.33Å; V255-W274 WeakPolarHBondContact O-CA 3.4Å; R256-W274 HydrophobicContact CB-CD2 3.66Å; R256-W274 HydrophobicContact CB-CE3 3.71Å; R256-W274 HydrophobicContact CB-CG 4.34Å; R256-W274 HydrophobicContact CB-CH2 3.76Å; R256-W274 HydrophobicContact CB-CZ2 3.73Å; R256-W274 HydrophobicContact CB-CZ3 3.74Å; R256-W274 HydrophobicContact CG-CD2 3.94Å; R256-W274 HydrophobicContact CG-CG 4.23Å; R256-W274 HydrophobicContact CG-CZ2 4.04Å
275F96.6Very high85.9Confident1 Ų136.4 Ų36.40%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-139.5166.4166.973.3-84.2000109.5Y174 L251 V255 V257 L273 T277 V280 L325 L351 F353Y174-F275 PolarHBondContact OH-O 3.22Å; L251-F275 HydrophobicContact CD1-CZ 4.25Å; V255-F275 HydrophobicContact CB-CD1 4.02Å; V255-F275 HydrophobicContact CB-CE1 3.52Å; V255-F275 HydrophobicContact CB-CE2 4.12Å; V255-F275 HydrophobicContact CB-CZ 3.57Å; V255-F275 HydrophobicContact CG1-CD1 4.41Å; V255-F275 HydrophobicContact CG1-CE1 3.56Å; V255-F275 HydrophobicContact CG1-CZ 3.75Å; V255-F275 HydrophobicContact CG2-CE1 4.25Å; V255-F275 HydrophobicContact CG2-CE2 4.01Å; V255-F275 HydrophobicContact CG2-CZ 3.76Å; V255-F275 PolarHBondContact N-O 2.68Å; V255-F275 PolarHBondContact O-N 2.71Å; V257-F275 HydrophobicContact CG2-CD1 4.24Å; V257-F275 HydrophobicContact CG2-CE1 3.78Å; L273-F275 HydrophobicContact CD1-CD1 3.77Å; F275-T277 HydrophobicContact CE2-CG2 4.14Å; F275-V280 HydrophobicContact CD2-CG2 3.65Å; F275-V280 HydrophobicContact CE2-CG2 3.94Å; F275-L325 HydrophobicContact CB-CD2 3.41Å; F275-L325 VanDerWaalsContact CB-CD2 3.41Å; F275-L325 HydrophobicContact CD1-CD2 4.31Å; F275-L325 HydrophobicContact CD2-CD2 4.08Å; F275-L325 HydrophobicContact CG-CD2 3.69Å; F275-L351 HydrophobicContact CD1-CD1 3.78Å; F275-L351 HydrophobicContact CE1-CD1 3.48Å; F275-L351 VanDerWaalsContact CE1-CD1 3.48Å; F275-L351 HydrophobicContact CZ-CD1 4.08Å; F275-F353 HydrophobicContact CD2-CZ 4.38Å; F275-F353 HydrophobicContact CE1-CZ 4.3Å; F275-F353 AromaticContact CE2-CE1 3.86Å; F275-F353 HydrophobicContact CE2-CE1 3.86Å; F275-F353 HydrophobicContact CE2-CE2 4.42Å; F275-F353 AromaticContact CE2-CZ 3.5Å; F275-F353 HydrophobicContact CE2-CZ 3.5Å; F275-F353 VanDerWaalsContact CE2-CZ 3.5Å; F275-F353 AromaticContact CZ-CE1 3.71Å; F275-F353 HydrophobicContact CZ-CE1 3.71Å; F275-F353 AromaticContact CZ-CZ 3.45Å; F275-F353 HydrophobicContact CZ-CZ 3.45Å; F275-F353 VanDerWaalsContact CZ-CZ 3.45Å
276N95.6Very high83.3Confident0 Ų032 Ų320%017%0.171CC..EExtended strand (participates in β ladder)trans-122.9130.3173.8179.1-56000108.9Y177 Y188 G253 D254 Y278 F279 V280Y177-N276 HydrophobicContact CD2-CB 4.23Å; Y177-N276 HydrophobicContact CE2-CB 3.87Å; Y188-N276 PolarHBondContact OH-ND2 2.95Å; G253-N276 WeakPolarHBondContact O-CA 3.26Å; D254-N276 WeakPolarHBondContact OD1-CB 3.31Å; D254-N276 PolarHBondContact OD1-ND2 3.45Å; N276-Y278 PolarHBondContact O-N 3.11Å; N276-Y278 WeakPolarHBondContact OD1-CB 3.31Å; N276-Y278 PolarHBondContact OD1-N 2.92Å; N276-F279 HydrophobicContact CB-CD2 3.92Å; N276-F279 PolarHBondContact O-N 2.84Å; N276-V280 PolarHBondContact O-N 2.7Å
277T93.7Very high80.7Confident0 Ų030.6 Ų30.60%017%0.168CC..Hα-helixtrans-57-31.9-175.448.60000113.8I191 L193 L251 G253 V255 F275 F279 V280I191-T277 WeakPolarHBondContact O-CB 3.44Å; I191-T277 PolarHBondContact O-OG1 3.44Å; L193-T277 HydrophobicContact CB-CG2 4.39Å; L193-T277 HydrophobicContact CD1-CG2 4.25Å; L251-T277 HydrophobicContact CB-CG2 4.17Å; G253-T277 PolarHBondContact N-OG1 3.05Å; G253-T277 PolarHBondContact O-N 2.91Å; G253-T277 PolarHBondContact O-OG1 2.69Å; G253-T277 VanDerWaalsContact O-OG1 3.08Å; V255-T277 HydrophobicContact CG2-CG2 4.02Å; F275-T277 HydrophobicContact CE2-CG2 4.14Å; T277-F279 VanDerWaalsContact C-N 3.32Å; T277-F279 PolarHBondContact O-N 2.89Å; T277-V280 WeakPolarHBondContact O-CB 3.17Å; T277-V280 PolarHBondContact O-N 3.42Å
278Y92.8Very high77.8Confident5 Ų531 Ų312%0.0217%0.17CC..Hα-helixtrans-58.4-45.1174.7-172-96.7000111.6L186 Q187 Y188 H189 I191 N276 V280 V281 H282L186-Y278 HydrophobicContact CB-CE1 4.29Å; L186-Y278 HydrophobicContact CD1-CE1 3.9Å; Q187-Y278 WeakPolarHBondContact O-CE2 3.38Å; Q187-Y278 PolarHBondContact O-OH 3.39Å; Y188-Y278 AromaticContact CD2-CD1 3.96Å; Y188-Y278 HydrophobicContact CD2-CD1 3.96Å; Y188-Y278 HydrophobicContact CD2-CD2 4.13Å; Y188-Y278 HydrophobicContact CD2-CE1 4.49Å; Y188-Y278 AromaticContact CD2-CG 3.76Å; Y188-Y278 HydrophobicContact CD2-CG 3.76Å; Y188-Y278 HydrophobicContact CE2-CG 4.1Å; H189-Y278 AromaticContact CE1-CE2 3.76Å; H189-Y278 AromaticContact ND1-CE2 3.71Å; H189-Y278 WeakPolarHBondContact O-CD2 3.5Å; I191-Y278 HydrophobicContact CD1-CD2 3.46Å; I191-Y278 VanDerWaalsContact CD1-CD2 3.46Å; I191-Y278 HydrophobicContact CD1-CE2 3.9Å; I191-Y278 HydrophobicContact CD1-CG 4.3Å; I191-Y278 HydrophobicContact CG1-CD2 3.84Å; N276-Y278 PolarHBondContact O-N 3.11Å; N276-Y278 WeakPolarHBondContact OD1-CB 3.31Å; N276-Y278 PolarHBondContact OD1-N 2.92Å; Y278-V280 VanDerWaalsContact C-N 3.32Å; Y278-V280 PolarHBondContact O-N 3.14Å; Y278-V281 VanDerWaalsContact O-CG2 3.22Å; Y278-V281 WeakPolarHBondContact O-CG2 2.94Å; Y278-V281 PolarHBondContact O-N 3.13Å; Y278-H282 HydrophobicContact CD1-CB 4.33Å; Y278-H282 AromaticContact CD1-CD2 3.76Å; Y278-H282 AromaticContact CD2-CD2 3.8Å; Y278-H282 HydrophobicContact CE1-CB 4.17Å; Y278-H282 AromaticContact CE1-CD2 3.48Å; Y278-H282 VanDerWaalsContact CE1-CD2 3.48Å; Y278-H282 WeakPolarHBondContact CE1-CD2 3.47Å; Y278-H282 AromaticContact CE1-CG 3.92Å; Y278-H282 AromaticContact CE2-CD2 3.53Å; Y278-H282 AromaticContact CE2-NE2 3.61Å; Y278-H282 AromaticContact CG-CD2 3.91Å; Y278-H282 AromaticContact CZ-CD2 3.35Å; Y278-H282 AromaticContact CZ-NE2 3.58Å; Y278-H282 WeakPolarHBondContact O-CB 3.24Å; Y278-H282 PolarHBondContact O-CD2 3.4Å; Y278-H282 PolarHBondContact O-N 2.9Å
279F92.7Very high74.9Confident0 Ų027.2 Ų27.20%016%0.157CC..Hα-helixtrans-79.3-15.4-176.2-64.6-83.2000113.1F98 Y177 L180 F181 Y188 N276 T277 V281 G283 H575F98-F279 AromaticContact CD1-CE2 3.98Å; F98-F279 HydrophobicContact CD1-CE2 3.98Å; F98-F279 HydrophobicContact CD1-CZ 4.33Å; F98-F279 HydrophobicContact CD2-CE2 4.03Å; F98-F279 HydrophobicContact CD2-CZ 4.43Å; F98-F279 AromaticContact CE1-CE2 3.81Å; F98-F279 HydrophobicContact CE1-CE2 3.81Å; F98-F279 AromaticContact CE1-CZ 3.68Å; F98-F279 HydrophobicContact CE1-CZ 3.68Å; F98-F279 AromaticContact CE2-CE2 3.89Å; F98-F279 HydrophobicContact CE2-CE2 3.89Å; F98-F279 AromaticContact CE2-CZ 3.83Å; F98-F279 HydrophobicContact CE2-CZ 3.83Å; F98-F279 HydrophobicContact CG-CE2 4.08Å; F98-F279 AromaticContact CZ-CE2 3.78Å; F98-F279 HydrophobicContact CZ-CE2 3.78Å; F98-F279 AromaticContact CZ-CZ 3.42Å; F98-F279 HydrophobicContact CZ-CZ 3.42Å; F98-F279 VanDerWaalsContact CZ-CZ 3.42Å; Y177-F279 HydrophobicContact CD1-CB 3.66Å; Y177-F279 AromaticContact CD1-CD1 3.74Å; Y177-F279 HydrophobicContact CD1-CD1 3.74Å; Y177-F279 HydrophobicContact CD1-CD2 4.13Å; Y177-F279 HydrophobicContact CD1-CE1 4.47Å; Y177-F279 AromaticContact CD1-CG 3.54Å; Y177-F279 HydrophobicContact CD1-CG 3.54Å; Y177-F279 HydrophobicContact CD2-CB 4.38Å; Y177-F279 AromaticContact CD2-CD2 3.75Å; Y177-F279 HydrophobicContact CD2-CD2 3.75Å; Y177-F279 HydrophobicContact CD2-CE2 4.25Å; Y177-F279 HydrophobicContact CD2-CG 4.02Å; Y177-F279 HydrophobicContact CE1-CB 3.42Å; Y177-F279 VanDerWaalsContact CE1-CB 3.42Å; Y177-F279 HydrophobicContact CE1-CD1 4.39Å; Y177-F279 AromaticContact CE1-CG 3.86Å; Y177-F279 HydrophobicContact CE1-CG 3.86Å; Y177-F279 HydrophobicContact CE2-CB 4.19Å; Y177-F279 HydrophobicContact CE2-CD2 4.17Å; Y177-F279 HydrophobicContact CE2-CG 4.31Å; Y177-F279 HydrophobicContact CG-CB 4.13Å; Y177-F279 AromaticContact CG-CD1 3.93Å; Y177-F279 HydrophobicContact CG-CD1 3.93Å; Y177-F279 AromaticContact CG-CD2 3.71Å; Y177-F279 HydrophobicContact CG-CD2 3.71Å; Y177-F279 HydrophobicContact CG-CE1 4.3Å; Y177-F279 HydrophobicContact CG-CE2 4.1Å; Y177-F279 AromaticContact CG-CG 3.61Å; Y177-F279 HydrophobicContact CG-CG 3.61Å; Y177-F279 HydrophobicContact CG-CZ 4.38Å; Y177-F279 WeakPolarHBondContact O-CE1 3.35Å; Y177-F279 WeakPolarHBondContact O-CZ 3.46Å; L180-F279 HydrophobicContact CD2-CD1 4.09Å; L180-F279 HydrophobicContact CD2-CE1 4.46Å; F181-F279 HydrophobicContact CB-CE1 4.48Å; F181-F279 HydrophobicContact CB-CZ 4.29Å; Y188-F279 HydrophobicContact CD2-CE2 4.26Å; Y188-F279 HydrophobicContact CE2-CE2 4.37Å; N276-F279 HydrophobicContact CB-CD2 3.92Å; N276-F279 PolarHBondContact O-N 2.84Å; T277-F279 VanDerWaalsContact C-N 3.32Å; T277-F279 PolarHBondContact O-N 2.89Å; F279-V281 VanDerWaalsContact C-N 3.27Å; F279-V281 PolarHBondContact O-N 2.81Å; F279-G283 PolarHBondContact O-N 3.02Å; F279-G283 VanDerWaalsContact O-N 3.08Å; F279-H575 PolarHBondContact O-CE1 2.88Å; F279-H575 PolarHBondContact O-ND1 2.93Å
280V90Very high72.2Confident1 Ų127.6 Ų27.61%0.00616%0.164CC..Hα-helixtrans-63-36168.2179.40000111L193 F275 N276 T277 Y278 F353 F577L193-V280 HydrophobicContact CD1-CB 3.79Å; L193-V280 HydrophobicContact CD1-CG1 3.87Å; L193-V280 HydrophobicContact CD1-CG2 4.33Å; F275-V280 HydrophobicContact CD2-CG2 3.65Å; F275-V280 HydrophobicContact CE2-CG2 3.94Å; N276-V280 PolarHBondContact O-N 2.7Å; T277-V280 WeakPolarHBondContact O-CB 3.17Å; T277-V280 PolarHBondContact O-N 3.42Å; Y278-V280 VanDerWaalsContact C-N 3.32Å; Y278-V280 PolarHBondContact O-N 3.14Å; V280-F353 HydrophobicContact CG1-CD2 3.6Å; V280-F353 HydrophobicContact CG1-CE2 3.9Å; V280-F353 HydrophobicContact CG1-CG 4.29Å; V280-F353 HydrophobicContact CG2-CE2 4.15Å; V280-F353 HydrophobicContact CG2-CZ 4.48Å; V280-F577 WeakPolarHBondContact O-CZ 3.17Å
281V82.2Confident69.1Low13 Ų1331.6 Ų31.68%0.07919%0.193CC..Hα-helixtrans-97.2-22.1179-60.90000114.3I191 L193 Y278 F279 S287 F577I191-V281 HydrophobicContact CD1-CG2 3.52Å; I191-V281 HydrophobicContact CG2-CG2 4.2Å; L193-V281 HydrophobicContact CD1-CG1 4.38Å; L193-V281 HydrophobicContact CD2-CG1 4.09Å; Y278-V281 VanDerWaalsContact O-CG2 3.22Å; Y278-V281 WeakPolarHBondContact O-CG2 2.94Å; Y278-V281 PolarHBondContact O-N 3.13Å; F279-V281 VanDerWaalsContact C-N 3.27Å; F279-V281 PolarHBondContact O-N 2.81Å; V281-S287 VanDerWaalsContact O-CB 3.29Å; V281-S287 WeakPolarHBondContact O-CB 3.3Å; V281-F577 WeakPolarHBondContact O-CZ 3.31Å
282H73.7Confident65.9Low19 Ų1937.7 Ų37.79%0.08824%0.236CC..Hα-helixtrans-101.88.4179.3-73.4-71.2000115.3L186 Y278L186-H282 HydrophobicContact CD1-CB 4.38Å; Y278-H282 HydrophobicContact CD1-CB 4.33Å; Y278-H282 AromaticContact CD1-CD2 3.76Å; Y278-H282 AromaticContact CD2-CD2 3.8Å; Y278-H282 HydrophobicContact CE1-CB 4.17Å; Y278-H282 AromaticContact CE1-CD2 3.48Å; Y278-H282 VanDerWaalsContact CE1-CD2 3.48Å; Y278-H282 WeakPolarHBondContact CE1-CD2 3.47Å; Y278-H282 AromaticContact CE1-CG 3.92Å; Y278-H282 AromaticContact CE2-CD2 3.53Å; Y278-H282 AromaticContact CE2-NE2 3.61Å; Y278-H282 AromaticContact CG-CD2 3.91Å; Y278-H282 AromaticContact CZ-CD2 3.35Å; Y278-H282 AromaticContact CZ-NE2 3.58Å; Y278-H282 WeakPolarHBondContact O-CB 3.24Å; Y278-H282 PolarHBondContact O-CD2 3.4Å; Y278-H282 PolarHBondContact O-N 2.9Å
283G61.9Low62.7Low3 Ų340.3 Ų40.33%0.03126%0.256CS..SBendtrans-58.1162.1-179.700000114.8F279 G285F279-G283 PolarHBondContact O-N 3.02Å; F279-G283 VanDerWaalsContact O-N 3.08Å; G283-G285 VanDerWaalsContact C-N 3.33Å; G283-G285 PolarHBondContact O-N 2.92Å
284E50Low59.7Low144 Ų14449.9 Ų49.967%0.67330%0.297SS*.SBendtrans-64.684.5-177.5-68.1-171.1156.300112.3L180L180-E284 HydrophobicContact CD1-CG 3.62Å; L180-E284 HydrophobicContact CD2-CG 4.35Å
285G42.3Very low56.5Low31 Ų3157.5 Ų57.532%0.3233%0.333SS..SBendtrans177.955.3-173.200000115G283 S287 F577G283-G285 VanDerWaalsContact C-N 3.33Å; G283-G285 PolarHBondContact O-N 2.92Å; G285-S287 PolarHBondContact O-N 3.37Å; G285-F577 WeakPolarHBondContact O-CD2 3.48Å
286S29.2Very low53.2Low83 Ų8360.4 Ų60.458%0.5836%0.364SS*.  trans46.957.9174-630000115.3N288 K579S286-N288 PolarHBondContact O-N 3.1Å; S286-K579 VanDerWaalsContact CB-NZ 3.3Å; S286-K579 WeakPolarHBondContact O-CE 3.28Å; S286-K579 PolarHBondContact O-NZ 3.2Å
287S33.8Very low50.1Low49 Ų4969.2 Ų69.234%0.34340%0.402SS..  trans-63.2104172.944.80000111.2V281 G285 C289V281-S287 VanDerWaalsContact O-CB 3.29Å; V281-S287 WeakPolarHBondContact O-CB 3.3Å; G285-S287 PolarHBondContact O-N 3.37Å; S287-C289 VanDerWaalsContact C-N 3.32Å
288N30.8Very low47.1Very low102 Ų10276.1 Ų76.155%0.54544%0.439SS..  trans-83-15166.9-79.236.1000111.6S286 V290 T303 K579S286-N288 PolarHBondContact O-N 3.1Å; N288-V290 PolarHBondContact O-N 3.4Å; N288-T303 WeakPolarHBondContact O-CG2 3.07Å; N288-T303 PolarHBondContact O-OG1 3.4Å; N288-T303 VanDerWaalsContact O-OG1 3.06Å; N288-K579 PolarHBondContact OD1-NZ 2.73Å
289C33Very low44.5Very low28 Ų2881.6 Ų81.619%0.18947%0.469CS..SBendtrans-93.161.3-171.7530000113.5S287 T303S287-C289 VanDerWaalsContact C-N 3.32Å; C289-T303 WeakPolarHBondContact CA-OG1 3.01Å; C289-T303 WeakPolarHBondContact CB-OG1 3.42Å; C289-T303 PolarHBondContact N-OG1 2.73Å
290V37.4Very low42Very low74 Ų7486.8 Ų86.845%0.44850%0.496SS..SBendtrans-170.3118.2138168.20000104.8I191 N288 S292I191-V290 HydrophobicContact CD1-CG2 4.49Å; N288-V290 PolarHBondContact O-N 3.4Å; V290-S292 PolarHBondContact O-N 2.82Å
291S29.6Very low39.9Very low91 Ų9194.4 Ų94.464%0.63653%0.532SS*.  trans-68.1119172.648.40000110S293S291-S293 PolarHBondContact O-N 2.78Å
292S28.6Very low38.2Very low130 Ų13095.2 Ų95.291%0.90954%0.538SS*.  trans-74.255.517250.40000112.1V290V290-S292 PolarHBondContact O-N 2.82Å
293S29.4Very low36.8Very low70 Ų7097.8 Ų97.849%0.4956%0.555SS.*  trans-97.2122.1171.347.90000109.5S291 E295S291-S293 PolarHBondContact O-N 2.78Å; S293-E295 PolarHBondContact O-N 2.99Å
294K34Very low36.1Very low201 Ų20198.7 Ų98.787%0.87456%0.561SS**SBendtrans-75.627.9175.8-71.4-176.3172.5-1790113.4
295E29.3Very low35.6Very low162 Ų16294.3 Ų94.376%0.75755%0.549SS*.SBendtrans-127.4145.2177.9-63-174.9164.500106.4S293S293-E295 PolarHBondContact O-N 2.99Å
296G26.4Very low35.3Very low63 Ų6396.6 Ų96.665%0.64955%0.55SS**  trans-55.7162.4-160.400000115N298G296-N298 PolarHBondContact O-N 2.9Å
297F31Very low35.4Very low185 Ų18594.8 Ų94.881%0.81154%0.536SS*.  trans-4593.7176.1-87.8-97.7000112N299F297-N299 PolarHBondContact O-N 2.83Å; F297-N299 PolarHBondContact O-OD1 3.14Å
298N31Very low35.3Very low145 Ų14596.1 Ų96.178%0.77554%0.544SS*.  trans-83.6111169.2-96.5-20.4000107.2G296 D300G296-N298 PolarHBondContact O-N 2.9Å; N298-D300 PolarHBondContact O-N 3.12Å
299N38.6Very low35.4Very low120 Ų12097.4 Ų97.464%0.64256%0.561SS**THydrogen-bonded Turntrans-71.913.7-159.4-68.4-37.7000116.1F297 Y357F297-N299 PolarHBondContact O-N 2.83Å; F297-N299 PolarHBondContact O-OD1 3.14Å; N299-Y357 WeakPolarHBondContact O-CE2 3.4Å; N299-Y357 PolarHBondContact O-OH 3.09Å
300D40.9Very low35.4Very low108 Ų108101.7 Ų101.758%0.57859%0.586SS**THydrogen-bonded Turntrans-104.6-15.2-162.9-66.3-37.9000115.8N298 Y357 R361N298-D300 PolarHBondContact O-N 3.12Å; D300-Y357 PolarHBondContact O-OH 2.89Å; D300-R361 PolarHBondContact O-NH2 2.94Å; D300-R361 VanDerWaalsContact O-NH2 3.12Å
301H45.8Very low35.2Very low161 Ų161104.1 Ų104.175%0.74560%0.596SS**  trans-133.374.3-170.9-78.3-62.6000116.2T303H301-T303 PolarHBondContact O-N 3.21Å
302C46.1Very low35.1Very low31 Ų31104.8 Ų104.821%0.20961%0.606CS.*  trans-67.4113.7149.5-154.20000108.6C304 C355 Y357C302-C304 HydrophobicContact CB-CB 4.02Å; C302-C304 WeakPolarHBondContact CB-SG 3.3Å; C302-C304 PolarHBondContact O-N 3.41Å; C302-C304 WeakPolarHBondContact SG-CB 3.46Å; C302-C304 CovalentContact SG-SG 2.04Å; C302-C304 PolarHBondContact SG-SG 2.76Å; C302-C355 PolarHBondContact SG-SG 2.86Å; C302-Y357 HydrophobicContact CB-CD1 3.23Å; C302-Y357 HydrophobicContact CB-CE1 3.61Å; C302-Y357 HydrophobicContact CB-CG 4.07Å
303T44.5Very low35.4Very low72 Ų72102.4 Ų102.444%0.44259%0.59SS.*  trans-76.429174.570.10000112.5N288 C289 H301 A305N288-T303 WeakPolarHBondContact O-CG2 3.07Å; N288-T303 PolarHBondContact O-OG1 3.4Å; N288-T303 VanDerWaalsContact O-OG1 3.06Å; C289-T303 WeakPolarHBondContact CA-OG1 3.01Å; C289-T303 WeakPolarHBondContact CB-OG1 3.42Å; C289-T303 PolarHBondContact N-OG1 2.73Å; H301-T303 PolarHBondContact O-N 3.21Å; T303-A305 PolarHBondContact O-N 3.25Å
304C45.7Very low35.5Very low23 Ų23105.4 Ų105.416%0.15561%0.611CS.*  trans-82.1105.1-167.3-53.40000105.6C302 F306C302-C304 HydrophobicContact CB-CB 4.02Å; C302-C304 WeakPolarHBondContact CB-SG 3.3Å; C302-C304 PolarHBondContact O-N 3.41Å; C302-C304 WeakPolarHBondContact SG-CB 3.46Å; C302-C304 CovalentContact SG-SG 2.04Å; C302-C304 PolarHBondContact SG-SG 2.76Å; C304-F306 WeakPolarHBondContact O-CD2 3.46Å; C304-F306 WeakPolarHBondContact O-CE2 3.21Å; C304-F306 PolarHBondContact O-N 2.92Å
305A40.6Very low35.5Very low52 Ų52100.1 Ų100.143%0.4360%0.599SS.*  trans-67.2100.1-166.600000110.5T303 P307T303-A305 PolarHBondContact O-N 3.25Å; A305-P307 WeakPolarHBondContact O-CD 3.4Å
306F36.6Very low35.6Very low79 Ų79104.4 Ų104.435%0.34661%0.608SS.*PPolyproline II helixtrans-71.4122.6168.3-64.4-87.7000108.4C304 H322 C358 R361C304-F306 WeakPolarHBondContact O-CD2 3.46Å; C304-F306 WeakPolarHBondContact O-CE2 3.21Å; C304-F306 PolarHBondContact O-N 2.92Å; F306-H322 AromaticContact CD1-NE2 3.87Å; F306-H322 AromaticContact CE1-NE2 3.89Å; F306-C358 HydrophobicContact CZ-CB 4.43Å; F306-R361 HydrophobicContact CE1-CB 4.37Å; F306-R361 HydrophobicContact CZ-CB 3.94Å; F306-R361 HydrophobicContact CZ-CG 4.41Å
307P31Very low36.3Very low44 Ų44108.5 Ų108.529%0.28661%0.611SS.*PPolyproline II helixtrans-62.5137.5170.5-25.539.2000109.6A305 S309 L319A305-P307 WeakPolarHBondContact O-CD 3.4Å; P307-S309 PolarHBondContact O-N 2.87Å; P307-L319 HydrophobicContact CB-CD1 4.12Å; P307-L319 HydrophobicContact CG-CD1 3.63Å; P307-L319 HydrophobicContact CG-CD2 3.64Å; P307-L319 HydrophobicContact CG-CG 4.27Å
308P30.3Very low37.1Very low78 Ų78106.8 Ų106.851%0.50661%0.605SS.*PPolyproline II helixtrans-56.6129.8172.9-2333.2000109.9T310P308-T310 PolarHBondContact O-N 3.08Å
309S34.5Very low38.3Very low128 Ų128105.5 Ų105.590%0.89560%0.597SS**THydrogen-bonded Turntrans-67.114-176.948.10000115P307P307-S309 PolarHBondContact O-N 2.87Å
310T32.3Very low39.4Very low119 Ų119101.3 Ų101.373%0.7358%0.575SS**THydrogen-bonded Turntrans-119.7-3.4-169.337.10000114.9P308 A312P308-T310 PolarHBondContact O-N 3.08Å; T310-A312 PolarHBondContact O-N 2.85Å
311I32.7Very low40.4Very low125 Ų12596.8 Ų96.864%0.64155%0.554SS**  trans-9379.6170.7-52.7-177000109.7S313I311-S313 PolarHBondContact O-N 3.32Å
312A28.9Very low41.8Very low104 Ų10491.6 Ų91.686%0.8653%0.53SS*.  trans-76.265.6165.900000110.6T310T310-A312 PolarHBondContact O-N 2.85Å
313S33.5Very low43.6Very low80 Ų8091 Ų9156%0.55953%0.526SS*.  trans-75.3131.4165.754.40000109.6I311 S315I311-S313 PolarHBondContact O-N 3.32Å; S313-S315 VanDerWaalsContact C-N 3.28Å; S313-S315 PolarHBondContact O-N 2.84Å
314S31.7Very low45.7Very low134 Ų13489.8 Ų89.894%0.93752%0.515SS*.SBendtrans-73.768.4-171.255.70000114.4
315S35.2Very low47.9Very low90 Ų9088.7 Ų88.763%0.62951%0.507SS*.SBendtrans-150.2113.4161.654.80000108.3S313 E317S313-S315 VanDerWaalsContact C-N 3.28Å; S313-S315 PolarHBondContact O-N 2.84Å; S315-E317 PolarHBondContact O-N 2.9Å
316R29.7Very low50.4Low252 Ų25290 Ų9095%0.95150%0.503SS*.  trans-81.841-155.8-155-178.4-173.1179.52.2114.9Q318R316-Q318 PolarHBondContact O-N 2.76Å; R316-Q318 VanDerWaalsContact O-N 3.08Å
317E41.3Very low53.1Low149 Ų14986.2 Ų86.270%0.69649%0.487SS*.  trans-77.390.7169-71.8-164.6138.900109.8S315 L319S315-E317 PolarHBondContact O-N 2.9Å; E317-L319 PolarHBondContact O-N 2.86Å
318Q48.6Very low56.2Low149 Ų14986.2 Ų86.270%0.69649%0.487SS*.  trans-52.1126158.3-80.5178.1-2900108.3R316 L320R316-Q318 PolarHBondContact O-N 2.76Å; R316-Q318 VanDerWaalsContact O-N 3.08Å; Q318-L320 PolarHBondContact O-N 3.44Å
319L56.3Low59.2Low117 Ų11784 Ų8461%0.61347%0.471SS*.  trans-49.2109.3179.4-75.2125.5000110.8P307 E317 G321P307-L319 HydrophobicContact CB-CD1 4.12Å; P307-L319 HydrophobicContact CG-CD1 3.63Å; P307-L319 HydrophobicContact CG-CD2 3.64Å; P307-L319 HydrophobicContact CG-CG 4.27Å; E317-L319 PolarHBondContact O-N 2.86Å; L319-G321 PolarHBondContact O-N 2.83Å
320L61.9Low62Low32 Ų3280 Ų8017%0.16844%0.442CS..  trans-69.3-24.3-176.7-68.5170.7000111.4T196 A197 V242 Q318 Y352T196-L320 WeakPolarHBondContact CB-O 3.46Å; T196-L320 PolarHBondContact OG1-O 3.34Å; A197-L320 HydrophobicContact CB-CB 4.15Å; A197-L320 HydrophobicContact CB-CD2 3.93Å; A197-L320 HydrophobicContact CB-CG 4.48Å; V242-L320 HydrophobicContact CG1-CD2 4.41Å; Q318-L320 PolarHBondContact O-N 3.44Å; L320-Y352 HydrophobicContact CB-CD1 3.62Å; L320-Y352 HydrophobicContact CB-CD2 3.94Å; L320-Y352 HydrophobicContact CB-CE1 3.97Å; L320-Y352 HydrophobicContact CB-CE2 4.27Å; L320-Y352 HydrophobicContact CB-CG 3.59Å; L320-Y352 HydrophobicContact CD1-CD2 4.1Å; L320-Y352 HydrophobicContact CD1-CE1 4.09Å; L320-Y352 HydrophobicContact CD1-CE2 3.65Å; L320-Y352 HydrophobicContact CD1-CG 4.5Å
321G61.7Low65Low13 Ų1375.7 Ų75.713%0.13441%0.414CS..  trans-174.2176.9174.100000111L319 F353L319-G321 PolarHBondContact O-N 2.83Å; G321-F353 CarbonylContact C-O 3.49Å; G321-F353 WeakPolarHBondContact CA-O 3.4Å
322H74.4Confident68Low53 Ų5369.8 Ų69.825%0.24538%0.383CS..SBendtrans-95.2-28.5177.6-61.478.9000112.5F306 F353 T354F306-H322 AromaticContact CD1-NE2 3.87Å; F306-H322 AromaticContact CE1-NE2 3.89Å; H322-F353 PolarHBondContact N-O 3.32Å; H322-T354 WeakPolarHBondContact ND1-CG2 3.48Å; H322-T354 PolarHBondContact ND1-OG1 2.98Å
323S84.1Confident71.2Confident18 Ų1865 Ų6513%0.12634%0.344CS..EExtended strand (participates in β ladder)trans-126155.3173.7-56.20000109F353S323-F353 PolarHBondContact N-O 3.22Å; S323-F353 VanDerWaalsContact N-O 3.11Å; S323-F353 PolarHBondContact O-N 2.8Å
324F88.3Confident73.9Confident47 Ų4766 Ų6621%0.20634%0.338CS..EExtended strand (participates in β ladder)trans-147153.7173.964.4-90.7000113.3K326 T350 L351 Y352 Y576F324-K326 HydrophobicContact CD2-CB 4.18Å; F324-K326 HydrophobicContact CE2-CB 4.26Å; F324-T350 HydrophobicContact CB-CG2 4.01Å; F324-T350 HydrophobicContact CD2-CG2 3.74Å; F324-T350 HydrophobicContact CG-CG2 4.18Å; F324-L351 CarbonylContact C-O 3.56Å; F324-L351 WeakPolarHBondContact CA-O 3.49Å; F324-L351 VanDerWaalsContact CB-O 3.29Å; F324-L351 WeakPolarHBondContact CB-O 3.24Å; F324-Y352 HydrophobicContact CB-CD1 3.89Å; F324-Y352 HydrophobicContact CB-CE1 4.26Å; F324-Y352 HydrophobicContact CB-CG 4.48Å; F324-Y576 AromaticContact CE2-CD2 3.9Å; F324-Y576 HydrophobicContact CE2-CD2 3.9Å; F324-Y576 HydrophobicContact CE2-CG 4.37Å; F324-Y576 HydrophobicContact CZ-CD2 4Å; F324-Y576 HydrophobicContact CZ-CG 4.05Å
325L91.6Very high76.7Confident0 Ų059.6 Ų59.60%029%0.293CS..EExtended strand (participates in β ladder)trans-114.4116.8170.8177.561.8000108.3F275 L327 T350 L351 F353 V573F275-L325 HydrophobicContact CB-CD2 3.41Å; F275-L325 VanDerWaalsContact CB-CD2 3.41Å; F275-L325 HydrophobicContact CD1-CD2 4.31Å; F275-L325 HydrophobicContact CD2-CD2 4.08Å; F275-L325 HydrophobicContact CG-CD2 3.69Å; L325-L327 HydrophobicContact CD1-CD2 4.07Å; L325-L327 HydrophobicContact CD1-CG 4.37Å; L325-L327 HydrophobicContact CD2-CD1 4.13Å; L325-L327 HydrophobicContact CD2-CG 4.47Å; L325-L327 HydrophobicContact CG-CD1 4.27Å; L325-L327 HydrophobicContact CG-CD2 4.33Å; L325-L327 HydrophobicContact CG-CG 4.09Å; L325-T350 WeakPolarHBondContact O-CA 3.44Å; L325-L351 HydrophobicContact CB-CB 4.48Å; L325-L351 HydrophobicContact CD2-CD1 4.48Å; L325-L351 PolarHBondContact N-O 2.98Å; L325-L351 PolarHBondContact O-N 3.39Å; L325-F353 HydrophobicContact CB-CE2 4.04Å; L325-V573 HydrophobicContact CD1-CG1 4.01Å
326K92.9Very high79.2Confident78 Ų7858.1 Ų58.134%0.33927%0.274SS..EExtended strand (participates in β ladder)trans-110.5122178.4-174.2171.4-174177.60110.7F324 N348 I349 T350F324-K326 HydrophobicContact CD2-CB 4.18Å; F324-K326 HydrophobicContact CE2-CB 4.26Å; K326-N348 WeakPolarHBondContact CE-OD1 3.38Å; K326-N348 PolarHBondContact NZ-OD1 3.28Å; K326-I349 CarbonylContact C-O 3.56Å; K326-I349 WeakPolarHBondContact CA-O 3.28Å; K326-T350 HydrophobicContact CB-CG2 4.31Å
327L94.5Very high82Confident1 Ų148.3 Ų48.31%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-122.6118.4-176.8-62173.9000110.2L273 L325 E331 L332 N348 I349 V573L273-L327 HydrophobicContact CB-CD1 4.23Å; L273-L327 HydrophobicContact CD1-CD1 3.85Å; L273-L327 HydrophobicContact CD2-CD1 3.88Å; L273-L327 HydrophobicContact CG-CD1 4.19Å; L325-L327 HydrophobicContact CD1-CD2 4.07Å; L325-L327 HydrophobicContact CD1-CG 4.37Å; L325-L327 HydrophobicContact CD2-CD1 4.13Å; L325-L327 HydrophobicContact CD2-CG 4.47Å; L325-L327 HydrophobicContact CG-CD1 4.27Å; L325-L327 HydrophobicContact CG-CD2 4.33Å; L325-L327 HydrophobicContact CG-CG 4.09Å; L327-E331 HydrophobicContact CB-CB 4.01Å; L327-E331 HydrophobicContact CD2-CB 3.99Å; L327-E331 HydrophobicContact CD2-CG 4.36Å; L327-L332 HydrophobicContact CB-CD2 4.08Å; L327-N348 CarbonylContact O-C 3.54Å; L327-N348 WeakPolarHBondContact O-CA 3.27Å; L327-I349 PolarHBondContact N-O 2.86Å; L327-I349 PolarHBondContact O-N 3.24Å; L327-V573 HydrophobicContact CD2-CG1 3.79Å; L327-V573 HydrophobicContact CD2-CG2 4.39Å
328P95Very high84Confident43 Ų4344 Ų4428%0.27923%0.234SC..EExtended strand (participates in β ladder)trans-73.3169.7172.632.4-37000111.9S330 E331 C347P328-S330 PolarHBondContact O-N 2.94Å; P328-S330 VanDerWaalsContact O-N 3.09Å; P328-E331 HydrophobicContact CG-CB 4.28Å; P328-E331 HydrophobicContact CG-CG 4.02Å; P328-E331 WeakPolarHBondContact O-CA 3.4Å; P328-E331 WeakPolarHBondContact O-CB 3.5Å; P328-E331 PolarHBondContact O-N 2.9Å; P328-C347 CarbonylContact C-O 3.56Å
329L94Very high85.6Confident33 Ų3343 Ų4317%0.17323%0.227CC..G310 helixtrans-46.4-41.1178.3-17186.5000114E331 L332 A335 L343 C347L329-E331 PolarHBondContact O-N 2.9Å; L329-L332 PolarHBondContact O-N 3.22Å; L329-L332 VanDerWaalsContact O-N 3.14Å; L329-A335 HydrophobicContact CD1-CB 3.94Å; L329-L343 HydrophobicContact CD1-CB 3.94Å; L329-L343 HydrophobicContact CD1-CD1 4.3Å; L329-C347 HydrophobicContact CB-CB 4.2Å; L329-C347 HydrophobicContact CD1-CB 3.71Å; L329-C347 PolarHBondContact N-O 3.2Å
330S93.7Very high86.9Confident43 Ų4338.8 Ų38.830%0.30121%0.208SC..G310 helixtrans-62.9-23.3179.257.10000113.7P169 P328P169-S330 WeakPolarHBondContact CG-O 3.31Å; P328-S330 PolarHBondContact O-N 2.94Å; P328-S330 VanDerWaalsContact O-N 3.09Å
331E94.9Very high88.1Confident29 Ų2946 Ų4614%0.13624%0.238CC..G310 helixtrans-93.53.9179.6-75.2-64.5117.900113P169 R173 L327 P328 L329 V573P169-E331 WeakPolarHBondContact CB-O 3.32Å; R173-E331 IonicContact CZ-OE2 3.25Å; R173-E331 IonicContact NE-OE2 2.76Å; R173-E331 PolarHBondContact NE-OE2 3.1Å; R173-E331 PolarHBondContact NH2-O 2.83Å; R173-E331 IonicContact NH2-OE2 3.89Å; R173-E331 PolarHBondContact NH2-OE2 2.85Å; L327-E331 HydrophobicContact CB-CB 4.01Å; L327-E331 HydrophobicContact CD2-CB 3.99Å; L327-E331 HydrophobicContact CD2-CG 4.36Å; P328-E331 HydrophobicContact CG-CB 4.28Å; P328-E331 HydrophobicContact CG-CG 4.02Å; P328-E331 WeakPolarHBondContact O-CA 3.4Å; P328-E331 WeakPolarHBondContact O-CB 3.5Å; P328-E331 PolarHBondContact O-N 2.9Å; L329-E331 PolarHBondContact O-N 2.9Å; E331-V573 HydrophobicContact CG-CG2 4.07Å; E331-V573 WeakPolarHBondContact OE2-CG2 3.15Å
332L95.5Very high89.5Confident0 Ų046.8 Ų46.80%024%0.238CC..SBendtrans-106.5121.5-176.8-59.1179.5000111.4C271 L273 L327 L329 A335 Y336 I349C271-L332 HydrophobicContact CB-CB 4.13Å; L273-L332 HydrophobicContact CB-CD2 4.29Å; L273-L332 HydrophobicContact CD2-CD2 3.63Å; L327-L332 HydrophobicContact CB-CD2 4.08Å; L329-L332 PolarHBondContact O-N 3.22Å; L329-L332 VanDerWaalsContact O-N 3.14Å; L332-A335 HydrophobicContact CB-CB 3.95Å; L332-A335 PolarHBondContact O-N 3.24Å; L332-Y336 PolarHBondContact O-N 2.91Å; L332-I349 HydrophobicContact CD1-CD1 3.59Å; L332-I349 HydrophobicContact CD1-CG1 3.88Å; L332-I349 HydrophobicContact CD2-CB 4.48Å; L332-I349 HydrophobicContact CD2-CD1 3.86Å; L332-I349 HydrophobicContact CD2-CG1 4.32Å; L332-I349 HydrophobicContact CG-CD1 4.39Å
333D95.5Very high90.3Very high5 Ų545 Ų453%0.02723%0.23CC..BIsolated β-bridgetrans-59.3144.3177.3-54.2-27.7000110.2I168 P169 S170 C271 Q272 A335I168-D333 HydrophobicContact CG2-CB 4.31Å; I168-D333 WeakPolarHBondContact CG2-OD1 3.23Å; P169-D333 WeakPolarHBondContact CD-OD1 3.24Å; S170-D333 VanDerWaalsContact CB-OD1 3.31Å; S170-D333 WeakPolarHBondContact CB-OD1 3.26Å; S170-D333 WeakPolarHBondContact CB-OD2 3.49Å; S170-D333 PolarHBondContact N-OD1 2.71Å; S170-D333 PolarHBondContact OG-OD1 3.46Å; S170-D333 PolarHBondContact OG-OD2 3.31Å; C271-D333 WeakPolarHBondContact CA-O 3.38Å; C271-D333 WeakPolarHBondContact CB-O 3.32Å; Q272-D333 HydrophobicContact CG-CB 3.63Å; Q272-D333 PolarHBondContact N-O 3.11Å; Q272-D333 VanDerWaalsContact O-CB 3.31Å; Q272-D333 WeakPolarHBondContact O-CB 3.42Å; Q272-D333 PolarHBondContact O-N 2.85Å; D333-A335 PolarHBondContact O-N 3.02Å
334K90.6Very high90.7Very high100 Ų10046.2 Ų46.244%0.43524%0.236SC..THydrogen-bonded Turntrans66.8-39.9-171.3-167.4-178.4-175.9178.20114.7K269K269-K334 PolarHBondContact O-NZ 2.63Å
335A90.9Very high90.8Very high0 Ų048.3 Ų48.30%026%0.257CS..G310 helixtrans-77.2-31.3-178.900000113.7C271 L329 L332 D333 K337 G338 L343C271-A335 HydrophobicContact CB-CB 3.75Å; L329-A335 HydrophobicContact CD1-CB 3.94Å; L332-A335 HydrophobicContact CB-CB 3.95Å; L332-A335 PolarHBondContact O-N 3.24Å; D333-A335 PolarHBondContact O-N 3.02Å; A335-K337 PolarHBondContact O-N 2.7Å; A335-G338 PolarHBondContact O-N 2.82Å; A335-L343 HydrophobicContact CB-CD1 3.79Å
336Y88.4Confident90.7Very high59 Ų5954.7 Ų54.723%0.23129%0.287CS..G310 helixtrans-54.2-22.1175.680.6-91.3000114.1P169 L332 G338P169-Y336 VanDerWaalsContact CD-CE1 3.49Å; P169-Y336 HydrophobicContact CG-CD1 3.67Å; P169-Y336 HydrophobicContact CG-CE1 4.32Å; P169-Y336 HydrophobicContact CG-CG 3.8Å; L332-Y336 PolarHBondContact O-N 2.91Å; Y336-G338 PolarHBondContact O-N 3.07Å
337K87Confident90.7Very high45 Ų4551 Ų5120%0.19627%0.271CS..G310 helixtrans-75.50.4178.2-60.1-166.5171.6-160.20114.3A335 K339 D489A335-K337 PolarHBondContact O-N 2.7Å; K337-K339 PolarHBondContact O-N 3.47Å; K337-D489 WeakPolarHBondContact CE-OD2 3.41Å; K337-D489 IonicContact NZ-OD2 2.71Å; K337-D489 PolarHBondContact NZ-OD2 2.83Å
338G84.3Confident90.6Very high59 Ų5952.4 Ų52.461%0.60828%0.278SS*.SBendtrans69.4-11.9-179.100000116.1A335 Y336 S340A335-G338 PolarHBondContact O-N 2.82Å; Y336-G338 PolarHBondContact O-N 3.07Å; G338-S340 PolarHBondContact O-N 3.16Å; G338-S340 VanDerWaalsContact O-N 3.1Å
339K81.7Confident90.6Very high127 Ų12750.4 Ų50.455%0.55227%0.266SS*.  trans-7815.3-175.2-62.8178.8-177.2-176.10114.9K337 D487K337-K339 PolarHBondContact O-N 3.47Å; K339-D487 IonicContact NZ-OD1 2.66Å
340S83.5Confident90.7Very high29 Ų2949 Ų4920%0.20326%0.258CS..  trans-88.5124.5-179.1-172.60000112.1G338 F342 L343G338-S340 PolarHBondContact O-N 3.16Å; G338-S340 VanDerWaalsContact O-N 3.1Å; S340-F342 VanDerWaalsContact C-N 3.3Å; S340-F342 PolarHBondContact OG-N 2.88Å; S340-L343 PolarHBondContact OG-N 3.28Å
341K86.8Confident90.7Very high184 Ų18447 Ų4780%0.824%0.244SC*.SBendtrans-83-2.5173.7-60.2-167.8178.1-170.40114.2
342F91Very high90.6Very high30 Ų3047 Ų4713%0.13224%0.243CC..SBendtrans-115.3-11.6-173.3-64-81.4000113.7Q204 L209 A261 L266 K268 I270 S340Q204-F342 PolarHBondContact N-O 2.94Å; L209-F342 HydrophobicContact CD1-CD1 4.23Å; L209-F342 HydrophobicContact CD1-CE1 4.24Å; L209-F342 HydrophobicContact CD2-CD1 4.45Å; A261-F342 HydrophobicContact CB-CB 4.37Å; A261-F342 HydrophobicContact CB-CD1 3.63Å; A261-F342 HydrophobicContact CB-CD2 4.08Å; A261-F342 HydrophobicContact CB-CE1 3.86Å; A261-F342 HydrophobicContact CB-CE2 4.29Å; A261-F342 HydrophobicContact CB-CG 3.76Å; A261-F342 HydrophobicContact CB-CZ 4.18Å; L266-F342 HydrophobicContact CD2-CE1 4.38Å; L266-F342 HydrophobicContact CD2-CE2 4.34Å; L266-F342 HydrophobicContact CD2-CZ 3.63Å; K268-F342 HydrophobicContact CD-CE2 4.32Å; I270-F342 HydrophobicContact CG2-CB 3.83Å; I270-F342 HydrophobicContact CG2-CD2 3.58Å; I270-F342 HydrophobicContact CG2-CE2 4.41Å; I270-F342 HydrophobicContact CG2-CG 3.87Å; S340-F342 VanDerWaalsContact C-N 3.3Å; S340-F342 PolarHBondContact OG-N 2.88Å
343L92.5Very high90.3Very high14 Ų1447 Ų477%0.07324%0.243CC..EExtended strand (participates in β ladder)trans-125.2131-176.3-59.3176.7000108.7G202 L203 I270 C271 L329 A335 S340 C347G202-L343 CarbonylContact O-C 3.52Å; G202-L343 WeakPolarHBondContact O-CA 3.25Å; L203-L343 HydrophobicContact CD2-CD2 3.92Å; I270-L343 HydrophobicContact CD1-CD1 4.41Å; I270-L343 HydrophobicContact CD1-CD2 3.92Å; I270-L343 HydrophobicContact CD1-CG 4.23Å; I270-L343 HydrophobicContact CG1-CD1 4.47Å; C271-L343 HydrophobicContact CB-CD1 4.24Å; L329-L343 HydrophobicContact CD1-CB 3.94Å; L329-L343 HydrophobicContact CD1-CD1 4.3Å; A335-L343 HydrophobicContact CB-CD1 3.79Å; S340-L343 PolarHBondContact OG-N 3.28Å; L343-C347 HydrophobicContact CB-CB 4.15Å
344T92Very high90Very high44 Ų4447.4 Ų47.427%0.2725%0.246SC..EExtended strand (participates in β ladder)trans-85.9172.5176.467.60000111.3G202 E346 C347G202-T344 VanDerWaalsContact CA-OG1 3.24Å; G202-T344 WeakPolarHBondContact CA-OG1 3.49Å; G202-T344 PolarHBondContact O-N 3.44Å; G202-T344 PolarHBondContact O-OG1 2.66Å; T344-E346 PolarHBondContact O-N 3.27Å; T344-C347 WeakPolarHBondContact O-CB 3.49Å; T344-C347 PolarHBondContact O-N 2.87Å; T344-C347 VanDerWaalsContact O-N 3.13Å
345S90.2Very high89.7Confident91 Ų9143.7 Ų43.764%0.63623%0.232SC*.EExtended strand (participates in β ladder)trans-54.2-36.7172.551.40000112.8C347S345-C347 PolarHBondContact O-N 2.91Å; S345-C347 VanDerWaalsContact O-N 3.14Å
346E89.4Confident89.2Confident134 Ų13445.2 Ų45.263%0.62624%0.242SC*.EExtended strand (participates in β ladder)trans-75.73.7-178-49.8-44.1114.500113.6T344 N348T344-E346 PolarHBondContact O-N 3.27Å; E346-N348 PolarHBondContact O-N 3.1Å; E346-N348 PolarHBondContact O-ND2 3.22Å
347C93.6Very high88.4Confident2 Ų245.2 Ų45.21%0.01424%0.242CC..EExtended strand (participates in β ladder)trans-60.1128.3-176.9178.20000111.9C201 P328 L329 L343 T344 S345C201-C347 VanDerWaalsContact O-CA 3.28Å; C201-C347 WeakPolarHBondContact O-CA 3.48Å; P328-C347 CarbonylContact C-O 3.56Å; L329-C347 HydrophobicContact CB-CB 4.2Å; L329-C347 HydrophobicContact CD1-CB 3.71Å; L329-C347 PolarHBondContact N-O 3.2Å; L343-C347 HydrophobicContact CB-CB 4.15Å; T344-C347 WeakPolarHBondContact O-CB 3.49Å; T344-C347 PolarHBondContact O-N 2.87Å; T344-C347 VanDerWaalsContact O-N 3.13Å; S345-C347 PolarHBondContact O-N 2.91Å; S345-C347 VanDerWaalsContact O-N 3.14Å
348N93.1Very high87.5Confident29 Ų2943.1 Ų43.116%0.15523%0.233CC..EExtended strand (participates in β ladder)trans-146.5140.317161.8102.3000110.4C201 K326 L327 E346C201-N348 PolarHBondContact N-O 3.14Å; C201-N348 PolarHBondContact O-N 3.1Å; K326-N348 WeakPolarHBondContact CE-OD1 3.38Å; K326-N348 PolarHBondContact NZ-OD1 3.28Å; L327-N348 CarbonylContact O-C 3.54Å; L327-N348 WeakPolarHBondContact O-CA 3.27Å; E346-N348 PolarHBondContact O-N 3.1Å; E346-N348 PolarHBondContact O-ND2 3.22Å
349I94.7Very high86.7Confident2 Ų241.5 Ų41.51%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-113125.2179.9-61-172.9000107.7V198 R199 V200 F259 L273 K326 L327 L332 L351V198-I349 HydrophobicContact CG1-CG2 4.35Å; R199-I349 CarbonylContact O-C 3.59Å; R199-I349 WeakPolarHBondContact O-CA 3.3Å; V200-I349 HydrophobicContact CG1-CG1 4.12Å; V200-I349 HydrophobicContact CG2-CD1 4.33Å; V200-I349 HydrophobicContact CG2-CG1 4.02Å; V200-I349 HydrophobicContact CG2-CG2 4.32Å; F259-I349 HydrophobicContact CD1-CD1 4.29Å; F259-I349 HydrophobicContact CD2-CD1 3.97Å; F259-I349 HydrophobicContact CE1-CD1 3.94Å; F259-I349 HydrophobicContact CE1-CG2 4.27Å; F259-I349 HydrophobicContact CE2-CD1 3.63Å; F259-I349 HydrophobicContact CE2-CG2 4.29Å; F259-I349 HydrophobicContact CG-CD1 4.3Å; F259-I349 HydrophobicContact CZ-CD1 3.62Å; F259-I349 HydrophobicContact CZ-CG2 3.61Å; L273-I349 HydrophobicContact CD2-CG2 4.33Å; K326-I349 CarbonylContact C-O 3.56Å; K326-I349 WeakPolarHBondContact CA-O 3.28Å; L327-I349 PolarHBondContact N-O 2.86Å; L327-I349 PolarHBondContact O-N 3.24Å; L332-I349 HydrophobicContact CD1-CD1 3.59Å; L332-I349 HydrophobicContact CD1-CG1 3.88Å; L332-I349 HydrophobicContact CD2-CB 4.48Å; L332-I349 HydrophobicContact CD2-CD1 3.86Å; L332-I349 HydrophobicContact CD2-CG1 4.32Å; L332-I349 HydrophobicContact CG-CD1 4.39Å; I349-L351 HydrophobicContact CG2-CD2 4.24Å
350T94.8Very high85.8Confident3 Ų339.5 Ų39.52%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-116.9115.1176-48.90000109.5V198 R199 F324 L325 K326 Y352V198-T350 WeakPolarHBondContact CA-O 3.3Å; R199-T350 PolarHBondContact N-O 2.6Å; R199-T350 PolarHBondContact O-N 2.73Å; F324-T350 HydrophobicContact CB-CG2 4.01Å; F324-T350 HydrophobicContact CD2-CG2 3.74Å; F324-T350 HydrophobicContact CG-CG2 4.18Å; L325-T350 WeakPolarHBondContact O-CA 3.44Å; K326-T350 HydrophobicContact CB-CG2 4.31Å; T350-Y352 HydrophobicContact CG2-CD1 4.43Å; T350-Y352 HydrophobicContact CG2-CD2 4.22Å; T350-Y352 HydrophobicContact CG2-CE1 3.88Å; T350-Y352 HydrophobicContact CG2-CE2 3.64Å; T350-Y352 VanDerWaalsContact CG2-CZ 3.46Å
351L94Very high84.8Confident1 Ų141.9 Ų41.91%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-93125.1171.7-55.1179.1000108.3L195 V198 V257 L273 F275 F324 L325 I349 F353L195-L351 HydrophobicContact CD1-CB 4.09Å; L195-L351 HydrophobicContact CD1-CD2 4.41Å; V198-L351 HydrophobicContact CB-CD2 4.22Å; V198-L351 HydrophobicContact CG1-CD2 3.83Å; V198-L351 HydrophobicContact CG2-CD2 3.56Å; V257-L351 HydrophobicContact CG2-CD1 4.14Å; L273-L351 HydrophobicContact CD1-CD1 4.2Å; F275-L351 HydrophobicContact CD1-CD1 3.78Å; F275-L351 HydrophobicContact CE1-CD1 3.48Å; F275-L351 VanDerWaalsContact CE1-CD1 3.48Å; F275-L351 HydrophobicContact CZ-CD1 4.08Å; F324-L351 CarbonylContact C-O 3.56Å; F324-L351 WeakPolarHBondContact CA-O 3.49Å; F324-L351 VanDerWaalsContact CB-O 3.29Å; F324-L351 WeakPolarHBondContact CB-O 3.24Å; L325-L351 HydrophobicContact CB-CB 4.48Å; L325-L351 HydrophobicContact CD2-CD1 4.48Å; L325-L351 PolarHBondContact N-O 2.98Å; L325-L351 PolarHBondContact O-N 3.39Å; I349-L351 HydrophobicContact CG2-CD2 4.24Å; L351-F353 HydrophobicContact CB-CD2 4.5Å; L351-F353 HydrophobicContact CB-CE2 3.52Å; L351-F353 HydrophobicContact CB-CZ 3.54Å; L351-F353 HydrophobicContact CD1-CZ 4.01Å; L351-F353 HydrophobicContact CG-CZ 4.42Å; L351-F353 WeakPolarHBondContact O-CE2 3.31Å
352Y92.1Very high83.7Confident30 Ų3039.5 Ų39.512%0.11820%0.197CC..EExtended strand (participates in β ladder)trans-104.8136.1179.1-62-91000110.4T196 A197 R199 L320 F324 T350T196-Y352 PolarHBondContact N-O 3.11Å; T196-Y352 PolarHBondContact OG1-O 2.78Å; T196-Y352 VanDerWaalsContact OG1-O 3.1Å; A197-Y352 HydrophobicContact CB-CD2 3.88Å; A197-Y352 HydrophobicContact CB-CG 4.38Å; A197-Y352 PolarHBondContact O-N 3.26Å; R199-Y352 HydrophobicContact CB-CE2 3.88Å; L320-Y352 HydrophobicContact CB-CD1 3.62Å; L320-Y352 HydrophobicContact CB-CD2 3.94Å; L320-Y352 HydrophobicContact CB-CE1 3.97Å; L320-Y352 HydrophobicContact CB-CE2 4.27Å; L320-Y352 HydrophobicContact CB-CG 3.59Å; L320-Y352 HydrophobicContact CD1-CD2 4.1Å; L320-Y352 HydrophobicContact CD1-CE1 4.09Å; L320-Y352 HydrophobicContact CD1-CE2 3.65Å; L320-Y352 HydrophobicContact CD1-CG 4.5Å; F324-Y352 HydrophobicContact CB-CD1 3.89Å; F324-Y352 HydrophobicContact CB-CE1 4.26Å; F324-Y352 HydrophobicContact CB-CG 4.48Å; T350-Y352 HydrophobicContact CG2-CD1 4.43Å; T350-Y352 HydrophobicContact CG2-CD2 4.22Å; T350-Y352 HydrophobicContact CG2-CE1 3.88Å; T350-Y352 HydrophobicContact CG2-CE2 3.64Å; T350-Y352 VanDerWaalsContact CG2-CZ 3.46Å
353F91.1Very high82.4Confident0 Ų041.8 Ų41.80%021%0.211CC..EExtended strand (participates in β ladder)trans-129.7152.4-174.4-56.3-83.9000112.3L193 F194 L195 L251 F275 V280 G321 H322 S323 L325 L351L193-F353 HydrophobicContact CB-CB 4.36Å; L193-F353 HydrophobicContact CB-CD1 4.07Å; L193-F353 HydrophobicContact CD1-CB 4.33Å; L193-F353 HydrophobicContact CD1-CD1 4.34Å; L193-F353 HydrophobicContact CD1-CG 4.26Å; F194-F353 CarbonylContact O-C 3.55Å; F194-F353 WeakPolarHBondContact O-CA 3.36Å; L195-F353 HydrophobicContact CB-CD1 4.41Å; L195-F353 HydrophobicContact CB-CE1 4.36Å; L195-F353 HydrophobicContact CD1-CD1 4.05Å; L195-F353 HydrophobicContact CD1-CE1 3.59Å; L195-F353 HydrophobicContact CD1-CZ 4.01Å; L251-F353 HydrophobicContact CD1-CE1 4.23Å; F275-F353 HydrophobicContact CD2-CZ 4.38Å; F275-F353 HydrophobicContact CE1-CZ 4.3Å; F275-F353 AromaticContact CE2-CE1 3.86Å; F275-F353 HydrophobicContact CE2-CE1 3.86Å; F275-F353 HydrophobicContact CE2-CE2 4.42Å; F275-F353 AromaticContact CE2-CZ 3.5Å; F275-F353 HydrophobicContact CE2-CZ 3.5Å; F275-F353 VanDerWaalsContact CE2-CZ 3.5Å; F275-F353 AromaticContact CZ-CE1 3.71Å; F275-F353 HydrophobicContact CZ-CE1 3.71Å; F275-F353 AromaticContact CZ-CZ 3.45Å; F275-F353 HydrophobicContact CZ-CZ 3.45Å; F275-F353 VanDerWaalsContact CZ-CZ 3.45Å; V280-F353 HydrophobicContact CG1-CD2 3.6Å; V280-F353 HydrophobicContact CG1-CE2 3.9Å; V280-F353 HydrophobicContact CG1-CG 4.29Å; V280-F353 HydrophobicContact CG2-CE2 4.15Å; V280-F353 HydrophobicContact CG2-CZ 4.48Å; G321-F353 CarbonylContact C-O 3.49Å; G321-F353 WeakPolarHBondContact CA-O 3.4Å; H322-F353 PolarHBondContact N-O 3.32Å; S323-F353 PolarHBondContact N-O 3.22Å; S323-F353 VanDerWaalsContact N-O 3.11Å; S323-F353 PolarHBondContact O-N 2.8Å; L325-F353 HydrophobicContact CB-CE2 4.04Å; L351-F353 HydrophobicContact CB-CD2 4.5Å; L351-F353 HydrophobicContact CB-CE2 3.52Å; L351-F353 HydrophobicContact CB-CZ 3.54Å; L351-F353 HydrophobicContact CD1-CZ 4.01Å; L351-F353 HydrophobicContact CG-CZ 4.42Å; L351-F353 WeakPolarHBondContact O-CE2 3.31Å
354T88Confident80.6Confident13 Ų1345 Ų458%0.0823%0.228CC..EExtended strand (participates in β ladder)trans-132.6142.5170.3-69.10000109.5F194 H322 C358 I359F194-T354 WeakPolarHBondContact CB-O 3.5Å; F194-T354 PolarHBondContact N-O 3.43Å; F194-T354 PolarHBondContact O-N 2.91Å; H322-T354 WeakPolarHBondContact ND1-CG2 3.48Å; H322-T354 PolarHBondContact ND1-OG1 2.98Å; T354-C358 HydrophobicContact CG2-CB 3.5Å; T354-C358 VanDerWaalsContact CG2-CB 3.5Å; T354-I359 HydrophobicContact CG2-CD1 4.41Å; T354-I359 HydrophobicContact CG2-CG1 3.7Å
355C84.1Confident78.9Confident22 Ų2249.3 Ų49.315%0.14925%0.245CC..  trans-78.2153.5178.484.40000111.4C302 Y357 C358 I359C302-C355 PolarHBondContact SG-SG 2.86Å; C355-Y357 PolarHBondContact O-N 3.02Å; C355-C358 HydrophobicContact CB-CB 4.26Å; C355-C358 WeakPolarHBondContact CB-SG 3.41Å; C355-C358 WeakPolarHBondContact O-CB 3.34Å; C355-C358 PolarHBondContact O-N 3.06Å; C355-C358 WeakPolarHBondContact SG-CB 3.45Å; C355-C358 PolarHBondContact SG-N 3.21Å; C355-C358 CovalentContact SG-SG 2.06Å; C355-C358 PolarHBondContact SG-SG 2.99Å; C355-I359 PolarHBondContact O-N 3.45Å
356P80.4Confident77.2Confident31 Ų3149.8 Ų49.820%0.20124%0.239CC..Hα-helixtrans-54.6-48178-28.335.1000113.9P192 F194 L250 C358 I359 E360P192-P356 HydrophobicContact CB-CG 3.92Å; P192-P356 HydrophobicContact CG-CG 4Å; P192-P356 VanDerWaalsContact O-CD 3.22Å; P192-P356 WeakPolarHBondContact O-CD 3.34Å; F194-P356 HydrophobicContact CD2-CB 4.43Å; F194-P356 HydrophobicContact CD2-CG 4.13Å; F194-P356 HydrophobicContact CE2-CB 3.9Å; F194-P356 HydrophobicContact CE2-CG 3.88Å; L250-P356 HydrophobicContact CD1-CG 4.4Å; P356-C358 PolarHBondContact O-N 3.12Å; P356-C358 VanDerWaalsContact O-N 3.15Å; P356-I359 WeakPolarHBondContact O-CA 3.24Å; P356-I359 WeakPolarHBondContact O-CB 3.49Å; P356-I359 PolarHBondContact O-N 3.45Å; P356-E360 PolarHBondContact O-N 3.17Å
357Y72.1Confident75.2Confident59 Ų5947.6 Ų47.623%0.23123%0.232CC..Hα-helixtrans-59.5-28177.4-171.2-94.1000113.8N299 D300 C302 C355 R361N299-Y357 WeakPolarHBondContact O-CE2 3.4Å; N299-Y357 PolarHBondContact O-OH 3.09Å; D300-Y357 PolarHBondContact O-OH 2.89Å; C302-Y357 HydrophobicContact CB-CD1 3.23Å; C302-Y357 HydrophobicContact CB-CE1 3.61Å; C302-Y357 HydrophobicContact CB-CG 4.07Å; C355-Y357 PolarHBondContact O-N 3.02Å; Y357-R361 HydrophobicContact CD1-CG 4.49Å; Y357-R361 HydrophobicContact CE1-CG 4.21Å; Y357-R361 VanDerWaalsContact CE1-CZ 3.46Å; Y357-R361 PolarHBondContact O-N 2.73Å; Y357-R361 PolarHBondContact OH-NH2 3.34Å
358C68.9Low73Confident1 Ų152.3 Ų52.31%0.00726%0.261CS..Hα-helixtrans-70.9-35.9176.9-52.60000110.6F306 T354 C355 P356 K362F306-C358 HydrophobicContact CZ-CB 4.43Å; T354-C358 HydrophobicContact CG2-CB 3.5Å; T354-C358 VanDerWaalsContact CG2-CB 3.5Å; C355-C358 HydrophobicContact CB-CB 4.26Å; C355-C358 WeakPolarHBondContact CB-SG 3.41Å; C355-C358 WeakPolarHBondContact O-CB 3.34Å; C355-C358 PolarHBondContact O-N 3.06Å; C355-C358 WeakPolarHBondContact SG-CB 3.45Å; C355-C358 PolarHBondContact SG-N 3.21Å; C355-C358 CovalentContact SG-SG 2.06Å; C355-C358 PolarHBondContact SG-SG 2.99Å; P356-C358 PolarHBondContact O-N 3.12Å; P356-C358 VanDerWaalsContact O-N 3.15Å; C358-K362 WeakPolarHBondContact O-CB 3.35Å; C358-K362 PolarHBondContact O-N 3.33Å
359I67.3Low70.8Confident25 Ų2557.4 Ų57.413%0.12829%0.288CS..Hα-helixtrans-71.1-43.5174.3-57.3-166000110.2F194 D248 T354 C355 P356 R361 K362 N363F194-I359 HydrophobicContact CB-CD1 3.88Å; F194-I359 HydrophobicContact CD1-CD1 4.17Å; F194-I359 HydrophobicContact CD2-CD1 3.33Å; F194-I359 HydrophobicContact CD2-CG1 4.19Å; F194-I359 HydrophobicContact CE2-CD1 3.79Å; F194-I359 HydrophobicContact CG-CD1 3.53Å; F194-I359 HydrophobicContact CZ-CD1 4.36Å; D248-I359 HydrophobicContact CB-CD1 4.35Å; T354-I359 HydrophobicContact CG2-CD1 4.41Å; T354-I359 HydrophobicContact CG2-CG1 3.7Å; C355-I359 PolarHBondContact O-N 3.45Å; P356-I359 WeakPolarHBondContact O-CA 3.24Å; P356-I359 WeakPolarHBondContact O-CB 3.49Å; P356-I359 PolarHBondContact O-N 3.45Å; I359-R361 PolarHBondContact O-N 2.94Å; I359-K362 WeakPolarHBondContact O-CB 3.38Å; I359-K362 PolarHBondContact O-N 2.95Å; I359-K362 VanDerWaalsContact O-N 3.13Å; I359-N363 PolarHBondContact O-N 3.29Å
360E63.1Low68.2Low85 Ų8563.5 Ų63.540%0.39732%0.321SS..Hα-helixtrans-58-47.7176.2-68.3177.3167.600112P356 K362 N363 N364P356-E360 PolarHBondContact O-N 3.17Å; E360-K362 VanDerWaalsContact C-N 3.33Å; E360-K362 PolarHBondContact O-N 3.26Å; E360-N363 PolarHBondContact O-N 3.4Å; E360-N364 WeakPolarHBondContact O-CB 3.23Å; E360-N364 VanDerWaalsContact O-CG 3.28Å; E360-N364 PolarHBondContact O-N 2.73Å; E360-N364 PolarHBondContact O-ND2 2.62Å
361R61.4Low65.3Low80 Ų8068.4 Ų68.430%0.30236%0.355SS..Hα-helixtrans-60.3-39.9173.8-79.4-167.5177.9175.65.4113D300 F306 Y357 I359 N364 H365D300-R361 PolarHBondContact O-NH2 2.94Å; D300-R361 VanDerWaalsContact O-NH2 3.12Å; F306-R361 HydrophobicContact CE1-CB 4.37Å; F306-R361 HydrophobicContact CZ-CB 3.94Å; F306-R361 HydrophobicContact CZ-CG 4.41Å; Y357-R361 HydrophobicContact CD1-CG 4.49Å; Y357-R361 HydrophobicContact CE1-CG 4.21Å; Y357-R361 VanDerWaalsContact CE1-CZ 3.46Å; Y357-R361 PolarHBondContact O-N 2.73Å; Y357-R361 PolarHBondContact OH-NH2 3.34Å; I359-R361 PolarHBondContact O-N 2.94Å; R361-N364 PolarHBondContact O-N 2.86Å; R361-H365 PolarHBondContact O-CD2 3.15Å; R361-H365 VanDerWaalsContact O-CD2 3.32Å; R361-H365 PolarHBondContact O-N 3.21Å
362K64.2Low62.3Low133 Ų13375.3 Ų75.358%0.57839%0.392SS*.Hα-helixtrans-63.3-44.3177.1-174.1-175.9176.6-171.20111.5C358 I359 E360 H365 L366C358-K362 WeakPolarHBondContact O-CB 3.35Å; C358-K362 PolarHBondContact O-N 3.33Å; I359-K362 WeakPolarHBondContact O-CB 3.38Å; I359-K362 PolarHBondContact O-N 2.95Å; I359-K362 VanDerWaalsContact O-N 3.13Å; E360-K362 VanDerWaalsContact C-N 3.33Å; E360-K362 PolarHBondContact O-N 3.26Å; K362-H365 PolarHBondContact O-N 3.06Å; K362-L366 HydrophobicContact CG-CD1 4.24Å; K362-L366 WeakPolarHBondContact O-CD1 3.12Å; K362-L366 WeakPolarHBondContact O-CG 3.36Å; K362-L366 PolarHBondContact O-N 3.44Å; K362-L366 VanDerWaalsContact O-N 3.07Å
363N63.4Low59.7Low79 Ų7983.1 Ų83.142%0.42243%0.429SS..Hα-helixtrans-67.3-40.3177.9-69-11.8000111.7I359 E360 L366 N367I359-N363 PolarHBondContact O-N 3.29Å; E360-N363 PolarHBondContact O-N 3.4Å; N363-L366 PolarHBondContact O-N 3.06Å; N363-N367 WeakPolarHBondContact O-CB 3.37Å; N363-N367 PolarHBondContact O-N 3.07Å
364N54.2Low56.9Low81 Ų8188.5 Ų88.543%0.43347%0.467SS..Hα-helixtrans-63.3-43.2175.2-72.3-18.9000111.9E360 R361 L366 N367 T368E360-N364 WeakPolarHBondContact O-CB 3.23Å; E360-N364 VanDerWaalsContact O-CG 3.28Å; E360-N364 PolarHBondContact O-N 2.73Å; E360-N364 PolarHBondContact O-ND2 2.62Å; R361-N364 PolarHBondContact O-N 2.86Å; N364-L366 VanDerWaalsContact C-N 3.34Å; N364-L366 PolarHBondContact O-N 3Å; N364-N367 PolarHBondContact O-N 3.24Å; N364-T368 WeakPolarHBondContact O-CG2 3.41Å; N364-T368 PolarHBondContact O-N 3.14Å; N364-T368 PolarHBondContact O-OG1 3.25Å
365H56.9Low54.2Low135 Ų13593.8 Ų93.863%0.62549%0.494SS*.Hα-helixtrans-65.1-33.4175.1-84.6-58.3000113.9R361 K362 T368R361-H365 PolarHBondContact O-CD2 3.15Å; R361-H365 VanDerWaalsContact O-CD2 3.32Å; R361-H365 PolarHBondContact O-N 3.21Å; K362-H365 PolarHBondContact O-N 3.06Å; H365-T368 WeakPolarHBondContact CA-OG1 3.46Å; H365-T368 PolarHBondContact O-OG1 2.97Å
366L54.1Low51.8Low101 Ų10198 Ų9853%0.52952%0.521SS..Hα-helixtrans-68.1-41.7173.1-76161.1000111.3K362 N363 N364 N369K362-L366 HydrophobicContact CG-CD1 4.24Å; K362-L366 WeakPolarHBondContact O-CD1 3.12Å; K362-L366 WeakPolarHBondContact O-CG 3.36Å; K362-L366 PolarHBondContact O-N 3.44Å; K362-L366 VanDerWaalsContact O-N 3.07Å; N363-L366 PolarHBondContact O-N 3.06Å; N364-L366 VanDerWaalsContact C-N 3.34Å; N364-L366 PolarHBondContact O-N 3Å; L366-N369 PolarHBondContact O-N 3.04Å
367N46.7Very low49.6Very low87 Ų87105.8 Ų105.847%0.46555%0.552SS.*Hα-helixtrans-73.6-29.9179.9-71.6-12.1000113.4N363 N364 N369 N370N363-N367 WeakPolarHBondContact O-CB 3.37Å; N363-N367 PolarHBondContact O-N 3.07Å; N364-N367 PolarHBondContact O-N 3.24Å; N367-N369 PolarHBondContact O-N 2.67Å; N367-N369 VanDerWaalsContact O-N 3.15Å; N367-N370 CarbonylContact O-C 3.33Å; N367-N370 PolarHBondContact O-N 3.39Å
368T48.9Very low47.7Very low101 Ų101108.4 Ų108.462%0.6257%0.574SS**THydrogen-bonded Turntrans-63.7-17.4173.845.90000113.8N364 H365N364-T368 WeakPolarHBondContact O-CG2 3.41Å; N364-T368 PolarHBondContact O-N 3.14Å; N364-T368 PolarHBondContact O-OG1 3.25Å; H365-T368 WeakPolarHBondContact CA-OG1 3.46Å; H365-T368 PolarHBondContact O-OG1 2.97Å
369N45.5Very low46.1Very low136 Ų136114 Ų11473%0.72760%0.603SS**THydrogen-bonded Turntrans-92.9-5.2174.3-69.2-16.3000113.5L366 N367L366-N369 PolarHBondContact O-N 3.04Å; N367-N369 PolarHBondContact O-N 2.67Å; N367-N369 VanDerWaalsContact O-N 3.15Å
370N40.1Very low44.3Very low131 Ų131120 Ų12070%0.70164%0.636SS**SBendtrans-134.576.7177.7-85-31.8000110.1N367 N372N367-N370 CarbonylContact O-C 3.33Å; N367-N370 PolarHBondContact O-N 3.39Å; N370-N372 PolarHBondContact O-N 3.06Å
371S33.8Very low42.9Very low105 Ų105120.6 Ų120.673%0.73464%0.641SS**  trans-66.296.417355.40000111.1
372N32.8Very low41.4Very low147 Ų147122.2 Ų122.279%0.78666%0.662SS**  trans159.470145.9-80.5-21.9000111.8N370N370-N372 PolarHBondContact O-N 3.06Å
373Q35.8Very low39.9Very low193 Ų193122.1 Ų122.190%0.90267%0.673SS**  trans-160146157.2-113.3149.975.900111.6
374S33.4Very low38.4Very low113 Ų113124.5 Ų124.579%0.7969%0.685SS**PPolyproline II helixtrans-71.4136.9-172.649.90000113
375L31.4Very low37.5Very low125 Ų125125.8 Ų125.865%0.65469%0.693SS**PPolyproline II helixtrans-56.2137.6174.1-114.276.9000112.2
376P33.1Very low36.4Very low109 Ų109128.4 Ų128.471%0.70871%0.705SS**PPolyproline II helixtrans-61.8141.7153.8-14.129.4000109.2
377K34.3Very low35.2Very low196 Ų196132.9 Ų132.985%0.85272%0.72SS**PPolyproline II helixtrans-65.3153.3176.3-66.7177.4179.3178.10110.7
378T32.7Very low34.4Very low113 Ų113133 Ų13369%0.69373%0.733SS**  trans-36.2137.8176.8-38.80000113D380T378-D380 PolarHBondContact O-N 3.41Å
379L35Very low33.6Very low118 Ų118135.8 Ų135.862%0.61874%0.743SS**  trans-68102.4164.3-112.681.6000108L381L379-L381 VanDerWaalsContact C-N 3.31Å; L379-L381 PolarHBondContact O-N 2.92Å
380D29.4Very low32.9Very low152 Ų152133.5 Ų133.581%0.81374%0.737SS**  trans-65.794.5167-69.4-36.8000108.2T378T378-D380 PolarHBondContact O-N 3.41Å
381L34Very low32.3Very low97 Ų97133.7 Ų133.751%0.50875%0.745SS.*  trans-55138.6164.6-80.2158.9000108.4P192 L379 T383P192-L381 HydrophobicContact CG-CD2 4.47Å; L379-L381 VanDerWaalsContact C-N 3.31Å; L379-L381 PolarHBondContact O-N 2.92Å; L381-T383 PolarHBondContact O-N 2.96Å
382P29.6Very low32.1Very low114 Ų114133.2 Ų133.274%0.7474%0.742SS**  trans-60.8101.1175.7-22.933.8000111D384P382-D384 VanDerWaalsContact C-N 3.3Å
383T33.5Very low32Very low132 Ų132136.2 Ų136.281%0.8175%0.748SS**  trans-86.31.717943.70000113.6L381L381-T383 PolarHBondContact O-N 2.96Å
384D30.9Very low31.6Very low128 Ų128139 Ų13968%0.68475%0.751SS**  trans-101.933.2-171.5-86.4-35.8000115.3P382 Q386P382-D384 VanDerWaalsContact C-N 3.3Å; D384-Q386 VanDerWaalsContact C-N 3.25Å; D384-Q386 PolarHBondContact O-N 2.92Å
385D36.5Very low31.4Very low109 Ų109137.6 Ų137.658%0.58375%0.746SS**THydrogen-bonded Turntrans-88.436.5173-90.6-14.3000113.4S220S220-D385 WeakPolarHBondContact CB-OD1 3.43Å
386Q33.7Very low31.3Very low190 Ų190136.8 Ų136.889%0.88874%0.741SS**THydrogen-bonded Turntrans-129.6-15167.5-71.1-164.74.600115.7D384D384-Q386 VanDerWaalsContact C-N 3.25Å; D384-Q386 PolarHBondContact O-N 2.92Å
387K28.8Very low31Very low195 Ų195136 Ų13685%0.84873%0.733SS**SBendtrans-151.564.7-175.3-73.5-171.4176.5170.20115.7
388A29.3Very low30.7Very low89 Ų89134.2 Ų134.274%0.73673%0.728SS**  trans-156.8104.5160.900000113.4
389I31.3Very low30.6Very low160 Ų160138.9 Ų138.982%0.82173%0.733SS**  trans-133.4121.6162.2-61.9-179.2000108.3
390S32.4Very low30.2Very low88 Ų88136.9 Ų136.962%0.61573%0.733SS**  trans-81.5149.6176.4640000111.5S392S390-S392 PolarHBondContact O-N 2.87Å
391P27.6Very low30.1Very low134 Ų134136.7 Ų136.787%0.8774%0.738SS**SBendtrans-86.965.8-167.935.2-37.2000113.4
392S29.4Very low29.9Very low95 Ų95136 Ų13666%0.66474%0.741SS**SBendtrans-150.943.1178.658.40000117.4S390S390-S392 PolarHBondContact O-N 2.87Å
393K30.4Very low29.8Very low211 Ų211138.6 Ų138.692%0.91775%0.748SS**  trans-165.580.3154-106.1155.8-172.9-1790110.3A395K393-A395 PolarHBondContact O-N 2.72Å
394R27.4Very low29.5Very low252 Ų252136.9 Ų136.995%0.95174%0.742SS**  trans-98.468.1-164.8-161.9-173.3-129171.53.3113.7
395A28.1Very low29.6Very low83 Ų83135.9 Ų135.969%0.68675%0.745SS**SBendtrans-169.4147.2157.400000109.1K393K393-A395 PolarHBondContact O-N 2.72Å
396I29.9Very low29.4Very low108 Ų108139.4 Ų139.455%0.55476%0.757SS**SBendtrans83.5122.1-177.5-52.9162000113.3P89P89-I396 HydrophobicContact CG-CG2 4.26Å
397V27.6Very low29.2Very low91 Ų91134.6 Ų134.655%0.55274%0.743SS**  trans56.896.1-174.8-165.50000116.1
398H28.5Very low29.4Very low159 Ų159136.5 Ų136.574%0.73675%0.746SS**  trans-137.6156156.6-134.1-87.4000107.2
399W30.5Very low29.3Very low211 Ų211139.3 Ų139.380%0.79975%0.748SS**  trans84.578.4-180-56.881.6000117.4
400A26.5Very low29.3Very low76 Ų76139.5 Ų139.563%0.62875%0.75SS**SBendtrans-147.825.6153.300000113.6A103A103-A400 HydrophobicContact CB-CB 4.07Å
401T27.3Very low29.1Very low148 Ų148140.3 Ų140.391%0.90876%0.755SS**SBendtrans-145.231.3-177.844.60000114.3
402S28Very low29.2Very low83 Ų83140 Ų14058%0.5875%0.754SS**  trans-140.786.7168.2-1670000111.9
403L28Very low29.4Very low169 Ų169141.1 Ų141.189%0.88576%0.761SS**  trans-118.370.4168.7-83.9173000110.1
404S27.8Very low29.2Very low96 Ų96136.7 Ų136.767%0.67176%0.757SS**SBendtrans-171135.5151.852.20000110.5
405S32.7Very low29.4Very low107 Ų107131 Ų13175%0.74875%0.75SS**  trans63.3141.9-179690000116.2
406H32.6Very low29.5Very low182 Ų182136.4 Ų136.484%0.84376%0.758SS**  cis-153.8174.6-0.3-124.849000109.5
407P30.3Very low29.4Very low90 Ų90136.2 Ų136.258%0.58477%0.767SS**  trans-97.3160.6-15837.8-36.5000115.8
408Y31.8Very low29.7Very low235 Ų235143 Ų14392%0.92278%0.782SS**  trans-132.4114.9151.8-85.5-77.4000111.9
409L28.1Very low29.7Very low148 Ų148142.3 Ų142.378%0.77578%0.784SS**  trans-68.2154.6159.1-62.9154.3000107.7
410L30.8Very low29.8Very low164 Ų164139.9 Ų139.986%0.85979%0.786SS**  -157.9165.859.5-83.6162.7000113.3
411S28.5Very low30.1Very low104 Ų104145.1 Ų145.173%0.72779%0.794SS**  trans-75.2162.9-169.248.60000117
412P30Very low30.1Very low129 Ų129148.1 Ų148.184%0.83880%0.795SS**  trans-84.8155.5176.535.6-36000113.5
413S31.9Very low30.4Very low118 Ų118149.2 Ų149.283%0.82581%0.809SS**  trans-141.1119.4165.662.80000111.9
414S27.1Very low30.6Very low118 Ų118147.1 Ų147.183%0.82581%0.809SS**  trans-87.3128.9176.755.20000112.5
415T32.3Very low30.7Very low131 Ų131146.2 Ų146.280%0.80481%0.814SS**  trans-158.9115.5150.512.90000114.2
416K30.3Very low30.7Very low197 Ų197147.5 Ų147.586%0.85782%0.817SS**  trans41.6111.1142.6-64.3-178.6177.5178.10121.4
417S27.4Very low30.8Very low105 Ų105147.3 Ų147.373%0.73482%0.816SS**  55.8113.2120.2-168.20000120.4
418R32.4Very low30.7Very low234 Ų234148.2 Ų148.288%0.88382%0.823SS**  -168.3160.5103.9-102.9172.6179.1172.3-0.5112.5
419D29.8Very low30.9Very low144 Ų144144.3 Ų144.377%0.7782%0.818SS**  trans-67.4147.1-171-50.4-96.6000114.8
420L32Very low31.2Very low159 Ų159140.5 Ų140.583%0.83282%0.815SS**  -174.1115.7123.1-100.8154.3000114.7
421K33.3Very low31.3Very low187 Ų187138.7 Ų138.781%0.81382%0.817SS**  trans21108.7148.1-64.6176.5-179.5175.50120.6
422K28.1Very low31.5Very low210 Ų210139.7 Ų139.791%0.91382%0.821SS**  50.697.9111.1-164.6-176.9-171.4-178.90118.5
423A33.2Very low31.8Very low106 Ų106138.8 Ų138.888%0.87682%0.817SS**  trans-147.7145.1145.100000110.4
424S31.3Very low31.9Very low126 Ų126141.1 Ų141.188%0.88182%0.82SS**  trans-98.5144.5-173.6500000112.8
425G30.4Very low32.1Very low76 Ų76143.1 Ų143.178%0.78482%0.819SS**  trans139.8103.1162.500000113.5
426V32.6Very low32.1Very low135 Ų135141.7 Ų141.782%0.81881%0.812SS**  trans-120.299.5164.11800000107.5
427H34.6Very low32.2Very low177 Ų177142 Ų14282%0.81981%0.814SS**  trans-89.8125.9157.2-115.7-78.9000106.8
428C29.8Very low32.4Very low109 Ų109141.8 Ų141.874%0.73682%0.818SS**  trans-90.3118.8166.1-62.90000107.8
429D34.4Very low32.2Very low153 Ų153138 Ų13882%0.81882%0.815SS**  trans-154.2148.1164.1-106.2-38.8000113.8
430G34.2Very low32.3Very low69 Ų69138.1 Ų138.171%0.71182%0.821SS**  trans20.2127.315800000122.8
431S33.8Very low32.2Very low126 Ų126135.5 Ų135.588%0.88181%0.812SS**  trans-55.9155.7160.4-54.40000113.5
432P33.8Very low31.9Very low125 Ų125133.7 Ų133.781%0.81281%0.811SS**  trans-98.2143.6-161.736.4-35000115.9
433S35.6Very low31.9Very low109 Ų109127.5 Ų127.576%0.76280%0.799SS**  trans-158.2106.2147.460.70000112.6
434L32.7Very low31.7Very low168 Ų168128.5 Ų128.588%0.8880%0.8SS**  trans19.7131.4133.1-63.5160.6000116.8
435I33.1Very low31.7Very low159 Ų159126 Ų12682%0.81579%0.793SS**  cis-156.7158.342-67.8-176.2000110
436P31.8Very low31.6Very low102 Ų102128 Ų12866%0.66279%0.794SS**  trans-120.3174.3-161.943-32.4000118.9
437K31.4Very low31.6Very low204 Ų204129.5 Ų129.589%0.88779%0.792SS**  trans84.9147.8166.1-55.7178.2-178.7177.90116.1
438A31.7Very low31.2Very low99 Ų99126.6 Ų126.682%0.81878%0.783SS**  cis-145.1171.419.200000115.5
439N28.1Very low31.2Very low155 Ų155128.7 Ų128.783%0.82979%0.785SS**  trans-80.8159.8179.8-55.7-20.5000114
440V31.6Very low31Very low146 Ų146124.6 Ų124.689%0.88578%0.779SS**  -152.6155.6126.6170.60000108.6
441T30.3Very low30.7Very low105 Ų105125.6 Ų125.664%0.64478%0.781SS**  trans-108.5173.6-167.950.30000115.4
442D28.1Very low30.6Very low148 Ų148127.5 Ų127.579%0.79178%0.78SS**  trans102121.4139.5-71.7-46.9000124.3
443A27.9Very low30.4Very low80 Ų80127.7 Ų127.766%0.66177%0.774SS**  90.2107.8124.200000123.9
444S28.8Very low30.4Very low128 Ų128130.2 Ų130.290%0.89577%0.771SS**  86.7143.1120.676.20000121.8
445G31.3Very low30.3Very low72 Ų72126.7 Ų126.774%0.74276%0.761SS**  trans159.380.9164.800000118
446C28.7Very low30.3Very low120 Ų120126 Ų12681%0.81176%0.759SS**  trans51129.2148.6-62.10000122.2
447Q31Very low30.1Very low166 Ų166126.1 Ų126.178%0.77676%0.762SS**  70.814164.4-72-170.36.600114.2
448N27.9Very low30.2Very low115 Ų115122 Ų12262%0.61575%0.754SS**  cis-171.5161.910.9-122.2-16.8000113.9
449I30Very low30Very low153 Ų153126.3 Ų126.379%0.78575%0.754SS**  trans63.5150.6147.4-58.1160.1000117.9
450G28.3Very low30.1Very low68 Ų68123.8 Ų123.870%0.70175%0.749SS**  cis124.9150.9700000111.5
451A29.1Very low30.1Very low90 Ų90125.1 Ų125.174%0.74475%0.75SS**  cis-171.1-176.3-7.700000111
452L32.3Very low30.2Very low166 Ų166123.3 Ų123.387%0.86975%0.752SS**  trans73.9167.5169.9-79.475.7000120
453D29.6Very low30.5Very low128 Ų128122.5 Ų122.568%0.68476%0.758SS**  cis178.4165.4-41.9-167.415.2000110.5
454K33.9Very low30.7Very low162 Ų162126.7 Ų126.770%0.70477%0.769SS**  trans83.5101.6156.9-60.7-173.6-177.2172.70125.3
455S31.3Very low31Very low95 Ų95126.4 Ų126.466%0.66476%0.764SS**  59.1149111.774.10000126.7
456N32.4Very low31.1Very low145 Ų145127.9 Ų127.978%0.77576%0.763SS**  trans89.7109.2156.4-63.9-13.6000118.1
457S29.3Very low31.3Very low104 Ų104127.6 Ų127.673%0.72776%0.761SS**  88.3148.286.9840000112.4
458V31.9Very low31.3Very low116 Ų116125 Ų12570%0.70376%0.761SS**  cis-173146.438.7104.10000111.3
459F29Very low31.6Very low190 Ų190124 Ų12483%0.83377%0.768SS**  trans75.5166.6150.4-79.4-111.5000125.7
460S30.1Very low31.9Very low102 Ų102123 Ų12371%0.71377%0.769SS**  trans-128.7-163-151.6-460000114.8
461L31.2Very low32Very low174 Ų174123.8 Ų123.891%0.91176%0.764SS**  trans91.8134.8175-65.6108000115.9
462G31.4Very low32.2Very low67 Ų67125.8 Ų125.869%0.69176%0.762SS**  cis173-179.2-6.900000114.4
463S34.5Very low32.4Very low131 Ų131125.3 Ų125.392%0.91676%0.755SS**  trans88.4124.2156.1-54.60000122.5
464L32Very low32.6Very low168 Ų168123.8 Ų123.888%0.8875%0.747SS**  trans-75.4-173.8166.2-82.6155.9000111.6
465P36.6Very low32.6Very low122 Ų122125.8 Ų125.879%0.79275%0.75SS**  cis-147.4-165.922.142.9-19.1000119.1
466S33Very low32.6Very low103 Ų103128.3 Ų128.372%0.7276%0.757SS**  trans-87.4166.1-169.354.70000118.9
467C33.8Very low32.4Very low115 Ų115128.5 Ų128.578%0.77776%0.763SS**  trans-160.1121.7136.8-90.90000108.7
468S30.5Very low32.4Very low110 Ų110128.5 Ų128.577%0.76976%0.762SS**  50129.994.865.20000113.4
469A33.8Very low32.2Very low94 Ų94128.1 Ų128.178%0.77777%0.765SS**  cis-172170.44200000108.5
470V35.1Very low32.2Very low133 Ų133125.7 Ų125.781%0.80676%0.761SS**  cis-161.4171.2-3.6117.10000111.6
471S32Very low32.1Very low84 Ų84130 Ų13059%0.58777%0.77SS**  trans-39.7172.1172.675.10000120.1
472N32.4Very low32.1Very low133 Ų133126.9 Ų126.971%0.71175%0.75SS**  cis-165174.534-122.9-22000114
473H37.7Very low32Very low156 Ų156132 Ų13272%0.72276%0.756SS**  trans76.3138.7167.9-64.2-45.6000119.2
474D34Very low31.9Very low96 Ų96133.8 Ų133.851%0.51374%0.744SS.*  cis-161.3148.6-17.2-125.427.2000109.3
475R31.9Very low32.1Very low204 Ų204129.9 Ų129.977%0.7772%0.724SS**  trans83.5137.1147.4-74.5171.7-138.8-154.1-0.1124.3
476D31.6Very low32.6Very low148 Ų148126.1 Ų126.179%0.79170%0.697SS**  trans81.696.4145.3-56.1-12.5000120.5
477V28.5Very low33.1Very low149 Ų149125.2 Ų125.290%0.90368%0.684SS**  trans-80.1123.8162.3172.70000109.3
478S30.3Very low33.6Very low103 Ų103122 Ų12272%0.7266%0.659SS**  trans-140.2120.815561.50000109.9
479S27.2Very low34.3Very low108 Ų108118.4 Ų118.476%0.75563%0.632SS**  trans-75.3121.6173.950.10000110.8
480D29.5Very low34.6Very low140 Ų140119 Ų11975%0.74962%0.622SS**  trans-136.3115.5161.5-87.2-48.8000108.6
481E28.2Very low34.7Very low193 Ų193122.1 Ų122.190%0.90262%0.621SS**  trans-88.7112174.9-63.6-176.6155.400109.4
482E30.2Very low34.9Very low107 Ų107121.7 Ų121.750%0.561%0.612SS.*  trans-125.199.5163.9-70.1-162.6-178.700110.2Y484 K563E482-Y484 HydrophobicContact CB-CD2 4.34Å; E482-Y484 HydrophobicContact CB-CE2 3.88Å; E482-Y484 WeakPolarHBondContact O-CD2 3.47Å; E482-Y484 PolarHBondContact O-N 3.12Å; E482-Y484 PolarHBondContact OE2-OH 2.94Å; E482-K563 IonicContact OE1-NZ 3.27Å; E482-K563 PolarHBondContact OE1-NZ 3.1Å
483E28.6Very low34.7Very low176 Ų176119.1 Ų119.182%0.82260%0.604SS**  trans-77.392.6-177.9-171.5172.9-146.300111.2D485E483-D485 PolarHBondContact O-N 3.04Å
484Y34.1Very low34.3Very low167 Ų167120.1 Ų120.166%0.65561%0.609SS**  trans-79.974.1179.3-80.3-87.3000113.3E482 D486E482-Y484 HydrophobicContact CB-CD2 4.34Å; E482-Y484 HydrophobicContact CB-CE2 3.88Å; E482-Y484 WeakPolarHBondContact O-CD2 3.47Å; E482-Y484 PolarHBondContact O-N 3.12Å; E482-Y484 PolarHBondContact OE2-OH 2.94Å; Y484-D486 VanDerWaalsContact C-N 3.31Å; Y484-D486 PolarHBondContact O-N 3.31Å
485D35.9Very low34.1Very low87 Ų87122.9 Ų122.947%0.46562%0.619SS.*  trans-66.181.8170.3-97.6-15.2000112.3H12 K164 E483H12-D485 IonicContact CE1-OD2 2.68Å; H12-D485 IonicContact NE2-OD2 3.43Å; K164-D485 PolarHBondContact NZ-O 3.44Å; E483-D485 PolarHBondContact O-N 3.04Å
486D46.4Very low33.9Very low42 Ų42121.1 Ų121.123%0.22562%0.619CS.*  trans-132.712.7176.5-95.3-21.7000114.2K164 Y484 D488K164-D486 IonicContact NZ-OD1 2.82Å; K164-D486 PolarHBondContact NZ-OD1 3.1Å; Y484-D486 VanDerWaalsContact C-N 3.31Å; Y484-D486 PolarHBondContact O-N 3.31Å; D486-D488 PolarHBondContact O-N 2.9Å; D486-D488 VanDerWaalsContact O-N 3.14Å
487D43.2Very low33.8Very low84 Ų84123.7 Ų123.745%0.44962%0.619SS.*THydrogen-bonded Turntrans-78.518.7172.8-74-17.7000113.2R11 K339R11-D487 PolarHBondContact NH1-O 2.96Å; K339-D487 IonicContact NZ-OD1 2.66Å
488D45.6Very low33.8Very low47 Ų47123.5 Ų123.525%0.25161%0.613SS.*THydrogen-bonded Turntrans-78.7-15.6-177.5-131.937.2000114.4R11 K128 D486R11-D488 WeakPolarHBondContact CD-OD1 3.4Å; R11-D488 IonicContact CZ-OD1 3.74Å; R11-D488 IonicContact NE-OD1 3.95Å; R11-D488 IonicContact NH1-OD1 2.73Å; R11-D488 PolarHBondContact NH1-OD1 3.29Å; K128-D488 IonicContact NZ-OD2 2.92Å; K128-D488 PolarHBondContact NZ-OD2 2.73Å; D486-D488 PolarHBondContact O-N 2.9Å; D486-D488 VanDerWaalsContact O-N 3.14Å
489D44.6Very low33.7Very low36 Ų36126 Ų12619%0.19362%0.618CS.*SBendtrans-124.311.4174.9-31.9-47.9000112.8K128 K337K128-D489 IonicContact NZ-OD1 3.71Å; K337-D489 WeakPolarHBondContact CE-OD2 3.41Å; K337-D489 IonicContact NZ-OD2 2.71Å; K337-D489 PolarHBondContact NZ-OD2 2.83Å
490N39.6Very low33.8Very low107 Ų107126.3 Ų126.357%0.57262%0.619SS**SBendtrans-104.63.1-173.9-15744.9000113.9
491Y36.8Very low33.6Very low198 Ų198126.6 Ų126.678%0.77662%0.621SS**SBendtrans-120.112.3-174.5-123.8-78.6000114
492D36.6Very low33.6Very low75 Ų75124.4 Ų124.440%0.40161%0.614SS.*SBendtrans-12419.5-177.7-124.7-1.1000112.1K125K125-D492 WeakPolarHBondContact CE-OD2 3.44Å; K125-D492 IonicContact NZ-OD1 2.62Å; K125-D492 PolarHBondContact NZ-OD1 3.13Å; K125-D492 IonicContact NZ-OD2 3.67Å; K125-D492 PolarHBondContact NZ-OD2 2.98Å
493S28.9Very low33.3Very low79 Ų79127.7 Ų127.755%0.55263%0.629SS**  trans-119.6137.3175.2570000111.4
494E29.5Very low33.3Very low176 Ų176125 Ų12582%0.82262%0.624SS**  trans86.856.3179.7-54-171.9-165.300117.1
495E28.5Very low32.8Very low155 Ų155124.4 Ų124.472%0.72463%0.627SS**  trans-94.2104.1140.6-79.5-174.1168.400108.8Y497E495-Y497 PolarHBondContact O-N 2.72Å
496H27.8Very low32.6Very low167 Ų167129.2 Ų129.277%0.77365%0.646SS**  trans-72.1105.4169.1-93.3-67000109.8
497Y30.9Very low31.5Very low201 Ų201135.6 Ų135.679%0.78867%0.672SS**PPolyproline II helixtrans-84.8119.5159.6-86.2-88.4000109.2E495E495-Y497 PolarHBondContact O-N 2.72Å
498N28.1Very low30.8Very low145 Ų145138.2 Ų138.278%0.77569%0.692SS**PPolyproline II helixtrans-73.7129.2173.8-74.8-33.6000110.1C500N498-C500 PolarHBondContact O-N 3.37Å
499D27.8Very low29.8Very low155 Ų155141.9 Ų141.983%0.82972%0.716SS**PPolyproline II helixtrans-64.4123.8170.7-93.4-41.9000111.1
500C28.3Very low28.9Very low116 Ų116149.8 Ų149.878%0.78475%0.749SS**  trans-100.693.5158.3-71.90000108.7N498 I502N498-C500 PolarHBondContact O-N 3.37Å; C500-I502 PolarHBondContact O-N 2.89Å
501N25.6Very low28.4Very low145 Ų145150.3 Ų150.378%0.77576%0.758SS**  trans-53.7122.6171.4-90.2-37.7000111.1
502I28Very low27.8Very low148 Ų148147.1 Ų147.176%0.75976%0.759SS**  trans-123.2106.8160.6-60.9-178.5000107.7C500C500-I502 PolarHBondContact O-N 2.89Å
503H24.5Very low27.3Very low176 Ų176150.2 Ų150.282%0.81578%0.781SS**  trans-64.7132.4171.6-94.5-87.6000110.7
504V28.5Very low27.1Very low118 Ų118151.9 Ų151.972%0.71579%0.788SS**  trans-135.3103156.3-176.40000108
505E23.7Very low27Very low156 Ų156150.2 Ų150.273%0.72979%0.79SS**  trans-68.3143.8161.8-68.7-171.8112.300109.4
506H31.7Very low26.9Very low187 Ų187148.6 Ų148.687%0.86679%0.791SS**  trans-152.7119144.6-98.9-69.2000111.5
507K23.4Very low26.9Very low177 Ų177145.7 Ų145.777%0.7779%0.789SS**  trans-76.5139.1164.4-65.3167.1178.4165.50109.5
508T28.3Very low26.8Very low139 Ų139144 Ų14485%0.85379%0.793SS**  173.7152.3111.332.50000113.4
509T23.9Very low26.7Very low124 Ų124144.6 Ų144.676%0.76180%0.795SS**  trans-97.4143.7-172.1-41.30000111.6
510F27.5Very low26.7Very low201 Ų201149.1 Ų149.188%0.88280%0.801SS**  trans-153.6151.6147.9-82.8-61.3000112
511P27.3Very low26.6Very low118 Ų118150.4 Ų150.477%0.76680%0.799SS**  trans-94.9166.6-165.137.6-36.9000115.5
512V24.2Very low26.9Very low132 Ų132150.3 Ų150.380%0.880%0.804SS**  trans-95.9145.6176.1174.80000111
513T27.2Very low26.9Very low139 Ų139150.8 Ų150.885%0.85381%0.809SS**  trans-117.7128166.3-34.80000110.2
514T24.5Very low27.2Very low114 Ų114148 Ų14870%0.69981%0.809SS**  trans-93.9150.1-177.3-50.10000111.5
515T28.1Very low27.1Very low142 Ų142148.2 Ų148.287%0.87182%0.815SS**  trans-137.6148.1159-10.50000111.3
516T25.9Very low27.5Very low121 Ų121147 Ų14774%0.74282%0.821SS**  trans-117.2170.1-156.76.90000113.9
517S27.2Very low27.3Very low105 Ų105142.8 Ų142.873%0.73481%0.813SS**  trans78.8151.5159.688.30000116.2
518L29.7Very low27.5Very low166 Ų166141.7 Ų141.787%0.86982%0.815SS**  cis-137.1157.78-83.8168.2000112.3
519L24.9Very low27.6Very low158 Ų158143 Ų14383%0.82782%0.816SS**  trans-80.7149.4170.4-78.3141.7000113
520R28.9Very low27.8Very low250 Ų250141.5 Ų141.594%0.94382%0.815SS**  trans-143.4123.8145.3-84.2-166.6178.3176.60.5111.5
521N26.6Very low28.1Very low142 Ų142140 Ų14076%0.75981%0.811SS**  trans-79.3145.8170.3-81.2-17.6000111.4
522T30.8Very low28.1Very low143 Ų143143.5 Ų143.588%0.87781%0.814SS**  trans-143.7125.8143.845.30000109.7
523N27.3Very low28.6Very low159 Ų159147.6 Ų147.685%0.8582%0.815SS**  trans-84.7140.9174.9-75.9-32.5000111.2
524S32Very low28.7Very low118 Ų118148.3 Ų148.383%0.82581%0.814SS**  trans-161.7119.4148.254.90000110.8
525S25.9Very low29.1Very low121 Ų121152.5 Ų152.585%0.84682%0.822SS**  trans-84.5155.7164.3-500000109.9
526P31.8Very low29.3Very low131 Ų131150.1 Ų150.185%0.85181%0.812SS**  -133.7168.6123.418.61.3000113.5
527S28.2Very low29.4Very low99 Ų99152.6 Ų152.669%0.69282%0.82SS**  trans-103.4168-166.155.90000113.6
528L28.2Very low29.7Very low154 Ų154158.7 Ų158.781%0.80683%0.826SS**  trans62.4121.5154.2-66.7160.5000119
529L28.9Very low29.9Very low167 Ų167158.9 Ų158.987%0.87482%0.823SS**  -165.6121.6112.9-105.3153000111.3
530A29.1Very low30.2Very low91 Ų91162.8 Ų162.875%0.75283%0.826SS**  trans-87.6126.4176.400000110.7
531H32.9Very low30.2Very low169 Ų169156 Ų15678%0.78281%0.813SS**  trans-104.196.6170.4-106.3-59.5000111.4R533H531-R533 PolarHBondContact O-N 3.39Å
532K28.9Very low30.6Very low193 Ų193157.4 Ų157.484%0.83982%0.815SS**  trans-64.7127.4157.8-73.9-178.9175.6179.20108.8
533R33.7Very low30.6Very low218 Ų218160 Ų16082%0.82381%0.814SS**  trans-124103.2159-88.7-175.1168.7148.1-0.7109.2H531H531-R533 PolarHBondContact O-N 3.39Å
534N28.5Very low30.9Very low154 Ų154161 Ų16182%0.82482%0.818SS**  trans-65.8133.9164.5-65.3-26.5000108.5
535F33.7Very low30.9Very low201 Ų201161.9 Ų161.988%0.88281%0.814SS**  trans-115.7118.2158.9-118-88.4000110
536S31.9Very low31Very low93 Ų93162.2 Ų162.265%0.6581%0.811SS**  trans-76.2123.9-177.7176.60000110.2
537L29.2Very low31Very low173 Ų173161.7 Ų161.791%0.90681%0.81SS**  trans-56.4136.1156.3-77.1156.9000109.2
538R32.9Very low30.9Very low232 Ų232164.2 Ų164.288%0.87581%0.814SS**  trans-130.8132163.8-90-169.3172.8-171.6-1.9110
539H32.7Very low31.1Very low171 Ų171166.7 Ų166.779%0.79282%0.819SS**  trans-53.3151.9-178.9-85-111.3000114.3T541H539-T541 PolarHBondContact ND1-OG1 2.96Å
540R32.8Very low31.1Very low239 Ų239163.2 Ų163.290%0.90281%0.808SS**  trans-132.7127.4139.4-152.7171.9-174.6169.31.5108.6
541T28.9Very low31.2Very low108 Ų108165.3 Ų165.366%0.66381%0.807SS**  trans-136.5117.2-171.7-8.10000109.2H539H539-T541 PolarHBondContact ND1-OG1 2.96Å
542E35.1Very low31Very low172 Ų172165.3 Ų165.380%0.80481%0.807SS**  trans-15495.3169.3-102.4156-159.100105.5
543K31Very low31.2Very low197 Ų197161.4 Ų161.486%0.85780%0.804SS**  52.9105.195.1-78.7-170.7175.4-179.60114.4
544L33.4Very low30.9Very low180 Ų180157.4 Ų157.494%0.94280%0.804SS**  -153.8161.9118.2-125.4116.8000111.2
545N30.6Very low30.9Very low137 Ų137155.2 Ų155.273%0.73380%0.796SS**  trans-121.2155.5-153.4-117.8-2.4000112.8
546T29.2Very low30.7Very low128 Ų128153 Ų15379%0.78579%0.793SS**  trans56.5129.6151.357.40000118.8
547S31.4Very low30.5Very low119 Ų119154.8 Ų154.883%0.83280%0.8SS**  -164.715767.3-164.60000113.6
548I26.8Very low30.6Very low152 Ų152154.4 Ų154.478%0.77980%0.797SS**  trans-104.6142.5-179.6-65.8161.7000109.3
549K32.5Very low30.4Very low207 Ų207152.7 Ų152.790%0.980%0.796SS**  trans-161.3146.4141.7-111.5163.6-171.6-177.20113.3
550S27.2Very low30.3Very low93 Ų93150.7 Ų150.765%0.6580%0.796SS**  trans-104.8173.4-17055.60000113.1
551N31.6Very low30Very low136 Ų136145.3 Ų145.373%0.72779%0.792SS**  trans132.9145.8146.7-68.72.3000110.5
552Q29.4Very low30.1Very low168 Ų168147.7 Ų147.779%0.78580%0.801SS**  cis169.1165.1-23.3-117.8-176.5-11.300105.2
553S32Very low29.7Very low111 Ų111147.3 Ų147.378%0.77680%0.797SS**  trans80114.6172.771.70000116.6
554V28.9Very low29.6Very low134 Ų134144 Ų14481%0.81279%0.792SS**  81.9128.766.7159.80000111
555T28.1Very low29.2Very low109 Ų109143.4 Ų143.467%0.66979%0.785SS**  cis-148164.3-10.630.40000107.4
556D30.1Very low29.1Very low154 Ų154144.9 Ų144.982%0.82479%0.792SS**  -176.5167.199.1-89.4-9.6000113.1
557V27.8Very low29.1Very low131 Ų131144.2 Ų144.279%0.79479%0.788SS**  trans-103.1117.9-160.1176.90000113.3
558I30.5Very low29Very low164 Ų164147.7 Ų147.784%0.84179%0.788SS**  trans-136.7141.3155.8-59.5-175.9000109.7
559K27.9Very low29.3Very low197 Ų197144.4 Ų144.486%0.85778%0.777SS**  trans-81.6133.1-174.2-61.4167.3178.7172.90111.8
560T30.9Very low29.3Very low128 Ų128141.2 Ų141.279%0.78577%0.774SS**  trans-128.9150.3163.542.90000110.8
561P27.6Very low29.4Very low127 Ų127140.7 Ų140.783%0.82577%0.767SS**  trans-80.3158.1-169.632.3-35.7000113.7K563P561-K563 PolarHBondContact O-N 3.31Å
562N29.3Very low29.5Very low158 Ų158138.4 Ų138.485%0.84576%0.76SS**  trans-54.5113.9-172.9-67.1-33.4000114.1V564N562-V564 PolarHBondContact O-N 3.33Å
563K27.1Very low30Very low164 Ų164132.2 Ų132.271%0.71373%0.734SS**  trans-73.3103166.3-171.2162.1-172.51540109.3E482 P561 E565E482-K563 IonicContact OE1-NZ 3.27Å; E482-K563 PolarHBondContact OE1-NZ 3.1Å; P561-K563 PolarHBondContact O-N 3.31Å; K563-E565 PolarHBondContact O-N 3.49Å
564V28.5Very low30.2Very low126 Ų126129.3 Ų129.376%0.76471%0.711SS**  trans-84.3101.2172.9179.20000108.6N562 L566N562-V564 PolarHBondContact O-N 3.33Å; V564-L566 PolarHBondContact O-N 2.98Å
565E26.2Very low30.9Very low169 Ų169123.8 Ų123.879%0.7968%0.676SS**  trans-69.8112.8176.1-170.7175.5-172.900110.3K563 T567K563-E565 PolarHBondContact O-N 3.49Å; E565-T567 VanDerWaalsContact C-N 3.35Å; E565-T567 PolarHBondContact O-N 3.38Å
566L28.2Very low31Very low168 Ų168124.8 Ų124.888%0.8867%0.669SS**  trans-74.186.9176.7-105.2151.5000110.1V564 K568V564-L566 PolarHBondContact O-N 2.98Å; L566-K568 PolarHBondContact O-N 3.19Å
567T28.7Very low31.1Very low114 Ų114119.7 Ų119.770%0.69964%0.639SS**  trans-52.9131.6172.450.30000111.1E565E565-T567 VanDerWaalsContact C-N 3.35Å; E565-T567 PolarHBondContact O-N 3.38Å
568K29.5Very low31.2Very low192 Ų192117 Ų11784%0.83562%0.623SS**  trans-47.9122.6177-67.4174.4179174.10110.9L566 T570L566-K568 PolarHBondContact O-N 3.19Å; K568-T570 PolarHBondContact O-N 2.78Å; K568-T570 VanDerWaalsContact O-N 3.08Å
569P33.2Very low31.2Very low83 Ų83115 Ų11554%0.53961%0.608SS.*  trans-75.5103.4179.629-32.7000110.4T571P569-T571 PolarHBondContact O-N 3.38Å
570T32.4Very low31.3Very low139 Ų139110.7 Ų110.785%0.85359%0.591SS**  trans-79.231.6162.350.40000111.5K568 P572K568-T570 PolarHBondContact O-N 2.78Å; K568-T570 VanDerWaalsContact O-N 3.08Å; T570-P572 WeakPolarHBondContact O-CD 3.35Å
571T28.9Very low31.5Very low82 Ų82110 Ų11050%0.50359%0.589SS.*  trans-76.4115.7-175.1-44.90000109.2P569P569-T571 PolarHBondContact O-N 3.38Å
572P33.9Very low31.8Very low88 Ų88113 Ų11357%0.57159%0.592SS**  trans-64.3150.7-179.926.2-33.8000111T570 V574T570-P572 WeakPolarHBondContact O-CD 3.35Å; P572-V574 WeakPolarHBondContact O-CG2 3.49Å; P572-V574 PolarHBondContact O-N 2.99Å
573V39.9Very low31.9Very low39 Ų39113.2 Ų113.224%0.23659%0.592CS.*  trans-63.1106167.3175.20000107.7L325 L327 E331 H575L325-V573 HydrophobicContact CD1-CG1 4.01Å; L327-V573 HydrophobicContact CD2-CG1 3.79Å; L327-V573 HydrophobicContact CD2-CG2 4.39Å; E331-V573 HydrophobicContact CG-CG2 4.07Å; E331-V573 WeakPolarHBondContact OE2-CG2 3.15Å; V573-H575 PolarHBondContact O-CD2 3.17Å; V573-H575 PolarHBondContact O-N 2.89Å
574V37.3Very low32Very low49 Ų49117.2 Ų117.230%0.29760%0.603SS.*  trans-87.5101.8-170.3-153.40000111.4P572 Y576P572-V574 WeakPolarHBondContact O-CG2 3.49Å; P572-V574 PolarHBondContact O-N 2.99Å; V574-Y576 HydrophobicContact CB-CD2 3.98Å; V574-Y576 HydrophobicContact CB-CE2 3.54Å; V574-Y576 HydrophobicContact CG1-CD1 4.2Å; V574-Y576 HydrophobicContact CG1-CD2 3.65Å; V574-Y576 HydrophobicContact CG1-CE1 3.84Å; V574-Y576 HydrophobicContact CG1-CE2 3.24Å; V574-Y576 HydrophobicContact CG1-CG 4.12Å; V574-Y576 HydrophobicContact CG2-CE2 4.36Å
575H42.3Very low32.3Very low18 Ų18122.6 Ų122.68%0.08361%0.61CS.*  trans-80.9109.8164.7-66.3-103000108.7F279 V573 F577F279-H575 PolarHBondContact O-CE1 2.88Å; F279-H575 PolarHBondContact O-ND1 2.93Å; V573-H575 PolarHBondContact O-CD2 3.17Å; V573-H575 PolarHBondContact O-N 2.89Å; H575-F577 HydrophobicContact CB-CE2 4.23Å
576Y30.4Very low32.9Very low131 Ų131123.6 Ų123.651%0.51461%0.614SS.*  trans-104.4129.2175.2-71.1-81.6000110.2F324 V574F324-Y576 AromaticContact CE2-CD2 3.9Å; F324-Y576 HydrophobicContact CE2-CD2 3.9Å; F324-Y576 HydrophobicContact CE2-CG 4.37Å; F324-Y576 HydrophobicContact CZ-CD2 4Å; F324-Y576 HydrophobicContact CZ-CG 4.05Å; V574-Y576 HydrophobicContact CB-CD2 3.98Å; V574-Y576 HydrophobicContact CB-CE2 3.54Å; V574-Y576 HydrophobicContact CG1-CD1 4.2Å; V574-Y576 HydrophobicContact CG1-CD2 3.65Å; V574-Y576 HydrophobicContact CG1-CE1 3.84Å; V574-Y576 HydrophobicContact CG1-CE2 3.24Å; V574-Y576 HydrophobicContact CG1-CG 4.12Å; V574-Y576 HydrophobicContact CG2-CE2 4.36Å
577F33.8Very low33.3Very low46 Ų46121 Ų12120%0.20261%0.61CS.*BIsolated β-bridgetrans-110.5136.5168.6-59.4-87.9000109V280 V281 G285 H575 K579V280-F577 WeakPolarHBondContact O-CZ 3.17Å; V281-F577 WeakPolarHBondContact O-CZ 3.31Å; G285-F577 WeakPolarHBondContact O-CD2 3.48Å; H575-F577 HydrophobicContact CB-CE2 4.23Å; F577-K579 PolarHBondContact O-N 2.83Å
578V28.2Very low33.8Very low76 Ų76120.6 Ų120.646%0.46161%0.612SS.*  trans-74.993.5177.8-176.20000109.5
579K30.3Very low34.2Very low121 Ų121120 Ų12053%0.52661%0.612SS.*  trans-93.3114.9165.7-79.2-167.1173.3-167.30109.9S286 N288 F577S286-K579 VanDerWaalsContact CB-NZ 3.3Å; S286-K579 WeakPolarHBondContact O-CE 3.28Å; S286-K579 PolarHBondContact O-NZ 3.2Å; N288-K579 PolarHBondContact OD1-NZ 2.73Å; F577-K579 PolarHBondContact O-N 2.83Å
580H30.8Very low34.5Very low106 Ų106122.2 Ų122.249%0.49162%0.624SS.*  trans-76.8143.6170.6-71.2-68.4000111.5Q582H580-Q582 PolarHBondContact O-N 3.47Å
581P34.9Very low34.9Very low115 Ų115121 Ų12175%0.74762%0.616SS**  trans-63.6132.1170.9-19.932.2000111.5L583P581-L583 PolarHBondContact O-N 3.28Å; P581-L583 VanDerWaalsContact O-N 3.13Å
582Q33.2Very low35.3Very low188 Ų188124.5 Ų124.588%0.87963%0.631SS**  trans-69105.1171.1-74.8-75.4-3.300109.9H580 R584H580-Q582 PolarHBondContact O-N 3.47Å; Q582-R584 PolarHBondContact O-N 3.27Å
583L31.7Very low35.8Very low164 Ų164127.7 Ų127.786%0.85964%0.643SS**  trans-73107.4171.4-84.8168.9000110P581 R585P581-L583 PolarHBondContact O-N 3.28Å; P581-L583 VanDerWaalsContact O-N 3.13Å; L583-R585 PolarHBondContact O-N 3.32Å
584R30.7Very low35.9Very low247 Ų247134.9 Ų134.993%0.93267%0.674SS**  trans-63.894.4177.6-165-177.9-163.8175.94.3110.5Q582Q582-R584 PolarHBondContact O-N 3.27Å
585R34.8Very low36Very low240 Ų240137.8 Ų137.891%0.90670%0.697SS**  trans-77.4128.2167.4-85.8-174168.7176.6-3.3109.9L583L583-R585 PolarHBondContact O-N 3.32Å
586Q36.9Very low36.1Very low190 Ų190143.4 Ų143.489%0.88873%0.732SS**  trans-65.7133.3172.3-70.3169.1-32.500109.7S588Q586-S588 PolarHBondContact O-N 3.13Å
587S37.8Very low36.8Very low114 Ų114146.2 Ų146.280%0.79777%0.771SS**  trans-79.9105.7164.549.50000109E589S587-E589 PolarHBondContact O-N 2.78Å
588S39.4Very low37Very low105 Ų105151.3 Ų151.373%0.73480%0.799SS**  trans-76.1111.5165.552.80000109.1Q586 V590Q586-S588 PolarHBondContact O-N 3.13Å; S588-V590 PolarHBondContact O-N 3.11Å
589E38.1Very low37.4Very low178 Ų178155.2 Ų155.283%0.83282%0.817SS**  trans-64.2124.9166.6-71.9179.7126.800109.5S587S587-E589 PolarHBondContact O-N 2.78Å
590V39.3Very low37.8Very low131 Ų131157.1 Ų157.179%0.79483%0.833SS**  trans-95.492.5169177.60000107.3S588 L592S588-V590 PolarHBondContact O-N 3.11Å; V590-L592 PolarHBondContact O-N 3.41Å
591T39.7Very low38.3Very low113 Ų113160.1 Ų160.169%0.69385%0.853SS**  trans-77.8114.4171.1-45.10000109N593T591-N593 PolarHBondContact O-N 2.63Å
592L38.5Very low38.5Very low156 Ų156162.9 Ų162.982%0.81786%0.86SS**  trans-63.4125.8169.2-75.1158000109.7V590V590-L592 PolarHBondContact O-N 3.41Å
593N43.9Very low38.8Very low154 Ų154161.3 Ų161.382%0.82486%0.859SS**  trans-135.3121.4159.7-96.6-25.2000108.8T591T591-N593 PolarHBondContact O-N 2.63Å
594H41.5Very low39.3Very low191 Ų191161.1 Ų161.188%0.88486%0.859SS**  trans-70.4137.1172.2-83.7-72.3000110.5
595S39.1Very low40Very low110 Ų110154.5 Ų154.577%0.76985%0.853SS**  trans-92.9140.3159.449.60000110.7
596V45.6Very low40.4Very low135 Ų135147.3 Ų147.382%0.81885%0.849SS**  trans-136.4134.6159.31750000105.5
597S45.3Very low40.7Very low191 Ų191143.5 Ų143.5100%1.33685%0.845SS**  trans63.40-164.465.90000115.7

Retrieved 597 of 597 residues in 155.5 ms (Link to these results)

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