G4VCL9_SCHMA Loading...

Seipin

AlphaFold DB , UniProt , Accession G4VCL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 291 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
1M39.6Very low51.6Low244 Ų244143.5 Ų143.5100%1.20276%0.763SS**  070.10-78.1-178.2170.700110.2G3M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.36Å
2L41.4Very low51.9Low182 Ų182140.5 Ų140.595%0.95375%0.747SS**  trans-87.974.4170.6-83.6130000108K4L2-K4 PolarHBondContact O-N 3Å
3G45.7Very low53.1Low65 Ų65136.5 Ų136.567%0.6774%0.737SS**  trans-73.4110.7177.200000109.7M1 I5M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.36Å; G3-I5 PolarHBondContact O-N 3.45Å
4K49.1Very low54.2Low207 Ų207129.4 Ų129.490%0.970%0.703SS**  trans-46.2110.1175.3-74173.4174.4175.60110.6L2 G6L2-K4 PolarHBondContact O-N 3Å; K4-G6 VanDerWaalsContact C-N 3.27Å; K4-G6 PolarHBondContact O-N 2.88Å
5I53.6Low55.7Low146 Ų146124.9 Ų124.975%0.74968%0.677SS**  trans-7092.4165.1-62.7159.5000105.6G3 Y7G3-I5 PolarHBondContact O-N 3.45Å; I5-Y7 VanDerWaalsContact C-N 3.32Å; I5-Y7 HydrophobicContact CG2-CD2 3.86Å; I5-Y7 HydrophobicContact CG2-CE2 4.11Å; I5-Y7 PolarHBondContact O-N 3.1Å
6G50.6Low57.4Low72 Ų72121.4 Ų121.474%0.74266%0.663SS**  trans-68.792.4170.700000108.5K4 D8K4-G6 VanDerWaalsContact C-N 3.27Å; K4-G6 PolarHBondContact O-N 2.88Å; G6-D8 PolarHBondContact O-N 3.49Å
7Y50Low59Low200 Ų200125.6 Ų125.678%0.78467%0.667SS**  trans-64.8115.8165.9-107.3-90.6000107.9I5 T9I5-Y7 VanDerWaalsContact C-N 3.32Å; I5-Y7 HydrophobicContact CG2-CD2 3.86Å; I5-Y7 HydrophobicContact CG2-CE2 4.11Å; I5-Y7 PolarHBondContact O-N 3.1Å; Y7-T9 PolarHBondContact O-N 3.29Å
8D58.6Low60.5Low121 Ų121124.7 Ų124.765%0.64766%0.656SS**  trans-67.496.6171.9-173.2-1.1000108.9G6 S10G6-D8 PolarHBondContact O-N 3.49Å; D8-S10 VanDerWaalsContact CG-OG 3.29Å; D8-S10 PolarHBondContact O-N 2.96Å; D8-S10 WeakPolarHBondContact OD1-CB 3.26Å; D8-S10 PolarHBondContact OD1-N 2.01Å; D8-S10 PolarHBondContact OD1-OG 3.29Å; D8-S10 PolarHBondContact OD2-OG 2.75Å
9T58.9Low61.9Low99 Ų99121.1 Ų121.161%0.60765%0.646SS**THydrogen-bonded Turntrans-78.3-1.1179.953.30000112.7Y7 W11 L12 S13Y7-T9 PolarHBondContact O-N 3.29Å; T9-W11 VanDerWaalsContact C-N 3.32Å; T9-W11 PolarHBondContact O-N 2.86Å; T9-L12 WeakPolarHBondContact O-CB 3.15Å; T9-L12 PolarHBondContact O-N 2.65Å; T9-L12 VanDerWaalsContact O-N 3.09Å; T9-S13 PolarHBondContact O-N 2.89Å
10S60.6Low63.3Low70 Ų70119.6 Ų119.649%0.4964%0.637SS.*Hα-helixtrans-63-38.6178.869.90000111.9D8 L12 S13D8-S10 VanDerWaalsContact CG-OG 3.29Å; D8-S10 PolarHBondContact O-N 2.96Å; D8-S10 WeakPolarHBondContact OD1-CB 3.26Å; D8-S10 PolarHBondContact OD1-N 2.01Å; D8-S10 PolarHBondContact OD1-OG 3.29Å; D8-S10 PolarHBondContact OD2-OG 2.75Å; S10-L12 VanDerWaalsContact C-N 3.28Å; S10-L12 PolarHBondContact O-N 2.93Å; S10-S13 PolarHBondContact O-N 2.8Å; S10-S13 PolarHBondContact O-OG 3.26Å
11W59.1Low64.6Low172 Ų172118.6 Ų118.665%0.65263%0.628SS**Hα-helixtrans-61.1-38.5173.8-177.974.8000111.5T9 S13 S14 I15T9-W11 VanDerWaalsContact C-N 3.32Å; T9-W11 PolarHBondContact O-N 2.86Å; W11-S13 VanDerWaalsContact C-N 3.27Å; W11-S13 PolarHBondContact O-N 3.21Å; W11-S14 PolarHBondContact O-N 3.2Å; W11-S14 PolarHBondContact O-OG 3.29Å; W11-I15 HydrophobicContact CD2-CD1 3.98Å; W11-I15 HydrophobicContact CD2-CG1 4.14Å; W11-I15 HydrophobicContact CE3-CD1 3.47Å; W11-I15 VanDerWaalsContact CE3-CD1 3.47Å; W11-I15 HydrophobicContact CE3-CG1 4.15Å; W11-I15 HydrophobicContact CH2-CD1 3.59Å; W11-I15 HydrophobicContact CH2-CG1 4.1Å; W11-I15 HydrophobicContact CZ2-CD1 4.11Å; W11-I15 HydrophobicContact CZ2-CG1 4.11Å; W11-I15 HydrophobicContact CZ3-CD1 3.25Å; W11-I15 HydrophobicContact CZ3-CG1 4.13Å; W11-I15 WeakPolarHBondContact O-CG1 3.49Å; W11-I15 PolarHBondContact O-N 3.01Å
12L55.5Low66.9Low108 Ų108114.5 Ų114.557%0.56560%0.601SS**Hα-helixtrans-59.4-33.7179.6-132.491.2000112.8T9 S10 S14 I15 P16T9-L12 WeakPolarHBondContact O-CB 3.15Å; T9-L12 PolarHBondContact O-N 2.65Å; T9-L12 VanDerWaalsContact O-N 3.09Å; S10-L12 VanDerWaalsContact C-N 3.28Å; S10-L12 PolarHBondContact O-N 2.93Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 3.27Å; L12-I15 HydrophobicContact CD1-CD1 4.13Å; L12-I15 HydrophobicContact CG-CD1 4.18Å; L12-P16 WeakPolarHBondContact O-CD 3.41Å
13S67.2Low69.3Low88 Ų88108.7 Ų108.762%0.61558%0.578SS**Hα-helixtrans-70-24.8177.874.60000113.7T9 S10 W11 P16T9-S13 PolarHBondContact O-N 2.89Å; S10-S13 PolarHBondContact O-N 2.8Å; S10-S13 PolarHBondContact O-OG 3.26Å; W11-S13 VanDerWaalsContact C-N 3.27Å; W11-S13 PolarHBondContact O-N 3.21Å; S13-P16 WeakPolarHBondContact O-CD 3.08Å; S13-P16 VanDerWaalsContact O-CG 3.3Å; S13-P16 WeakPolarHBondContact O-CG 3.31Å
14S69.5Low71.6Confident37 Ų37110.4 Ų110.426%0.25957%0.572SS.*Hα-helixtrans-87.8-22.8179.678.90000113.9W11 L12 K18W11-S14 PolarHBondContact O-N 3.2Å; W11-S14 PolarHBondContact O-OG 3.29Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 3.27Å; S14-K18 WeakPolarHBondContact O-CG 3.47Å; S14-K18 PolarHBondContact O-N 3.46Å
15I76.6Confident73.5Confident62 Ų62104.3 Ų104.332%0.31855%0.549SS..Hα-helixtrans-58.6-49.2176.6-56.9168.7000112.1W11 L12 W17 K18 A19W11-I15 HydrophobicContact CD2-CD1 3.98Å; W11-I15 HydrophobicContact CD2-CG1 4.14Å; W11-I15 HydrophobicContact CE3-CD1 3.47Å; W11-I15 VanDerWaalsContact CE3-CD1 3.47Å; W11-I15 HydrophobicContact CE3-CG1 4.15Å; W11-I15 HydrophobicContact CH2-CD1 3.59Å; W11-I15 HydrophobicContact CH2-CG1 4.1Å; W11-I15 HydrophobicContact CZ2-CD1 4.11Å; W11-I15 HydrophobicContact CZ2-CG1 4.11Å; W11-I15 HydrophobicContact CZ3-CD1 3.25Å; W11-I15 HydrophobicContact CZ3-CG1 4.13Å; W11-I15 WeakPolarHBondContact O-CG1 3.49Å; W11-I15 PolarHBondContact O-N 3.01Å; L12-I15 HydrophobicContact CD1-CD1 4.13Å; L12-I15 HydrophobicContact CG-CD1 4.18Å; I15-W17 VanDerWaalsContact C-N 3.34Å; I15-W17 PolarHBondContact O-N 3.45Å; I15-K18 PolarHBondContact O-N 3.13Å; I15-A19 WeakPolarHBondContact O-CB 3.42Å; I15-A19 PolarHBondContact O-N 3.25Å
16P82.5Confident75.3Confident69 Ų69103.2 Ų103.245%0.44854%0.539SS..Hα-helixtrans-63.3-40.2-177.224.3-34.9000111.6L12 S13 K18 A19 I20L12-P16 WeakPolarHBondContact O-CD 3.41Å; S13-P16 WeakPolarHBondContact O-CD 3.08Å; S13-P16 VanDerWaalsContact O-CG 3.3Å; S13-P16 WeakPolarHBondContact O-CG 3.31Å; P16-K18 PolarHBondContact O-N 3.01Å; P16-A19 PolarHBondContact O-N 3.29Å; P16-I20 WeakPolarHBondContact O-CB 3.49Å; P16-I20 WeakPolarHBondContact O-CD1 3.03Å; P16-I20 WeakPolarHBondContact O-CG1 3.31Å; P16-I20 PolarHBondContact O-N 2.82Å
17W84.8Confident77.3Confident194 Ų194104.4 Ų104.474%0.73553%0.527SS*.Hα-helixtrans-64.6-43.3179.5-170.1-104.6000112.5I15 I20 H21I15-W17 VanDerWaalsContact C-N 3.34Å; I15-W17 PolarHBondContact O-N 3.45Å; W17-I20 PolarHBondContact O-N 3.4Å; W17-H21 WeakPolarHBondContact O-CB 3.5Å; W17-H21 PolarHBondContact O-N 2.89Å
18K85.7Confident79.4Confident109 Ų109100.3 Ų100.347%0.47452%0.517SS..Hα-helixtrans-63.4-43.6175.3-71.5170.7-177.6163.30111.2S14 I15 P16 H21 Y22S14-K18 WeakPolarHBondContact O-CG 3.47Å; S14-K18 PolarHBondContact O-N 3.46Å; I15-K18 PolarHBondContact O-N 3.13Å; P16-K18 PolarHBondContact O-N 3.01Å; K18-H21 PolarHBondContact O-N 3.17Å; K18-Y22 HydrophobicContact CB-CE2 4.22Å; K18-Y22 WeakPolarHBondContact O-CD2 3.2Å; K18-Y22 PolarHBondContact O-N 2.89Å
19A87.3Confident81Confident55 Ų5597.9 Ų97.946%0.45550%0.503SS..Hα-helixtrans-61.8-45.3178.300000112I15 P16 H21 Y22 A23I15-A19 WeakPolarHBondContact O-CB 3.42Å; I15-A19 PolarHBondContact O-N 3.25Å; P16-A19 PolarHBondContact O-N 3.29Å; A19-H21 VanDerWaalsContact C-N 3.35Å; A19-H21 PolarHBondContact O-N 2.88Å; A19-Y22 PolarHBondContact O-N 3.37Å; A19-A23 WeakPolarHBondContact O-CB 3.2Å; A19-A23 PolarHBondContact O-N 3.43Å
20I90Very high82.6Confident91 Ų9195.2 Ų95.247%0.46748%0.484SS..Hα-helixtrans-60.9-44.6175.6-67.5162.3000110.5P16 W17 Y22 A23 L24P16-I20 WeakPolarHBondContact O-CB 3.49Å; P16-I20 WeakPolarHBondContact O-CD1 3.03Å; P16-I20 WeakPolarHBondContact O-CG1 3.31Å; P16-I20 PolarHBondContact O-N 2.82Å; W17-I20 PolarHBondContact O-N 3.4Å; I20-Y22 PolarHBondContact O-N 3.41Å; I20-A23 PolarHBondContact O-N 3.03Å; I20-L24 HydrophobicContact CG2-CD1 4.09Å; I20-L24 HydrophobicContact CG2-CG 4.45Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 3.29Å
21H89.6Confident84.2Confident100 Ų10095.4 Ų95.446%0.46348%0.482SS..Hα-helixtrans-60.4-46.4178.4-177.570.8000112.4W17 K18 A19 L24 L25W17-H21 WeakPolarHBondContact O-CB 3.5Å; W17-H21 PolarHBondContact O-N 2.89Å; K18-H21 PolarHBondContact O-N 3.17Å; A19-H21 VanDerWaalsContact C-N 3.35Å; A19-H21 PolarHBondContact O-N 2.88Å; H21-L24 PolarHBondContact O-N 3.37Å; H21-L25 WeakPolarHBondContact NE2-CD1 3.39Å; H21-L25 WeakPolarHBondContact O-CG 3.5Å; H21-L25 PolarHBondContact O-N 3.43Å
22Y89.5Confident85.9Confident158 Ų15891.4 Ų91.462%0.6248%0.476SS*.Hα-helixtrans-66.2-37176.5-67.9-57.7000112.7K18 A19 I20 L25 F26K18-Y22 HydrophobicContact CB-CE2 4.22Å; K18-Y22 WeakPolarHBondContact O-CD2 3.2Å; K18-Y22 PolarHBondContact O-N 2.89Å; A19-Y22 PolarHBondContact O-N 3.37Å; I20-Y22 PolarHBondContact O-N 3.41Å; Y22-L25 PolarHBondContact O-N 3.34Å; Y22-F26 WeakPolarHBondContact O-CB 3.39Å; Y22-F26 PolarHBondContact O-N 2.84Å
23A91Very high87.7Confident59 Ų5986.3 Ų86.349%0.48845%0.449SS..Hα-helixtrans-63.5-41.3175.400000112A19 I20 F26 L27A19-A23 WeakPolarHBondContact O-CB 3.2Å; A19-A23 PolarHBondContact O-N 3.43Å; I20-A23 PolarHBondContact O-N 3.03Å; A23-F26 PolarHBondContact O-N 2.79Å; A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 PolarHBondContact O-N 3.34Å
24L92.8Very high89.1Confident101 Ų10185.9 Ų85.953%0.52944%0.44SS..Hα-helixtrans-65-43.8174.5-71.9173.3000111.8I20 H21 F26 L27 M28I20-L24 HydrophobicContact CG2-CD1 4.09Å; I20-L24 HydrophobicContact CG2-CG 4.45Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 3.29Å; H21-L24 PolarHBondContact O-N 3.37Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 2.83Å; L24-L27 PolarHBondContact O-N 3.06Å; L24-M28 VanDerWaalsContact O-CG 3.3Å; L24-M28 WeakPolarHBondContact O-CG 3.38Å; L24-M28 PolarHBondContact O-N 2.82Å
25L90.5Very high90.3Very high80 Ų8087 Ų8742%0.41945%0.451SS..Hα-helixtrans-61-42.4175.6-73.7178.2000112H21 Y22 M28 I29H21-L25 WeakPolarHBondContact NE2-CD1 3.39Å; H21-L25 WeakPolarHBondContact O-CG 3.5Å; H21-L25 PolarHBondContact O-N 3.43Å; Y22-L25 PolarHBondContact O-N 3.34Å; L25-M28 PolarHBondContact O-N 3.5Å; L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 2.73Å
26F90.8Very high91.2Very high123 Ų12389 Ų8954%0.53946%0.455SS..Hα-helixtrans-60.7-47.3175.5178.5-101.3000111.6Y22 A23 L24 M28 I29 E30Y22-F26 WeakPolarHBondContact O-CB 3.39Å; Y22-F26 PolarHBondContact O-N 2.84Å; A23-F26 PolarHBondContact O-N 2.79Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 2.83Å; F26-M28 VanDerWaalsContact C-N 3.32Å; F26-M28 PolarHBondContact O-N 2.96Å; F26-I29 PolarHBondContact O-N 2.81Å; F26-E30 HydrophobicContact CD1-CG 4.4Å; F26-E30 HydrophobicContact CE1-CG 3.92Å; F26-E30 HydrophobicContact CE2-CG 4.2Å; F26-E30 HydrophobicContact CZ-CG 3.8Å; F26-E30 PolarHBondContact O-N 2.78Å
27L92.8Very high91.9Very high96 Ų9685.7 Ų85.750%0.50343%0.434SS..Hα-helixtrans-58.3-45176-172160.5000111.3A23 L24 I29 E30 V31A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 PolarHBondContact O-N 3.34Å; L24-L27 PolarHBondContact O-N 3.06Å; L27-I29 VanDerWaalsContact C-N 3.34Å; L27-I29 PolarHBondContact O-N 3.47Å; L27-E30 PolarHBondContact O-N 3.09Å; L27-V31 HydrophobicContact CD2-CG2 3.81Å; L27-V31 WeakPolarHBondContact O-CG2 3.43Å; L27-V31 PolarHBondContact O-N 3.19Å
28M93.2Very high92.5Very high114 Ų11479.3 Ų79.356%0.56242%0.417SS*.Hα-helixtrans-62.2-40.4178.3-70-56.1-61.700112.3L24 L25 F26 V31 V32L24-M28 VanDerWaalsContact O-CG 3.3Å; L24-M28 WeakPolarHBondContact O-CG 3.38Å; L24-M28 PolarHBondContact O-N 2.82Å; L25-M28 PolarHBondContact O-N 3.5Å; F26-M28 VanDerWaalsContact C-N 3.32Å; F26-M28 PolarHBondContact O-N 2.96Å; M28-V31 PolarHBondContact O-N 2.81Å; M28-V32 VanDerWaalsContact O-CG2 3.3Å; M28-V32 WeakPolarHBondContact O-CG2 3.48Å; M28-V32 PolarHBondContact O-N 2.94Å
29I92.5Very high93Very high71 Ų7179.6 Ų79.636%0.36442%0.421SS..Hα-helixtrans-63.9-42.7176.2-69.5164.4000110.9L25 F26 L27 V32 T33 Y243L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 2.73Å; F26-I29 PolarHBondContact O-N 2.81Å; L27-I29 VanDerWaalsContact C-N 3.34Å; L27-I29 PolarHBondContact O-N 3.47Å; I29-V32 PolarHBondContact O-N 3.2Å; I29-T33 WeakPolarHBondContact O-CB 3.49Å; I29-T33 PolarHBondContact O-N 2.87Å; I29-T33 PolarHBondContact O-OG1 3.35Å; I29-Y243 HydrophobicContact CG2-CD2 3.92Å; I29-Y243 HydrophobicContact CG2-CE1 4.32Å; I29-Y243 HydrophobicContact CG2-CE2 3.36Å
30E92.6Very high93.4Very high43 Ų4378.5 Ų78.520%0.20141%0.408CS..Hα-helixtrans-64.8-42.1176.9-72.5-60.9152.100111.8F26 L27 V32 T33 L34 N240F26-E30 HydrophobicContact CD1-CG 4.4Å; F26-E30 HydrophobicContact CE1-CG 3.92Å; F26-E30 HydrophobicContact CE2-CG 4.2Å; F26-E30 HydrophobicContact CZ-CG 3.8Å; F26-E30 PolarHBondContact O-N 2.78Å; L27-E30 PolarHBondContact O-N 3.09Å; E30-V32 PolarHBondContact O-N 3.44Å; E30-T33 WeakPolarHBondContact O-CB 3.36Å; E30-T33 PolarHBondContact O-N 3.32Å; E30-L34 VanDerWaalsContact O-CG 3.31Å; E30-L34 WeakPolarHBondContact O-CG 3.48Å; E30-L34 PolarHBondContact O-N 2.81Å; E30-N240 PolarHBondContact OE1-ND2 2.83Å
31V94.6Very high93.7Very high74 Ų7475.3 Ų75.345%0.44839%0.391SS..Hα-helixtrans-61.2-43175.2171.20000111.6L27 M28 T33 L34 A35L27-V31 HydrophobicContact CD2-CG2 3.81Å; L27-V31 WeakPolarHBondContact O-CG2 3.43Å; L27-V31 PolarHBondContact O-N 3.19Å; M28-V31 PolarHBondContact O-N 2.81Å; V31-T33 VanDerWaalsContact C-N 3.34Å; V31-L34 PolarHBondContact O-N 3.46Å; V31-A35 WeakPolarHBondContact O-CB 3.39Å; V31-A35 PolarHBondContact O-N 2.92Å
32V94.1Very high94Very high87 Ų8773.7 Ų73.753%0.52739%0.388SS..Hα-helixtrans-64-41.1175.7170.80000111.2M28 I29 E30 A35 Y36M28-V32 VanDerWaalsContact O-CG2 3.3Å; M28-V32 WeakPolarHBondContact O-CG2 3.48Å; M28-V32 PolarHBondContact O-N 2.94Å; I29-V32 PolarHBondContact O-N 3.2Å; E30-V32 PolarHBondContact O-N 3.44Å; V32-A35 PolarHBondContact O-N 3.27Å; V32-Y36 WeakPolarHBondContact O-CB 3.43Å; V32-Y36 PolarHBondContact O-N 3.39Å
33T94.5Very high94.3Very high1 Ų172.2 Ų72.21%0.00639%0.385CS..Hα-helixtrans-62.7-44177.3-60.90000111.4I29 E30 V31 Y36 G37 M239 Y243I29-T33 WeakPolarHBondContact O-CB 3.49Å; I29-T33 PolarHBondContact O-N 2.87Å; I29-T33 PolarHBondContact O-OG1 3.35Å; E30-T33 WeakPolarHBondContact O-CB 3.36Å; E30-T33 PolarHBondContact O-N 3.32Å; V31-T33 VanDerWaalsContact C-N 3.34Å; T33-Y36 PolarHBondContact O-N 3.04Å; T33-G37 PolarHBondContact O-N 2.99Å; T33-M239 HydrophobicContact CG2-CB 3.74Å; T33-M239 HydrophobicContact CG2-CG 3.94Å; T33-Y243 PolarHBondContact OG1-OH 2.88Å
34L95.5Very high94.5Very high79 Ų7971.3 Ų71.341%0.41437%0.372SS..Hα-helixtrans-62.8-45.9175.1-70.8173.6000111.6E30 V31 Y36 G37 V38 I232E30-L34 VanDerWaalsContact O-CG 3.31Å; E30-L34 WeakPolarHBondContact O-CG 3.48Å; E30-L34 PolarHBondContact O-N 2.81Å; V31-L34 PolarHBondContact O-N 3.46Å; L34-Y36 VanDerWaalsContact C-N 3.31Å; L34-Y36 PolarHBondContact O-N 3.18Å; L34-G37 PolarHBondContact O-N 2.76Å; L34-G37 VanDerWaalsContact O-N 3.13Å; L34-V38 WeakPolarHBondContact O-CG2 3.22Å; L34-V38 PolarHBondContact O-N 2.88Å; L34-I232 HydrophobicContact CD2-CG2 3.52Å
35A95.8Very high94.6Very high60 Ų6070.7 Ų70.750%0.49636%0.363SS..Hα-helixtrans-60-41.9177.100000111.8V31 V32 V38 M39V31-A35 WeakPolarHBondContact O-CB 3.39Å; V31-A35 PolarHBondContact O-N 2.92Å; V32-A35 PolarHBondContact O-N 3.27Å; A35-V38 PolarHBondContact O-N 3.29Å; A35-M39 PolarHBondContact O-N 3.47Å
36Y95.9Very high94.6Very high104 Ų10473.8 Ų73.841%0.40838%0.376SS..Hα-helixtrans-63.2-42.4173.5-179.1-102000111.9V32 T33 L34 V38 M39 V40 V235 M239V32-Y36 WeakPolarHBondContact O-CB 3.43Å; V32-Y36 PolarHBondContact O-N 3.39Å; T33-Y36 PolarHBondContact O-N 3.04Å; L34-Y36 VanDerWaalsContact C-N 3.31Å; L34-Y36 PolarHBondContact O-N 3.18Å; Y36-V38 VanDerWaalsContact C-N 3.35Å; Y36-V38 PolarHBondContact O-N 3.3Å; Y36-M39 HydrophobicContact CD2-CE 3.7Å; Y36-M39 HydrophobicContact CE2-CE 3.59Å; Y36-M39 WeakPolarHBondContact O-CB 3.4Å; Y36-M39 PolarHBondContact O-N 2.89Å; Y36-V40 HydrophobicContact CD1-CG2 4.08Å; Y36-V40 HydrophobicContact CE1-CG2 3.62Å; Y36-V40 HydrophobicContact CE2-CG2 4.23Å; Y36-V40 WeakPolarHBondContact O-CG2 3.4Å; Y36-V40 PolarHBondContact O-N 3.43Å; Y36-V235 HydrophobicContact CD1-CG1 3.65Å; Y36-V235 HydrophobicContact CE1-CG1 4.07Å; Y36-M239 HydrophobicContact CD1-CE 3.38Å; Y36-M239 HydrophobicContact CE1-CE 3.37Å; Y36-M239 HydrophobicContact CG-CE 4.06Å
37G96.7Very high94.7Very high0 Ų071.3 Ų71.30%037%0.371CS..Hα-helixtrans-58.9-42.3174.600000113.2T33 L34 V40 F41T33-G37 PolarHBondContact O-N 2.99Å; L34-G37 PolarHBondContact O-N 2.76Å; L34-G37 VanDerWaalsContact O-N 3.13Å; G37-V40 PolarHBondContact O-N 3.39Å; G37-F41 PolarHBondContact O-N 2.9Å
38V96.4Very high94.6Very high61 Ų6171.9 Ų71.937%0.3737%0.367SS..Hα-helixtrans-62-45174175.20000111L34 A35 Y36 V40 F41 V42 F228 I232L34-V38 WeakPolarHBondContact O-CG2 3.22Å; L34-V38 PolarHBondContact O-N 2.88Å; A35-V38 PolarHBondContact O-N 3.29Å; Y36-V38 VanDerWaalsContact C-N 3.35Å; Y36-V38 PolarHBondContact O-N 3.3Å; V38-V40 VanDerWaalsContact C-N 3.35Å; V38-V40 PolarHBondContact O-N 3.02Å; V38-F41 PolarHBondContact O-N 2.86Å; V38-V42 HydrophobicContact CG1-CG2 4.46Å; V38-V42 WeakPolarHBondContact O-CG2 3.28Å; V38-V42 PolarHBondContact O-N 2.82Å; V38-F228 HydrophobicContact CG2-CE2 4.03Å; V38-F228 HydrophobicContact CG2-CZ 3.98Å; V38-I232 HydrophobicContact CG2-CD1 4.31Å
39M96.7Very high94.6Very high115 Ų11567.5 Ų67.557%0.56735%0.346SS*.Hα-helixtrans-60-44.6177.3-172.6-169.57700111.7A35 Y36 V42 F43A35-M39 PolarHBondContact O-N 3.47Å; Y36-M39 HydrophobicContact CD2-CE 3.7Å; Y36-M39 HydrophobicContact CE2-CE 3.59Å; Y36-M39 WeakPolarHBondContact O-CB 3.4Å; Y36-M39 PolarHBondContact O-N 2.89Å; M39-V42 PolarHBondContact O-N 2.78Å; M39-F43 WeakPolarHBondContact O-CB 3.44Å; M39-F43 PolarHBondContact O-N 2.88Å
40V96.1Very high94.5Very high31 Ų3164.6 Ų64.619%0.18833%0.331CS..Hα-helixtrans-61-44.7175.8171.50000110.7Y36 G37 V38 F43 L44 V235Y36-V40 HydrophobicContact CD1-CG2 4.08Å; Y36-V40 HydrophobicContact CE1-CG2 3.62Å; Y36-V40 HydrophobicContact CE2-CG2 4.23Å; Y36-V40 WeakPolarHBondContact O-CG2 3.4Å; Y36-V40 PolarHBondContact O-N 3.43Å; G37-V40 PolarHBondContact O-N 3.39Å; V38-V40 VanDerWaalsContact C-N 3.35Å; V38-V40 PolarHBondContact O-N 3.02Å; V40-F43 PolarHBondContact O-N 2.94Å; V40-L44 HydrophobicContact CG1-CD1 3.98Å; V40-L44 HydrophobicContact CG1-CG 4.24Å; V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 VanDerWaalsContact O-CG 3.27Å; V40-L44 WeakPolarHBondContact O-CG 3.49Å; V40-L44 PolarHBondContact O-N 3.1Å; V40-V235 HydrophobicContact CB-CG2 4.43Å; V40-V235 HydrophobicContact CG1-CG2 4.26Å
41F96.1Very high94.3Very high25 Ų2565 Ų6511%0.1134%0.337CS..Hα-helixtrans-60.7-47.4177.7178.5-95.9000112.1G37 V38 F43 L44 Y45 L220 F228 C231G37-F41 PolarHBondContact O-N 2.9Å; V38-F41 PolarHBondContact O-N 2.86Å; F41-F43 VanDerWaalsContact C-N 3.3Å; F41-F43 PolarHBondContact O-N 2.68Å; F41-L44 PolarHBondContact O-N 3.45Å; F41-Y45 HydrophobicContact CZ-CD2 4.4Å; F41-Y45 WeakPolarHBondContact O-CB 3.3Å; F41-Y45 PolarHBondContact O-N 2.73Å; F41-L220 HydrophobicContact CD2-CD1 4.18Å; F41-L220 HydrophobicContact CE2-CD1 3.44Å; F41-L220 VanDerWaalsContact CE2-CD1 3.44Å; F41-L220 HydrophobicContact CZ-CD1 3.99Å; F41-F228 HydrophobicContact CB-CD2 4.28Å; F41-F228 AromaticContact CD1-CD2 3.7Å; F41-F228 HydrophobicContact CD1-CD2 3.7Å; F41-F228 HydrophobicContact CD1-CE2 4.33Å; F41-F228 HydrophobicContact CD2-CB 4.31Å; F41-F228 HydrophobicContact CD2-CD2 4.15Å; F41-F228 HydrophobicContact CE1-CD2 4.01Å; F41-F228 HydrophobicContact CE2-CB 3.96Å; F41-F228 HydrophobicContact CE2-CD2 4.41Å; F41-F228 AromaticContact CG-CD2 3.77Å; F41-F228 HydrophobicContact CG-CD2 3.77Å; F41-F228 HydrophobicContact CG-CE2 4.5Å; F41-F228 HydrophobicContact CZ-CB 4.07Å; F41-F228 HydrophobicContact CZ-CD2 4.35Å; F41-C231 HydrophobicContact CD2-CB 3.99Å
42V95.8Very high94.1Very high65 Ų6562.4 Ų62.439%0.39432%0.321SS..Hα-helixtrans-60-43.6177.1172.60000110.7V38 M39 Y45 Q46V38-V42 HydrophobicContact CG1-CG2 4.46Å; V38-V42 WeakPolarHBondContact O-CG2 3.28Å; V38-V42 PolarHBondContact O-N 2.82Å; M39-V42 PolarHBondContact O-N 2.78Å; V42-Y45 PolarHBondContact O-N 2.85Å; V42-Q46 HydrophobicContact CG1-CG 4.43Å; V42-Q46 WeakPolarHBondContact O-CB 3.47Å; V42-Q46 WeakPolarHBondContact O-CG 3.45Å; V42-Q46 PolarHBondContact O-N 2.9Å
43F96.3Very high94.1Very high127 Ų12763.2 Ų63.256%0.55732%0.317SS*.Hα-helixtrans-62.5-44.5177-179.9-98.5000112.4M39 V40 F41 Y45 Q46 T47M39-F43 WeakPolarHBondContact O-CB 3.44Å; M39-F43 PolarHBondContact O-N 2.88Å; V40-F43 PolarHBondContact O-N 2.94Å; F41-F43 VanDerWaalsContact C-N 3.3Å; F41-F43 PolarHBondContact O-N 2.68Å; F43-Y45 VanDerWaalsContact C-N 3.35Å; F43-Q46 PolarHBondContact O-N 2.86Å; F43-T47 VanDerWaalsContact O-CB 3.27Å; F43-T47 WeakPolarHBondContact O-CB 3.36Å; F43-T47 PolarHBondContact O-N 2.79Å; F43-T47 PolarHBondContact O-OG1 2.82Å
44L94.5Very high94.1Very high40 Ų4064.2 Ų64.221%0.20932%0.323CS..Hα-helixtrans-61.3-44.6174.9-72.1175.5000111.1V40 F41 T47 Y48V40-L44 HydrophobicContact CG1-CD1 3.98Å; V40-L44 HydrophobicContact CG1-CG 4.24Å; V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 VanDerWaalsContact O-CG 3.27Å; V40-L44 WeakPolarHBondContact O-CG 3.49Å; V40-L44 PolarHBondContact O-N 3.1Å; F41-L44 PolarHBondContact O-N 3.45Å; L44-T47 PolarHBondContact O-N 3.16Å; L44-Y48 HydrophobicContact CB-CD2 4.46Å; L44-Y48 HydrophobicContact CD2-CD2 3.89Å; L44-Y48 HydrophobicContact CD2-CE2 3.58Å; L44-Y48 WeakPolarHBondContact O-CB 3.44Å; L44-Y48 WeakPolarHBondContact O-CD2 3.24Å; L44-Y48 PolarHBondContact O-N 3.09Å
45Y94.4Very high94.1Very high89 Ų8964.1 Ų64.135%0.34932%0.32SS..Hα-helixtrans-59.7-51.3178.3-167.2-79.6000111F41 V42 F43 T47 I49 L220F41-Y45 HydrophobicContact CZ-CD2 4.4Å; F41-Y45 WeakPolarHBondContact O-CB 3.3Å; F41-Y45 PolarHBondContact O-N 2.73Å; V42-Y45 PolarHBondContact O-N 2.85Å; F43-Y45 VanDerWaalsContact C-N 3.35Å; Y45-T47 PolarHBondContact O-N 3.43Å; Y45-I49 HydrophobicContact CD1-CD1 4.2Å; Y45-I49 HydrophobicContact CD2-CD1 3.35Å; Y45-I49 HydrophobicContact CE1-CB 4.49Å; Y45-I49 HydrophobicContact CE1-CD1 4.1Å; Y45-I49 HydrophobicContact CE1-CG2 4.46Å; Y45-I49 HydrophobicContact CE2-CD1 3.21Å; Y45-I49 HydrophobicContact CG-CD1 3.84Å; Y45-I49 WeakPolarHBondContact O-CB 3.24Å; Y45-I49 PolarHBondContact O-N 2.91Å; Y45-L220 HydrophobicContact CD2-CG 4.19Å
46Q92.4Very high94.1Very high145 Ų14564 Ų6468%0.67831%0.307SS*.Hα-helixtrans-66.8-33-178.7-71.2178.4-10.500113.7V42 F43V42-Q46 HydrophobicContact CG1-CG 4.43Å; V42-Q46 WeakPolarHBondContact O-CB 3.47Å; V42-Q46 WeakPolarHBondContact O-CG 3.45Å; V42-Q46 PolarHBondContact O-N 2.9Å; F43-Q46 PolarHBondContact O-N 2.86Å
47T92.1Very high94.1Very high71 Ų7167.4 Ų67.444%0.43633%0.326SS..Hα-helixtrans-82.6-36.2-176.8-54.50000112.3F43 L44 Y45F43-T47 VanDerWaalsContact O-CB 3.27Å; F43-T47 WeakPolarHBondContact O-CB 3.36Å; F43-T47 PolarHBondContact O-N 2.79Å; F43-T47 PolarHBondContact O-OG1 2.82Å; L44-T47 PolarHBondContact O-N 3.16Å; Y45-T47 PolarHBondContact O-N 3.43Å
48Y91.2Very high94.1Very high107 Ų10767.6 Ų67.642%0.4233%0.327SS..Hα-helixtrans-101.3-24.8-171-73.3-81.3000114.7L44 P50 Y97 Q217L44-Y48 HydrophobicContact CB-CD2 4.46Å; L44-Y48 HydrophobicContact CD2-CD2 3.89Å; L44-Y48 HydrophobicContact CD2-CE2 3.58Å; L44-Y48 WeakPolarHBondContact O-CB 3.44Å; L44-Y48 WeakPolarHBondContact O-CD2 3.24Å; L44-Y48 PolarHBondContact O-N 3.09Å; Y48-P50 WeakPolarHBondContact O-CD 3.45Å; Y48-Y97 PolarHBondContact O-OH 2.8Å; Y48-Y97 VanDerWaalsContact O-OH 3.07Å; Y48-Q217 PolarHBondContact O-NE2 3.43Å
49I92.6Very high94Very high23 Ų2371.1 Ų71.112%0.11834%0.344CS..  trans-92.6114-179-68.4169.8000109.6Y45 V52 L220 Y221Y45-I49 HydrophobicContact CD1-CD1 4.2Å; Y45-I49 HydrophobicContact CD2-CD1 3.35Å; Y45-I49 HydrophobicContact CE1-CB 4.49Å; Y45-I49 HydrophobicContact CE1-CD1 4.1Å; Y45-I49 HydrophobicContact CE1-CG2 4.46Å; Y45-I49 HydrophobicContact CE2-CD1 3.21Å; Y45-I49 HydrophobicContact CG-CD1 3.84Å; Y45-I49 WeakPolarHBondContact O-CB 3.24Å; Y45-I49 PolarHBondContact O-N 2.91Å; I49-V52 HydrophobicContact CG2-CG2 3.88Å; I49-L220 HydrophobicContact CD1-CB 4.06Å; I49-L220 HydrophobicContact CD1-CD2 3.68Å; I49-L220 HydrophobicContact CD1-CG 3.59Å; I49-L220 HydrophobicContact CG1-CD2 4.03Å; I49-L220 HydrophobicContact CG1-CG 4.39Å; I49-Y221 HydrophobicContact CG2-CD2 4.24Å
50P90.8Very high93.9Very high9 Ų966.3 Ų66.36%0.05832%0.321CS..  trans-76.7180173.637.7-40000110.4Y48 V52 T94 Y97 T211 L213Y48-P50 WeakPolarHBondContact O-CD 3.45Å; P50-V52 WeakPolarHBondContact O-CG2 3.18Å; P50-V52 PolarHBondContact O-N 3.35Å; P50-T94 WeakPolarHBondContact CA-OG1 3.38Å; P50-T94 HydrophobicContact CB-CG2 4.05Å; P50-T94 WeakPolarHBondContact CB-OG1 3.31Å; P50-Y97 HydrophobicContact CB-CD1 3.86Å; P50-Y97 HydrophobicContact CB-CD2 3.78Å; P50-Y97 HydrophobicContact CB-CE1 3.92Å; P50-Y97 HydrophobicContact CB-CE2 3.92Å; P50-Y97 HydrophobicContact CB-CG 3.76Å; P50-Y97 HydrophobicContact CG-CD1 3.49Å; P50-Y97 VanDerWaalsContact CG-CD1 3.49Å; P50-Y97 HydrophobicContact CG-CD2 4.35Å; P50-Y97 HydrophobicContact CG-CE1 3.6Å; P50-Y97 HydrophobicContact CG-CG 3.86Å; P50-T211 HydrophobicContact CG-CG2 4.09Å; P50-L213 HydrophobicContact CG-CD2 4.15Å
51T88.1Confident93.8Very high52 Ų5269.3 Ų69.332%0.31934%0.339SS..  trans-61110.5164.355.40000110.2L92 T94 Y99T51-L92 WeakPolarHBondContact CB-O 3.48Å; T51-L92 WeakPolarHBondContact CG2-O 3.31Å; T51-L92 PolarHBondContact OG1-O 3.38Å; T51-T94 PolarHBondContact N-OG1 2.92Å; T51-Y99 VanDerWaalsContact O-CE1 3.27Å; T51-Y99 WeakPolarHBondContact O-CE1 3.48Å; T51-Y99 PolarHBondContact O-OH 3.44Å; T51-Y99 PolarHBondContact OG1-OH 3.29Å
52V91.1Very high93.6Very high19 Ų1971.7 Ų71.712%0.11535%0.349CS..  trans-76.9-34.8-170.4179.50000112.6I49 P50 Q210 T211 L213 Y221I49-V52 HydrophobicContact CG2-CG2 3.88Å; P50-V52 WeakPolarHBondContact O-CG2 3.18Å; P50-V52 PolarHBondContact O-N 3.35Å; V52-Q210 CarbonylContact O-C 3.58Å; V52-Q210 WeakPolarHBondContact O-CA 3.28Å; V52-T211 HydrophobicContact CB-CG2 4.19Å; V52-T211 HydrophobicContact CG1-CG2 3.98Å; V52-T211 HydrophobicContact CG2-CG2 4.31Å; V52-T211 PolarHBondContact O-N 2.86Å; V52-L213 HydrophobicContact CG1-CD1 4.25Å; V52-L213 HydrophobicContact CG2-CD1 4.13Å; V52-Y221 HydrophobicContact CB-CE1 4.43Å; V52-Y221 HydrophobicContact CB-CE2 3.96Å; V52-Y221 HydrophobicContact CG1-CD1 4.31Å; V52-Y221 HydrophobicContact CG1-CE1 3.72Å; V52-Y221 HydrophobicContact CG1-CE2 4.15Å; V52-Y221 HydrophobicContact CG2-CD2 3.69Å; V52-Y221 HydrophobicContact CG2-CE1 4.42Å; V52-Y221 HydrophobicContact CG2-CE2 3.51Å; V52-Y221 HydrophobicContact CG2-CG 4.23Å
53K93.2Very high93.3Very high105 Ų10572.4 Ų72.446%0.45735%0.351SS..EExtended strand (participates in β ladder)trans-147.2132.3-171.7-168.4-171.9-169.7-143.40110.1E55 I209K53-E55 WeakPolarHBondContact CE-OE1 3.45Å; K53-E55 WeakPolarHBondContact CE-OE2 3.31Å; K53-E55 HydrophobicContact CG-CG 4.43Å; K53-E55 IonicContact NZ-OE1 2.61Å; K53-E55 PolarHBondContact NZ-OE1 2.6Å; K53-E55 IonicContact NZ-OE2 2.66Å; K53-E55 PolarHBondContact NZ-OE2 2.93Å; K53-I209 CarbonylContact C-O 3.54Å; K53-I209 WeakPolarHBondContact CA-O 3.37Å
54L94.2Very high92.8Very high22 Ų2270.8 Ų70.812%0.11535%0.352CS..EExtended strand (participates in β ladder)trans-131.5122.3169.9176.465.7000107.9R56 V85 L92 L93 I209L54-R56 HydrophobicContact CG-CG 4.43Å; L54-V85 HydrophobicContact CD2-CG1 3.93Å; L54-L92 HydrophobicContact CD1-CD1 3.87Å; L54-L93 HydrophobicContact CB-CD2 4.23Å; L54-L93 HydrophobicContact CD2-CD2 4.02Å; L54-L93 HydrophobicContact CD2-CG 4.27Å; L54-I209 HydrophobicContact CB-CB 4.28Å; L54-I209 HydrophobicContact CD2-CD1 4.37Å; L54-I209 PolarHBondContact N-O 3.39Å; L54-I209 PolarHBondContact O-N 3.45Å
55E95.5Very high92.3Very high77 Ų7776.9 Ų76.936%0.3638%0.376SS..EExtended strand (participates in β ladder)trans-115.4132.8176.8-76.2176.3163.200108.8K53 E206 L207 K208K53-E55 WeakPolarHBondContact CE-OE1 3.45Å; K53-E55 WeakPolarHBondContact CE-OE2 3.31Å; K53-E55 HydrophobicContact CG-CG 4.43Å; K53-E55 IonicContact NZ-OE1 2.61Å; K53-E55 PolarHBondContact NZ-OE1 2.6Å; K53-E55 IonicContact NZ-OE2 2.66Å; K53-E55 PolarHBondContact NZ-OE2 2.93Å; E55-E206 WeakPolarHBondContact CB-OE1 3.34Å; E55-E206 WeakPolarHBondContact CG-OE1 3.31Å; E55-L207 WeakPolarHBondContact CA-O 3.31Å; E55-K208 HydrophobicContact CG-CB 4.22Å; E55-K208 HydrophobicContact CG-CG 4.03Å; E55-K208 WeakPolarHBondContact OE1-CD 3.3Å; E55-K208 IonicContact OE1-NZ 3.95Å
56R95.7Very high91.6Very high56 Ų5674.9 Ų74.921%0.21138%0.375CS..EExtended strand (participates in β ladder)trans-132.1119.8177.1-65.8-63.9-173165.10.3108.7L54 F83 S84 E87 L92 E206 L207L54-R56 HydrophobicContact CG-CG 4.43Å; R56-F83 HydrophobicContact CB-CB 4.42Å; R56-S84 PolarHBondContact NE-O 2.81Å; R56-S84 PolarHBondContact NH2-O 2.81Å; R56-E87 IonicContact NH2-OE2 3.98Å; R56-L92 VanDerWaalsContact NH2-CD1 3.3Å; R56-E206 CarbonylContact O-C 3.58Å; R56-E206 WeakPolarHBondContact O-CA 3.3Å; R56-L207 PolarHBondContact N-O 3.42Å; R56-L207 PolarHBondContact O-N 3.27Å
57E96.1Very high90.9Very high176 Ų17675.9 Ų75.982%0.82239%0.385SS*.EExtended strand (participates in β ladder)trans-66141167.5-64.4-179.5175.700109.2
58L96.5Very high89.9Confident4 Ų476.6 Ų76.62%0.02139%0.389CS..  trans-121.2115.6-173-58.6167.3000109.3L60 A81 F83 L103 I193 S205 L207L58-L60 PolarHBondContact O-N 2.92Å; L58-A81 HydrophobicContact CB-CB 3.95Å; L58-A81 HydrophobicContact CD2-CB 4.37Å; L58-F83 HydrophobicContact CD2-CB 3.88Å; L58-F83 HydrophobicContact CD2-CD1 3.54Å; L58-F83 HydrophobicContact CD2-CE1 4.38Å; L58-F83 HydrophobicContact CD2-CG 3.9Å; L58-L103 HydrophobicContact CD1-CD1 3.37Å; L58-I193 HydrophobicContact CD1-CD1 3.17Å; L58-I193 HydrophobicContact CD1-CG1 4.44Å; L58-I193 HydrophobicContact CD2-CD1 3.81Å; L58-I193 HydrophobicContact CG-CD1 4.1Å; L58-S205 WeakPolarHBondContact CB-OG 3.49Å; L58-S205 PolarHBondContact N-O 2.93Å; L58-S205 PolarHBondContact O-OG 2.92Å; L58-L207 HydrophobicContact CD1-CB 4.03Å; L58-L207 HydrophobicContact CD2-CB 4.28Å; L58-L207 HydrophobicContact CG-CB 4.35Å
59D94.6Very high88.6Confident136 Ų13681 Ų8173%0.72741%0.413SS*.  trans-91.895.5173.1-65.5-37000109.5V61 A81D59-V61 PolarHBondContact O-N 3.05Å; D59-A81 WeakPolarHBondContact O-CB 3.09Å
60L95.2Very high87Confident14 Ų1484.9 Ų84.97%0.07344%0.438CS..  trans-71.6120.3175.4-68.7167.1000109.8L58 P79 A81 L105 I193 W202L58-L60 PolarHBondContact O-N 2.92Å; L60-P79 HydrophobicContact CB-CB 4.12Å; L60-P79 HydrophobicContact CD2-CB 4.48Å; L60-A81 HydrophobicContact CD2-CB 3.79Å; L60-A81 HydrophobicContact CG-CB 4.24Å; L60-L105 HydrophobicContact CD1-CD1 4.32Å; L60-I193 HydrophobicContact CD2-CG2 4.33Å; L60-W202 HydrophobicContact CB-CD2 4.45Å; L60-W202 HydrophobicContact CB-CZ2 3.63Å; L60-W202 HydrophobicContact CD1-CD2 3.96Å; L60-W202 HydrophobicContact CD1-CG 4.01Å; L60-W202 WeakPolarHBondContact O-CZ2 3.43Å
61V93.6Very high85.5Confident93 Ų9388.7 Ų88.756%0.56446%0.455SS*.BIsolated β-bridgetrans-120.5146.2178-177.90000109.6D59 P79 T80D59-V61 PolarHBondContact O-N 3.05Å; V61-P79 CarbonylContact O-C 3.53Å; V61-P79 WeakPolarHBondContact O-CA 3.07Å; V61-T80 PolarHBondContact N-O 2.79Å; V61-T80 PolarHBondContact O-N 3.48Å
62F91.2Very high84Confident76 Ų7697.9 Ų97.933%0.33349%0.486SS..  trans-129.1155.3176.155.2-90.5000110.4T64 V75 S77 P79 W202F62-T64 HydrophobicContact CD2-CG2 4.25Å; F62-T64 HydrophobicContact CE2-CG2 3.93Å; F62-V75 HydrophobicContact CB-CG1 4.02Å; F62-V75 HydrophobicContact CD2-CB 4.15Å; F62-V75 HydrophobicContact CD2-CG1 3.8Å; F62-V75 HydrophobicContact CD2-CG2 3.9Å; F62-V75 HydrophobicContact CE2-CB 4.44Å; F62-V75 HydrophobicContact CE2-CG1 4.46Å; F62-V75 HydrophobicContact CE2-CG2 3.72Å; F62-V75 HydrophobicContact CG-CG1 3.9Å; F62-V75 HydrophobicContact CZ-CG2 4.2Å; F62-S77 WeakPolarHBondContact CA-OG 3.5Å; F62-P79 HydrophobicContact CB-CG 4.4Å; F62-W202 AromaticContact CD1-CH2 3.79Å; F62-W202 HydrophobicContact CD1-CH2 3.79Å; F62-W202 HydrophobicContact CD1-CZ2 4.23Å; F62-W202 AromaticContact CE1-CH2 4Å; F62-W202 HydrophobicContact CE1-CH2 4Å; F62-W202 HydrophobicContact CE1-CZ2 4.35Å
63D89.6Confident82.7Confident80 Ų8099.2 Ų99.243%0.42850%0.496SS..  trans-79.6139.5174.5-161.7-6000110.9K65 C76 S77D63-K65 PolarHBondContact OD1-N 2.64Å; D63-C76 WeakPolarHBondContact O-CB 3.07Å; D63-C76 PolarHBondContact O-N 2.61Å; D63-S77 PolarHBondContact N-OG 2.88Å
64T86.1Confident81.8Confident93 Ų93101 Ų10157%0.57151%0.51SS*.  trans-105.1-13.117754.40000112.3F62 C66 C76F62-T64 HydrophobicContact CD2-CG2 4.25Å; F62-T64 HydrophobicContact CE2-CG2 3.93Å; T64-C66 PolarHBondContact O-N 2.99Å; T64-C76 VanDerWaalsContact C-SG 3.52Å; T64-C76 PolarHBondContact O-SG 3.45Å
65K84.3Confident81.1Confident168 Ų168101.2 Ų101.273%0.7351%0.513SS*.  trans-88.390.2178.5-66.2-178.1-178.9177.60110.2D63D63-K65 PolarHBondContact OD1-N 2.64Å
66C80.7Confident80.5Confident47 Ų4798.8 Ų98.832%0.31850%0.504SS..  trans-79.3122.5176.3-72.30000109.7T64 V68 C76T64-C66 PolarHBondContact O-N 2.99Å; C66-V68 PolarHBondContact O-N 3.23Å; C66-C76 WeakPolarHBondContact CA-SG 3.44Å; C66-C76 HydrophobicContact CB-CB 4.02Å; C66-C76 WeakPolarHBondContact CB-SG 3.3Å; C66-C76 PolarHBondContact N-SG 3.27Å; C66-C76 WeakPolarHBondContact SG-CB 3.44Å; C66-C76 CovalentContact SG-SG 2.01Å; C66-C76 PolarHBondContact SG-SG 2.91Å
67N76.1Confident80.3Confident166 Ų16698 Ų9889%0.88851%0.507SS*.SBendtrans-68-20.1170-79.8-7.1000112.6
68V71.5Confident80.2Confident86 Ų8694.4 Ų94.452%0.52149%0.489SS..SBendtrans-110.3120.6-174-165.20000109.1C66 T70C66-V68 PolarHBondContact O-N 3.23Å; V68-T70 HydrophobicContact CG1-CG2 4.28Å; V68-T70 WeakPolarHBondContact CG1-OG1 3.48Å; V68-T70 PolarHBondContact O-N 2.96Å
69Q64.4Low80.1Confident198 Ų19894.3 Ų94.393%0.92549%0.488SS*.THydrogen-bonded Turntrans-61.2-5.8176.6-9610027.500114.6
70T59.1Low80.2Confident106 Ų10690 Ų9065%0.6547%0.467SS*.THydrogen-bonded Turntrans-96.3-2.6-169.662.20000115.1V68 Y72V68-T70 HydrophobicContact CG1-CG2 4.28Å; V68-T70 WeakPolarHBondContact CG1-OG1 3.48Å; V68-T70 PolarHBondContact O-N 2.96Å; T70-Y72 PolarHBondContact O-N 2.73Å
71E59.1Low80.2Confident88 Ų8889.4 Ų89.441%0.41147%0.465SS..  trans-87.8107173.7-94.2-177.4158.400110.8S73 K198E71-S73 PolarHBondContact O-N 2.7Å; E71-K198 IonicContact OE1-NZ 2.65Å; E71-K198 PolarHBondContact OE1-NZ 3.21Å; E71-K198 IonicContact OE2-NZ 2.86Å; E71-K198 PolarHBondContact OE2-NZ 2.88Å
72Y56.1Low80.3Confident246 Ų24690.5 Ų90.597%0.96547%0.467SS*.SBendtrans-61.92.2172.7-76.6-86.3000114.3T70T70-Y72 PolarHBondContact O-N 2.73Å
73S64Low80.5Confident46 Ų4687.6 Ų87.632%0.32245%0.454SS..SBendtrans-114.3132.8177.957.20000110.2E71 V75E71-S73 PolarHBondContact O-N 2.7Å; S73-V75 PolarHBondContact O-N 3.17Å; S73-V75 PolarHBondContact OG-O 3.13Å
74N73.6Confident80.7Confident142 Ų14286.1 Ų86.176%0.75945%0.451SS*.SBendtrans-61.89.8170.5-63.2-25.6000114.1
75V79.9Confident80.9Confident28 Ų2881.7 Ų81.717%0.1742%0.423CS..  trans-119.5105.3-175.9-176.60000108F62 S73 S77 K198F62-V75 HydrophobicContact CB-CG1 4.02Å; F62-V75 HydrophobicContact CD2-CB 4.15Å; F62-V75 HydrophobicContact CD2-CG1 3.8Å; F62-V75 HydrophobicContact CD2-CG2 3.9Å; F62-V75 HydrophobicContact CE2-CB 4.44Å; F62-V75 HydrophobicContact CE2-CG1 4.46Å; F62-V75 HydrophobicContact CE2-CG2 3.72Å; F62-V75 HydrophobicContact CG-CG1 3.9Å; F62-V75 HydrophobicContact CZ-CG2 4.2Å; S73-V75 PolarHBondContact O-N 3.17Å; S73-V75 PolarHBondContact OG-O 3.13Å; V75-S77 WeakPolarHBondContact CG1-O 3.48Å; V75-K198 HydrophobicContact CG1-CB 4.2Å; V75-K198 HydrophobicContact CG1-CD 4.48Å; V75-K198 HydrophobicContact CG1-CG 4.1Å; V75-K198 WeakPolarHBondContact O-CD 3.46Å; V75-K198 PolarHBondContact O-NZ 3.44Å
76C84.4Confident81.2Confident26 Ų2674.8 Ų74.818%0.17640%0.396CS..  trans-97.8-32.8-170.3-45.80000112D63 T64 C66 K198D63-C76 WeakPolarHBondContact O-CB 3.07Å; D63-C76 PolarHBondContact O-N 2.61Å; T64-C76 VanDerWaalsContact C-SG 3.52Å; T64-C76 PolarHBondContact O-SG 3.45Å; C66-C76 WeakPolarHBondContact CA-SG 3.44Å; C66-C76 HydrophobicContact CB-CB 4.02Å; C66-C76 WeakPolarHBondContact CB-SG 3.3Å; C66-C76 PolarHBondContact N-SG 3.27Å; C66-C76 WeakPolarHBondContact SG-CB 3.44Å; C66-C76 CovalentContact SG-SG 2.01Å; C66-C76 PolarHBondContact SG-SG 2.91Å; C76-K198 VanDerWaalsContact C-NZ 3.29Å; C76-K198 VanDerWaalsContact O-CE 3.31Å; C76-K198 WeakPolarHBondContact O-CE 3.44Å; C76-K198 PolarHBondContact O-NZ 3.36Å
77S89.7Confident81.5Confident40 Ų4077.7 Ų77.728%0.2841%0.405SS..SBendtrans-106.5164.117675.50000111.4F62 D63 V75F62-S77 WeakPolarHBondContact CA-OG 3.5Å; D63-S77 PolarHBondContact N-OG 2.88Å; V75-S77 WeakPolarHBondContact CG1-O 3.48Å
78F93.7Very high81.9Confident99 Ų9974.9 Ų74.943%0.43440%0.398SS..  trans-66.3140.6163-66.3-49.3000109.8T80 I194 L195 K198F78-T80 WeakPolarHBondContact O-CG2 3.47Å; F78-T80 PolarHBondContact O-N 2.83Å; F78-I194 HydrophobicContact CB-CG2 3.96Å; F78-L195 WeakPolarHBondContact CB-O 3Å; F78-K198 HydrophobicContact CD1-CG 4.07Å; F78-K198 HydrophobicContact CE1-CG 4.19Å
79P95.4Very high82.4Confident2 Ų273 Ų731%0.01340%0.397CS..  trans-61.4130.2174.6-22.933.2000111.2L60 V61 F62 L195 S197 W202L60-P79 HydrophobicContact CB-CB 4.12Å; L60-P79 HydrophobicContact CD2-CB 4.48Å; V61-P79 CarbonylContact O-C 3.53Å; V61-P79 WeakPolarHBondContact O-CA 3.07Å; F62-P79 HydrophobicContact CB-CG 4.4Å; P79-L195 HydrophobicContact CB-CB 4.24Å; P79-L195 WeakPolarHBondContact CD-O 3.43Å; P79-L195 HydrophobicContact CG-CB 4.48Å; P79-L195 HydrophobicContact CG-CD2 4.29Å; P79-L195 PolarHBondContact O-N 2.79Å; P79-S197 WeakPolarHBondContact CD-O 3.35Å; P79-W202 HydrophobicContact CB-CH2 3.49Å; P79-W202 VanDerWaalsContact CB-CH2 3.49Å; P79-W202 HydrophobicContact CB-CZ2 4.01Å; P79-W202 HydrophobicContact CB-CZ3 3.96Å; P79-W202 HydrophobicContact CG-CH2 3.37Å; P79-W202 HydrophobicContact CG-CZ2 4.36Å; P79-W202 HydrophobicContact CG-CZ3 3.54Å
80T96.1Very high83.5Confident46 Ų4669.3 Ų69.328%0.28238%0.382SS..EExtended strand (participates in β ladder)trans-131.9141.3-177.558.10000111.7V61 F78 I193 I194V61-T80 PolarHBondContact N-O 2.79Å; V61-T80 PolarHBondContact O-N 3.48Å; F78-T80 WeakPolarHBondContact O-CG2 3.47Å; F78-T80 PolarHBondContact O-N 2.83Å; T80-I193 CarbonylContact C-O 3.43Å; T80-I193 WeakPolarHBondContact CA-O 3.21Å; T80-I194 HydrophobicContact CG2-CB 4.24Å; T80-I194 HydrophobicContact CG2-CG1 3.86Å; T80-I194 HydrophobicContact CG2-CG2 4.02Å
81A96.9Very high84.8Confident2 Ų265.4 Ų65.42%0.01736%0.359CS..EExtended strand (participates in β ladder)trans-126.3132.817300000109L58 D59 L60 R192 I193L58-A81 HydrophobicContact CB-CB 3.95Å; L58-A81 HydrophobicContact CD2-CB 4.37Å; D59-A81 WeakPolarHBondContact O-CB 3.09Å; L60-A81 HydrophobicContact CD2-CB 3.79Å; L60-A81 HydrophobicContact CG-CB 4.24Å; A81-R192 CarbonylContact O-C 3.57Å; A81-R192 VanDerWaalsContact O-CA 3.3Å; A81-R192 WeakPolarHBondContact O-CA 3.13Å; A81-I193 PolarHBondContact N-O 2.98Å; A81-I193 PolarHBondContact O-N 3.13Å
82N95.7Very high86.3Confident115 Ų11564.1 Ų64.162%0.61536%0.355SS*.EExtended strand (participates in β ladder)trans-101.8141.1170-61.2-41.2000108.6G191 R192N82-G191 WeakPolarHBondContact CA-O 2.98Å; N82-R192 WeakPolarHBondContact OD1-CG 3.3Å; N82-R192 PolarHBondContact OD1-NE 2.89Å; N82-R192 VanDerWaalsContact OD1-NE 3.1Å
83F94.8Very high88Confident15 Ų1552.9 Ų52.97%0.06631%0.311CS..EExtended strand (participates in β ladder)trans-139.2148.1178.162.5-87.3000110.7R56 L58 V85 L123 L125 E190 G191 I193 L207R56-F83 HydrophobicContact CB-CB 4.42Å; L58-F83 HydrophobicContact CD2-CB 3.88Å; L58-F83 HydrophobicContact CD2-CD1 3.54Å; L58-F83 HydrophobicContact CD2-CE1 4.38Å; L58-F83 HydrophobicContact CD2-CG 3.9Å; F83-V85 HydrophobicContact CD2-CG2 3.85Å; F83-V85 HydrophobicContact CE2-CG2 3.51Å; F83-L123 HydrophobicContact CE1-CD1 3.89Å; F83-L123 HydrophobicContact CZ-CD1 3.73Å; F83-L125 HydrophobicContact CZ-CD2 4.19Å; F83-E190 CarbonylContact O-C 3.55Å; F83-E190 WeakPolarHBondContact O-CA 3.43Å; F83-G191 VanDerWaalsContact CD1-O 3.31Å; F83-G191 WeakPolarHBondContact CD1-O 3.37Å; F83-G191 WeakPolarHBondContact CE1-O 3.38Å; F83-G191 PolarHBondContact N-O 3.32Å; F83-G191 PolarHBondContact O-N 3.46Å; F83-I193 HydrophobicContact CD1-CD1 4.26Å; F83-I193 HydrophobicContact CE1-CD1 3.83Å; F83-I193 HydrophobicContact CE1-CG1 3.95Å; F83-L207 HydrophobicContact CD1-CD2 4.45Å; F83-L207 HydrophobicContact CD2-CD2 4.02Å; F83-L207 HydrophobicContact CE1-CD2 3.83Å; F83-L207 HydrophobicContact CE2-CD2 3.31Å; F83-L207 HydrophobicContact CZ-CD2 3.21Å
84S92.9Very high89.2Confident50 Ų5052.9 Ų52.935%0.3531%0.309SS..EExtended strand (participates in β ladder)trans-93.413517464.20000110.7R56R56-S84 PolarHBondContact NE-O 2.81Å; R56-S84 PolarHBondContact NH2-O 2.81Å
85V91Very high90Very high0 Ų048.6 Ų48.60%029%0.289CS..  trans-99.9-19.21711800000110.6L54 F83 L92 L93 V188 F189L54-V85 HydrophobicContact CD2-CG1 3.93Å; F83-V85 HydrophobicContact CD2-CG2 3.85Å; F83-V85 HydrophobicContact CE2-CG2 3.51Å; V85-L92 VanDerWaalsContact O-CB 3.27Å; V85-L92 WeakPolarHBondContact O-CB 3.31Å; V85-L92 WeakPolarHBondContact O-CD1 3.24Å; V85-L92 WeakPolarHBondContact O-CG 3.27Å; V85-L92 PolarHBondContact O-N 3.07Å; V85-L92 VanDerWaalsContact O-N 3.17Å; V85-L93 HydrophobicContact CG1-CD1 3.34Å; V85-L93 HydrophobicContact CG1-CG 3.62Å; V85-V188 HydrophobicContact CB-CG1 4.17Å; V85-V188 HydrophobicContact CG1-CG1 4.34Å; V85-V188 HydrophobicContact CG2-CG1 4.02Å; V85-F189 PolarHBondContact N-O 2.89Å
86S89.6Confident90.5Very high22 Ų2254.6 Ų54.615%0.15431%0.313CS..EExtended strand (participates in β ladder)trans-93.5150.4173.860.50000113.3I90 F189S86-I90 CarbonylContact C-O 3.43Å; S86-I90 WeakPolarHBondContact CA-O 3.47Å; S86-I90 WeakPolarHBondContact CB-O 3.44Å; S86-F189 VanDerWaalsContact CB-CD1 3.48Å; S86-F189 PolarHBondContact N-O 3.46Å; S86-F189 VanDerWaalsContact N-O 3.07Å; S86-F189 PolarHBondContact OG-O 2.89Å
87E87.4Confident90.8Very high108 Ų10855.3 Ų55.351%0.50531%0.313SS..EExtended strand (participates in β ladder)trans-122.8134.2168.5-166.760.4-119.700108.1R56 G89 I90 L92R56-E87 IonicContact NH2-OE2 3.98Å; E87-G89 PolarHBondContact O-N 2.94Å; E87-I90 PolarHBondContact N-O 3.06Å; E87-I90 PolarHBondContact O-N 2.79Å; E87-L92 HydrophobicContact CB-CD1 4.19Å; E87-L92 HydrophobicContact CB-CD2 3.84Å; E87-L92 HydrophobicContact CB-CG 4.08Å
88S85.1Confident91Very high107 Ų10754.9 Ų54.975%0.74831%0.309SS*.THydrogen-bonded Turntrans52.329.3-179.665.80000115.7I90S88-I90 VanDerWaalsContact C-N 3.33Å
89G82.2Confident91Very high48 Ų4850.2 Ų50.250%0.49529%0.288SS..THydrogen-bonded Turntrans79.510.1-179.300000115.2E87 F189E87-G89 PolarHBondContact O-N 2.94Å; G89-F189 WeakPolarHBondContact O-CE1 3.39Å
90I86.4Confident91Very high119 Ų11952 Ų5261%0.6130%0.297SS*.EExtended strand (participates in β ladder)trans-113.8131.1174.3-55.5170.3000108S86 E87 S88 L92S86-I90 CarbonylContact C-O 3.43Å; S86-I90 WeakPolarHBondContact CA-O 3.47Å; S86-I90 WeakPolarHBondContact CB-O 3.44Å; E87-I90 PolarHBondContact N-O 3.06Å; E87-I90 PolarHBondContact O-N 2.79Å; S88-I90 VanDerWaalsContact C-N 3.33Å; I90-L92 PolarHBondContact O-N 3.38Å
91S87.6Confident91.1Very high24 Ų2449.9 Ų49.917%0.16828%0.284CS..EExtended strand (participates in β ladder)trans-64.6128.5173.6-171.30000109.2L93 V188S91-L93 PolarHBondContact O-N 2.75Å; S91-V188 WeakPolarHBondContact CB-O 3.35Å; S91-V188 PolarHBondContact OG-O 3.42Å
92L90.7Very high91.1Very high62 Ų6251 Ų5133%0.32529%0.289SS..SBendtrans-71.6-18.1177.4-67.7170.8000111.9T51 L54 R56 V85 E87 I90T51-L92 WeakPolarHBondContact CB-O 3.48Å; T51-L92 WeakPolarHBondContact CG2-O 3.31Å; T51-L92 PolarHBondContact OG1-O 3.38Å; L54-L92 HydrophobicContact CD1-CD1 3.87Å; R56-L92 VanDerWaalsContact NH2-CD1 3.3Å; V85-L92 VanDerWaalsContact O-CB 3.27Å; V85-L92 WeakPolarHBondContact O-CB 3.31Å; V85-L92 WeakPolarHBondContact O-CD1 3.24Å; V85-L92 WeakPolarHBondContact O-CG 3.27Å; V85-L92 PolarHBondContact O-N 3.07Å; V85-L92 VanDerWaalsContact O-N 3.17Å; E87-L92 HydrophobicContact CB-CD1 4.19Å; E87-L92 HydrophobicContact CB-CD2 3.84Å; E87-L92 HydrophobicContact CB-CG 4.08Å; I90-L92 PolarHBondContact O-N 3.38Å
93L90.4Very high91.2Very high10 Ų1045.5 Ų45.55%0.05226%0.26CS..SBendtrans-89.3135.4-176.1-61174.7000110.9L54 V85 S91 Y99 F182 I209L54-L93 HydrophobicContact CB-CD2 4.23Å; L54-L93 HydrophobicContact CD2-CD2 4.02Å; L54-L93 HydrophobicContact CD2-CG 4.27Å; V85-L93 HydrophobicContact CG1-CD1 3.34Å; V85-L93 HydrophobicContact CG1-CG 3.62Å; S91-L93 PolarHBondContact O-N 2.75Å; L93-Y99 HydrophobicContact CD2-CD1 4.47Å; L93-Y99 HydrophobicContact CD2-CE1 4.01Å; L93-F182 HydrophobicContact CB-CD2 4.17Å; L93-F182 HydrophobicContact CB-CE2 4.2Å; L93-F182 HydrophobicContact CD1-CD2 4.15Å; L93-F182 HydrophobicContact CD1-CE1 4.01Å; L93-F182 HydrophobicContact CD1-CE2 3.44Å; L93-F182 VanDerWaalsContact CD1-CE2 3.44Å; L93-F182 HydrophobicContact CD1-CZ 3.35Å; L93-F182 HydrophobicContact CG-CE2 4.32Å; L93-I209 HydrophobicContact CD1-CD1 3.97Å; L93-I209 HydrophobicContact CD1-CG2 4.14Å; L93-I209 HydrophobicContact CD2-CG2 3.85Å
94T90.3Very high91.3Very high45 Ų4545.5 Ų45.528%0.27626%0.261SS..PPolyproline II helixtrans-79.2127.6178.3-46.70000110.1P50 T51 Y97 Y99P50-T94 WeakPolarHBondContact CA-OG1 3.38Å; P50-T94 HydrophobicContact CB-CG2 4.05Å; P50-T94 WeakPolarHBondContact CB-OG1 3.31Å; T51-T94 PolarHBondContact N-OG1 2.92Å; T94-Y97 HydrophobicContact CG2-CD2 3.58Å; T94-Y97 HydrophobicContact CG2-CE2 3.53Å; T94-Y99 PolarHBondContact N-OH 2.95Å; T94-Y99 WeakPolarHBondContact O-CE2 3.05Å
95P90.2Very high91.5Very high53 Ų5343.2 Ų43.234%0.34424%0.244SC..THydrogen-bonded Turntrans-69.6158.3-177.729.6-36000112.3Y97 V184P95-Y97 VanDerWaalsContact O-CD2 3.31Å; P95-Y97 WeakPolarHBondContact O-CD2 3.3Å; P95-Y97 PolarHBondContact O-N 2.84Å; P95-V184 HydrophobicContact CB-CB 4.46Å; P95-V184 HydrophobicContact CB-CG2 3.7Å; P95-V184 HydrophobicContact CG-CG2 3.97Å
96K89.8Confident91.8Very high153 Ų15346 Ų4667%0.66526%0.255SS*.THydrogen-bonded Turntrans66.30.6-179-55.8-179.9175.1177.40116.7F182 V184K96-F182 PolarHBondContact N-O 3.44Å; K96-V184 HydrophobicContact CD-CG2 4.3Å; K96-V184 HydrophobicContact CG-CG2 4.09Å
97Y90.7Very high92.1Very high42 Ų4245 Ų4517%0.16525%0.248CC..SBendtrans-89.6142.9172.5-74.6-94.5000111Y48 P50 T94 P95 Y99Y48-Y97 PolarHBondContact O-OH 2.8Å; Y48-Y97 VanDerWaalsContact O-OH 3.07Å; P50-Y97 HydrophobicContact CB-CD1 3.86Å; P50-Y97 HydrophobicContact CB-CD2 3.78Å; P50-Y97 HydrophobicContact CB-CE1 3.92Å; P50-Y97 HydrophobicContact CB-CE2 3.92Å; P50-Y97 HydrophobicContact CB-CG 3.76Å; P50-Y97 HydrophobicContact CG-CD1 3.49Å; P50-Y97 VanDerWaalsContact CG-CD1 3.49Å; P50-Y97 HydrophobicContact CG-CD2 4.35Å; P50-Y97 HydrophobicContact CG-CE1 3.6Å; P50-Y97 HydrophobicContact CG-CG 3.86Å; T94-Y97 HydrophobicContact CG2-CD2 3.58Å; T94-Y97 HydrophobicContact CG2-CE2 3.53Å; P95-Y97 VanDerWaalsContact O-CD2 3.31Å; P95-Y97 WeakPolarHBondContact O-CD2 3.3Å; P95-Y97 PolarHBondContact O-N 2.84Å; Y97-Y99 WeakPolarHBondContact O-CD2 3.47Å
98P93.2Very high92.4Very high31 Ų3141.6 Ų41.620%0.20124%0.235CC..EExtended strand (participates in β ladder)trans-74.8128.4173.630-33.5000110.9Q181 T211 T212P98-Q181 HydrophobicContact CB-CG 4.27Å; P98-T211 VanDerWaalsContact O-CA 3.27Å; P98-T211 WeakPolarHBondContact O-CA 3.43Å; P98-T211 PolarHBondContact O-OG1 2.96Å; P98-T212 WeakPolarHBondContact CB-OG1 3.29Å; P98-T212 VanDerWaalsContact CG-OG1 3.27Å; P98-T212 WeakPolarHBondContact CG-OG1 3.47Å; P98-T212 PolarHBondContact O-N 2.93Å; P98-T212 VanDerWaalsContact O-N 3.07Å
99Y95Very high92.8Very high0 Ų037.8 Ų37.80%021%0.206CC..EExtended strand (participates in β ladder)trans-121.6134177-69.9-87.6000111.7T51 L93 T94 Y97 F180 F182 I209 Q210T51-Y99 VanDerWaalsContact O-CE1 3.27Å; T51-Y99 WeakPolarHBondContact O-CE1 3.48Å; T51-Y99 PolarHBondContact O-OH 3.44Å; T51-Y99 PolarHBondContact OG1-OH 3.29Å; L93-Y99 HydrophobicContact CD2-CD1 4.47Å; L93-Y99 HydrophobicContact CD2-CE1 4.01Å; T94-Y99 PolarHBondContact N-OH 2.95Å; T94-Y99 WeakPolarHBondContact O-CE2 3.05Å; Y97-Y99 WeakPolarHBondContact O-CD2 3.47Å; Y99-F180 PolarHBondContact N-O 3.18Å; Y99-F180 PolarHBondContact O-N 3.37Å; Y99-F182 AromaticContact CD2-CD2 3.43Å; Y99-F182 HydrophobicContact CD2-CD2 3.43Å; Y99-F182 VanDerWaalsContact CD2-CD2 3.43Å; Y99-F182 AromaticContact CD2-CE2 3.3Å; Y99-F182 HydrophobicContact CD2-CE2 3.3Å; Y99-F182 AromaticContact CE2-CD2 3.75Å; Y99-F182 HydrophobicContact CE2-CD2 3.75Å; Y99-F182 AromaticContact CE2-CE2 3.92Å; Y99-F182 HydrophobicContact CE2-CE2 3.92Å; Y99-F182 HydrophobicContact CG-CD2 4.28Å; Y99-F182 AromaticContact CG-CE2 3.69Å; Y99-F182 HydrophobicContact CG-CE2 3.69Å; Y99-I209 HydrophobicContact CD1-CG2 3.66Å; Y99-I209 HydrophobicContact CE1-CG2 4.42Å; Y99-I209 HydrophobicContact CG-CG2 4.08Å; Y99-Q210 CarbonylContact C-O 3.55Å; Y99-Q210 WeakPolarHBondContact CA-O 3.48Å
100M96Very high93.2Very high40 Ų4036.8 Ų36.820%0.19719%0.192CC..EExtended strand (participates in β ladder)trans-89.3126.3167.1-173.9-177-72.600108.9I102 E175 S177 Q210 T212M100-I102 HydrophobicContact CG-CD1 4.24Å; M100-I102 HydrophobicContact CG-CG1 3.91Å; M100-I102 HydrophobicContact SD-CD1 3.76Å; M100-I102 HydrophobicContact SD-CG1 4.07Å; M100-E175 HydrophobicContact CG-CG 4.14Å; M100-S177 CarbonylContact C-O 3.6Å; M100-S177 VanDerWaalsContact CA-O 3.31Å; M100-S177 WeakPolarHBondContact CA-O 3.49Å; M100-Q210 HydrophobicContact CB-CG 3.93Å; M100-Q210 PolarHBondContact N-O 2.8Å; M100-Q210 PolarHBondContact O-N 3.29Å; M100-Q210 PolarHBondContact SD-NE2 2.82Å; M100-T212 HydrophobicContact CE-CG2 4.36Å
101L96.6Very high93.5Very high1 Ų135.5 Ų35.51%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-104.5107.8-179.1-55.6177.5000108L123 L125 F136 M176 S177 F180 F182 I209L101-L123 HydrophobicContact CB-CD2 4.17Å; L101-L123 HydrophobicContact CD1-CD2 3.87Å; L101-L125 HydrophobicContact CD1-CD1 4.15Å; L101-F136 HydrophobicContact CD1-CD2 4.02Å; L101-F136 HydrophobicContact CD1-CE2 3.52Å; L101-F136 HydrophobicContact CD1-CZ 4.1Å; L101-M176 HydrophobicContact CB-CB 4.04Å; L101-M176 WeakPolarHBondContact O-CB 3.27Å; L101-M176 PolarHBondContact O-N 3.26Å; L101-S177 PolarHBondContact N-O 3.41Å; L101-S177 PolarHBondContact O-N 3.38Å; L101-F180 HydrophobicContact CD1-CB 4.28Å; L101-F180 HydrophobicContact CD1-CD1 4.34Å; L101-F182 HydrophobicContact CD2-CZ 4.46Å; L101-I209 HydrophobicContact CD2-CB 4.14Å; L101-I209 HydrophobicContact CD2-CD1 4.01Å; L101-I209 HydrophobicContact CD2-CG1 3.69Å; L101-I209 HydrophobicContact CD2-CG2 3.76Å
102I97.7Very high93.7Very high25 Ų2540.4 Ų40.413%0.12821%0.205CC..EExtended strand (participates in β ladder)trans-113.1126.6-179.6-57178.4000108.9M100 I174 K208M100-I102 HydrophobicContact CG-CD1 4.24Å; M100-I102 HydrophobicContact CG-CG1 3.91Å; M100-I102 HydrophobicContact SD-CD1 3.76Å; M100-I102 HydrophobicContact SD-CG1 4.07Å; I102-I174 WeakPolarHBondContact CA-O 3.45Å; I102-K208 HydrophobicContact CB-CB 4.37Å; I102-K208 PolarHBondContact N-O 2.97Å; I102-K208 PolarHBondContact O-N 3.37Å
103L97.7Very high93.8Very high1 Ų137.4 Ų37.41%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-101.9113.7171.3-179.154.5000109.4L58 I121 I174 M176 I193 E206L58-L103 HydrophobicContact CD1-CD1 3.37Å; L103-I121 HydrophobicContact CD2-CB 4.46Å; L103-I121 HydrophobicContact CD2-CD1 3.2Å; L103-I121 HydrophobicContact CD2-CG1 3.46Å; L103-I121 VanDerWaalsContact CD2-CG1 3.46Å; L103-I121 HydrophobicContact CD2-CG2 4.24Å; L103-I121 HydrophobicContact CG-CD1 4.26Å; L103-I174 HydrophobicContact CB-CB 4.49Å; L103-I174 PolarHBondContact N-O 2.89Å; L103-I174 PolarHBondContact O-N 3.37Å; L103-M176 HydrophobicContact CB-CG 4.19Å; L103-I193 HydrophobicContact CD1-CD1 3.8Å; L103-I193 HydrophobicContact CD2-CD1 4.29Å; L103-I193 HydrophobicContact CD2-CG2 3.87Å; L103-E206 WeakPolarHBondContact CD1-O 3.46Å
104N97.7Very high93.9Very high15 Ų1540.3 Ų40.38%0.0820%0.2CC..EExtended strand (participates in β ladder)trans-90.4120.5173.7-71.5-27.6000108.7W106 L171 S173 S205 E206N104-W106 HydrophobicContact CB-CE3 4.45Å; N104-W106 HydrophobicContact CB-CH2 3.87Å; N104-W106 HydrophobicContact CB-CZ3 3.78Å; N104-L171 HydrophobicContact CB-CD1 3.77Å; N104-S173 PolarHBondContact OD1-OG 2.96Å; N104-S205 CarbonylContact O-C 3.52Å; N104-S205 VanDerWaalsContact O-CA 3.3Å; N104-S205 WeakPolarHBondContact O-CA 3.31Å; N104-E206 HydrophobicContact CB-CB 4.19Å; N104-E206 PolarHBondContact N-O 3.29Å; N104-E206 PolarHBondContact ND2-OE2 3.44Å; N104-E206 PolarHBondContact O-N 2.91Å
105L96.8Very high94Very high1 Ų143.8 Ų43.81%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-121.9118.5178.4-173.564.6000109.1L60 L107 F140 L172 W202L60-L105 HydrophobicContact CD1-CD1 4.32Å; L105-L107 HydrophobicContact CD1-CD2 4.44Å; L105-L107 HydrophobicContact CD2-CD1 4.23Å; L105-L107 HydrophobicContact CD2-CD2 3.73Å; L105-L107 HydrophobicContact CD2-CG 4.1Å; L105-L107 HydrophobicContact CG-CD2 3.75Å; L105-L107 HydrophobicContact CG-CG 3.99Å; L105-F140 HydrophobicContact CD2-CE2 4.11Å; L105-F140 HydrophobicContact CD2-CZ 4Å; L105-L172 PolarHBondContact N-O 3.07Å; L105-L172 PolarHBondContact O-N 3.19Å; L105-W202 HydrophobicContact CD1-CB 3.92Å
106W96.6Very high94.1Very high60 Ų6041.3 Ų41.323%0.22720%0.201CC..EExtended strand (participates in β ladder)trans-90.1114.1174.6-69.6-102.3000109N104 L170 L171 W202 S203 A204 E206N104-W106 HydrophobicContact CB-CE3 4.45Å; N104-W106 HydrophobicContact CB-CH2 3.87Å; N104-W106 HydrophobicContact CB-CZ3 3.78Å; W106-L170 WeakPolarHBondContact CA-O 3.06Å; W106-L171 HydrophobicContact CD2-CD1 3.98Å; W106-L171 HydrophobicContact CE3-CD1 4.42Å; W106-L171 HydrophobicContact CG-CD1 4.44Å; W106-L171 HydrophobicContact CH2-CD1 4.47Å; W106-L171 HydrophobicContact CZ2-CD1 4Å; W106-W202 CarbonylContact O-C 3.58Å; W106-W202 WeakPolarHBondContact O-CA 3.37Å; W106-S203 PolarHBondContact O-N 3.44Å; W106-A204 HydrophobicContact CB-CB 4.2Å; W106-A204 HydrophobicContact CD2-CB 4.09Å; W106-A204 HydrophobicContact CE3-CB 3.72Å; W106-A204 HydrophobicContact CG-CB 4.33Å; W106-A204 HydrophobicContact CZ3-CB 4.35Å; W106-A204 PolarHBondContact N-O 3.27Å; W106-E206 HydrophobicContact CH2-CB 3.75Å; W106-E206 WeakPolarHBondContact CH2-OE2 3.29Å; W106-E206 HydrophobicContact CZ3-CB 3.54Å
107L95.5Very high94.3Very high0 Ų035.9 Ų35.90%019%0.188CC..EExtended strand (participates in β ladder)trans-112.4124.9-179.6-62176.1000109.4L105 D109 F140 E169 L170 L172 Y200 L201 W202L105-L107 HydrophobicContact CD1-CD2 4.44Å; L105-L107 HydrophobicContact CD2-CD1 4.23Å; L105-L107 HydrophobicContact CD2-CD2 3.73Å; L105-L107 HydrophobicContact CD2-CG 4.1Å; L105-L107 HydrophobicContact CG-CD2 3.75Å; L105-L107 HydrophobicContact CG-CG 3.99Å; L107-D109 PolarHBondContact O-N 3.22Å; L107-F140 HydrophobicContact CD1-CE2 4.35Å; L107-E169 WeakPolarHBondContact O-CA 3.29Å; L107-L170 PolarHBondContact N-O 2.9Å; L107-L170 PolarHBondContact O-N 3.37Å; L107-L172 HydrophobicContact CD1-CD2 4.33Å; L107-Y200 HydrophobicContact CD1-CD1 4.21Å; L107-Y200 HydrophobicContact CD1-CE1 4.36Å; L107-Y200 HydrophobicContact CD2-CD1 4.37Å; L107-L201 VanDerWaalsContact CD2-O 3.22Å; L107-L201 WeakPolarHBondContact CD2-O 3.36Å; L107-W202 HydrophobicContact CD2-CB 4.09Å
108P95.1Very high94.5Very high36 Ų3640 Ų4023%0.23421%0.21CC..EExtended strand (participates in β ladder)trans-56138.7168.9-24.332.3000111.5S110 N113 E168 L201 S203P108-S110 PolarHBondContact O-N 2.96Å; P108-N113 PolarHBondContact O-ND2 2.96Å; P108-E168 WeakPolarHBondContact CA-O 3.39Å; P108-L201 WeakPolarHBondContact CD-O 3.29Å; P108-S203 WeakPolarHBondContact CG-OG 3.49Å
109D91.7Very high94.6Very high28 Ų2838.9 Ų38.915%0.1520%0.203CC..  trans-76.963.7174.5-168.35.1000111.6L107 R114 M142 R150 E168L107-D109 PolarHBondContact O-N 3.22Å; D109-R114 VanDerWaalsContact C-NH1 3.33Å; D109-R114 PolarHBondContact O-NH1 3.17Å; D109-R114 WeakPolarHBondContact OD1-CD 3.36Å; D109-R114 IonicContact OD1-CZ 3.76Å; D109-R114 IonicContact OD1-NH1 2.73Å; D109-R114 PolarHBondContact OD1-NH1 2.78Å; D109-M142 HydrophobicContact CB-CE 4Å; D109-M142 VanDerWaalsContact OD1-CE 3.28Å; D109-M142 WeakPolarHBondContact OD1-CE 3.42Å; D109-R150 IonicContact OD1-NE 2.64Å; D109-R150 IonicContact OD2-NE 2.99Å; D109-R150 PolarHBondContact OD2-NE 2.93Å; D109-E168 PolarHBondContact N-O 2.85Å
110S91.7Very high94.7Very high27 Ų2741.5 Ų41.519%0.18922%0.217CC..  trans-96.7155178.769.30000111.9P108 H112 N113 R114P108-S110 PolarHBondContact O-N 2.96Å; S110-H112 PolarHBondContact O-N 2.75Å; S110-N113 PolarHBondContact O-N 2.79Å; S110-N113 PolarHBondContact OG-N 2.93Å; S110-R114 WeakPolarHBondContact O-CG 3.34Å; S110-R114 PolarHBondContact O-N 3.37Å; S110-R114 VanDerWaalsContact O-N 3.09Å
111I92.4Very high94.7Very high92 Ų9239.7 Ų39.747%0.47221%0.208SC..Hα-helixtrans-57.3-32.5174-166.568.6000111.9N115I111-N115 WeakPolarHBondContact O-CB 3.41Å; I111-N115 PolarHBondContact O-N 3.24Å
112H91.7Very high94.8Very high126 Ų12639.7 Ų39.758%0.58321%0.208SC*.Hα-helixtrans-62.7-50.3176.5-65.9-74.6000111.8S110 R114 N115 A116 L201S110-H112 PolarHBondContact O-N 2.75Å; H112-R114 VanDerWaalsContact C-N 3.34Å; H112-R114 PolarHBondContact O-N 3.01Å; H112-N115 PolarHBondContact O-N 2.82Å; H112-A116 WeakPolarHBondContact O-CB 3.16Å; H112-A116 PolarHBondContact O-N 2.77Å; H112-L201 HydrophobicContact CB-CD1 4.34Å
113N94Very high94.8Very high0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-67.5-34.7179.9-76.9-13.4000112.8P108 S110 A116 M142 Y200 L201P108-N113 PolarHBondContact O-ND2 2.96Å; S110-N113 PolarHBondContact O-N 2.79Å; S110-N113 PolarHBondContact OG-N 2.93Å; N113-A116 WeakPolarHBondContact O-CB 3.43Å; N113-A116 PolarHBondContact O-N 2.84Å; N113-M142 HydrophobicContact CB-SD 4.22Å; N113-Y200 HydrophobicContact CB-CD1 4.35Å; N113-Y200 WeakPolarHBondContact O-CE1 3.46Å; N113-Y200 WeakPolarHBondContact OD1-CA 3.28Å; N113-L201 PolarHBondContact ND2-O 2.93Å; N113-L201 PolarHBondContact OD1-N 3.32Å; N113-L201 PolarHBondContact OD1-O 3.39Å
114R91.8Very high94.8Very high71 Ų7138.8 Ų38.827%0.26820%0.203SC..Hα-helixtrans-65.1-41.3175.2-68.6-169.8-63.2-92.75.6112.4D109 S110 H112 A116 M142D109-R114 VanDerWaalsContact C-NH1 3.33Å; D109-R114 PolarHBondContact O-NH1 3.17Å; D109-R114 WeakPolarHBondContact OD1-CD 3.36Å; D109-R114 IonicContact OD1-CZ 3.76Å; D109-R114 IonicContact OD1-NH1 2.73Å; D109-R114 PolarHBondContact OD1-NH1 2.78Å; S110-R114 WeakPolarHBondContact O-CG 3.34Å; S110-R114 PolarHBondContact O-N 3.37Å; S110-R114 VanDerWaalsContact O-N 3.09Å; H112-R114 VanDerWaalsContact C-N 3.34Å; H112-R114 PolarHBondContact O-N 3.01Å; R114-A116 VanDerWaalsContact C-N 3.32Å; R114-M142 HydrophobicContact CB-SD 4.48Å; R114-M142 HydrophobicContact CG-CE 4.34Å; R114-M142 HydrophobicContact CG-SD 3.63Å
115N92.7Very high94.7Very high117 Ų11738.1 Ų38.163%0.62620%0.2SC*.Hα-helixtrans-87.2-1-178.7-65.7-12.6000113.4I111 H112 G117I111-N115 WeakPolarHBondContact O-CB 3.41Å; I111-N115 PolarHBondContact O-N 3.24Å; H112-N115 PolarHBondContact O-N 2.82Å; N115-G117 PolarHBondContact O-N 2.84Å
116A92.1Very high94.6Very high2 Ų239.7 Ų39.72%0.01721%0.206CC..THydrogen-bonded Turntrans-69.1-16.1178.900000113.2H112 N113 R114 R199 Y200H112-A116 WeakPolarHBondContact O-CB 3.16Å; H112-A116 PolarHBondContact O-N 2.77Å; N113-A116 WeakPolarHBondContact O-CB 3.43Å; N113-A116 PolarHBondContact O-N 2.84Å; R114-A116 VanDerWaalsContact C-N 3.32Å; A116-R199 HydrophobicContact CB-CB 3.98Å; A116-R199 PolarHBondContact O-NE 3.16Å; A116-R199 PolarHBondContact O-NH1 2.9Å; A116-R199 PolarHBondContact O-NH2 2.8Å; A116-Y200 HydrophobicContact CB-CD1 3.85Å; A116-Y200 HydrophobicContact CB-CD2 3.95Å; A116-Y200 HydrophobicContact CB-CE1 3.54Å; A116-Y200 HydrophobicContact CB-CE2 3.61Å; A116-Y200 HydrophobicContact CB-CG 4.04Å; A116-Y200 VanDerWaalsContact CB-CZ 3.42Å
117G92.9Very high94.4Very high39 Ų3937.2 Ų37.240%0.40220%0.199SC..  trans82.5-137.3172.300000113.8N115 S141 Y200N115-G117 PolarHBondContact O-N 2.84Å; G117-S141 WeakPolarHBondContact O-CB 3.37Å; G117-Y200 PolarHBondContact O-OH 3.42Å
118M94.9Very high94Very high127 Ų12746.2 Ų46.263%0.62623%0.233SC*.EExtended strand (participates in β ladder)trans-104.6139.5171-173.8178.4-67.400108.6P139M118-P139 HydrophobicContact CG-CB 4.15Å; M118-P139 HydrophobicContact SD-CB 3.87Å
119S95.4Very high93.7Very high8 Ų852.1 Ų52.16%0.05626%0.257CS..EExtended strand (participates in β ladder)trans-137.6171.217267.70000111.4P139 F140 Y200S119-P139 CarbonylContact O-C 3.6Å; S119-P139 VanDerWaalsContact O-CA 3.29Å; S119-P139 WeakPolarHBondContact O-CA 3.5Å; S119-F140 PolarHBondContact N-O 2.61Å; S119-F140 PolarHBondContact O-N 2.8Å; S119-F140 VanDerWaalsContact O-O 3.13Å; S119-F140 WeakPolarHBondContact OG-CE1 3.46Å; S119-F140 WeakPolarHBondContact OG-CZ 3.48Å; S119-Y200 WeakPolarHBondContact OG-CE2 3.43Å
120I97Very high93.6Very high56 Ų5656.6 Ų56.629%0.28728%0.277SS..EExtended strand (participates in β ladder)trans-107.2140.2-179.9-62.8171000108.3R137 K138 E196I120-R137 HydrophobicContact CG2-CB 4.12Å; I120-K138 WeakPolarHBondContact CA-O 3.27Å; I120-E196 HydrophobicContact CB-CB 4.17Å; I120-E196 HydrophobicContact CB-CG 4.44Å; I120-E196 WeakPolarHBondContact CB-OE2 3.49Å; I120-E196 HydrophobicContact CG2-CG 4.45Å; I120-E196 WeakPolarHBondContact O-CA 3.45Å; I120-E196 VanDerWaalsContact O-CB 3.31Å; I120-E196 WeakPolarHBondContact O-CB 3.41Å; I120-E196 PolarHBondContact O-N 3.47Å
121I97.3Very high93.6Very high1 Ų158.9 Ų58.91%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-112.9136.3164.1-161.2142.7000109.1L103 R137 K138 F140 I174 M176 I193 L195L103-I121 HydrophobicContact CD2-CB 4.46Å; L103-I121 HydrophobicContact CD2-CD1 3.2Å; L103-I121 HydrophobicContact CD2-CG1 3.46Å; L103-I121 VanDerWaalsContact CD2-CG1 3.46Å; L103-I121 HydrophobicContact CD2-CG2 4.24Å; L103-I121 HydrophobicContact CG-CD1 4.26Å; I121-R137 WeakPolarHBondContact O-CA 3.43Å; I121-K138 HydrophobicContact CG2-CB 4.5Å; I121-K138 PolarHBondContact N-O 3.46Å; I121-K138 PolarHBondContact O-N 2.66Å; I121-F140 HydrophobicContact CB-CD1 3.88Å; I121-F140 HydrophobicContact CB-CE1 3.87Å; I121-F140 HydrophobicContact CD1-CE1 4.34Å; I121-F140 HydrophobicContact CG2-CD1 4.02Å; I121-F140 HydrophobicContact CG2-CE1 4.48Å; I121-I174 HydrophobicContact CG2-CD1 3.82Å; I121-I174 HydrophobicContact CG2-CG2 4.1Å; I121-M176 HydrophobicContact CG2-CE 4.07Å; I121-M176 HydrophobicContact CG2-SD 3.74Å; I121-M176 WeakPolarHBondContact O-CE 3.41Å; I121-I193 HydrophobicContact CD1-CG2 4.2Å; I121-I193 HydrophobicContact CG1-CG2 4.07Å; I121-L195 HydrophobicContact CD1-CD1 4.21Å
122T98Very high93.7Very high2 Ų258 Ų581%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-120.6126.2-175-67.20000109.1E124 R135 F136 R137 I193 I194 E196T122-E124 HydrophobicContact CG2-CG 3.97Å; T122-R135 HydrophobicContact CG2-CG 3.87Å; T122-F136 CarbonylContact C-O 3.57Å; T122-F136 VanDerWaalsContact CA-O 3.29Å; T122-F136 WeakPolarHBondContact CA-O 3.4Å; T122-R137 HydrophobicContact CG2-CG 3.94Å; T122-R137 WeakPolarHBondContact OG1-CG 3.33Å; T122-R137 PolarHBondContact OG1-NE 2.83Å; T122-I193 CarbonylContact O-C 3.55Å; T122-I193 VanDerWaalsContact O-CA 3.31Å; T122-I193 WeakPolarHBondContact O-CA 3.34Å; T122-I194 PolarHBondContact N-O 2.93Å; T122-I194 PolarHBondContact O-N 3.48Å; T122-E196 PolarHBondContact OG1-OE1 3.28Å
123L97.8Very high93.8Very high0 Ų053.4 Ų53.40%027%0.265CS..EExtended strand (participates in β ladder)trans-111.4121.6174.617167.9000108.2F83 L101 L125 R135 F136 M176 I193 L207F83-L123 HydrophobicContact CE1-CD1 3.89Å; F83-L123 HydrophobicContact CZ-CD1 3.73Å; L101-L123 HydrophobicContact CB-CD2 4.17Å; L101-L123 HydrophobicContact CD1-CD2 3.87Å; L123-L125 HydrophobicContact CD1-CD2 4.16Å; L123-L125 HydrophobicContact CG-CD2 4.33Å; L123-R135 CarbonylContact O-C 3.55Å; L123-R135 WeakPolarHBondContact O-CA 3.15Å; L123-F136 HydrophobicContact CB-CB 4.31Å; L123-F136 HydrophobicContact CD2-CD2 4.09Å; L123-F136 HydrophobicContact CG-CD2 4.36Å; L123-F136 PolarHBondContact N-O 3.38Å; L123-F136 PolarHBondContact O-N 2.8Å; L123-M176 HydrophobicContact CB-CE 3.53Å; L123-M176 HydrophobicContact CB-CG 4.24Å; L123-M176 HydrophobicContact CD2-CB 3.85Å; L123-M176 HydrophobicContact CD2-CG 3.97Å; L123-I193 HydrophobicContact CB-CG1 4.43Å; L123-I193 HydrophobicContact CD1-CD1 3.94Å; L123-I193 HydrophobicContact CD1-CG1 3.53Å; L123-L207 HydrophobicContact CD1-CD1 4.45Å; L123-L207 HydrophobicContact CD1-CD2 4.23Å; L123-L207 HydrophobicContact CD2-CD1 4.28Å
124E97.2Very high93.8Very high6 Ų657 Ų573%0.02828%0.282CS..EExtended strand (participates in β ladder)trans-114.4132.3178.2-59.3-174.5137.500108.8T122 Y126 L132 R135 G191 R192T122-E124 HydrophobicContact CG2-CG 3.97Å; E124-Y126 HydrophobicContact CB-CE2 3.89Å; E124-Y126 PolarHBondContact OE2-OH 3.47Å; E124-L132 HydrophobicContact CB-CD1 3.73Å; E124-L132 HydrophobicContact CG-CD1 4.15Å; E124-R135 HydrophobicContact CG-CG 4.15Å; E124-R135 IonicContact OE1-CZ 3.02Å; E124-R135 IonicContact OE1-NE 2.73Å; E124-R135 PolarHBondContact OE1-NE 2.9Å; E124-R135 IonicContact OE1-NH2 3.7Å; E124-R135 PolarHBondContact OE1-NH2 3.2Å; E124-G191 CarbonylContact O-C 3.5Å; E124-G191 WeakPolarHBondContact O-CA 3.4Å; E124-R192 HydrophobicContact CB-CB 4.31Å; E124-R192 PolarHBondContact N-O 3Å; E124-R192 PolarHBondContact O-N 3.11Å
125L95.7Very high94Very high1 Ų159.8 Ų59.81%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-113.8132.9178.1-59.3176.5000109.4F83 L101 L123 I133 Q134 F136 F180 F182 V188F83-L125 HydrophobicContact CZ-CD2 4.19Å; L101-L125 HydrophobicContact CD1-CD1 4.15Å; L123-L125 HydrophobicContact CD1-CD2 4.16Å; L123-L125 HydrophobicContact CG-CD2 4.33Å; L125-I133 PolarHBondContact O-N 3Å; L125-Q134 PolarHBondContact N-O 2.88Å; L125-F136 HydrophobicContact CD1-CE2 3.93Å; L125-F180 HydrophobicContact CD1-CD1 4.16Å; L125-F180 HydrophobicContact CD1-CE1 3.75Å; L125-F180 HydrophobicContact CD1-CZ 4.48Å; L125-F182 HydrophobicContact CD1-CE1 4.09Å; L125-V188 HydrophobicContact CB-CG1 4.14Å; L125-V188 HydrophobicContact CB-CG2 4.12Å; L125-V188 HydrophobicContact CD2-CG1 4.23Å
126Y95.1Very high94.3Very high34 Ų3455.4 Ų55.413%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-120.6141.8-173.5-65.4-76.3000112.3E124 H130 V131 L132 F189 E190 R192E124-Y126 HydrophobicContact CB-CE2 3.89Å; E124-Y126 PolarHBondContact OE2-OH 3.47Å; Y126-H130 VanDerWaalsContact CD1-O 3.24Å; Y126-H130 WeakPolarHBondContact CD1-O 3.45Å; Y126-V131 WeakPolarHBondContact CA-O 3.4Å; Y126-L132 HydrophobicContact CD1-CB 4.34Å; Y126-L132 HydrophobicContact CD1-CD1 4.45Å; Y126-L132 HydrophobicContact CE1-CB 4.09Å; Y126-L132 HydrophobicContact CE1-CD1 4Å; Y126-F189 PolarHBondContact O-N 3.46Å; Y126-E190 PolarHBondContact N-O 2.96Å; Y126-E190 PolarHBondContact O-N 3.35Å; Y126-R192 HydrophobicContact CE2-CB 3.8Å
127G92.6Very high94.5Very high8 Ų861.8 Ų61.88%0.08229%0.291CS..  trans-86.1-166.8173.200000113.8E129 H130 V131 P187G127-E129 PolarHBondContact O-N 3.15Å; G127-H130 PolarHBondContact O-N 3.14Å; G127-V131 PolarHBondContact N-O 3Å; G127-P187 WeakPolarHBondContact CA-O 3.23Å
128R87.2Confident94.7Very high190 Ų19064.1 Ų64.172%0.71729%0.29SS*.THydrogen-bonded Turntrans-60.8-25.6-174.9-171.6176.2-82.8178.4-7.7114.7F189R128-F189 HydrophobicContact CB-CD2 3.89Å; R128-F189 HydrophobicContact CB-CE2 3.7Å; R128-F189 HydrophobicContact CB-CZ 4.38Å; R128-F189 HydrophobicContact CG-CE2 4.36Å
129E87.7Confident94.8Very high160 Ų16062 Ų6275%0.74829%0.286SS*.THydrogen-bonded Turntrans-110.925.9-177.8-64.4179.3177.400112.3G127 V131G127-E129 PolarHBondContact O-N 3.15Å; E129-V131 HydrophobicContact CB-CG2 4.05Å; E129-V131 PolarHBondContact O-N 2.84Å
130H89.6Confident94.8Very high122 Ų12262.1 Ų62.157%0.56529%0.286SS*.SBendtrans53.624.3-170.8-53.9-71.7000113.9Y126 G127 L132 E190Y126-H130 VanDerWaalsContact CD1-O 3.24Å; Y126-H130 WeakPolarHBondContact CD1-O 3.45Å; G127-H130 PolarHBondContact O-N 3.14Å; H130-L132 PolarHBondContact O-N 2.74Å; H130-E190 IonicContact CE1-OE1 3.2Å; H130-E190 IonicContact CE1-OE2 2.78Å; H130-E190 PolarHBondContact CE1-OE2 3.27Å; H130-E190 IonicContact ND1-OE2 3.06Å; H130-E190 PolarHBondContact ND1-OE2 2.96Å
131V92.9Very high94.7Very high75 Ų7561.9 Ų61.946%0.45529%0.289SS..  trans-74.1126.7172.7177.60000108.2Y126 G127 E129 I133Y126-V131 WeakPolarHBondContact CA-O 3.4Å; G127-V131 PolarHBondContact N-O 3Å; E129-V131 HydrophobicContact CB-CG2 4.05Å; E129-V131 PolarHBondContact O-N 2.84Å; V131-I133 PolarHBondContact O-N 3.45Å
132L94.6Very high94.4Very high72 Ų7263.1 Ų63.138%0.37730%0.295SS..EExtended strand (participates in β ladder)trans-65.8114.6175.8-178.473.6000109.2E124 Y126 H130 R135E124-L132 HydrophobicContact CB-CD1 3.73Å; E124-L132 HydrophobicContact CG-CD1 4.15Å; Y126-L132 HydrophobicContact CD1-CB 4.34Å; Y126-L132 HydrophobicContact CD1-CD1 4.45Å; Y126-L132 HydrophobicContact CE1-CB 4.09Å; Y126-L132 HydrophobicContact CE1-CD1 4Å; H130-L132 PolarHBondContact O-N 2.74Å; L132-R135 HydrophobicContact CD1-CB 4.48Å; L132-R135 HydrophobicContact CD2-CB 4.33Å
133I93.2Very high94.2Very high30 Ų3065.9 Ų65.915%0.15431%0.313CS..EExtended strand (participates in β ladder)trans-84-51.8176.9-65.9166.6000109.1L125 V131 Q186 V188L125-I133 PolarHBondContact O-N 3Å; V131-I133 PolarHBondContact O-N 3.45Å; I133-Q186 HydrophobicContact CD1-CB 4.05Å; I133-Q186 WeakPolarHBondContact CD1-O 3.2Å; I133-Q186 HydrophobicContact CG1-CB 4.21Å; I133-V188 HydrophobicContact CD1-CG2 3.62Å
134Q94.2Very high93.9Very high76 Ų7675.8 Ų75.836%0.35535%0.352SS..EExtended strand (participates in β ladder)trans-148.9142.7-176.1-171.46138.600110.6L125 F136 F180L125-Q134 PolarHBondContact N-O 2.88Å; Q134-F136 HydrophobicContact CB-CE2 4.17Å; Q134-F136 HydrophobicContact CB-CZ 4.38Å; Q134-F136 HydrophobicContact CG-CD1 4.47Å; Q134-F136 HydrophobicContact CG-CD2 4.13Å; Q134-F136 HydrophobicContact CG-CE1 3.87Å; Q134-F136 HydrophobicContact CG-CE2 3.49Å; Q134-F136 VanDerWaalsContact CG-CE2 3.49Å; Q134-F136 HydrophobicContact CG-CZ 3.35Å; Q134-F180 HydrophobicContact CB-CE2 4.02Å; Q134-F180 HydrophobicContact CB-CZ 3.78Å; Q134-F180 HydrophobicContact CG-CE2 3.81Å; Q134-F180 HydrophobicContact CG-CZ 4.08Å
135R96.6Very high93.6Very high129 Ų12980.9 Ų80.949%0.48737%0.371SS..EExtended strand (participates in β ladder)trans-119.9125.3172.2-179.8-176.9-76.2169.1-5109.2T122 L123 E124 L132 R137T122-R135 HydrophobicContact CG2-CG 3.87Å; L123-R135 CarbonylContact O-C 3.55Å; L123-R135 WeakPolarHBondContact O-CA 3.15Å; E124-R135 HydrophobicContact CG-CG 4.15Å; E124-R135 IonicContact OE1-CZ 3.02Å; E124-R135 IonicContact OE1-NE 2.73Å; E124-R135 PolarHBondContact OE1-NE 2.9Å; E124-R135 IonicContact OE1-NH2 3.7Å; E124-R135 PolarHBondContact OE1-NH2 3.2Å; L132-R135 HydrophobicContact CD1-CB 4.48Å; L132-R135 HydrophobicContact CD2-CB 4.33Å; R135-R137 HydrophobicContact CG-CG 4.11Å
136F97.4Very high93.5Very high26 Ų2682.2 Ų82.211%0.11438%0.381CS..EExtended strand (participates in β ladder)trans-109.8131.7172.1-59.4-77.8000109.1L101 T122 L123 L125 Q134 M176 F180L101-F136 HydrophobicContact CD1-CD2 4.02Å; L101-F136 HydrophobicContact CD1-CE2 3.52Å; L101-F136 HydrophobicContact CD1-CZ 4.1Å; T122-F136 CarbonylContact C-O 3.57Å; T122-F136 VanDerWaalsContact CA-O 3.29Å; T122-F136 WeakPolarHBondContact CA-O 3.4Å; L123-F136 HydrophobicContact CB-CB 4.31Å; L123-F136 HydrophobicContact CD2-CD2 4.09Å; L123-F136 HydrophobicContact CG-CD2 4.36Å; L123-F136 PolarHBondContact N-O 3.38Å; L123-F136 PolarHBondContact O-N 2.8Å; L125-F136 HydrophobicContact CD1-CE2 3.93Å; Q134-F136 HydrophobicContact CB-CE2 4.17Å; Q134-F136 HydrophobicContact CB-CZ 4.38Å; Q134-F136 HydrophobicContact CG-CD1 4.47Å; Q134-F136 HydrophobicContact CG-CD2 4.13Å; Q134-F136 HydrophobicContact CG-CE1 3.87Å; Q134-F136 HydrophobicContact CG-CE2 3.49Å; Q134-F136 VanDerWaalsContact CG-CE2 3.49Å; Q134-F136 HydrophobicContact CG-CZ 3.35Å; F136-M176 HydrophobicContact CB-CB 4.22Å; F136-M176 HydrophobicContact CB-CE 3.93Å; F136-M176 WeakPolarHBondContact O-CE 3.49Å; F136-F180 HydrophobicContact CE1-CD2 4.43Å; F136-F180 HydrophobicContact CE2-CD1 4.5Å; F136-F180 HydrophobicContact CE2-CD2 4.43Å; F136-F180 HydrophobicContact CE2-CG 4.34Å; F136-F180 HydrophobicContact CZ-CB 4.1Å; F136-F180 HydrophobicContact CZ-CD1 4.32Å; F136-F180 AromaticContact CZ-CD2 3.57Å; F136-F180 HydrophobicContact CZ-CD2 3.57Å; F136-F180 AromaticContact CZ-CE2 4Å; F136-F180 HydrophobicContact CZ-CE2 4Å; F136-F180 AromaticContact CZ-CG 3.73Å; F136-F180 HydrophobicContact CZ-CG 3.73Å
137R97.5Very high93.4Very high135 Ų13586 Ų8651%0.50940%0.403SS..EExtended strand (participates in β ladder)trans-126.6123.9176.3-57.6-174.567.4-152.2-0.1108.1I120 I121 T122 R135 E196I120-R137 HydrophobicContact CG2-CB 4.12Å; I121-R137 WeakPolarHBondContact O-CA 3.43Å; T122-R137 HydrophobicContact CG2-CG 3.94Å; T122-R137 WeakPolarHBondContact OG1-CG 3.33Å; T122-R137 PolarHBondContact OG1-NE 2.83Å; R135-R137 HydrophobicContact CG-CG 4.11Å; R137-E196 IonicContact CZ-OE1 3.52Å; R137-E196 IonicContact CZ-OE2 3.73Å; R137-E196 IonicContact NE-OE1 3.17Å; R137-E196 PolarHBondContact NE-OE1 2.94Å; R137-E196 IonicContact NE-OE2 3.97Å; R137-E196 VanDerWaalsContact NH2-CD 3.34Å; R137-E196 IonicContact NH2-OE1 3.13Å; R137-E196 PolarHBondContact NH2-OE1 3.31Å; R137-E196 VanDerWaalsContact NH2-OE1 3.13Å; R137-E196 IonicContact NH2-OE2 2.7Å; R137-E196 PolarHBondContact NH2-OE2 3.41Å
138K97.2Very high93.6Very high88 Ų8891.6 Ų91.638%0.38343%0.427SS..EExtended strand (participates in β ladder)trans-130.4132.3179.3-69.3-66.1-172.1173.60110.3I120 I121 I174 E175 M176I120-K138 WeakPolarHBondContact CA-O 3.27Å; I121-K138 HydrophobicContact CG2-CB 4.5Å; I121-K138 PolarHBondContact N-O 3.46Å; I121-K138 PolarHBondContact O-N 2.66Å; K138-I174 HydrophobicContact CB-CG2 3.94Å; K138-E175 WeakPolarHBondContact CE-O 3.49Å; K138-M176 HydrophobicContact CB-CE 4.37Å; K138-M176 HydrophobicContact CB-SD 3.99Å; K138-M176 WeakPolarHBondContact CE-O 3.37Å; K138-M176 HydrophobicContact CG-CE 4.27Å; K138-M176 HydrophobicContact CG-SD 3.91Å
139P96.7Very high94Very high82 Ų8286.4 Ų86.453%0.53242%0.416SS..EExtended strand (participates in β ladder)trans-72.2146.9168.932.2-33.3000109.5M118 S119M118-P139 HydrophobicContact CG-CB 4.15Å; M118-P139 HydrophobicContact SD-CB 3.87Å; S119-P139 CarbonylContact O-C 3.6Å; S119-P139 VanDerWaalsContact O-CA 3.29Å; S119-P139 WeakPolarHBondContact O-CA 3.5Å
140F95.6Very high94.2Very high11 Ų1180.2 Ų80.25%0.04839%0.386CS..EExtended strand (participates in β ladder)trans-144.1156170.879.3-90.9000110L105 L107 S119 I121 L172 I174 L195 Y200L105-F140 HydrophobicContact CD2-CE2 4.11Å; L105-F140 HydrophobicContact CD2-CZ 4Å; L107-F140 HydrophobicContact CD1-CE2 4.35Å; S119-F140 PolarHBondContact N-O 2.61Å; S119-F140 PolarHBondContact O-N 2.8Å; S119-F140 VanDerWaalsContact O-O 3.13Å; S119-F140 WeakPolarHBondContact OG-CE1 3.46Å; S119-F140 WeakPolarHBondContact OG-CZ 3.48Å; I121-F140 HydrophobicContact CB-CD1 3.88Å; I121-F140 HydrophobicContact CB-CE1 3.87Å; I121-F140 HydrophobicContact CD1-CE1 4.34Å; I121-F140 HydrophobicContact CG2-CD1 4.02Å; I121-F140 HydrophobicContact CG2-CE1 4.48Å; F140-L172 HydrophobicContact CB-CD2 4Å; F140-L172 HydrophobicContact CD2-CD2 3.27Å; F140-L172 HydrophobicContact CE2-CD2 4Å; F140-L172 HydrophobicContact CG-CD2 3.93Å; F140-I174 HydrophobicContact CB-CD1 3.57Å; F140-I174 HydrophobicContact CB-CG1 4.06Å; F140-I174 HydrophobicContact CD1-CD1 3.79Å; F140-I174 HydrophobicContact CD2-CD1 4.21Å; F140-I174 HydrophobicContact CG-CD1 3.58Å; F140-L195 HydrophobicContact CE1-CD1 3.47Å; F140-L195 VanDerWaalsContact CE1-CD1 3.47Å; F140-L195 HydrophobicContact CZ-CD1 3.4Å; F140-Y200 HydrophobicContact CE2-CD2 4.41Å; F140-Y200 HydrophobicContact CE2-CE1 4.22Å; F140-Y200 HydrophobicContact CE2-CE2 4.14Å; F140-Y200 HydrophobicContact CZ-CD2 4.17Å; F140-Y200 HydrophobicContact CZ-CE2 4.18Å
141S93.6Very high94.5Very high52 Ų5280.5 Ų80.536%0.36439%0.389SS..EExtended strand (participates in β ladder)trans-146.6155.4174.657.90000108.7G117G117-S141 WeakPolarHBondContact O-CB 3.37Å
142M92.5Very high94.7Very high26 Ų2682.3 Ų82.313%0.12840%0.395CS..PPolyproline II helixtrans-64.3132.1169.7-165.1170.8-17500108.8D109 N113 R114 Y144 L170D109-M142 HydrophobicContact CB-CE 4Å; D109-M142 VanDerWaalsContact OD1-CE 3.28Å; D109-M142 WeakPolarHBondContact OD1-CE 3.42Å; N113-M142 HydrophobicContact CB-SD 4.22Å; R114-M142 HydrophobicContact CB-SD 4.48Å; R114-M142 HydrophobicContact CG-CE 4.34Å; R114-M142 HydrophobicContact CG-SD 3.63Å; M142-Y144 PolarHBondContact O-N 3.21Å; M142-L170 HydrophobicContact CE-CB 4.2Å; M142-L170 HydrophobicContact CE-CD2 3.82Å; M142-L170 HydrophobicContact CG-CD2 3.75Å
143P92.3Very high94.6Very high61 Ų6180.3 Ų80.340%0.39639%0.387SS..PPolyproline II helixtrans-59.6132175.225.1-34000110R145 L170P143-R145 PolarHBondContact O-N 3.24Å; P143-L170 HydrophobicContact CG-CD1 4.32Å; P143-L170 HydrophobicContact CG-CD2 3.6Å
144Y91.7Very high94.6Very high207 Ų20781.3 Ų81.381%0.81239%0.393SS*.PPolyproline II helixtrans-65131.7177.4176.7-101.1000110.5M142M142-Y144 PolarHBondContact O-N 3.21Å
145R91.5Very high94.7Very high114 Ų11482.7 Ų82.743%0.4340%0.402SS..  trans-133.8130.5168.9-65.4-177.9-179175.7-0.3107.2P143 R150P143-R145 PolarHBondContact O-N 3.24Å; R145-R150 PolarHBondContact O-NH2 2.93Å; R145-R150 VanDerWaalsContact O-NH2 3.16Å
146S94.5Very high94.7Very high29 Ų2982.2 Ų82.220%0.20341%0.408CS..  trans-67156176.481.60000110.6E148 V149 R150S146-E148 WeakPolarHBondContact CB-OE2 2.8Å; S146-E148 PolarHBondContact O-N 2.8Å; S146-E148 PolarHBondContact OG-OE2 3.07Å; S146-V149 PolarHBondContact O-N 3.07Å; S146-V149 WeakPolarHBondContact OG-CG2 3.39Å; S146-V149 PolarHBondContact OG-N 3.25Å; S146-R150 PolarHBondContact O-N 2.97Å; S146-R150 VanDerWaalsContact O-N 3.09Å
147D93.3Very high94.6Very high114 Ų11484.6 Ų84.661%0.6142%0.419SS*.Hα-helixtrans-66.9-29.1-176-69.6-30.4000111.8R150 M151D147-R150 PolarHBondContact O-N 2.91Å; D147-R150 IonicContact OD1-CZ 3.63Å; D147-R150 IonicContact OD1-NH1 3.91Å; D147-R150 PolarHBondContact OD1-NH1 3.46Å; D147-M151 WeakPolarHBondContact O-CB 3.48Å; D147-M151 PolarHBondContact O-N 3.41Å
148E95.9Very high94.5Very high124 Ų12480.4 Ų80.458%0.57941%0.41SS*.Hα-helixtrans-67.7-45175.7-47.178.9-172.100111.1S146 R150 M151 I152S146-E148 WeakPolarHBondContact CB-OE2 2.8Å; S146-E148 PolarHBondContact O-N 2.8Å; S146-E148 PolarHBondContact OG-OE2 3.07Å; E148-R150 VanDerWaalsContact C-N 3.3Å; E148-R150 PolarHBondContact O-N 3.42Å; E148-M151 PolarHBondContact O-N 3.07Å; E148-I152 VanDerWaalsContact O-CG1 3.31Å; E148-I152 WeakPolarHBondContact O-CG1 3.42Å; E148-I152 PolarHBondContact O-N 3.29Å
149V94.9Very high94.5Very high81 Ų8179.7 Ų79.749%0.49141%0.414SS..Hα-helixtrans-63-40.3177173.70000110.4S146 S153S146-V149 PolarHBondContact O-N 3.07Å; S146-V149 WeakPolarHBondContact OG-CG2 3.39Å; S146-V149 PolarHBondContact OG-N 3.25Å; V149-S153 VanDerWaalsContact O-CB 3.3Å; V149-S153 WeakPolarHBondContact O-CB 2.9Å; V149-S153 PolarHBondContact O-N 2.93Å
150R92.7Very high94.5Very high31 Ų3179.5 Ų79.512%0.11741%0.408CS..Hα-helixtrans-65.5-44.3175.9-166.8-178.5-60.3102.417.7111.3D109 R145 S146 D147 E148 I152 S153 N154D109-R150 IonicContact OD1-NE 2.64Å; D109-R150 IonicContact OD2-NE 2.99Å; D109-R150 PolarHBondContact OD2-NE 2.93Å; R145-R150 PolarHBondContact O-NH2 2.93Å; R145-R150 VanDerWaalsContact O-NH2 3.16Å; S146-R150 PolarHBondContact O-N 2.97Å; S146-R150 VanDerWaalsContact O-N 3.09Å; D147-R150 PolarHBondContact O-N 2.91Å; D147-R150 IonicContact OD1-CZ 3.63Å; D147-R150 IonicContact OD1-NH1 3.91Å; D147-R150 PolarHBondContact OD1-NH1 3.46Å; E148-R150 VanDerWaalsContact C-N 3.3Å; E148-R150 PolarHBondContact O-N 3.42Å; R150-I152 PolarHBondContact O-N 3.44Å; R150-S153 PolarHBondContact O-N 2.95Å; R150-N154 VanDerWaalsContact O-CB 3.3Å; R150-N154 WeakPolarHBondContact O-CB 3.27Å; R150-N154 VanDerWaalsContact O-CG 3.22Å; R150-N154 PolarHBondContact O-N 2.95Å; R150-N154 PolarHBondContact O-OD1 3.27Å
151M95.3Very high94.4Very high127 Ų12781.3 Ų81.363%0.62642%0.415SS*.Hα-helixtrans-58.8-47.9177.1-176.4178.5179.700111.1D147 E148 N154 I155D147-M151 WeakPolarHBondContact O-CB 3.48Å; D147-M151 PolarHBondContact O-N 3.41Å; E148-M151 PolarHBondContact O-N 3.07Å; M151-N154 PolarHBondContact O-N 3.31Å; M151-I155 HydrophobicContact CE-CD1 3.99Å; M151-I155 HydrophobicContact CG-CD1 3.86Å; M151-I155 WeakPolarHBondContact O-CB 3.31Å; M151-I155 VanDerWaalsContact O-CG1 3.24Å; M151-I155 WeakPolarHBondContact O-CG1 3.32Å; M151-I155 PolarHBondContact O-N 2.77Å
152I96.6Very high94.5Very high113 Ų11385.6 Ų85.658%0.57943%0.433SS*.Hα-helixtrans-61.6-46.4177.2-66.8166.5000110.8E148 R150 N154 I155 L156E148-I152 VanDerWaalsContact O-CG1 3.31Å; E148-I152 WeakPolarHBondContact O-CG1 3.42Å; E148-I152 PolarHBondContact O-N 3.29Å; R150-I152 PolarHBondContact O-N 3.44Å; I152-N154 VanDerWaalsContact C-N 3.34Å; I152-N154 PolarHBondContact O-N 2.85Å; I152-I155 PolarHBondContact O-N 2.99Å; I152-L156 VanDerWaalsContact O-CB 3.27Å; I152-L156 WeakPolarHBondContact O-CB 3.4Å; I152-L156 PolarHBondContact O-N 3.03Å
153S93.7Very high94.7Very high31 Ų3190.2 Ų90.222%0.21746%0.457CS..Hα-helixtrans-61.1-42.8178.1-173.60000111.9V149 R150 L156 F157V149-S153 VanDerWaalsContact O-CB 3.3Å; V149-S153 WeakPolarHBondContact O-CB 2.9Å; V149-S153 PolarHBondContact O-N 2.93Å; R150-S153 PolarHBondContact O-N 2.95Å; S153-L156 PolarHBondContact O-N 3.42Å; S153-F157 WeakPolarHBondContact O-CB 3.37Å; S153-F157 WeakPolarHBondContact O-CD2 3.36Å; S153-F157 PolarHBondContact O-N 3.39Å
154N93.8Very high94.7Very high51 Ų5190.2 Ų90.227%0.27347%0.467SS..Hα-helixtrans-70.5-37.5-178.7-72.37.7000111.3R150 M151 I152 S158R150-N154 VanDerWaalsContact O-CB 3.3Å; R150-N154 WeakPolarHBondContact O-CB 3.27Å; R150-N154 VanDerWaalsContact O-CG 3.22Å; R150-N154 PolarHBondContact O-N 2.95Å; R150-N154 PolarHBondContact O-OD1 3.27Å; M151-N154 PolarHBondContact O-N 3.31Å; I152-N154 VanDerWaalsContact C-N 3.34Å; I152-N154 PolarHBondContact O-N 2.85Å; N154-S158 VanDerWaalsContact O-CA 3.28Å; N154-S158 WeakPolarHBondContact O-CA 3.32Å; N154-S158 WeakPolarHBondContact O-CB 3.31Å; N154-S158 PolarHBondContact O-N 3.36Å
155I96Very high94.8Very high105 Ų10590.5 Ų90.554%0.53847%0.467SS..Hα-helixtrans-64.1-49.4172.5-69.3166.6000110.1M151 I152 F157 S158M151-I155 HydrophobicContact CE-CD1 3.99Å; M151-I155 HydrophobicContact CG-CD1 3.86Å; M151-I155 WeakPolarHBondContact O-CB 3.31Å; M151-I155 VanDerWaalsContact O-CG1 3.24Å; M151-I155 WeakPolarHBondContact O-CG1 3.32Å; M151-I155 PolarHBondContact O-N 2.77Å; I152-I155 PolarHBondContact O-N 2.99Å; I155-F157 PolarHBondContact O-N 3.48Å; I155-S158 WeakPolarHBondContact O-CB 3.39Å; I155-S158 PolarHBondContact O-N 3.28Å; I155-S158 PolarHBondContact O-OG 3.05Å
156L96.5Very high94.9Very high118 Ų11888.8 Ų88.862%0.61846%0.464SS*.Hα-helixtrans-61.1-43-177.4-177.562.8000112.4I152 S153I152-L156 VanDerWaalsContact O-CB 3.27Å; I152-L156 WeakPolarHBondContact O-CB 3.4Å; I152-L156 PolarHBondContact O-N 3.03Å; S153-L156 PolarHBondContact O-N 3.42Å
157F95.6Very high94.8Very high77 Ų7794.4 Ų94.434%0.33849%0.485SS..Hα-helixtrans-95.84.2-179.3-61.1-62.8000113.9S153 I155 P159 L160 Y161 M166S153-F157 WeakPolarHBondContact O-CB 3.37Å; S153-F157 WeakPolarHBondContact O-CD2 3.36Å; S153-F157 PolarHBondContact O-N 3.39Å; I155-F157 PolarHBondContact O-N 3.48Å; F157-P159 VanDerWaalsContact C-N 3.35Å; F157-L160 HydrophobicContact CD1-CD1 3.95Å; F157-L160 WeakPolarHBondContact O-CB 3.14Å; F157-L160 PolarHBondContact O-N 2.83Å; F157-Y161 HydrophobicContact CB-CD2 4.2Å; F157-Y161 HydrophobicContact CB-CE2 3.6Å; F157-Y161 VanDerWaalsContact O-CD2 3.24Å; F157-Y161 WeakPolarHBondContact O-CD2 3Å; F157-Y161 PolarHBondContact O-N 2.97Å; F157-M166 HydrophobicContact CB-SD 4.24Å; F157-M166 HydrophobicContact CG-SD 4.37Å
158S95.6Very high94.7Very high46 Ų4693.7 Ų93.732%0.32248%0.478SS..Hα-helixtrans-51.7-41.4179.660.80000114.4N154 I155 L160 Y161 I162N154-S158 VanDerWaalsContact O-CA 3.28Å; N154-S158 WeakPolarHBondContact O-CA 3.32Å; N154-S158 WeakPolarHBondContact O-CB 3.31Å; N154-S158 PolarHBondContact O-N 3.36Å; I155-S158 WeakPolarHBondContact O-CB 3.39Å; I155-S158 PolarHBondContact O-N 3.28Å; I155-S158 PolarHBondContact O-OG 3.05Å; S158-L160 VanDerWaalsContact C-N 3.26Å; S158-L160 PolarHBondContact O-N 3.36Å; S158-Y161 PolarHBondContact O-N 3Å; S158-I162 VanDerWaalsContact O-CG1 3.31Å; S158-I162 WeakPolarHBondContact O-CG1 3.04Å; S158-I162 PolarHBondContact O-N 3.34Å
159P96.6Very high94.6Very high73 Ų7391.6 Ų91.647%0.47447%0.468SS..Hα-helixtrans-63.7-34.1179.3-20.735.4000112.1F157 I163F157-P159 VanDerWaalsContact C-N 3.35Å; P159-I163 WeakPolarHBondContact O-CB 3.41Å; P159-I163 WeakPolarHBondContact O-CD1 3.27Å; P159-I163 WeakPolarHBondContact O-CG1 3.46Å; P159-I163 PolarHBondContact O-N 3.3Å; P159-I163 VanDerWaalsContact O-N 3.13Å
160L95.9Very high94.5Very high78 Ų7888.8 Ų88.841%0.40845%0.451SS..Hα-helixtrans-72.3-36.1179.2-62.2178000112.2F157 S158 G164 R165 M166F157-L160 HydrophobicContact CD1-CD1 3.95Å; F157-L160 WeakPolarHBondContact O-CB 3.14Å; F157-L160 PolarHBondContact O-N 2.83Å; S158-L160 VanDerWaalsContact C-N 3.26Å; S158-L160 PolarHBondContact O-N 3.36Å; L160-G164 PolarHBondContact O-N 3.41Å; L160-R165 PolarHBondContact O-N 2.93Å; L160-M166 HydrophobicContact CB-CB 4.02Å; L160-M166 HydrophobicContact CD1-SD 4.35Å; L160-M166 PolarHBondContact O-N 2.84Å
161Y93.9Very high94.7Very high49 Ų4991.4 Ų91.419%0.19247%0.467CS..Hα-helixtrans-67.2-44.1174.3-63.2-53.7000111.6F157 S158 I163 G164 M166 E168F157-Y161 HydrophobicContact CB-CD2 4.2Å; F157-Y161 HydrophobicContact CB-CE2 3.6Å; F157-Y161 VanDerWaalsContact O-CD2 3.24Å; F157-Y161 WeakPolarHBondContact O-CD2 3Å; F157-Y161 PolarHBondContact O-N 2.97Å; S158-Y161 PolarHBondContact O-N 3Å; Y161-I163 PolarHBondContact O-N 3.1Å; Y161-G164 WeakPolarHBondContact O-CA 3.39Å; Y161-G164 PolarHBondContact O-N 3.31Å; Y161-M166 HydrophobicContact CD1-CB 3.87Å; Y161-M166 HydrophobicContact CD1-CG 4.11Å; Y161-M166 WeakPolarHBondContact CD1-O 3.38Å; Y161-M166 HydrophobicContact CE1-CB 3.9Å; Y161-M166 HydrophobicContact CE1-CE 4.36Å; Y161-M166 HydrophobicContact CE1-CG 3.6Å; Y161-M166 HydrophobicContact CE1-SD 3.85Å; Y161-E168 HydrophobicContact CD1-CG 4.04Å; Y161-E168 HydrophobicContact CE1-CG 3.79Å
162I95.4Very high94.7Very high143 Ų14386.8 Ų86.873%0.73344%0.444SS*.Hα-helixtrans-64.2-40.5179.8-65.6164.7000111.5S158 G164S158-I162 VanDerWaalsContact O-CG1 3.31Å; S158-I162 WeakPolarHBondContact O-CG1 3.04Å; S158-I162 PolarHBondContact O-N 3.34Å; I162-G164 PolarHBondContact O-N 3.23Å
163I96.2Very high94.7Very high123 Ų12384.7 Ų84.763%0.63144%0.44SS*.THydrogen-bonded Turntrans-72.9-9.6176.7-61.5165.2000111.4P159 Y161 R165P159-I163 WeakPolarHBondContact O-CB 3.41Å; P159-I163 WeakPolarHBondContact O-CD1 3.27Å; P159-I163 WeakPolarHBondContact O-CG1 3.46Å; P159-I163 PolarHBondContact O-N 3.3Å; P159-I163 VanDerWaalsContact O-N 3.13Å; Y161-I163 PolarHBondContact O-N 3.1Å; I163-R165 VanDerWaalsContact C-N 3.29Å; I163-R165 HydrophobicContact CG2-CG 3.96Å; I163-R165 PolarHBondContact O-N 3.33Å
164G93.9Very high94.9Very high60 Ų6083.9 Ų83.962%0.61943%0.433SS*.THydrogen-bonded Turntrans74.216.7179.700000114.2L160 Y161 I162 M166L160-G164 PolarHBondContact O-N 3.41Å; Y161-G164 WeakPolarHBondContact O-CA 3.39Å; Y161-G164 PolarHBondContact O-N 3.31Å; I162-G164 PolarHBondContact O-N 3.23Å; G164-M166 VanDerWaalsContact C-N 3.34Å
165R94.1Very high95Very high214 Ų21485.8 Ų85.881%0.80844%0.44SS*.SBendtrans-81.6-16.1177.5-77.2-79.3-173.7123.11.4112.9L160 I163L160-R165 PolarHBondContact O-N 2.93Å; I163-R165 VanDerWaalsContact C-N 3.29Å; I163-R165 HydrophobicContact CG2-CG 3.96Å; I163-R165 PolarHBondContact O-N 3.33Å
166M93.1Very high95.1Very high77 Ų7780.9 Ų80.938%0.37942%0.415SS..SBendtrans-134.9144-179.3-163.6174.1177.400108.8F157 L160 Y161 G164F157-M166 HydrophobicContact CB-SD 4.24Å; F157-M166 HydrophobicContact CG-SD 4.37Å; L160-M166 HydrophobicContact CB-CB 4.02Å; L160-M166 HydrophobicContact CD1-SD 4.35Å; L160-M166 PolarHBondContact O-N 2.84Å; Y161-M166 HydrophobicContact CD1-CB 3.87Å; Y161-M166 HydrophobicContact CD1-CG 4.11Å; Y161-M166 WeakPolarHBondContact CD1-O 3.38Å; Y161-M166 HydrophobicContact CE1-CB 3.9Å; Y161-M166 HydrophobicContact CE1-CE 4.36Å; Y161-M166 HydrophobicContact CE1-CG 3.6Å; Y161-M166 HydrophobicContact CE1-SD 3.85Å; G164-M166 VanDerWaalsContact C-N 3.34Å
167K92.3Very high95Very high148 Ų14876.1 Ų76.164%0.64339%0.392SS*.  trans-112.4149.8175-66.6179.8-178.4176.10109.5E169K167-E169 HydrophobicContact CB-CG 4.14Å; K167-E169 PolarHBondContact O-N 3.46Å
168E91.6Very high94.9Very high99 Ų9975.4 Ų75.446%0.46340%0.396SS..SBendtrans-79.466.8174.9-65.1-173.117700110.9P108 D109 Y161P108-E168 WeakPolarHBondContact CA-O 3.39Å; D109-E168 PolarHBondContact N-O 2.85Å; Y161-E168 HydrophobicContact CD1-CG 4.04Å; Y161-E168 HydrophobicContact CE1-CG 3.79Å
169E93.1Very high94.7Very high79 Ų7976.6 Ų76.637%0.36940%0.404SS..EExtended strand (participates in β ladder)trans-126.8147178.365.8-166.9167.600111.4L107 K167L107-E169 WeakPolarHBondContact O-CA 3.29Å; K167-E169 HydrophobicContact CB-CG 4.14Å; K167-E169 PolarHBondContact O-N 3.46Å
170L93.7Very high94.5Very high23 Ų2374.6 Ų74.612%0.1239%0.388CS..EExtended strand (participates in β ladder)trans-110.5123.3176.6178.976.9000108.8W106 L107 M142 P143W106-L170 WeakPolarHBondContact CA-O 3.06Å; L107-L170 PolarHBondContact N-O 2.9Å; L107-L170 PolarHBondContact O-N 3.37Å; M142-L170 HydrophobicContact CE-CB 4.2Å; M142-L170 HydrophobicContact CE-CD2 3.82Å; M142-L170 HydrophobicContact CG-CD2 3.75Å; P143-L170 HydrophobicContact CG-CD1 4.32Å; P143-L170 HydrophobicContact CG-CD2 3.6Å
171L95.8Very high94.3Very high86 Ų8676.1 Ų76.145%0.4539%0.393SS..EExtended strand (participates in β ladder)trans-81118167.617461.4000109.7N104 W106N104-L171 HydrophobicContact CB-CD1 3.77Å; W106-L171 HydrophobicContact CD2-CD1 3.98Å; W106-L171 HydrophobicContact CE3-CD1 4.42Å; W106-L171 HydrophobicContact CG-CD1 4.44Å; W106-L171 HydrophobicContact CH2-CD1 4.47Å; W106-L171 HydrophobicContact CZ2-CD1 4Å
172L96.4Very high94Very high30 Ų3074.1 Ų74.116%0.15739%0.386CS..EExtended strand (participates in β ladder)trans-107.2110.7171.8-174.965.9000109.6L105 L107 F140 I174L105-L172 PolarHBondContact N-O 3.07Å; L105-L172 PolarHBondContact O-N 3.19Å; L107-L172 HydrophobicContact CD1-CD2 4.33Å; F140-L172 HydrophobicContact CB-CD2 4Å; F140-L172 HydrophobicContact CD2-CD2 3.27Å; F140-L172 HydrophobicContact CE2-CD2 4Å; F140-L172 HydrophobicContact CG-CD2 3.93Å; L172-I174 HydrophobicContact CD2-CD1 3.97Å; L172-I174 HydrophobicContact CD2-CG1 4.1Å; L172-I174 HydrophobicContact CG-CD1 4.27Å; L172-I174 HydrophobicContact CG-CG1 3.9Å
173S96.7Very high93.6Very high69 Ų6972 Ų7248%0.48338%0.376SS..EExtended strand (participates in β ladder)trans-94.9110.4175.3-62.60000110.1N104N104-S173 PolarHBondContact OD1-OG 2.96Å
174I97Very high93.1Very high13 Ų1370.3 Ų70.37%0.06737%0.371CS..EExtended strand (participates in β ladder)trans-105.2116.7-177.7-54.1165000108.4I102 L103 I121 K138 F140 L172 M176I102-I174 WeakPolarHBondContact CA-O 3.45Å; L103-I174 HydrophobicContact CB-CB 4.49Å; L103-I174 PolarHBondContact N-O 2.89Å; L103-I174 PolarHBondContact O-N 3.37Å; I121-I174 HydrophobicContact CG2-CD1 3.82Å; I121-I174 HydrophobicContact CG2-CG2 4.1Å; K138-I174 HydrophobicContact CB-CG2 3.94Å; F140-I174 HydrophobicContact CB-CD1 3.57Å; F140-I174 HydrophobicContact CB-CG1 4.06Å; F140-I174 HydrophobicContact CD1-CD1 3.79Å; F140-I174 HydrophobicContact CD2-CD1 4.21Å; F140-I174 HydrophobicContact CG-CD1 3.58Å; L172-I174 HydrophobicContact CD2-CD1 3.97Å; L172-I174 HydrophobicContact CD2-CG1 4.1Å; L172-I174 HydrophobicContact CG-CD1 4.27Å; L172-I174 HydrophobicContact CG-CG1 3.9Å; I174-M176 HydrophobicContact CG2-SD 3.87Å; I174-M176 PolarHBondContact O-N 2.91Å
175E96.8Very high92.8Very high91 Ų9173.3 Ų73.343%0.42538%0.378SS..EExtended strand (participates in β ladder)trans-79.9103175-167.9-178.8148.100110.4M100 K138 S178M100-E175 HydrophobicContact CG-CG 4.14Å; K138-E175 WeakPolarHBondContact CE-O 3.49Å; E175-S178 WeakPolarHBondContact OE1-CA 3.33Å; E175-S178 WeakPolarHBondContact OE1-CB 3.35Å; E175-S178 PolarHBondContact OE1-N 3.05Å
176M96.7Very high92.5Very high2 Ų267.7 Ų67.71%0.0136%0.36CS..EExtended strand (participates in β ladder)trans-71.3-38.6178.4-60.4-54.3-72.700111.3L101 L103 I121 L123 F136 K138 I174L101-M176 HydrophobicContact CB-CB 4.04Å; L101-M176 WeakPolarHBondContact O-CB 3.27Å; L101-M176 PolarHBondContact O-N 3.26Å; L103-M176 HydrophobicContact CB-CG 4.19Å; I121-M176 HydrophobicContact CG2-CE 4.07Å; I121-M176 HydrophobicContact CG2-SD 3.74Å; I121-M176 WeakPolarHBondContact O-CE 3.41Å; L123-M176 HydrophobicContact CB-CE 3.53Å; L123-M176 HydrophobicContact CB-CG 4.24Å; L123-M176 HydrophobicContact CD2-CB 3.85Å; L123-M176 HydrophobicContact CD2-CG 3.97Å; F136-M176 HydrophobicContact CB-CB 4.22Å; F136-M176 HydrophobicContact CB-CE 3.93Å; F136-M176 WeakPolarHBondContact O-CE 3.49Å; K138-M176 HydrophobicContact CB-CE 4.37Å; K138-M176 HydrophobicContact CB-SD 3.99Å; K138-M176 WeakPolarHBondContact CE-O 3.37Å; K138-M176 HydrophobicContact CG-CE 4.27Å; K138-M176 HydrophobicContact CG-SD 3.91Å; I174-M176 HydrophobicContact CG2-SD 3.87Å; I174-M176 PolarHBondContact O-N 2.91Å
177S95.2Very high92.3Very high19 Ų1966.2 Ų66.213%0.13336%0.357CS..EExtended strand (participates in β ladder)trans-153.2144.4174.3-172.30000110.9M100 L101M100-S177 CarbonylContact C-O 3.6Å; M100-S177 VanDerWaalsContact CA-O 3.31Å; M100-S177 WeakPolarHBondContact CA-O 3.49Å; L101-S177 PolarHBondContact N-O 3.41Å; L101-S177 PolarHBondContact O-N 3.38Å
178S92.9Very high92.3Very high62 Ų6259.2 Ų59.243%0.43433%0.326SS..EExtended strand (participates in β ladder)trans-85.1-37.3179.356.40000113.4E175E175-S178 WeakPolarHBondContact OE1-CA 3.33Å; E175-S178 WeakPolarHBondContact OE1-CB 3.35Å; E175-S178 PolarHBondContact OE1-N 3.05Å
179S91.2Very high92.3Very high71 Ų7155.3 Ų55.350%0.49731%0.308SS..EExtended strand (participates in β ladder)trans-153.160.7-17264.60000111.6
180F92.4Very high92.4Very high31 Ų3155.2 Ų55.214%0.13631%0.308CS..EExtended strand (participates in β ladder)trans-79.5130.4174.1-174.5-116.5000110.8Y99 L101 L125 Q134 F136 F182Y99-F180 PolarHBondContact N-O 3.18Å; Y99-F180 PolarHBondContact O-N 3.37Å; L101-F180 HydrophobicContact CD1-CB 4.28Å; L101-F180 HydrophobicContact CD1-CD1 4.34Å; L125-F180 HydrophobicContact CD1-CD1 4.16Å; L125-F180 HydrophobicContact CD1-CE1 3.75Å; L125-F180 HydrophobicContact CD1-CZ 4.48Å; Q134-F180 HydrophobicContact CB-CE2 4.02Å; Q134-F180 HydrophobicContact CB-CZ 3.78Å; Q134-F180 HydrophobicContact CG-CE2 3.81Å; Q134-F180 HydrophobicContact CG-CZ 4.08Å; F136-F180 HydrophobicContact CE1-CD2 4.43Å; F136-F180 HydrophobicContact CE2-CD1 4.5Å; F136-F180 HydrophobicContact CE2-CD2 4.43Å; F136-F180 HydrophobicContact CE2-CG 4.34Å; F136-F180 HydrophobicContact CZ-CB 4.1Å; F136-F180 HydrophobicContact CZ-CD1 4.32Å; F136-F180 AromaticContact CZ-CD2 3.57Å; F136-F180 HydrophobicContact CZ-CD2 3.57Å; F136-F180 AromaticContact CZ-CE2 4Å; F136-F180 HydrophobicContact CZ-CE2 4Å; F136-F180 AromaticContact CZ-CG 3.73Å; F136-F180 HydrophobicContact CZ-CG 3.73Å; F180-F182 AromaticContact CD1-CD1 3.98Å; F180-F182 HydrophobicContact CD1-CD1 3.98Å; F180-F182 AromaticContact CD1-CE1 3.64Å; F180-F182 HydrophobicContact CD1-CE1 3.64Å; F180-F182 HydrophobicContact CD1-CE2 4.41Å; F180-F182 AromaticContact CD1-CZ 3.87Å; F180-F182 HydrophobicContact CD1-CZ 3.87Å; F180-F182 AromaticContact CE1-CD1 3.55Å; F180-F182 HydrophobicContact CE1-CD1 3.55Å; F180-F182 AromaticContact CE1-CE1 3.46Å; F180-F182 HydrophobicContact CE1-CE1 3.46Å; F180-F182 VanDerWaalsContact CE1-CE1 3.46Å; F180-F182 HydrophobicContact CE1-CG 4.36Å; F180-F182 HydrophobicContact CE1-CZ 4.18Å
181Q91.6Very high92.4Very high109 Ų10954.2 Ų54.251%0.50930%0.303SS..EExtended strand (participates in β ladder)trans-108.3130177.3-66.6-177.50.300109.4P98P98-Q181 HydrophobicContact CB-CG 4.27Å
182F87.4Confident92.5Very high7 Ų754.5 Ų54.53%0.03130%0.298CS..  trans-82.8130.9176.3-59-78.7000110.4L93 K96 Y99 L101 L125 F180 V188L93-F182 HydrophobicContact CB-CD2 4.17Å; L93-F182 HydrophobicContact CB-CE2 4.2Å; L93-F182 HydrophobicContact CD1-CD2 4.15Å; L93-F182 HydrophobicContact CD1-CE1 4.01Å; L93-F182 HydrophobicContact CD1-CE2 3.44Å; L93-F182 VanDerWaalsContact CD1-CE2 3.44Å; L93-F182 HydrophobicContact CD1-CZ 3.35Å; L93-F182 HydrophobicContact CG-CE2 4.32Å; K96-F182 PolarHBondContact N-O 3.44Å; Y99-F182 AromaticContact CD2-CD2 3.43Å; Y99-F182 HydrophobicContact CD2-CD2 3.43Å; Y99-F182 VanDerWaalsContact CD2-CD2 3.43Å; Y99-F182 AromaticContact CD2-CE2 3.3Å; Y99-F182 HydrophobicContact CD2-CE2 3.3Å; Y99-F182 AromaticContact CE2-CD2 3.75Å; Y99-F182 HydrophobicContact CE2-CD2 3.75Å; Y99-F182 AromaticContact CE2-CE2 3.92Å; Y99-F182 HydrophobicContact CE2-CE2 3.92Å; Y99-F182 HydrophobicContact CG-CD2 4.28Å; Y99-F182 AromaticContact CG-CE2 3.69Å; Y99-F182 HydrophobicContact CG-CE2 3.69Å; L101-F182 HydrophobicContact CD2-CZ 4.46Å; L125-F182 HydrophobicContact CD1-CE1 4.09Å; F180-F182 AromaticContact CD1-CD1 3.98Å; F180-F182 HydrophobicContact CD1-CD1 3.98Å; F180-F182 AromaticContact CD1-CE1 3.64Å; F180-F182 HydrophobicContact CD1-CE1 3.64Å; F180-F182 HydrophobicContact CD1-CE2 4.41Å; F180-F182 AromaticContact CD1-CZ 3.87Å; F180-F182 HydrophobicContact CD1-CZ 3.87Å; F180-F182 AromaticContact CE1-CD1 3.55Å; F180-F182 HydrophobicContact CE1-CD1 3.55Å; F180-F182 AromaticContact CE1-CE1 3.46Å; F180-F182 HydrophobicContact CE1-CE1 3.46Å; F180-F182 VanDerWaalsContact CE1-CE1 3.46Å; F180-F182 HydrophobicContact CE1-CG 4.36Å; F180-F182 HydrophobicContact CE1-CZ 4.18Å; F182-V188 HydrophobicContact CD1-CB 4.05Å; F182-V188 HydrophobicContact CD1-CG2 3.47Å; F182-V188 VanDerWaalsContact CD1-CG2 3.47Å; F182-V188 HydrophobicContact CE1-CB 4.03Å; F182-V188 HydrophobicContact CE1-CG2 3.6Å
183D87.6Confident92.5Very high98 Ų9853.1 Ų53.152%0.52429%0.29SS..  trans-76.3145.9176.6-75-40.5000111.8T185 Q186D183-T185 VanDerWaalsContact C-N 3.27Å; D183-T185 PolarHBondContact O-N 2.94Å; D183-Q186 CarbonylContact O-C 3.55Å
184V86.8Confident92.6Very high89 Ų8951.1 Ų51.154%0.53927%0.274SS..SBendtrans-67.6-31.9175.8-178.70000111.1P95 K96P95-V184 HydrophobicContact CB-CB 4.46Å; P95-V184 HydrophobicContact CB-CG2 3.7Å; P95-V184 HydrophobicContact CG-CG2 3.97Å; K96-V184 HydrophobicContact CD-CG2 4.3Å; K96-V184 HydrophobicContact CG-CG2 4.09Å
185T87.6Confident92.5Very high123 Ų12350.5 Ų50.576%0.75527%0.271SS*.SBendtrans-76.6-26.4-177.452.40000112.8D183D183-T185 VanDerWaalsContact C-N 3.27Å; D183-T185 PolarHBondContact O-N 2.94Å
186Q87.1Confident92.4Very high95 Ų9548.6 Ų48.644%0.44426%0.262SS..SBendtrans-131.278.3179.6-65-173.72.200110.2I133 D183I133-Q186 HydrophobicContact CD1-CB 4.05Å; I133-Q186 WeakPolarHBondContact CD1-O 3.2Å; I133-Q186 HydrophobicContact CG1-CB 4.21Å; D183-Q186 CarbonylContact O-C 3.55Å
187P89.1Confident92.2Very high46 Ų4648.9 Ų48.930%0.29926%0.264SS..  trans-671421759.6-3.6000110.5G127 F189G127-P187 WeakPolarHBondContact CA-O 3.23Å; P187-F189 HydrophobicContact CB-CE2 3.86Å; P187-F189 HydrophobicContact CB-CZ 4.38Å; P187-F189 HydrophobicContact CG-CE2 3.76Å; P187-F189 HydrophobicContact CG-CZ 4.25Å; P187-F189 VanDerWaalsContact O-CD2 3.23Å; P187-F189 WeakPolarHBondContact O-CD2 3.27Å
188V91.3Very high91.9Very high2 Ų250.8 Ų50.81%0.01227%0.27CS..  trans-82.3125.6175.1174.80000109.4V85 S91 L125 I133 F182V85-V188 HydrophobicContact CB-CG1 4.17Å; V85-V188 HydrophobicContact CG1-CG1 4.34Å; V85-V188 HydrophobicContact CG2-CG1 4.02Å; S91-V188 WeakPolarHBondContact CB-O 3.35Å; S91-V188 PolarHBondContact OG-O 3.42Å; L125-V188 HydrophobicContact CB-CG1 4.14Å; L125-V188 HydrophobicContact CB-CG2 4.12Å; L125-V188 HydrophobicContact CD2-CG1 4.23Å; I133-V188 HydrophobicContact CD1-CG2 3.62Å; F182-V188 HydrophobicContact CD1-CB 4.05Å; F182-V188 HydrophobicContact CD1-CG2 3.47Å; F182-V188 VanDerWaalsContact CD1-CG2 3.47Å; F182-V188 HydrophobicContact CE1-CB 4.03Å; F182-V188 HydrophobicContact CE1-CG2 3.6Å
189F92.2Very high91.7Very high17 Ų1754.9 Ų54.98%0.07528%0.276CS..  trans-108.2-36178.5-75.2-91.5000111.7V85 S86 G89 Y126 R128 P187V85-F189 PolarHBondContact N-O 2.89Å; S86-F189 VanDerWaalsContact CB-CD1 3.48Å; S86-F189 PolarHBondContact N-O 3.46Å; S86-F189 VanDerWaalsContact N-O 3.07Å; S86-F189 PolarHBondContact OG-O 2.89Å; G89-F189 WeakPolarHBondContact O-CE1 3.39Å; Y126-F189 PolarHBondContact O-N 3.46Å; R128-F189 HydrophobicContact CB-CD2 3.89Å; R128-F189 HydrophobicContact CB-CE2 3.7Å; R128-F189 HydrophobicContact CB-CZ 4.38Å; R128-F189 HydrophobicContact CG-CE2 4.36Å; P187-F189 HydrophobicContact CB-CE2 3.86Å; P187-F189 HydrophobicContact CB-CZ 4.38Å; P187-F189 HydrophobicContact CG-CE2 3.76Å; P187-F189 HydrophobicContact CG-CZ 4.25Å; P187-F189 VanDerWaalsContact O-CD2 3.23Å; P187-F189 WeakPolarHBondContact O-CD2 3.27Å
190E94Very high91.8Very high77 Ų7751.6 Ų51.636%0.3625%0.253SS..EExtended strand (participates in β ladder)trans-140.4162.8-173.4-65.1178.7178.800109.8F83 Y126 H130F83-E190 CarbonylContact O-C 3.55Å; F83-E190 WeakPolarHBondContact O-CA 3.43Å; Y126-E190 PolarHBondContact N-O 2.96Å; Y126-E190 PolarHBondContact O-N 3.35Å; H130-E190 IonicContact CE1-OE1 3.2Å; H130-E190 IonicContact CE1-OE2 2.78Å; H130-E190 PolarHBondContact CE1-OE2 3.27Å; H130-E190 IonicContact ND1-OE2 3.06Å; H130-E190 PolarHBondContact ND1-OE2 2.96Å
191G95.5Very high91.8Very high2 Ų254.5 Ų54.52%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-149.2165.5167.400000111.5N82 F83 E124N82-G191 WeakPolarHBondContact CA-O 2.98Å; F83-G191 VanDerWaalsContact CD1-O 3.31Å; F83-G191 WeakPolarHBondContact CD1-O 3.37Å; F83-G191 WeakPolarHBondContact CE1-O 3.38Å; F83-G191 PolarHBondContact N-O 3.32Å; F83-G191 PolarHBondContact O-N 3.46Å; E124-G191 CarbonylContact O-C 3.5Å; E124-G191 WeakPolarHBondContact O-CA 3.4Å
192R96.7Very high91.9Very high91 Ų9152.2 Ų52.234%0.34326%0.256SS..EExtended strand (participates in β ladder)trans-129.9137.6177.1179.3-176.1-66.5-175.44.3109.3A81 N82 E124 Y126 I194A81-R192 CarbonylContact O-C 3.57Å; A81-R192 VanDerWaalsContact O-CA 3.3Å; A81-R192 WeakPolarHBondContact O-CA 3.13Å; N82-R192 WeakPolarHBondContact OD1-CG 3.3Å; N82-R192 PolarHBondContact OD1-NE 2.89Å; N82-R192 VanDerWaalsContact OD1-NE 3.1Å; E124-R192 HydrophobicContact CB-CB 4.31Å; E124-R192 PolarHBondContact N-O 3Å; E124-R192 PolarHBondContact O-N 3.11Å; Y126-R192 HydrophobicContact CE2-CB 3.8Å; R192-I194 HydrophobicContact CG-CD1 4.45Å; R192-I194 HydrophobicContact CG-CG1 3.91Å
193I97.4Very high92.2Very high1 Ų155 Ų551%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-112134.2169-73.4159.3000108.4L58 L60 T80 A81 F83 L103 I121 T122 L123 L207L58-I193 HydrophobicContact CD1-CD1 3.17Å; L58-I193 HydrophobicContact CD1-CG1 4.44Å; L58-I193 HydrophobicContact CD2-CD1 3.81Å; L58-I193 HydrophobicContact CG-CD1 4.1Å; L60-I193 HydrophobicContact CD2-CG2 4.33Å; T80-I193 CarbonylContact C-O 3.43Å; T80-I193 WeakPolarHBondContact CA-O 3.21Å; A81-I193 PolarHBondContact N-O 2.98Å; A81-I193 PolarHBondContact O-N 3.13Å; F83-I193 HydrophobicContact CD1-CD1 4.26Å; F83-I193 HydrophobicContact CE1-CD1 3.83Å; F83-I193 HydrophobicContact CE1-CG1 3.95Å; L103-I193 HydrophobicContact CD1-CD1 3.8Å; L103-I193 HydrophobicContact CD2-CD1 4.29Å; L103-I193 HydrophobicContact CD2-CG2 3.87Å; I121-I193 HydrophobicContact CD1-CG2 4.2Å; I121-I193 HydrophobicContact CG1-CG2 4.07Å; T122-I193 CarbonylContact O-C 3.55Å; T122-I193 VanDerWaalsContact O-CA 3.31Å; T122-I193 WeakPolarHBondContact O-CA 3.34Å; L123-I193 HydrophobicContact CB-CG1 4.43Å; L123-I193 HydrophobicContact CD1-CD1 3.94Å; L123-I193 HydrophobicContact CD1-CG1 3.53Å; I193-L207 HydrophobicContact CD1-CB 4.17Å; I193-L207 HydrophobicContact CD1-CD1 4.35Å; I193-L207 HydrophobicContact CD1-CD2 4.42Å
194I97.3Very high92.6Very high27 Ų2752.4 Ų52.414%0.13827%0.269CS..EExtended strand (participates in β ladder)trans-125.1117-179.9-51.6175.9000106.9F78 T80 T122 R192 E196F78-I194 HydrophobicContact CB-CG2 3.96Å; T80-I194 HydrophobicContact CG2-CB 4.24Å; T80-I194 HydrophobicContact CG2-CG1 3.86Å; T80-I194 HydrophobicContact CG2-CG2 4.02Å; T122-I194 PolarHBondContact N-O 2.93Å; T122-I194 PolarHBondContact O-N 3.48Å; R192-I194 HydrophobicContact CG-CD1 4.45Å; R192-I194 HydrophobicContact CG-CG1 3.91Å; I194-E196 HydrophobicContact CG2-CG 4.2Å; I194-E196 PolarHBondContact O-N 3.35Å
195L96.3Very high93.1Very high0 Ų048.5 Ų48.50%025%0.245CC..EExtended strand (participates in β ladder)trans-84.8104.3169175.360.3000108F78 P79 I121 F140 S197 W202F78-L195 WeakPolarHBondContact CB-O 3Å; P79-L195 HydrophobicContact CB-CB 4.24Å; P79-L195 WeakPolarHBondContact CD-O 3.43Å; P79-L195 HydrophobicContact CG-CB 4.48Å; P79-L195 HydrophobicContact CG-CD2 4.29Å; P79-L195 PolarHBondContact O-N 2.79Å; I121-L195 HydrophobicContact CD1-CD1 4.21Å; F140-L195 HydrophobicContact CE1-CD1 3.47Å; F140-L195 VanDerWaalsContact CE1-CD1 3.47Å; F140-L195 HydrophobicContact CZ-CD1 3.4Å; L195-S197 PolarHBondContact O-N 2.86Å; L195-W202 HydrophobicContact CD2-CE3 3.95Å; L195-W202 HydrophobicContact CD2-CZ3 4.17Å
196E94.4Very high93.5Very high52 Ų5244 Ų4424%0.24322%0.216CC..  trans-77.748.1-177.2-57.1-176.7-176.300111.8I120 T122 R137 I194I120-E196 HydrophobicContact CB-CB 4.17Å; I120-E196 HydrophobicContact CB-CG 4.44Å; I120-E196 WeakPolarHBondContact CB-OE2 3.49Å; I120-E196 HydrophobicContact CG2-CG 4.45Å; I120-E196 WeakPolarHBondContact O-CA 3.45Å; I120-E196 VanDerWaalsContact O-CB 3.31Å; I120-E196 WeakPolarHBondContact O-CB 3.41Å; I120-E196 PolarHBondContact O-N 3.47Å; T122-E196 PolarHBondContact OG1-OE1 3.28Å; R137-E196 IonicContact CZ-OE1 3.52Å; R137-E196 IonicContact CZ-OE2 3.73Å; R137-E196 IonicContact NE-OE1 3.17Å; R137-E196 PolarHBondContact NE-OE1 2.94Å; R137-E196 IonicContact NE-OE2 3.97Å; R137-E196 VanDerWaalsContact NH2-CD 3.34Å; R137-E196 IonicContact NH2-OE1 3.13Å; R137-E196 PolarHBondContact NH2-OE1 3.31Å; R137-E196 VanDerWaalsContact NH2-OE1 3.13Å; R137-E196 IonicContact NH2-OE2 2.7Å; R137-E196 PolarHBondContact NH2-OE2 3.41Å; I194-E196 HydrophobicContact CG2-CG 4.2Å; I194-E196 PolarHBondContact O-N 3.35Å
197S91.6Very high94Very high7 Ų739.5 Ų39.55%0.04920%0.195CC..  trans-154.3137.3174.6-178.10000110.7P79 L195 R199 Y200P79-S197 WeakPolarHBondContact CD-O 3.35Å; L195-S197 PolarHBondContact O-N 2.86Å; S197-R199 PolarHBondContact OG-N 3.02Å; S197-R199 VanDerWaalsContact OG-N 3.17Å; S197-Y200 WeakPolarHBondContact OG-CD2 3.27Å
198K89.9Confident94.4Very high59 Ų5939.6 Ų39.626%0.25719%0.19SC..SBendtrans-94-1.9172.3-59177.9172.8-168.30112.7E71 V75 C76 F78E71-K198 IonicContact OE1-NZ 2.65Å; E71-K198 PolarHBondContact OE1-NZ 3.21Å; E71-K198 IonicContact OE2-NZ 2.86Å; E71-K198 PolarHBondContact OE2-NZ 2.88Å; V75-K198 HydrophobicContact CG1-CB 4.2Å; V75-K198 HydrophobicContact CG1-CD 4.48Å; V75-K198 HydrophobicContact CG1-CG 4.1Å; V75-K198 WeakPolarHBondContact O-CD 3.46Å; V75-K198 PolarHBondContact O-NZ 3.44Å; C76-K198 VanDerWaalsContact C-NZ 3.29Å; C76-K198 VanDerWaalsContact O-CE 3.31Å; C76-K198 WeakPolarHBondContact O-CE 3.44Å; C76-K198 PolarHBondContact O-NZ 3.36Å; F78-K198 HydrophobicContact CD1-CG 4.07Å; F78-K198 HydrophobicContact CE1-CG 4.19Å
199R89.2Confident94.6Very high148 Ų14839.6 Ų39.656%0.55819%0.19SC*.SBendtrans-96-21.8-170.6-64.1-174.8-71175.3-4.4113.9A116 S197A116-R199 HydrophobicContact CB-CB 3.98Å; A116-R199 PolarHBondContact O-NE 3.16Å; A116-R199 PolarHBondContact O-NH1 2.9Å; A116-R199 PolarHBondContact O-NH2 2.8Å; S197-R199 PolarHBondContact OG-N 3.02Å; S197-R199 VanDerWaalsContact OG-N 3.17Å
200Y92.5Very high94.7Very high3 Ų341.5 Ų41.51%0.01220%0.199CC..  trans-84.1139.2-179.5-77.4-79.8000111.1L107 N113 A116 G117 S119 F140 S197 W202L107-Y200 HydrophobicContact CD1-CD1 4.21Å; L107-Y200 HydrophobicContact CD1-CE1 4.36Å; L107-Y200 HydrophobicContact CD2-CD1 4.37Å; N113-Y200 HydrophobicContact CB-CD1 4.35Å; N113-Y200 WeakPolarHBondContact O-CE1 3.46Å; N113-Y200 WeakPolarHBondContact OD1-CA 3.28Å; A116-Y200 HydrophobicContact CB-CD1 3.85Å; A116-Y200 HydrophobicContact CB-CD2 3.95Å; A116-Y200 HydrophobicContact CB-CE1 3.54Å; A116-Y200 HydrophobicContact CB-CE2 3.61Å; A116-Y200 HydrophobicContact CB-CG 4.04Å; A116-Y200 VanDerWaalsContact CB-CZ 3.42Å; G117-Y200 PolarHBondContact O-OH 3.42Å; S119-Y200 WeakPolarHBondContact OG-CE2 3.43Å; F140-Y200 HydrophobicContact CE2-CD2 4.41Å; F140-Y200 HydrophobicContact CE2-CE1 4.22Å; F140-Y200 HydrophobicContact CE2-CE2 4.14Å; F140-Y200 HydrophobicContact CZ-CD2 4.17Å; F140-Y200 HydrophobicContact CZ-CE2 4.18Å; S197-Y200 WeakPolarHBondContact OG-CD2 3.27Å; Y200-W202 WeakPolarHBondContact O-CZ3 3.3Å
201L92.5Very high94.7Very high92 Ų9238.3 Ų38.348%0.48219%0.185SC..  trans-101.4134.9165.5-59.2171.8000107.8L107 P108 H112 N113L107-L201 VanDerWaalsContact CD2-O 3.22Å; L107-L201 WeakPolarHBondContact CD2-O 3.36Å; P108-L201 WeakPolarHBondContact CD-O 3.29Å; H112-L201 HydrophobicContact CB-CD1 4.34Å; N113-L201 PolarHBondContact ND2-O 2.93Å; N113-L201 PolarHBondContact OD1-N 3.32Å; N113-L201 PolarHBondContact OD1-O 3.39Å
202W93.7Very high94.4Very high60 Ų6040.9 Ų40.923%0.22720%0.201CC..  trans-124.1150.6177.36292.6000109.8L60 F62 P79 L105 W106 L107 L195 Y200L60-W202 HydrophobicContact CB-CD2 4.45Å; L60-W202 HydrophobicContact CB-CZ2 3.63Å; L60-W202 HydrophobicContact CD1-CD2 3.96Å; L60-W202 HydrophobicContact CD1-CG 4.01Å; L60-W202 WeakPolarHBondContact O-CZ2 3.43Å; F62-W202 AromaticContact CD1-CH2 3.79Å; F62-W202 HydrophobicContact CD1-CH2 3.79Å; F62-W202 HydrophobicContact CD1-CZ2 4.23Å; F62-W202 AromaticContact CE1-CH2 4Å; F62-W202 HydrophobicContact CE1-CH2 4Å; F62-W202 HydrophobicContact CE1-CZ2 4.35Å; P79-W202 HydrophobicContact CB-CH2 3.49Å; P79-W202 VanDerWaalsContact CB-CH2 3.49Å; P79-W202 HydrophobicContact CB-CZ2 4.01Å; P79-W202 HydrophobicContact CB-CZ3 3.96Å; P79-W202 HydrophobicContact CG-CH2 3.37Å; P79-W202 HydrophobicContact CG-CZ2 4.36Å; P79-W202 HydrophobicContact CG-CZ3 3.54Å; L105-W202 HydrophobicContact CD1-CB 3.92Å; W106-W202 CarbonylContact O-C 3.58Å; W106-W202 WeakPolarHBondContact O-CA 3.37Å; L107-W202 HydrophobicContact CD2-CB 4.09Å; L195-W202 HydrophobicContact CD2-CE3 3.95Å; L195-W202 HydrophobicContact CD2-CZ3 4.17Å; Y200-W202 WeakPolarHBondContact O-CZ3 3.3Å
203S93.8Very high94Very high66 Ų6637.6 Ų37.646%0.46219%0.19SC..SBendtrans-93.4-45.7173.1-59.20000111W106 P108W106-S203 PolarHBondContact O-N 3.44Å; P108-S203 WeakPolarHBondContact CG-OG 3.49Å
204A95.8Very high93.6Very high44 Ų4441.8 Ų41.836%0.36422%0.219SC..EExtended strand (participates in β ladder)trans-152.3159.1-176.800000109.4W106W106-A204 HydrophobicContact CB-CB 4.2Å; W106-A204 HydrophobicContact CD2-CB 4.09Å; W106-A204 HydrophobicContact CE3-CB 3.72Å; W106-A204 HydrophobicContact CG-CB 4.33Å; W106-A204 HydrophobicContact CZ3-CB 4.35Å; W106-A204 PolarHBondContact N-O 3.27Å
205S96.6Very high93.2Very high6 Ų643.1 Ų43.14%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-143.6144.9170.737.50000110.3L58 N104L58-S205 WeakPolarHBondContact CB-OG 3.49Å; L58-S205 PolarHBondContact N-O 2.93Å; L58-S205 PolarHBondContact O-OG 2.92Å; N104-S205 CarbonylContact O-C 3.52Å; N104-S205 VanDerWaalsContact O-CA 3.3Å; N104-S205 WeakPolarHBondContact O-CA 3.31Å
206E97.2Very high92.9Very high29 Ų2948.4 Ų48.414%0.13626%0.263CS..EExtended strand (participates in β ladder)trans-143.1132-178.2176.5-161.6-159.400109E55 R56 L103 N104 W106E55-E206 WeakPolarHBondContact CB-OE1 3.34Å; E55-E206 WeakPolarHBondContact CG-OE1 3.31Å; R56-E206 CarbonylContact O-C 3.58Å; R56-E206 WeakPolarHBondContact O-CA 3.3Å; L103-E206 WeakPolarHBondContact CD1-O 3.46Å; N104-E206 HydrophobicContact CB-CB 4.19Å; N104-E206 PolarHBondContact N-O 3.29Å; N104-E206 PolarHBondContact ND2-OE2 3.44Å; N104-E206 PolarHBondContact O-N 2.91Å; W106-E206 HydrophobicContact CH2-CB 3.75Å; W106-E206 WeakPolarHBondContact CH2-OE2 3.29Å; W106-E206 HydrophobicContact CZ3-CB 3.54Å
207L97.2Very high92.7Very high1 Ų147.7 Ų47.71%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-93.4122.2166.5-178.667.8000109.4E55 R56 L58 F83 L123 I193 I209E55-L207 WeakPolarHBondContact CA-O 3.31Å; R56-L207 PolarHBondContact N-O 3.42Å; R56-L207 PolarHBondContact O-N 3.27Å; L58-L207 HydrophobicContact CD1-CB 4.03Å; L58-L207 HydrophobicContact CD2-CB 4.28Å; L58-L207 HydrophobicContact CG-CB 4.35Å; F83-L207 HydrophobicContact CD1-CD2 4.45Å; F83-L207 HydrophobicContact CD2-CD2 4.02Å; F83-L207 HydrophobicContact CE1-CD2 3.83Å; F83-L207 HydrophobicContact CE2-CD2 3.31Å; F83-L207 HydrophobicContact CZ-CD2 3.21Å; L123-L207 HydrophobicContact CD1-CD1 4.45Å; L123-L207 HydrophobicContact CD1-CD2 4.23Å; L123-L207 HydrophobicContact CD2-CD1 4.28Å; I193-L207 HydrophobicContact CD1-CB 4.17Å; I193-L207 HydrophobicContact CD1-CD1 4.35Å; I193-L207 HydrophobicContact CD1-CD2 4.42Å; L207-I209 HydrophobicContact CD2-CD1 4Å; L207-I209 HydrophobicContact CD2-CG1 4.09Å; L207-I209 HydrophobicContact CG-CD1 4.48Å; L207-I209 HydrophobicContact CG-CG1 4.02Å
208K96.8Very high92.8Very high47 Ų4750.2 Ų50.220%0.20427%0.273CS..EExtended strand (participates in β ladder)trans-110.7114.1173.4179.9173.4177.7172.60110.1E55 I102E55-K208 HydrophobicContact CG-CB 4.22Å; E55-K208 HydrophobicContact CG-CG 4.03Å; E55-K208 WeakPolarHBondContact OE1-CD 3.3Å; E55-K208 IonicContact OE1-NZ 3.95Å; I102-K208 HydrophobicContact CB-CB 4.37Å; I102-K208 PolarHBondContact N-O 2.97Å; I102-K208 PolarHBondContact O-N 3.37Å
209I95.7Very high92.9Very high3 Ų351.3 Ų51.32%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-103.8114.8174.3-55-177000107.2K53 L54 L93 Y99 L101 L207K53-I209 CarbonylContact C-O 3.54Å; K53-I209 WeakPolarHBondContact CA-O 3.37Å; L54-I209 HydrophobicContact CB-CB 4.28Å; L54-I209 HydrophobicContact CD2-CD1 4.37Å; L54-I209 PolarHBondContact N-O 3.39Å; L54-I209 PolarHBondContact O-N 3.45Å; L93-I209 HydrophobicContact CD1-CD1 3.97Å; L93-I209 HydrophobicContact CD1-CG2 4.14Å; L93-I209 HydrophobicContact CD2-CG2 3.85Å; Y99-I209 HydrophobicContact CD1-CG2 3.66Å; Y99-I209 HydrophobicContact CE1-CG2 4.42Å; Y99-I209 HydrophobicContact CG-CG2 4.08Å; L101-I209 HydrophobicContact CD2-CB 4.14Å; L101-I209 HydrophobicContact CD2-CD1 4.01Å; L101-I209 HydrophobicContact CD2-CG1 3.69Å; L101-I209 HydrophobicContact CD2-CG2 3.76Å; L207-I209 HydrophobicContact CD2-CD1 4Å; L207-I209 HydrophobicContact CD2-CG1 4.09Å; L207-I209 HydrophobicContact CG-CD1 4.48Å; L207-I209 HydrophobicContact CG-CG1 4.02Å
210Q94.9Very high93.1Very high57 Ų5744.4 Ų44.427%0.26625%0.254SS..EExtended strand (participates in β ladder)trans-127.7136.7-179.465-176.9-1.600110.8V52 Y99 M100V52-Q210 CarbonylContact O-C 3.58Å; V52-Q210 WeakPolarHBondContact O-CA 3.28Å; Y99-Q210 CarbonylContact C-O 3.55Å; Y99-Q210 WeakPolarHBondContact CA-O 3.48Å; M100-Q210 HydrophobicContact CB-CG 3.93Å; M100-Q210 PolarHBondContact N-O 2.8Å; M100-Q210 PolarHBondContact O-N 3.29Å; M100-Q210 PolarHBondContact SD-NE2 2.82Å
211T93.7Very high93.2Very high10 Ų1048 Ų486%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-79.8146.4176.4-168.90000111P50 V52 P98 L213P50-T211 HydrophobicContact CG-CG2 4.09Å; V52-T211 HydrophobicContact CB-CG2 4.19Å; V52-T211 HydrophobicContact CG1-CG2 3.98Å; V52-T211 HydrophobicContact CG2-CG2 4.31Å; V52-T211 PolarHBondContact O-N 2.86Å; P98-T211 VanDerWaalsContact O-CA 3.27Å; P98-T211 WeakPolarHBondContact O-CA 3.43Å; P98-T211 PolarHBondContact O-OG1 2.96Å; T211-L213 HydrophobicContact CG2-CD2 3.45Å; T211-L213 VanDerWaalsContact CG2-CD2 3.45Å; T211-L213 HydrophobicContact CG2-CG 3.73Å; T211-L213 PolarHBondContact O-N 3.38Å
212T89.3Confident93.2Very high56 Ų5650 Ų5034%0.34427%0.271SS..  trans-89.394.9168.958.40000108.8P98 M100P98-T212 WeakPolarHBondContact CB-OG1 3.29Å; P98-T212 VanDerWaalsContact CG-OG1 3.27Å; P98-T212 WeakPolarHBondContact CG-OG1 3.47Å; P98-T212 PolarHBondContact O-N 2.93Å; P98-T212 VanDerWaalsContact O-N 3.07Å; M100-T212 HydrophobicContact CE-CG2 4.36Å
213L89.2Confident93.3Very high22 Ų2253.8 Ų53.812%0.11529%0.286CS..  trans-72.1137.3175.2-60.5179000110.2P50 V52 T211 Q217 N218 Y221 Y222P50-L213 HydrophobicContact CG-CD2 4.15Å; V52-L213 HydrophobicContact CG1-CD1 4.25Å; V52-L213 HydrophobicContact CG2-CD1 4.13Å; T211-L213 HydrophobicContact CG2-CD2 3.45Å; T211-L213 VanDerWaalsContact CG2-CD2 3.45Å; T211-L213 HydrophobicContact CG2-CG 3.73Å; T211-L213 PolarHBondContact O-N 3.38Å; L213-Q217 HydrophobicContact CB-CB 4.39Å; L213-Q217 HydrophobicContact CD2-CB 4.18Å; L213-N218 HydrophobicContact CB-CB 4.47Å; L213-Y221 HydrophobicContact CD1-CD1 3.67Å; L213-Y221 HydrophobicContact CD1-CD2 4.49Å; L213-Y221 HydrophobicContact CD1-CG 3.63Å; L213-Y222 HydrophobicContact CD1-CE2 4.45Å
214S87.8Confident93.3Very high88 Ų8853.1 Ų53.162%0.61528%0.28SS*.  trans-131.9153.8177.565.60000112.2F216 Q217S214-F216 PolarHBondContact O-N 2.99Å; S214-Q217 PolarHBondContact O-N 3.21Å
215G89.1Confident93.2Very high56 Ų5657.4 Ų57.458%0.57729%0.292SS*.THydrogen-bonded Turntrans57-123.2175.200000114.2Q217 N218G215-Q217 VanDerWaalsContact C-N 3.34Å; G215-Q217 PolarHBondContact O-N 2.91Å; G215-N218 WeakPolarHBondContact O-CB 3.31Å; G215-N218 PolarHBondContact O-N 2.98Å
216F89.6Confident93.1Very high111 Ų11160.8 Ų60.849%0.48731%0.312SS..Hα-helixtrans-60.9-38-176.9175-104000113.2S214 N218 I219 L220S214-F216 PolarHBondContact O-N 2.99Å; F216-N218 VanDerWaalsContact C-N 3.28Å; F216-N218 PolarHBondContact O-N 3Å; F216-I219 PolarHBondContact O-N 3.31Å; F216-L220 HydrophobicContact CE1-CD2 3.97Å; F216-L220 HydrophobicContact CZ-CD2 4.29Å; F216-L220 PolarHBondContact O-N 2.97Å; F216-L220 VanDerWaalsContact O-N 3.07Å
217Q91.7Very high93Very high36 Ų3659.8 Ų59.817%0.16831%0.309CS..Hα-helixtrans-63.7-36.5-179.9-67.6169.2-11.700111.8Y48 L213 S214 G215 L220 Y221Y48-Q217 PolarHBondContact O-NE2 3.43Å; L213-Q217 HydrophobicContact CB-CB 4.39Å; L213-Q217 HydrophobicContact CD2-CB 4.18Å; S214-Q217 PolarHBondContact O-N 3.21Å; G215-Q217 VanDerWaalsContact C-N 3.34Å; G215-Q217 PolarHBondContact O-N 2.91Å; Q217-L220 PolarHBondContact O-N 3.46Å; Q217-Y221 WeakPolarHBondContact O-CB 3.38Å; Q217-Y221 PolarHBondContact O-N 3.37Å
218N92.1Very high92.9Very high61 Ų6163.1 Ų63.133%0.32632%0.324SS..Hα-helixtrans-61.7-44.9177.6-172.659.5000111.4L213 G215 F216 Y222L213-N218 HydrophobicContact CB-CB 4.47Å; G215-N218 WeakPolarHBondContact O-CB 3.31Å; G215-N218 PolarHBondContact O-N 2.98Å; F216-N218 VanDerWaalsContact C-N 3.28Å; F216-N218 PolarHBondContact O-N 3Å; N218-Y222 WeakPolarHBondContact O-CD2 3.28Å; N218-Y222 PolarHBondContact O-N 3.37Å; N218-Y222 WeakPolarHBondContact OD1-CD2 3.31Å; N218-Y222 WeakPolarHBondContact OD1-CE2 3.26Å
219I93.5Very high92.9Very high81 Ų8166.4 Ų66.442%0.41534%0.342SS..Hα-helixtrans-65.6-43.1178.3-60.6172.5000110.5F216 Y221 Y223F216-I219 PolarHBondContact O-N 3.31Å; I219-Y221 PolarHBondContact O-N 2.93Å; I219-Y223 CarbonylContact O-C 3.48Å; I219-Y223 WeakPolarHBondContact O-CA 3.45Å; I219-Y223 PolarHBondContact O-N 2.89Å; I219-Y223 VanDerWaalsContact O-N 3.1Å
220L93.3Very high92.9Very high3 Ų370.7 Ų70.72%0.01636%0.364CS..Hα-helixtrans-65-38.7-178.2-168.161.9000112.6F41 Y45 I49 F216 Q217F41-L220 HydrophobicContact CD2-CD1 4.18Å; F41-L220 HydrophobicContact CE2-CD1 3.44Å; F41-L220 VanDerWaalsContact CE2-CD1 3.44Å; F41-L220 HydrophobicContact CZ-CD1 3.99Å; Y45-L220 HydrophobicContact CD2-CG 4.19Å; I49-L220 HydrophobicContact CD1-CB 4.06Å; I49-L220 HydrophobicContact CD1-CD2 3.68Å; I49-L220 HydrophobicContact CD1-CG 3.59Å; I49-L220 HydrophobicContact CG1-CD2 4.03Å; I49-L220 HydrophobicContact CG1-CG 4.39Å; F216-L220 HydrophobicContact CE1-CD2 3.97Å; F216-L220 HydrophobicContact CZ-CD2 4.29Å; F216-L220 PolarHBondContact O-N 2.97Å; F216-L220 VanDerWaalsContact O-N 3.07Å; Q217-L220 PolarHBondContact O-N 3.46Å
221Y93.4Very high92.9Very high78 Ų7868.8 Ų68.831%0.30636%0.357SS..Hα-helixtrans-82.2-49.6-177.9-179.1-102.7000113.6I49 V52 L213 Q217 I219I49-Y221 HydrophobicContact CG2-CD2 4.24Å; V52-Y221 HydrophobicContact CB-CE1 4.43Å; V52-Y221 HydrophobicContact CB-CE2 3.96Å; V52-Y221 HydrophobicContact CG1-CD1 4.31Å; V52-Y221 HydrophobicContact CG1-CE1 3.72Å; V52-Y221 HydrophobicContact CG1-CE2 4.15Å; V52-Y221 HydrophobicContact CG2-CD2 3.69Å; V52-Y221 HydrophobicContact CG2-CE1 4.42Å; V52-Y221 HydrophobicContact CG2-CE2 3.51Å; V52-Y221 HydrophobicContact CG2-CG 4.23Å; L213-Y221 HydrophobicContact CD1-CD1 3.67Å; L213-Y221 HydrophobicContact CD1-CD2 4.49Å; L213-Y221 HydrophobicContact CD1-CG 3.63Å; Q217-Y221 WeakPolarHBondContact O-CB 3.38Å; Q217-Y221 PolarHBondContact O-N 3.37Å; I219-Y221 PolarHBondContact O-N 2.93Å
222Y93.7Very high93Very high136 Ų13669.6 Ų69.653%0.53336%0.361SS..Hα-helixtrans-81.8-24.1-174.9-70.8-77.3000113.7L213 N218 P224L213-Y222 HydrophobicContact CD1-CE2 4.45Å; N218-Y222 WeakPolarHBondContact O-CD2 3.28Å; N218-Y222 PolarHBondContact O-N 3.37Å; N218-Y222 WeakPolarHBondContact OD1-CD2 3.31Å; N218-Y222 WeakPolarHBondContact OD1-CE2 3.26Å; Y222-P224 VanDerWaalsContact C-CD 3.42Å; Y222-P224 WeakPolarHBondContact O-CD 3.48Å
223Y94.7Very high93.3Very high139 Ų13970.6 Ų70.655%0.54537%0.37SS..  trans-125.664.4180-56.3-82000111.4I219 Q225 V226 S227I219-Y223 CarbonylContact O-C 3.48Å; I219-Y223 WeakPolarHBondContact O-CA 3.45Å; I219-Y223 PolarHBondContact O-N 2.89Å; I219-Y223 VanDerWaalsContact O-N 3.1Å; Y223-Q225 VanDerWaalsContact C-N 3.31Å; Y223-Q225 PolarHBondContact O-N 3.29Å; Y223-V226 PolarHBondContact O-N 3.39Å; Y223-S227 WeakPolarHBondContact O-CB 3.38Å; Y223-S227 PolarHBondContact O-N 3.14Å; Y223-S227 PolarHBondContact O-OG 3.1Å
224P93.5Very high93.7Very high51 Ų5173.1 Ų73.133%0.33139%0.386SS..Hα-helixtrans-62.3-35.1-174.524.1-32.8000112.8Y222 S227 F228Y222-P224 VanDerWaalsContact C-CD 3.42Å; Y222-P224 WeakPolarHBondContact O-CD 3.48Å; P224-S227 WeakPolarHBondContact CA-OG 3.42Å; P224-S227 PolarHBondContact O-OG 3.45Å; P224-S227 VanDerWaalsContact O-OG 3.05Å; P224-F228 WeakPolarHBondContact O-CB 3.2Å; P224-F228 PolarHBondContact O-N 3.31Å
225Q94.6Very high94.1Very high134 Ų13469.6 Ų69.663%0.62636%0.361SS*.Hα-helixtrans-70.3-43.9179.7-56.387.4-12.700112.1Y223 F228 I229Y223-Q225 VanDerWaalsContact C-N 3.31Å; Y223-Q225 PolarHBondContact O-N 3.29Å; Q225-F228 PolarHBondContact O-N 2.99Å; Q225-I229 WeakPolarHBondContact O-CG1 3.36Å; Q225-I229 PolarHBondContact O-N 2.92Å; Q225-I229 VanDerWaalsContact O-N 3.11Å
226V94.6Very high94.4Very high77 Ų7767.9 Ų67.947%0.46734%0.34SS..Hα-helixtrans-68.5-45.8-179.2178.40000110.1Y223 F228 I229 I230Y223-V226 PolarHBondContact O-N 3.39Å; V226-F228 VanDerWaalsContact C-N 3.31Å; V226-F228 PolarHBondContact O-N 3.48Å; V226-I229 PolarHBondContact O-N 3.28Å; V226-I230 HydrophobicContact CG1-CD1 3.8Å; V226-I230 HydrophobicContact CG1-CG1 4.47Å; V226-I230 VanDerWaalsContact O-CG1 3.29Å; V226-I230 WeakPolarHBondContact O-CG1 3.37Å; V226-I230 PolarHBondContact O-N 3.01Å
227S94.7Very high94.7Very high9 Ų969 Ų696%0.06335%0.345CS..Hα-helixtrans-61.9-37.8176.656.80000112.4Y223 P224 I230 C231Y223-S227 WeakPolarHBondContact O-CB 3.38Å; Y223-S227 PolarHBondContact O-N 3.14Å; Y223-S227 PolarHBondContact O-OG 3.1Å; P224-S227 WeakPolarHBondContact CA-OG 3.42Å; P224-S227 PolarHBondContact O-OG 3.45Å; P224-S227 VanDerWaalsContact O-OG 3.05Å; S227-I230 PolarHBondContact O-N 2.94Å; S227-C231 VanDerWaalsContact O-CB 3.28Å; S227-C231 WeakPolarHBondContact O-CB 3.11Å; S227-C231 PolarHBondContact O-N 3.37Å
228F95.9Very high94.9Very high71 Ų7171.9 Ų71.931%0.31136%0.361SS..Hα-helixtrans-61-49.1174.2179.2-103.2000112.6V38 F41 P224 Q225 V226 I230 C231 I232V38-F228 HydrophobicContact CG2-CE2 4.03Å; V38-F228 HydrophobicContact CG2-CZ 3.98Å; F41-F228 HydrophobicContact CB-CD2 4.28Å; F41-F228 AromaticContact CD1-CD2 3.7Å; F41-F228 HydrophobicContact CD1-CD2 3.7Å; F41-F228 HydrophobicContact CD1-CE2 4.33Å; F41-F228 HydrophobicContact CD2-CB 4.31Å; F41-F228 HydrophobicContact CD2-CD2 4.15Å; F41-F228 HydrophobicContact CE1-CD2 4.01Å; F41-F228 HydrophobicContact CE2-CB 3.96Å; F41-F228 HydrophobicContact CE2-CD2 4.41Å; F41-F228 AromaticContact CG-CD2 3.77Å; F41-F228 HydrophobicContact CG-CD2 3.77Å; F41-F228 HydrophobicContact CG-CE2 4.5Å; F41-F228 HydrophobicContact CZ-CB 4.07Å; F41-F228 HydrophobicContact CZ-CD2 4.35Å; P224-F228 WeakPolarHBondContact O-CB 3.2Å; P224-F228 PolarHBondContact O-N 3.31Å; Q225-F228 PolarHBondContact O-N 2.99Å; V226-F228 VanDerWaalsContact C-N 3.31Å; V226-F228 PolarHBondContact O-N 3.48Å; F228-I230 PolarHBondContact O-N 3.39Å; F228-C231 PolarHBondContact O-N 3.48Å; F228-I232 HydrophobicContact CD1-CD1 3.96Å; F228-I232 HydrophobicContact CD2-CD1 4.27Å; F228-I232 HydrophobicContact CE1-CD1 3.38Å; F228-I232 HydrophobicContact CE2-CD1 3.73Å; F228-I232 HydrophobicContact CE2-CG1 4.47Å; F228-I232 HydrophobicContact CG-CD1 4.39Å; F228-I232 HydrophobicContact CZ-CD1 3.26Å; F228-I232 HydrophobicContact CZ-CG1 4.41Å; F228-I232 PolarHBondContact O-N 2.94Å
229I96Very high95Very high115 Ų11570.9 Ų70.959%0.5936%0.355SS*.Hα-helixtrans-62-43.7178.2-66.5166.8000110.8Q225 V226 I232 S233Q225-I229 WeakPolarHBondContact O-CG1 3.36Å; Q225-I229 PolarHBondContact O-N 2.92Å; Q225-I229 VanDerWaalsContact O-N 3.11Å; V226-I229 PolarHBondContact O-N 3.28Å; I229-I232 PolarHBondContact O-N 3.49Å; I229-S233 VanDerWaalsContact O-CB 3.29Å; I229-S233 WeakPolarHBondContact O-CB 3.31Å; I229-S233 PolarHBondContact O-N 3.22Å
230I95.6Very high95Very high93 Ų9369.3 Ų69.348%0.47735%0.347SS..Hα-helixtrans-61.1-46.3177-68.7168.9000110.5V226 S227 F228 S233 V234V226-I230 HydrophobicContact CG1-CD1 3.8Å; V226-I230 HydrophobicContact CG1-CG1 4.47Å; V226-I230 VanDerWaalsContact O-CG1 3.29Å; V226-I230 WeakPolarHBondContact O-CG1 3.37Å; V226-I230 PolarHBondContact O-N 3.01Å; S227-I230 PolarHBondContact O-N 2.94Å; F228-I230 PolarHBondContact O-N 3.39Å; I230-S233 PolarHBondContact O-N 3.3Å; I230-V234 HydrophobicContact CG2-CG2 4.37Å; I230-V234 VanDerWaalsContact O-CG2 3.31Å; I230-V234 WeakPolarHBondContact O-CG2 3.49Å; I230-V234 PolarHBondContact O-N 2.98Å
231C95.7Very high95Very high18 Ų1874.2 Ų74.212%0.12237%0.371CS..Hα-helixtrans-59.8-49.6179.9-175.30000111.4F41 S227 F228 S233 V234 V235F41-C231 HydrophobicContact CD2-CB 3.99Å; S227-C231 VanDerWaalsContact O-CB 3.28Å; S227-C231 WeakPolarHBondContact O-CB 3.11Å; S227-C231 PolarHBondContact O-N 3.37Å; F228-C231 PolarHBondContact O-N 3.48Å; C231-S233 PolarHBondContact O-N 3.47Å; C231-V234 PolarHBondContact O-N 2.91Å; C231-V235 WeakPolarHBondContact O-CB 3.43Å; C231-V235 VanDerWaalsContact O-CG2 3.3Å; C231-V235 WeakPolarHBondContact O-CG2 3.42Å; C231-V235 PolarHBondContact O-N 3.31Å
232I95.9Very high95.1Very high27 Ų2775.4 Ų75.414%0.13838%0.382CS..Hα-helixtrans-61.3-45.4177.1-70.2179.5000110.9L34 V38 F228 I229 V234 V235 S236L34-I232 HydrophobicContact CD2-CG2 3.52Å; V38-I232 HydrophobicContact CG2-CD1 4.31Å; F228-I232 HydrophobicContact CD1-CD1 3.96Å; F228-I232 HydrophobicContact CD2-CD1 4.27Å; F228-I232 HydrophobicContact CE1-CD1 3.38Å; F228-I232 HydrophobicContact CE2-CD1 3.73Å; F228-I232 HydrophobicContact CE2-CG1 4.47Å; F228-I232 HydrophobicContact CG-CD1 4.39Å; F228-I232 HydrophobicContact CZ-CD1 3.26Å; F228-I232 HydrophobicContact CZ-CG1 4.41Å; F228-I232 PolarHBondContact O-N 2.94Å; I229-I232 PolarHBondContact O-N 3.49Å; I232-V234 VanDerWaalsContact C-N 3.34Å; I232-V234 PolarHBondContact O-N 2.7Å; I232-V235 PolarHBondContact O-N 3.5Å; I232-S236 VanDerWaalsContact O-CB 3.31Å; I232-S236 WeakPolarHBondContact O-CB 3.34Å; I232-S236 PolarHBondContact O-N 3.35Å; I232-S236 PolarHBondContact O-OG 3.36Å
233S95.6Very high95Very high76 Ų7672 Ų7253%0.53137%0.369SS..Hα-helixtrans-58.7-44.5179.1177.70000112.2I229 I230 C231 F237I229-S233 VanDerWaalsContact O-CB 3.29Å; I229-S233 WeakPolarHBondContact O-CB 3.31Å; I229-S233 PolarHBondContact O-N 3.22Å; I230-S233 PolarHBondContact O-N 3.3Å; C231-S233 PolarHBondContact O-N 3.47Å; S233-F237 VanDerWaalsContact O-CB 3.26Å; S233-F237 WeakPolarHBondContact O-CB 3.49Å; S233-F237 PolarHBondContact O-N 3.43Å
234V96.2Very high94.9Very high76 Ų7669.8 Ų69.846%0.46137%0.365SS..Hα-helixtrans-65.9-44.9177.5172.20000111.2I230 C231 I232 F237 L238I230-V234 HydrophobicContact CG2-CG2 4.37Å; I230-V234 VanDerWaalsContact O-CG2 3.31Å; I230-V234 WeakPolarHBondContact O-CG2 3.49Å; I230-V234 PolarHBondContact O-N 2.98Å; C231-V234 PolarHBondContact O-N 2.91Å; I232-V234 VanDerWaalsContact C-N 3.34Å; I232-V234 PolarHBondContact O-N 2.7Å; V234-F237 PolarHBondContact O-N 3.47Å; V234-L238 HydrophobicContact CG1-CD1 4.06Å; V234-L238 VanDerWaalsContact O-CG 3.31Å; V234-L238 WeakPolarHBondContact O-CG 3.3Å; V234-L238 PolarHBondContact O-N 2.96Å
235V96.1Very high94.9Very high14 Ų1471 Ų719%0.08537%0.374CS..Hα-helixtrans-64-46.7178.7171.20000111.2Y36 V40 C231 I232 F237 L238 M239Y36-V235 HydrophobicContact CD1-CG1 3.65Å; Y36-V235 HydrophobicContact CE1-CG1 4.07Å; V40-V235 HydrophobicContact CB-CG2 4.43Å; V40-V235 HydrophobicContact CG1-CG2 4.26Å; C231-V235 WeakPolarHBondContact O-CB 3.43Å; C231-V235 VanDerWaalsContact O-CG2 3.3Å; C231-V235 WeakPolarHBondContact O-CG2 3.42Å; C231-V235 PolarHBondContact O-N 3.31Å; I232-V235 PolarHBondContact O-N 3.5Å; V235-F237 VanDerWaalsContact C-N 3.32Å; V235-F237 PolarHBondContact O-N 2.9Å; V235-L238 PolarHBondContact O-N 3.42Å; V235-M239 HydrophobicContact CG1-CG 4.43Å; V235-M239 WeakPolarHBondContact O-CB 3.39Å; V235-M239 WeakPolarHBondContact O-CG 3.31Å; V235-M239 PolarHBondContact O-N 3.26Å
236S94.9Very high94.8Very high19 Ų1967.5 Ų67.513%0.13337%0.365CS..Hα-helixtrans-60.8-41.1176.5-69.40000111.7I232 N240I232-S236 VanDerWaalsContact O-CB 3.31Å; I232-S236 WeakPolarHBondContact O-CB 3.34Å; I232-S236 PolarHBondContact O-N 3.35Å; I232-S236 PolarHBondContact O-OG 3.36Å; S236-N240 VanDerWaalsContact O-CB 3.31Å; S236-N240 WeakPolarHBondContact O-CB 3.4Å; S236-N240 PolarHBondContact O-N 3.24Å; S236-N240 PolarHBondContact O-ND2 3.07Å
237F96Very high94.7Very high135 Ų13568.3 Ų68.359%0.59237%0.366SS*.Hα-helixtrans-62-48175.7178.4-100.5000111.8S233 V234 V235 N240 M241S233-F237 VanDerWaalsContact O-CB 3.26Å; S233-F237 WeakPolarHBondContact O-CB 3.49Å; S233-F237 PolarHBondContact O-N 3.43Å; V234-F237 PolarHBondContact O-N 3.47Å; V235-F237 VanDerWaalsContact C-N 3.32Å; V235-F237 PolarHBondContact O-N 2.9Å; F237-N240 PolarHBondContact O-N 3.4Å; F237-M241 HydrophobicContact CD1-CG 4.47Å; F237-M241 HydrophobicContact CE1-CG 4.1Å; F237-M241 HydrophobicContact CE2-CG 4.41Å; F237-M241 HydrophobicContact CZ-CG 4.07Å; F237-M241 HydrophobicContact CZ-SD 4.31Å; F237-M241 WeakPolarHBondContact O-CG 3.32Å; F237-M241 PolarHBondContact O-N 3.45Å
238L96.1Very high94.6Very high97 Ų9773 Ų7351%0.50839%0.389SS..Hα-helixtrans-63.6-43.2179.1-69.7174.2000112.2V234 V235 M241 I242V234-L238 HydrophobicContact CG1-CD1 4.06Å; V234-L238 VanDerWaalsContact O-CG 3.31Å; V234-L238 WeakPolarHBondContact O-CG 3.3Å; V234-L238 PolarHBondContact O-N 2.96Å; V235-L238 PolarHBondContact O-N 3.42Å; L238-M241 PolarHBondContact O-N 3Å; L238-I242 WeakPolarHBondContact O-CG1 3.44Å; L238-I242 PolarHBondContact O-N 2.73Å; L238-I242 VanDerWaalsContact O-N 3.1Å
239M94.6Very high94.5Very high40 Ų4075.1 Ų75.120%0.19740%0.404CS..Hα-helixtrans-63-44176.6-75.4-63.1-170.300111.7T33 Y36 V235 M241 I242 Y243T33-M239 HydrophobicContact CG2-CB 3.74Å; T33-M239 HydrophobicContact CG2-CG 3.94Å; Y36-M239 HydrophobicContact CD1-CE 3.38Å; Y36-M239 HydrophobicContact CE1-CE 3.37Å; Y36-M239 HydrophobicContact CG-CE 4.06Å; V235-M239 HydrophobicContact CG1-CG 4.43Å; V235-M239 WeakPolarHBondContact O-CB 3.39Å; V235-M239 WeakPolarHBondContact O-CG 3.31Å; V235-M239 PolarHBondContact O-N 3.26Å; M239-M241 VanDerWaalsContact C-N 3.33Å; M239-M241 PolarHBondContact O-N 3Å; M239-I242 WeakPolarHBondContact O-CB 2.98Å; M239-I242 PolarHBondContact O-N 2.91Å; M239-I242 VanDerWaalsContact O-N 3.14Å; M239-I242 HydrophobicContact SD-CD1 4.47Å; M239-Y243 HydrophobicContact CB-CD2 4.47Å; M239-Y243 HydrophobicContact CB-CE2 3.81Å; M239-Y243 WeakPolarHBondContact O-CD2 3.42Å; M239-Y243 PolarHBondContact O-N 3.5Å
240N93.1Very high94.4Very high47 Ų4776.4 Ų76.425%0.25140%0.402SS..Hα-helixtrans-60-40.8175.5-88.1-77.7000112.6E30 S236 F237 I242 Y243 I244E30-N240 PolarHBondContact OE1-ND2 2.83Å; S236-N240 VanDerWaalsContact O-CB 3.31Å; S236-N240 WeakPolarHBondContact O-CB 3.4Å; S236-N240 PolarHBondContact O-N 3.24Å; S236-N240 PolarHBondContact O-ND2 3.07Å; F237-N240 PolarHBondContact O-N 3.4Å; N240-I242 VanDerWaalsContact C-N 3.33Å; N240-I242 PolarHBondContact O-N 3.42Å; N240-Y243 PolarHBondContact O-N 3.24Å; N240-I244 VanDerWaalsContact O-CG1 3.31Å; N240-I244 WeakPolarHBondContact O-CG1 3.29Å; N240-I244 PolarHBondContact O-N 3.39Å
241M94.6Very high94.2Very high106 Ų10676.6 Ų76.652%0.52240%0.403SS..Hα-helixtrans-62-40.4175-71.1-62.6-69.500112.3F237 L238 M239 S245F237-M241 HydrophobicContact CD1-CG 4.47Å; F237-M241 HydrophobicContact CE1-CG 4.1Å; F237-M241 HydrophobicContact CE2-CG 4.41Å; F237-M241 HydrophobicContact CZ-CG 4.07Å; F237-M241 HydrophobicContact CZ-SD 4.31Å; F237-M241 WeakPolarHBondContact O-CG 3.32Å; F237-M241 PolarHBondContact O-N 3.45Å; L238-M241 PolarHBondContact O-N 3Å; M239-M241 VanDerWaalsContact C-N 3.33Å; M239-M241 PolarHBondContact O-N 3Å; M241-S245 VanDerWaalsContact O-CB 3.31Å; M241-S245 WeakPolarHBondContact O-CB 2.97Å; M241-S245 PolarHBondContact O-N 3.46Å
242I94.3Very high94Very high104 Ų10480 Ų8053%0.53342%0.42SS..Hα-helixtrans-65.6-44.5175.7-66165.4000110.5L238 M239 N240 S245 S246L238-I242 WeakPolarHBondContact O-CG1 3.44Å; L238-I242 PolarHBondContact O-N 2.73Å; L238-I242 VanDerWaalsContact O-N 3.1Å; M239-I242 WeakPolarHBondContact O-CB 2.98Å; M239-I242 PolarHBondContact O-N 2.91Å; M239-I242 VanDerWaalsContact O-N 3.14Å; M239-I242 HydrophobicContact SD-CD1 4.47Å; N240-I242 VanDerWaalsContact C-N 3.33Å; N240-I242 PolarHBondContact O-N 3.42Å; I242-S245 PolarHBondContact O-N 2.92Å; I242-S246 WeakPolarHBondContact O-CB 3.43Å; I242-S246 PolarHBondContact O-N 2.93Å; I242-S246 PolarHBondContact O-OG 3.42Å
243Y92Very high93.8Very high65 Ų6586 Ų8626%0.25544%0.44SS..Hα-helixtrans-60.2-49.4178-61.3-39.5000111.6I29 T33 M239 N240 S245 S246 I247I29-Y243 HydrophobicContact CG2-CD2 3.92Å; I29-Y243 HydrophobicContact CG2-CE1 4.32Å; I29-Y243 HydrophobicContact CG2-CE2 3.36Å; T33-Y243 PolarHBondContact OG1-OH 2.88Å; M239-Y243 HydrophobicContact CB-CD2 4.47Å; M239-Y243 HydrophobicContact CB-CE2 3.81Å; M239-Y243 WeakPolarHBondContact O-CD2 3.42Å; M239-Y243 PolarHBondContact O-N 3.5Å; N240-Y243 PolarHBondContact O-N 3.24Å; Y243-S245 PolarHBondContact O-N 3.34Å; Y243-S246 PolarHBondContact O-N 2.94Å; Y243-S246 PolarHBondContact O-OG 3.28Å; Y243-I247 VanDerWaalsContact O-CG1 3.29Å; Y243-I247 WeakPolarHBondContact O-CG1 3.42Å; Y243-I247 PolarHBondContact O-N 2.61Å
244I92.4Very high93.6Very high91 Ų9190.6 Ų90.647%0.46745%0.446SS..Hα-helixtrans-61.2-45.1178.5-66.3168000110.8N240 S246 I247 L248N240-I244 VanDerWaalsContact O-CG1 3.31Å; N240-I244 WeakPolarHBondContact O-CG1 3.29Å; N240-I244 PolarHBondContact O-N 3.39Å; I244-S246 VanDerWaalsContact C-N 3.33Å; I244-S246 PolarHBondContact O-N 3.38Å; I244-I247 PolarHBondContact O-N 3.42Å; I244-L248 HydrophobicContact CG2-CD1 3.91Å; I244-L248 HydrophobicContact CG2-CG 4.32Å; I244-L248 VanDerWaalsContact O-CG 3.32Å; I244-L248 WeakPolarHBondContact O-CG 3.34Å; I244-L248 PolarHBondContact O-N 3.43Å
245S94.3Very high93.2Very high76 Ų7693.9 Ų93.953%0.53146%0.455SS..Hα-helixtrans-60-42.9177.4-173.60000112.1M241 I242 Y243 I247 L248 L249M241-S245 VanDerWaalsContact O-CB 3.31Å; M241-S245 WeakPolarHBondContact O-CB 2.97Å; M241-S245 PolarHBondContact O-N 3.46Å; I242-S245 PolarHBondContact O-N 2.92Å; Y243-S245 PolarHBondContact O-N 3.34Å; S245-I247 PolarHBondContact O-N 3.46Å; S245-L248 PolarHBondContact O-N 3.37Å; S245-L249 WeakPolarHBondContact O-CB 3.44Å; S245-L249 PolarHBondContact O-N 3.38Å
246S92.6Very high92.8Very high62 Ų6298.4 Ų98.443%0.43447%0.473SS..Hα-helixtrans-64.3-38.7177.875.80000112.7I242 Y243 I244 L249 Y250I242-S246 WeakPolarHBondContact O-CB 3.43Å; I242-S246 PolarHBondContact O-N 2.93Å; I242-S246 PolarHBondContact O-OG 3.42Å; Y243-S246 PolarHBondContact O-N 2.94Å; Y243-S246 PolarHBondContact O-OG 3.28Å; I244-S246 VanDerWaalsContact C-N 3.33Å; I244-S246 PolarHBondContact O-N 3.38Å; S246-L249 PolarHBondContact O-N 3.09Å; S246-Y250 WeakPolarHBondContact O-CB 3.31Å; S246-Y250 PolarHBondContact O-N 3.28Å
247I91.5Very high92.3Very high94 Ų94103.9 Ų103.948%0.48250%0.495SS..Hα-helixtrans-67.6-45.1176.5-67.4164.6000110.2Y243 I244 S245 L249 Y250 I251Y243-I247 VanDerWaalsContact O-CG1 3.29Å; Y243-I247 WeakPolarHBondContact O-CG1 3.42Å; Y243-I247 PolarHBondContact O-N 2.61Å; I244-I247 PolarHBondContact O-N 3.42Å; S245-I247 PolarHBondContact O-N 3.46Å; I247-L249 VanDerWaalsContact C-N 3.34Å; I247-L249 PolarHBondContact O-N 3.01Å; I247-Y250 PolarHBondContact O-N 3.49Å; I247-I251 HydrophobicContact CG2-CD1 3.83Å; I247-I251 HydrophobicContact CG2-CG1 4.48Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.49Å; I247-I251 PolarHBondContact O-N 3.4Å
248L93.5Very high91.7Very high106 Ų106105.4 Ų105.456%0.55550%0.501SS*.Hα-helixtrans-60.7-43.6177-72.4172000111.5I244 S245 Y250 I251 L252I244-L248 HydrophobicContact CG2-CD1 3.91Å; I244-L248 HydrophobicContact CG2-CG 4.32Å; I244-L248 VanDerWaalsContact O-CG 3.32Å; I244-L248 WeakPolarHBondContact O-CG 3.34Å; I244-L248 PolarHBondContact O-N 3.43Å; S245-L248 PolarHBondContact O-N 3.37Å; L248-Y250 PolarHBondContact O-N 2.95Å; L248-I251 PolarHBondContact O-N 3.48Å; L248-L252 WeakPolarHBondContact O-CB 3.26Å; L248-L252 PolarHBondContact O-N 3.19Å
249L94.2Very high90.6Very high117 Ų117104.7 Ų104.761%0.61351%0.505SS*.Hα-helixtrans-63.5-41.1176.2-174.266.1000111.8S245 S246 I247 L252 W253S245-L249 WeakPolarHBondContact O-CB 3.44Å; S245-L249 PolarHBondContact O-N 3.38Å; S246-L249 PolarHBondContact O-N 3.09Å; I247-L249 VanDerWaalsContact C-N 3.34Å; I247-L249 PolarHBondContact O-N 3.01Å; L249-L252 PolarHBondContact O-N 2.93Å; L249-W253 VanDerWaalsContact O-CB 3.31Å; L249-W253 WeakPolarHBondContact O-CB 3.31Å; L249-W253 PolarHBondContact O-N 3.25Å
250Y93Very high89.4Confident141 Ų141112.5 Ų112.555%0.55353%0.532SS*.Hα-helixtrans-63.8-42.7176.4177.6-104.1000112.5S246 I247 L248 W253 R254S246-Y250 WeakPolarHBondContact O-CB 3.31Å; S246-Y250 PolarHBondContact O-N 3.28Å; I247-Y250 PolarHBondContact O-N 3.49Å; L248-Y250 PolarHBondContact O-N 2.95Å; Y250-W253 HydrophobicContact CD2-CE3 4.33Å; Y250-W253 HydrophobicContact CE2-CE3 4.28Å; Y250-W253 HydrophobicContact CE2-CZ3 4.26Å; Y250-W253 PolarHBondContact O-N 3Å; Y250-R254 WeakPolarHBondContact O-CB 3.2Å; Y250-R254 PolarHBondContact O-N 2.99Å
251I91.8Very high88Confident98 Ų98115.1 Ų115.150%0.50355%0.55SS..Hα-helixtrans-63.8-46.6176.3-67.5165.3000110.4I247 L248 W253 R254 F255I247-I251 HydrophobicContact CG2-CD1 3.83Å; I247-I251 HydrophobicContact CG2-CG1 4.48Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.49Å; I247-I251 PolarHBondContact O-N 3.4Å; L248-I251 PolarHBondContact O-N 3.48Å; I251-W253 VanDerWaalsContact C-N 3.33Å; I251-W253 PolarHBondContact O-N 3.3Å; I251-R254 PolarHBondContact O-N 3.32Å; I251-F255 WeakPolarHBondContact O-CB 3.2Å; I251-F255 PolarHBondContact O-N 3.06Å
252L91.9Very high86.4Confident90 Ų90115.6 Ų115.647%0.47156%0.561SS.*Hα-helixtrans-59.1-45.9177.7-172.567.4000110.9L248 L249 R254 F255 F256L248-L252 WeakPolarHBondContact O-CB 3.26Å; L248-L252 PolarHBondContact O-N 3.19Å; L249-L252 PolarHBondContact O-N 2.93Å; L252-R254 PolarHBondContact O-N 3.38Å; L252-F255 PolarHBondContact O-N 3.45Å; L252-F256 HydrophobicContact CD1-CD2 4.04Å; L252-F256 HydrophobicContact CD1-CE2 3.6Å; L252-F256 HydrophobicContact CD2-CE2 4.32Å; L252-F256 HydrophobicContact CG-CD2 3.88Å; L252-F256 HydrophobicContact CG-CE2 3.74Å; L252-F256 VanDerWaalsContact O-CD2 3.26Å; L252-F256 WeakPolarHBondContact O-CD2 3.36Å; L252-F256 PolarHBondContact O-N 3.43Å
253W91.7Very high84.9Confident151 Ų151119.6 Ų119.657%0.57258%0.577SS**Hα-helixtrans-60.5-44.7176.1179.677.2000112.4L249 Y250 I251 F255 F256 K257L249-W253 VanDerWaalsContact O-CB 3.31Å; L249-W253 WeakPolarHBondContact O-CB 3.31Å; L249-W253 PolarHBondContact O-N 3.25Å; Y250-W253 HydrophobicContact CD2-CE3 4.33Å; Y250-W253 HydrophobicContact CE2-CE3 4.28Å; Y250-W253 HydrophobicContact CE2-CZ3 4.26Å; Y250-W253 PolarHBondContact O-N 3Å; I251-W253 VanDerWaalsContact C-N 3.33Å; I251-W253 PolarHBondContact O-N 3.3Å; W253-F255 PolarHBondContact O-N 2.9Å; W253-F256 PolarHBondContact O-N 3.05Å; W253-K257 HydrophobicContact CH2-CD 4.31Å; W253-K257 HydrophobicContact CZ2-CD 4.34Å; W253-K257 WeakPolarHBondContact O-CB 3.46Å; W253-K257 PolarHBondContact O-N 3.22Å
254R90.6Very high83.5Confident173 Ų173123.8 Ų123.865%0.65360%0.603SS**Hα-helixtrans-63.7-40.1177.1-169.2-173.7-176.7-166.73.2112Y250 I251 L252 K257 K258Y250-R254 WeakPolarHBondContact O-CB 3.2Å; Y250-R254 PolarHBondContact O-N 2.99Å; I251-R254 PolarHBondContact O-N 3.32Å; L252-R254 PolarHBondContact O-N 3.38Å; R254-K257 PolarHBondContact O-N 3.25Å; R254-K258 PolarHBondContact O-N 3.36Å
255F88.1Confident81.8Confident146 Ų146124.5 Ų124.564%0.6461%0.613SS**Hα-helixtrans-62.4-48.6176.6-175-95.1000111.3I251 L252 W253 K257 K258 S259I251-F255 WeakPolarHBondContact O-CB 3.2Å; I251-F255 PolarHBondContact O-N 3.06Å; L252-F255 PolarHBondContact O-N 3.45Å; W253-F255 PolarHBondContact O-N 2.9Å; F255-K257 VanDerWaalsContact C-N 3.3Å; F255-K257 PolarHBondContact O-N 3.18Å; F255-K258 PolarHBondContact O-N 3.06Å; F255-S259 PolarHBondContact O-N 3.3Å
256F86.8Confident80Confident108 Ų108130.3 Ų130.347%0.47463%0.629SS.*Hα-helixtrans-64.2-30.6175.8-83.9-66.9000113.8L252 W253 S259L252-F256 HydrophobicContact CD1-CD2 4.04Å; L252-F256 HydrophobicContact CD1-CE2 3.6Å; L252-F256 HydrophobicContact CD2-CE2 4.32Å; L252-F256 HydrophobicContact CG-CD2 3.88Å; L252-F256 HydrophobicContact CG-CE2 3.74Å; L252-F256 VanDerWaalsContact O-CD2 3.26Å; L252-F256 WeakPolarHBondContact O-CD2 3.36Å; L252-F256 PolarHBondContact O-N 3.43Å; W253-F256 PolarHBondContact O-N 3.05Å; F256-S259 PolarHBondContact O-OG 2.93Å; F256-S259 VanDerWaalsContact O-OG 3.06Å
257K85.7Confident78.2Confident134 Ų134134.3 Ų134.358%0.58365%0.645SS**Hα-helixtrans-71.1-40.6174.6-171.1175.4179.7178.80111.7W253 R254 F255 R260W253-K257 HydrophobicContact CH2-CD 4.31Å; W253-K257 HydrophobicContact CZ2-CD 4.34Å; W253-K257 WeakPolarHBondContact O-CB 3.46Å; W253-K257 PolarHBondContact O-N 3.22Å; R254-K257 PolarHBondContact O-N 3.25Å; F255-K257 VanDerWaalsContact C-N 3.3Å; F255-K257 PolarHBondContact O-N 3.18Å; K257-R260 PolarHBondContact O-N 2.94Å
258K82Confident76Confident167 Ų167138.2 Ų138.273%0.72666%0.659SS**Hα-helixtrans-65.8-37.5179.3-173.9178.7178.4-1750112.5R254 F255 R260 T261R254-K258 PolarHBondContact O-N 3.36Å; F255-K258 PolarHBondContact O-N 3.06Å; K258-R260 VanDerWaalsContact C-N 3.26Å; K258-R260 PolarHBondContact O-N 3.48Å; K258-T261 PolarHBondContact O-N 3.38Å; K258-T261 PolarHBondContact O-OG1 3.33Å
259S74Confident73.7Confident83 Ų83139.4 Ų139.458%0.5867%0.666SS**Hα-helixtrans-69-21.2177.659.90000113.9F255 F256F255-S259 PolarHBondContact O-N 3.3Å; F256-S259 PolarHBondContact O-OG 2.93Å; F256-S259 VanDerWaalsContact O-OG 3.06Å
260R68.9Low71.3Confident203 Ų203141.5 Ų141.577%0.76667%0.672SS**THydrogen-bonded Turntrans-84.9-6.8178.3-73.5-170.5-150.3177.44.9115.4K257 K258 P262K257-R260 PolarHBondContact O-N 2.94Å; K258-R260 VanDerWaalsContact C-N 3.26Å; K258-R260 PolarHBondContact O-N 3.48Å; R260-P262 WeakPolarHBondContact O-CD 2.94Å
261T64Low68.9Low103 Ų103140.6 Ų140.663%0.63268%0.683SS**SBendtrans-86.897.4171.1240000109.1K258 E263K258-T261 PolarHBondContact O-N 3.38Å; K258-T261 PolarHBondContact O-OG1 3.33Å; T261-E263 PolarHBondContact O-N 3.02Å
262P62Low66.6Low116 Ų116145.4 Ų145.475%0.75370%0.701SS**  trans-62.1127.3170.926.2-33.5000108.7R260 L264R260-P262 WeakPolarHBondContact O-CD 2.94Å; P262-L264 PolarHBondContact O-N 3.19Å
263E61.2Low64.2Low187 Ų187146.9 Ų146.987%0.87472%0.716SS**  trans-60.4109.8157.8-73.9-169.4168.100106.2T261 P265T261-E263 PolarHBondContact O-N 3.02Å; E263-P265 WeakPolarHBondContact O-CD 3.37Å; E263-P265 VanDerWaalsContact O-N 3.12Å
264L62.4Low61.7Low154 Ų154147.4 Ų147.481%0.80673%0.725SS**  trans-54.3121.6171-16677.3000106.4P262 K266P262-L264 PolarHBondContact O-N 3.19Å; L264-K266 PolarHBondContact O-N 3.07Å; L264-K266 VanDerWaalsContact O-N 3.07Å
265P56.8Low59.2Low105 Ų105148.7 Ų148.768%0.68274%0.735SS**  trans-54124.8173.3-1929.2000106.4E263 L267E263-P265 WeakPolarHBondContact O-CD 3.37Å; E263-P265 VanDerWaalsContact O-N 3.12Å; P265-L267 PolarHBondContact O-N 2.81Å
266K57Low56.8Low198 Ų198151.3 Ų151.386%0.86174%0.742SS**  trans-52.6108.7169.5-69.7-179.6-179.5177.90105.7L264 K268L264-K266 PolarHBondContact O-N 3.07Å; L264-K266 VanDerWaalsContact O-N 3.07Å; K266-K268 PolarHBondContact O-N 3.32Å
267L54.3Low54.6Low146 Ų146151.9 Ų151.976%0.76476%0.756SS**  trans-63.484.6173.5-164.984.9000106.1P265 N269 E270P265-L267 PolarHBondContact O-N 2.81Å; L267-N269 PolarHBondContact O-N 2.71Å; L267-E270 HydrophobicContact CD2-CG 4.02Å
268K46.1Very low52.5Low177 Ų177153.7 Ų153.777%0.7777%0.771SS**  trans-84.1107.7178.6-171.7168.6-178.1-174.60105.7K266K266-K268 PolarHBondContact O-N 3.32Å
269N44.4Very low50.1Low131 Ų131157.7 Ų157.770%0.70178%0.782SS**  trans99.769.9167.8-45.3-26.1000114.9L267L267-N269 PolarHBondContact O-N 2.71Å
270E44.7Very low48.1Very low160 Ų160156.5 Ų156.575%0.74878%0.783SS**PPolyproline II helixtrans-65.2126139.8-80.7-174.9159.700108.2L267 K272L267-E270 HydrophobicContact CD2-CG 4.02Å; E270-K272 PolarHBondContact O-N 3.26Å
271P43.5Very low46.6Very low122 Ų122155 Ų15579%0.79279%0.785SS**PPolyproline II helixtrans-66.5131.1173.724.9-29000109.7
272K42Very low45.2Very low199 Ų199157.5 Ų157.587%0.86579%0.793SS**PPolyproline II helixtrans-52.6138.2179.6-78.7177175.5176.40111E270 E274E270-K272 PolarHBondContact O-N 3.26Å; K272-E274 PolarHBondContact O-N 3.14Å
273P41.4Very low43.9Very low121 Ų121159 Ų15979%0.78679%0.794SS**PPolyproline II helixtrans-66.7123177.226.3-32000110.3K275P273-K275 PolarHBondContact O-N 3.46Å
274E40.3Very low42.9Very low163 Ų163154.9 Ų154.976%0.76279%0.786SS**  trans-64.8114.8170.9-158.1166.5-152.200108.2K272 Y276K272-E274 PolarHBondContact O-N 3.14Å; E274-Y276 PolarHBondContact O-N 3.29Å; E274-Y276 VanDerWaalsContact O-N 3.14Å
275K37.6Very low41.6Very low200 Ų200155.8 Ų155.887%0.8779%0.786SS**  trans-70.4105.4177.6-74.3-179.8176.8-177.70108.3P273P273-K275 PolarHBondContact O-N 3.46Å
276Y38.4Very low40.8Very low200 Ų200158.6 Ų158.678%0.78480%0.796SS**PPolyproline II helixtrans-66.9125.6162.2-76.2-90.2000108.9E274E274-Y276 PolarHBondContact O-N 3.29Å; E274-Y276 VanDerWaalsContact O-N 3.14Å
277P41.2Very low39.9Very low120 Ų120156 Ų15678%0.77979%0.792SS**PPolyproline II helixtrans-69.4135.8179.8-12.426.6000110.8
278L41.3Very low39.3Very low172 Ų172154.5 Ų154.590%0.90179%0.793SS**PPolyproline II helixtrans-58.1134.9169.1-9397000110.4
279R31.8Very low38.8Very low251 Ų251155.8 Ų155.895%0.94780%0.799SS**PPolyproline II helixtrans-87.9124.8172.4167170.3-83.4-137.8-7.7109.4
280G31.3Very low38.6Very low59 Ų59154.5 Ų154.561%0.60880%0.8SS**  trans141.8108.7-178.600000106.1
281E37.8Very low38.5Very low171 Ų171158.4 Ų158.480%0.79983%0.826SS**  -146.212865-128.886.5167.500106.8
282I33.2Very low38.3Very low156 Ų156160.2 Ų160.280%0.883%0.828SS**  28.8104.785-52.4174.6000112.7
283D36.3Very low38.1Very low146 Ų146158.2 Ų158.278%0.78183%0.826SS**  trans-151.9130.5142.9-91.2-30.7000110.7
284S38.5Very low37.9Very low101 Ų101160.2 Ų160.271%0.70683%0.828SS**  trans50.9108.1152.9580000118.4
285E35.2Very low37.7Very low173 Ų173160.1 Ų160.181%0.80883%0.832SS**  44.499.784.8-83.5-174.4152.600112.6
286D41.5Very low37.7Very low165 Ų165157.6 Ų157.688%0.88283%0.83SS**  trans-146.5104.6134.8-100.2-26.6000109.1
287N37.2Very low37.7Very low144 Ų144154.7 Ų154.777%0.7783%0.833SS**  trans-70.2123.6160.2-76.5-43.5000107.8
288S42.7Very low37.4Very low114 Ų114157.2 Ų157.280%0.79784%0.837SS**  trans-137.9104.5147.755.10000109.5
289F35.4Very low37.1Very low203 Ų203156.1 Ų156.189%0.8983%0.832SS**  trans-67.2133.4151.9-97.4-104000108.8
290S38.7Very low37.6Very low104 Ų104148.2 Ų148.273%0.72782%0.822SS**  trans-177.3119.6136.345.60000110.1
291D43.4Very low38.2Very low242 Ų242156.3 Ų156.3100%1.29484%0.841SS**  trans530157.5-56.4-15.7000121.3

Retrieved 291 of 291 residues in 52.8 ms (Link to these results)

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