A0A3Q0KEM7_SCHMA Loading...

ditrans,polycis-polyprenyl diphosphate synthase [(2E,6E)-farnesyldiphosphate specific]

AlphaFold DB , UniProt , Accession A0A3Q0KEM7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 233 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
1M82.1Confident91.4Very high201 Ų201123.3 Ų123.399%0.9960%0.6SS**  0-46.10-85.2-177.663.900114T4 F5M1-T4 WeakPolarHBondContact CA-OG1 3.47Å; M1-T4 PolarHBondContact O-OG1 3.07Å; M1-F5 PolarHBondContact O-N 3.02Å
2I90.1Very high91.6Very high135 Ų135120.2 Ų120.269%0.69259%0.587SS**Hα-helixtrans-64-47.7-177-63.9170.1000112.2T4 F5 I6I2-T4 PolarHBondContact O-N 3.39Å; I2-F5 WeakPolarHBondContact O-CB 3.47Å; I2-F5 PolarHBondContact O-N 3.19Å; I2-I6 HydrophobicContact CG2-CD1 3.85Å; I2-I6 HydrophobicContact CG2-CG1 4.47Å; I2-I6 WeakPolarHBondContact O-CG1 3.49Å; I2-I6 PolarHBondContact O-N 3.01Å
3L90.8Very high91.7Very high123 Ų123121.3 Ų121.364%0.64459%0.587SS**Hα-helixtrans-61.1-41.6-179.7-176.464.3000113F5 I6 I7L3-F5 VanDerWaalsContact C-N 3.32Å; L3-F5 PolarHBondContact O-N 3.32Å; L3-I6 PolarHBondContact O-N 2.8Å; L3-I7 HydrophobicContact CD1-CD1 4.41Å; L3-I7 HydrophobicContact CG-CD1 4.09Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.46Å
4T91.2Very high91.6Very high95 Ų95117 Ų11758%0.58357%0.568SS**Hα-helixtrans-64.9-36.6177.545.60000111.9M1 I2 F8M1-T4 WeakPolarHBondContact CA-OG1 3.47Å; M1-T4 PolarHBondContact O-OG1 3.07Å; I2-T4 PolarHBondContact O-N 3.39Å; T4-F8 PolarHBondContact O-N 3.18Å; T4-F8 VanDerWaalsContact O-N 3.07Å
5F92.9Very high91.6Very high138 Ų138117.5 Ų117.561%0.60557%0.566SS**Hα-helixtrans-67.3-43.1174.5-175.7-102000112.1M1 I2 L3 I7 F8 V9M1-F5 PolarHBondContact O-N 3.02Å; I2-F5 WeakPolarHBondContact O-CB 3.47Å; I2-F5 PolarHBondContact O-N 3.19Å; L3-F5 VanDerWaalsContact C-N 3.32Å; L3-F5 PolarHBondContact O-N 3.32Å; F5-I7 PolarHBondContact O-N 3.01Å; F5-F8 WeakPolarHBondContact O-CB 3.34Å; F5-F8 PolarHBondContact O-N 3.46Å; F5-V9 HydrophobicContact CD1-CG2 4.3Å; F5-V9 HydrophobicContact CE1-CG2 3.91Å; F5-V9 HydrophobicContact CE2-CG2 4.46Å; F5-V9 HydrophobicContact CZ-CG2 4Å; F5-V9 WeakPolarHBondContact O-CG2 3.44Å; F5-V9 PolarHBondContact O-N 3Å
6I93Very high91.6Very high99 Ų99114.5 Ų114.551%0.50856%0.557SS.*Hα-helixtrans-60.4-44.6176.3-66.7168.5000111I2 L3 F8 V9 Y10I2-I6 HydrophobicContact CG2-CD1 3.85Å; I2-I6 HydrophobicContact CG2-CG1 4.47Å; I2-I6 WeakPolarHBondContact O-CG1 3.49Å; I2-I6 PolarHBondContact O-N 3.01Å; L3-I6 PolarHBondContact O-N 2.8Å; I6-F8 VanDerWaalsContact C-N 3.32Å; I6-F8 PolarHBondContact O-N 3.43Å; I6-V9 PolarHBondContact O-N 3.44Å; I6-Y10 PolarHBondContact O-N 3.44Å
7I92.1Very high91.5Very high77 Ų77112.8 Ų112.840%0.39555%0.551SS.*Hα-helixtrans-62.3-39.9176.8-67.3166.7000111.1L3 F5 Y10 K11L3-I7 HydrophobicContact CD1-CD1 4.41Å; L3-I7 HydrophobicContact CG-CD1 4.09Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.46Å; F5-I7 PolarHBondContact O-N 3.01Å; I7-Y10 PolarHBondContact O-N 2.93Å; I7-K11 HydrophobicContact CG2-CD 4.2Å; I7-K11 HydrophobicContact CG2-CG 4.47Å; I7-K11 WeakPolarHBondContact O-CB 3.48Å; I7-K11 WeakPolarHBondContact O-CG 3.47Å; I7-K11 PolarHBondContact O-N 3.38Å
8F93.3Very high91Very high127 Ų127113.6 Ų113.656%0.55755%0.551SS**Hα-helixtrans-63-47.7176.9176.6-98.8000112T4 F5 I6 Y10 K11 L12T4-F8 PolarHBondContact O-N 3.18Å; T4-F8 VanDerWaalsContact O-N 3.07Å; F5-F8 WeakPolarHBondContact O-CB 3.34Å; F5-F8 PolarHBondContact O-N 3.46Å; I6-F8 VanDerWaalsContact C-N 3.32Å; I6-F8 PolarHBondContact O-N 3.43Å; F8-Y10 VanDerWaalsContact C-N 3.33Å; F8-Y10 PolarHBondContact O-N 2.87Å; F8-K11 PolarHBondContact O-N 3.38Å; F8-L12 HydrophobicContact CE1-CD2 4.46Å; F8-L12 WeakPolarHBondContact O-CB 3.36Å; F8-L12 PolarHBondContact O-N 3.25Å
9V94.4Very high90.7Very high70 Ų70111.3 Ų111.342%0.42454%0.541SS..Hα-helixtrans-61.8-41.3177.6175.10000111.3F5 I6 L12 K13F5-V9 HydrophobicContact CD1-CG2 4.3Å; F5-V9 HydrophobicContact CE1-CG2 3.91Å; F5-V9 HydrophobicContact CE2-CG2 4.46Å; F5-V9 HydrophobicContact CZ-CG2 4Å; F5-V9 WeakPolarHBondContact O-CG2 3.44Å; F5-V9 PolarHBondContact O-N 3Å; I6-V9 PolarHBondContact O-N 3.44Å; V9-L12 PolarHBondContact O-N 2.96Å; V9-K13 WeakPolarHBondContact O-CB 3.34Å; V9-K13 PolarHBondContact O-N 3.19Å
10Y93.9Very high90.4Very high151 Ų151110.1 Ų110.159%0.59254%0.536SS*.Hα-helixtrans-63-44.6175.7-178.3-106.1000112.3I6 I7 F8 K13 I14I6-Y10 PolarHBondContact O-N 3.44Å; I7-Y10 PolarHBondContact O-N 2.93Å; F8-Y10 VanDerWaalsContact C-N 3.33Å; F8-Y10 PolarHBondContact O-N 2.87Å; Y10-K13 PolarHBondContact O-N 3.23Å; Y10-I14 HydrophobicContact CD1-CD1 3.8Å; Y10-I14 HydrophobicContact CE1-CD1 3.28Å; Y10-I14 HydrophobicContact CE1-CG1 4.36Å; Y10-I14 HydrophobicContact CE2-CD1 4.33Å; Y10-I14 WeakPolarHBondContact O-CG1 3.45Å; Y10-I14 PolarHBondContact O-N 3.48Å
11K92Very high89.6Confident140 Ų140110.5 Ų110.561%0.60954%0.537SS*.Hα-helixtrans-63-41.7175.4-75.8-178177.7-175.10112.1I7 F8 I14 F15I7-K11 HydrophobicContact CG2-CD 4.2Å; I7-K11 HydrophobicContact CG2-CG 4.47Å; I7-K11 WeakPolarHBondContact O-CB 3.48Å; I7-K11 WeakPolarHBondContact O-CG 3.47Å; I7-K11 PolarHBondContact O-N 3.38Å; F8-K11 PolarHBondContact O-N 3.38Å; K11-I14 PolarHBondContact O-N 2.94Å; K11-F15 WeakPolarHBondContact O-CB 3.45Å; K11-F15 PolarHBondContact O-N 3.31Å
12L93.7Very high89.1Confident86 Ų86105.9 Ų105.945%0.4552%0.516SS..Hα-helixtrans-62.8-43176.4-175.363.4000111.2F8 V9 I14 F15 V16F8-L12 HydrophobicContact CE1-CD2 4.46Å; F8-L12 WeakPolarHBondContact O-CB 3.36Å; F8-L12 PolarHBondContact O-N 3.25Å; V9-L12 PolarHBondContact O-N 2.96Å; L12-I14 PolarHBondContact O-N 2.92Å; L12-F15 PolarHBondContact O-N 3.44Å; L12-V16 HydrophobicContact CD1-CG2 4.49Å; L12-V16 WeakPolarHBondContact O-CG2 3.49Å; L12-V16 PolarHBondContact O-N 2.92Å
13K93.1Very high88.4Confident135 Ų135104.5 Ų104.559%0.58751%0.51SS*.Hα-helixtrans-58.6-46.3174.2-175.8-177.8176.7-178.50111.7V9 Y10 F15 V16 L17V9-K13 WeakPolarHBondContact O-CB 3.34Å; V9-K13 PolarHBondContact O-N 3.19Å; Y10-K13 PolarHBondContact O-N 3.23Å; K13-F15 VanDerWaalsContact C-N 3.34Å; K13-F15 PolarHBondContact O-N 3.04Å; K13-V16 PolarHBondContact O-N 2.88Å; K13-L17 HydrophobicContact CG-CD1 4.13Å; K13-L17 WeakPolarHBondContact O-CB 3.47Å; K13-L17 VanDerWaalsContact O-CG 3.26Å; K13-L17 WeakPolarHBondContact O-CG 3.44Å; K13-L17 PolarHBondContact O-N 3.47Å
14I90.5Very high87.4Confident61 Ų61103.6 Ų103.631%0.31351%0.505SS..Hα-helixtrans-61.1-43.7176.4-70.1170.1000111.1Y10 K11 L12 L17 K18Y10-I14 HydrophobicContact CD1-CD1 3.8Å; Y10-I14 HydrophobicContact CE1-CD1 3.28Å; Y10-I14 HydrophobicContact CE1-CG1 4.36Å; Y10-I14 HydrophobicContact CE2-CD1 4.33Å; Y10-I14 WeakPolarHBondContact O-CG1 3.45Å; Y10-I14 PolarHBondContact O-N 3.48Å; K11-I14 PolarHBondContact O-N 2.94Å; L12-I14 PolarHBondContact O-N 2.92Å; I14-L17 PolarHBondContact O-N 2.97Å; I14-K18 HydrophobicContact CG2-CD 4.31Å; I14-K18 WeakPolarHBondContact O-CG 3.26Å; I14-K18 PolarHBondContact O-N 3.36Å
15F90.5Very high86Confident125 Ų125104.1 Ų104.155%0.54850%0.503SS..Hα-helixtrans-61.8-46.8179.4179.5-103.2000112K11 L12 K13 L17 K18 I19K11-F15 WeakPolarHBondContact O-CB 3.45Å; K11-F15 PolarHBondContact O-N 3.31Å; L12-F15 PolarHBondContact O-N 3.44Å; K13-F15 VanDerWaalsContact C-N 3.34Å; K13-F15 PolarHBondContact O-N 3.04Å; F15-L17 PolarHBondContact O-N 2.96Å; F15-K18 PolarHBondContact O-N 3.34Å; F15-I19 HydrophobicContact CD1-CD1 3.89Å; F15-I19 HydrophobicContact CE1-CD1 3.31Å; F15-I19 HydrophobicContact CE1-CG1 4.42Å; F15-I19 HydrophobicContact CE2-CD1 4.21Å; F15-I19 HydrophobicContact CZ-CD1 3.5Å; F15-I19 HydrophobicContact CZ-CG1 4.41Å; F15-I19 PolarHBondContact O-N 3.43Å
16V91.8Very high84.4Confident69 Ų69101.8 Ų101.842%0.41849%0.493SS..Hα-helixtrans-62.1-42.5176.3172.60000111.3L12 K13 K18 I19 L20L12-V16 HydrophobicContact CD1-CG2 4.49Å; L12-V16 WeakPolarHBondContact O-CG2 3.49Å; L12-V16 PolarHBondContact O-N 2.92Å; K13-V16 PolarHBondContact O-N 2.88Å; V16-K18 PolarHBondContact O-N 3.31Å; V16-I19 PolarHBondContact O-N 3.46Å; V16-L20 HydrophobicContact CG1-CD1 3.85Å; V16-L20 WeakPolarHBondContact O-CB 3.41Å; V16-L20 WeakPolarHBondContact O-CG 3.19Å; V16-L20 PolarHBondContact O-N 2.92Å
17L90.1Very high82.9Confident86 Ų86100.4 Ų100.445%0.4549%0.492SS..Hα-helixtrans-61.9-40.5176.1-73.3171.3000112.4K13 I14 F15 L20 Q21K13-L17 HydrophobicContact CG-CD1 4.13Å; K13-L17 WeakPolarHBondContact O-CB 3.47Å; K13-L17 VanDerWaalsContact O-CG 3.26Å; K13-L17 WeakPolarHBondContact O-CG 3.44Å; K13-L17 PolarHBondContact O-N 3.47Å; I14-L17 PolarHBondContact O-N 2.97Å; F15-L17 PolarHBondContact O-N 2.96Å; L17-L20 PolarHBondContact O-N 3.22Å; L17-Q21 WeakPolarHBondContact O-CB 3.5Å; L17-Q21 VanDerWaalsContact O-CG 3.29Å; L17-Q21 WeakPolarHBondContact O-CG 3.5Å; L17-Q21 PolarHBondContact O-N 2.88Å
18K82.6Confident81.3Confident126 Ų12699.3 Ų99.355%0.54849%0.491SS..Hα-helixtrans-65-41.7175.8-75.5-178176.5-172.90112.2I14 F15 V16 Q21 L22I14-K18 HydrophobicContact CG2-CD 4.31Å; I14-K18 WeakPolarHBondContact O-CG 3.26Å; I14-K18 PolarHBondContact O-N 3.36Å; F15-K18 PolarHBondContact O-N 3.34Å; V16-K18 PolarHBondContact O-N 3.31Å; K18-Q21 PolarHBondContact O-N 3.32Å; K18-L22 WeakPolarHBondContact O-CG 3.29Å; K18-L22 PolarHBondContact O-N 3.45Å
19I84.4Confident79.6Confident71 Ų7196.3 Ų96.336%0.36448%0.48SS..Hα-helixtrans-62.4-47.3175.2-72.1176.7000110.6F15 V16 Q21 L22 L23F15-I19 HydrophobicContact CD1-CD1 3.89Å; F15-I19 HydrophobicContact CE1-CD1 3.31Å; F15-I19 HydrophobicContact CE1-CG1 4.42Å; F15-I19 HydrophobicContact CE2-CD1 4.21Å; F15-I19 HydrophobicContact CZ-CD1 3.5Å; F15-I19 HydrophobicContact CZ-CG1 4.41Å; F15-I19 PolarHBondContact O-N 3.43Å; V16-I19 PolarHBondContact O-N 3.46Å; I19-Q21 VanDerWaalsContact C-N 3.34Å; I19-Q21 PolarHBondContact O-N 3.03Å; I19-L22 PolarHBondContact O-N 3.26Å; I19-L23 HydrophobicContact CG2-CD1 3.94Å; I19-L23 HydrophobicContact CG2-CG 4.38Å; I19-L23 WeakPolarHBondContact O-CG 3.4Å; I19-L23 PolarHBondContact O-N 3.48Å
20L84.9Confident77.8Confident86 Ų8695.3 Ų95.345%0.4548%0.477SS..Hα-helixtrans-59.8-43.9176.7-79.1161.3000111.5V16 L17 L22 L23 I24V16-L20 HydrophobicContact CG1-CD1 3.85Å; V16-L20 WeakPolarHBondContact O-CB 3.41Å; V16-L20 WeakPolarHBondContact O-CG 3.19Å; V16-L20 PolarHBondContact O-N 2.92Å; L17-L20 PolarHBondContact O-N 3.22Å; L20-L22 PolarHBondContact O-N 3.45Å; L20-L23 PolarHBondContact O-N 3.39Å; L20-I24 WeakPolarHBondContact O-CB 3.44Å; L20-I24 WeakPolarHBondContact O-CD1 3.33Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 2.96Å
21Q73.9Confident76.1Confident119 Ų11990.7 Ų90.756%0.55647%0.469SS*.Hα-helixtrans-58.9-44.5175-78.4175.2-16.300112.1L17 K18 I19 I24 L25L17-Q21 WeakPolarHBondContact O-CB 3.5Å; L17-Q21 VanDerWaalsContact O-CG 3.29Å; L17-Q21 WeakPolarHBondContact O-CG 3.5Å; L17-Q21 PolarHBondContact O-N 2.88Å; K18-Q21 PolarHBondContact O-N 3.32Å; I19-Q21 VanDerWaalsContact C-N 3.34Å; I19-Q21 PolarHBondContact O-N 3.03Å; Q21-I24 PolarHBondContact O-N 3.41Å; Q21-L25 WeakPolarHBondContact O-CB 3.42Å; Q21-L25 WeakPolarHBondContact O-CD1 3.33Å; Q21-L25 WeakPolarHBondContact O-CG 3.36Å; Q21-L25 PolarHBondContact O-N 2.86Å
22L71.6Confident74.5Confident105 Ų10590.7 Ų90.755%0.5547%0.467SS..Hα-helixtrans-64.4-42.5177.5-73.9167.3000112.2K18 I19 L20 L25 K26K18-L22 WeakPolarHBondContact O-CG 3.29Å; K18-L22 PolarHBondContact O-N 3.45Å; I19-L22 PolarHBondContact O-N 3.26Å; L20-L22 PolarHBondContact O-N 3.45Å; L22-L25 PolarHBondContact O-N 3.4Å; L22-K26 WeakPolarHBondContact O-CB 3.44Å; L22-K26 WeakPolarHBondContact O-CG 3.4Å; L22-K26 PolarHBondContact O-N 2.86Å
23L75.3Confident72.9Confident105 Ų10588 Ų8855%0.5545%0.452SS..Hα-helixtrans-63.9-44176.1-69.3172.9000111.2I19 L20 K26 S27I19-L23 HydrophobicContact CG2-CD1 3.94Å; I19-L23 HydrophobicContact CG2-CG 4.38Å; I19-L23 WeakPolarHBondContact O-CG 3.4Å; I19-L23 PolarHBondContact O-N 3.48Å; L20-L23 PolarHBondContact O-N 3.39Å; L23-K26 PolarHBondContact O-N 3.11Å; L23-S27 WeakPolarHBondContact O-CB 3.43Å; L23-S27 PolarHBondContact O-N 2.92Å; L23-S27 PolarHBondContact O-OG 3.33Å; L23-S27 VanDerWaalsContact O-OG 3.11Å
24I69.8Low71.3Confident105 Ų10586.5 Ų86.554%0.53845%0.447SS..Hα-helixtrans-62.8-43.5176.4-68.1163.7000110.7L20 Q21 S27 S28L20-I24 WeakPolarHBondContact O-CB 3.44Å; L20-I24 WeakPolarHBondContact O-CD1 3.33Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 2.96Å; Q21-I24 PolarHBondContact O-N 3.41Å; I24-S27 WeakPolarHBondContact CA-OG 3.45Å; I24-S27 PolarHBondContact O-OG 3.46Å; I24-S28 WeakPolarHBondContact O-CA 3.05Å; I24-S28 WeakPolarHBondContact O-CB 3.1Å; I24-S28 PolarHBondContact O-N 2.78Å; I24-S28 PolarHBondContact O-OG 3.01Å
25L62.2Low69.6Low106 Ų10685.8 Ų85.856%0.55545%0.447SS*.Hα-helixtrans-63.2-41.1176.6-86.8153.7000112Q21 L22 S28 L29Q21-L25 WeakPolarHBondContact O-CB 3.42Å; Q21-L25 WeakPolarHBondContact O-CD1 3.33Å; Q21-L25 WeakPolarHBondContact O-CG 3.36Å; Q21-L25 PolarHBondContact O-N 2.86Å; L22-L25 PolarHBondContact O-N 3.4Å; L25-S28 WeakPolarHBondContact CA-OG 3.4Å; L25-S28 PolarHBondContact O-OG 3.03Å; L25-L29 WeakPolarHBondContact O-CB 3.03Å; L25-L29 PolarHBondContact O-N 3.02Å
26K60.3Low68.1Low89 Ų8981.2 Ų81.239%0.38743%0.43SS..Hα-helixtrans-67.6-48.1176.5-78.7-174.5166.4-155.70111.7L22 L23 S28 L29 S30 D107L22-K26 WeakPolarHBondContact O-CB 3.44Å; L22-K26 WeakPolarHBondContact O-CG 3.4Å; L22-K26 PolarHBondContact O-N 2.86Å; L23-K26 PolarHBondContact O-N 3.11Å; K26-S28 VanDerWaalsContact C-N 3.29Å; K26-S28 PolarHBondContact O-N 3.44Å; K26-L29 PolarHBondContact O-N 2.67Å; K26-S30 PolarHBondContact O-N 2.98Å; K26-D107 WeakPolarHBondContact CD-OD2 3.45Å; K26-D107 WeakPolarHBondContact CE-OD2 3.27Å; K26-D107 IonicContact NZ-OD1 3.44Å; K26-D107 PolarHBondContact NZ-OD1 3.13Å; K26-D107 IonicContact NZ-OD2 3.6Å; K26-D107 PolarHBondContact NZ-OD2 2.92Å
27S60.5Low66.5Low70 Ų7079.9 Ų79.949%0.4942%0.418SS..Hα-helixtrans-64.2-37.4177.263.80000111.3L23 I24 A31L23-S27 WeakPolarHBondContact O-CB 3.43Å; L23-S27 PolarHBondContact O-N 2.92Å; L23-S27 PolarHBondContact O-OG 3.33Å; L23-S27 VanDerWaalsContact O-OG 3.11Å; I24-S27 WeakPolarHBondContact CA-OG 3.45Å; I24-S27 PolarHBondContact O-OG 3.46Å; S27-A31 WeakPolarHBondContact O-CB 3.47Å; S27-A31 PolarHBondContact O-N 3.19Å
28S58.4Low64.7Low53 Ų5377.5 Ų77.537%0.37141%0.408SS..Hα-helixtrans-72.6-34.3178.672.20000111.9I24 L25 K26 Y32I24-S28 WeakPolarHBondContact O-CA 3.05Å; I24-S28 WeakPolarHBondContact O-CB 3.1Å; I24-S28 PolarHBondContact O-N 2.78Å; I24-S28 PolarHBondContact O-OG 3.01Å; L25-S28 WeakPolarHBondContact CA-OG 3.4Å; L25-S28 PolarHBondContact O-OG 3.03Å; K26-S28 VanDerWaalsContact C-N 3.29Å; K26-S28 PolarHBondContact O-N 3.44Å; S28-Y32 WeakPolarHBondContact O-CA 3.09Å; S28-Y32 WeakPolarHBondContact O-CB 3.4Å; S28-Y32 PolarHBondContact O-N 2.76Å
29L57.1Low63.3Low64 Ų6475.1 Ų75.134%0.33540%0.402SS..Hα-helixtrans-65.9-48.7173.7-142.187.8000110.2L25 K26 A31 Y32 F33 K106L25-L29 WeakPolarHBondContact O-CB 3.03Å; L25-L29 PolarHBondContact O-N 3.02Å; K26-L29 PolarHBondContact O-N 2.67Å; L29-A31 VanDerWaalsContact C-N 3.33Å; L29-A31 PolarHBondContact O-N 3.28Å; L29-Y32 PolarHBondContact O-N 3.19Å; L29-F33 HydrophobicContact CD2-CD2 4.31Å; L29-F33 HydrophobicContact CD2-CE2 3.68Å; L29-F33 HydrophobicContact CG-CD2 4.07Å; L29-F33 HydrophobicContact CG-CE2 3.73Å; L29-F33 WeakPolarHBondContact O-CB 3.35Å; L29-F33 WeakPolarHBondContact O-CD2 3.42Å; L29-F33 PolarHBondContact O-N 3.06Å; L29-K106 HydrophobicContact CD2-CD 4Å
30S57Low61.6Low50 Ų5072 Ų7235%0.3539%0.386SS..Hα-helixtrans-60.1-44.4175.9-175.70000111.2K26 Q34K26-S30 PolarHBondContact O-N 2.98Å; S30-Q34 WeakPolarHBondContact O-CB 3.45Å; S30-Q34 PolarHBondContact O-N 2.83Å
31A57.5Low59.7Low53 Ų5374.3 Ų74.344%0.43839%0.394SS..Hα-helixtrans-71.5-31178.300000112.6S27 L29 S35S27-A31 WeakPolarHBondContact O-CB 3.47Å; S27-A31 PolarHBondContact O-N 3.19Å; L29-A31 VanDerWaalsContact C-N 3.33Å; L29-A31 PolarHBondContact O-N 3.28Å; A31-S35 WeakPolarHBondContact O-CA 3.28Å; A31-S35 WeakPolarHBondContact O-CB 3.36Å; A31-S35 PolarHBondContact O-N 3.24Å; A31-S35 PolarHBondContact O-OG 2.88Å
32Y60.3Low58.5Low140 Ų14076.1 Ų76.155%0.54940%0.4SS..Hα-helixtrans-72.6-42.9175.6173.4-95.7000110.7S28 L29 S35 S36S28-Y32 WeakPolarHBondContact O-CA 3.09Å; S28-Y32 WeakPolarHBondContact O-CB 3.4Å; S28-Y32 PolarHBondContact O-N 2.76Å; L29-Y32 PolarHBondContact O-N 3.19Å; Y32-S35 WeakPolarHBondContact CA-OG 3.37Å; Y32-S35 PolarHBondContact O-N 3.04Å; Y32-S35 PolarHBondContact O-OG 2.7Å; Y32-S35 VanDerWaalsContact O-OG 3.09Å; Y32-S36 WeakPolarHBondContact O-CB 3.18Å; Y32-S36 PolarHBondContact O-N 3.24Å
33F59.1Low57.3Low31 Ų3176.6 Ų76.614%0.13640%0.403CS..Hα-helixtrans-61.4-52170.9-80.2-63.7000109.3L29 S35 S36 W37 I73 W74 L214L29-F33 HydrophobicContact CD2-CD2 4.31Å; L29-F33 HydrophobicContact CD2-CE2 3.68Å; L29-F33 HydrophobicContact CG-CD2 4.07Å; L29-F33 HydrophobicContact CG-CE2 3.73Å; L29-F33 WeakPolarHBondContact O-CB 3.35Å; L29-F33 WeakPolarHBondContact O-CD2 3.42Å; L29-F33 PolarHBondContact O-N 3.06Å; F33-S35 VanDerWaalsContact C-N 3.31Å; F33-S35 PolarHBondContact O-N 2.83Å; F33-S36 PolarHBondContact O-N 3.35Å; F33-W37 AromaticContact CD1-NE1 3.98Å; F33-W37 WeakPolarHBondContact O-CB 3.08Å; F33-W37 PolarHBondContact O-N 2.84Å; F33-I73 HydrophobicContact CZ-CG2 4.45Å; F33-W74 AromaticContact CE1-CD1 3.65Å; F33-W74 AromaticContact CE1-NE1 3.61Å; F33-W74 AromaticContact CZ-NE1 3.81Å; F33-L214 HydrophobicContact CD1-CD2 3.91Å; F33-L214 HydrophobicContact CE1-CD1 4.49Å; F33-L214 HydrophobicContact CE1-CD2 3.82Å
34Q58.6Low55.5Low103 Ų10380.4 Ų80.448%0.48142%0.418SS..Hα-helixtrans-61.6-37.4178.6-168.7169.3200112.3S30 S38S30-Q34 WeakPolarHBondContact O-CB 3.45Å; S30-Q34 PolarHBondContact O-N 2.83Å; Q34-S38 WeakPolarHBondContact O-CA 2.96Å; Q34-S38 WeakPolarHBondContact O-CB 3.37Å; Q34-S38 PolarHBondContact O-N 2.67Å; Q34-S38 PolarHBondContact O-OG 3.09Å
35S56.5Low54.6Low45 Ų4578.7 Ų78.732%0.31541%0.412SS..Hα-helixtrans-69-49.4176.874.50000110.3A31 Y32 F33 W37 S38 D39A31-S35 WeakPolarHBondContact O-CA 3.28Å; A31-S35 WeakPolarHBondContact O-CB 3.36Å; A31-S35 PolarHBondContact O-N 3.24Å; A31-S35 PolarHBondContact O-OG 2.88Å; Y32-S35 WeakPolarHBondContact CA-OG 3.37Å; Y32-S35 PolarHBondContact O-N 3.04Å; Y32-S35 PolarHBondContact O-OG 2.7Å; Y32-S35 VanDerWaalsContact O-OG 3.09Å; F33-S35 VanDerWaalsContact C-N 3.31Å; F33-S35 PolarHBondContact O-N 2.83Å; S35-W37 VanDerWaalsContact C-N 3.25Å; S35-W37 PolarHBondContact O-N 3.28Å; S35-S38 WeakPolarHBondContact CA-OG 3.37Å; S35-S38 CarbonylContact O-C 3.49Å; S35-S38 PolarHBondContact O-N 3.34Å; S35-S38 VanDerWaalsContact O-N 3.09Å; S35-S38 PolarHBondContact O-OG 2.8Å; S35-S38 VanDerWaalsContact O-OG 3.06Å; S35-D39 VanDerWaalsContact O-CB 3.29Å; S35-D39 WeakPolarHBondContact O-CB 3.43Å; S35-D39 PolarHBondContact O-N 3.09Å
36S58.7Low54.7Low29 Ų2981.5 Ų81.520%0.20342%0.42CS..Hα-helixtrans-59.1-36.7178.7-169.30000112.3Y32 F33Y32-S36 WeakPolarHBondContact O-CB 3.18Å; Y32-S36 PolarHBondContact O-N 3.24Å; F33-S36 PolarHBondContact O-N 3.35Å
37W58.2Low55.1Low42 Ų4278.8 Ų78.816%0.15941%0.41CS..Hα-helixtrans-81.6-31.2174.8-64.5120.6000113.2F33 S35 L40 E41 I78 L214 R218F33-W37 AromaticContact CD1-NE1 3.98Å; F33-W37 WeakPolarHBondContact O-CB 3.08Å; F33-W37 PolarHBondContact O-N 2.84Å; S35-W37 VanDerWaalsContact C-N 3.25Å; S35-W37 PolarHBondContact O-N 3.28Å; W37-L40 HydrophobicContact CD2-CD1 4.37Å; W37-L40 HydrophobicContact CE3-CD1 3.37Å; W37-L40 HydrophobicContact CZ3-CD1 3.65Å; W37-L40 WeakPolarHBondContact O-CB 3.39Å; W37-L40 PolarHBondContact O-N 3.35Å; W37-E41 PolarHBondContact O-N 2.91Å; W37-I78 HydrophobicContact CE3-CG2 4.21Å; W37-I78 HydrophobicContact CH2-CG2 3.14Å; W37-I78 HydrophobicContact CZ2-CG2 3.45Å; W37-I78 VanDerWaalsContact CZ2-CG2 3.45Å; W37-I78 HydrophobicContact CZ3-CG2 3.55Å; W37-L214 HydrophobicContact CH2-CD1 4.26Å; W37-L214 HydrophobicContact CZ2-CD1 3.59Å; W37-L214 HydrophobicContact CZ2-CG 4.4Å; W37-R218 HydrophobicContact CH2-CB 4.39Å; W37-R218 HydrophobicContact CZ3-CG 4.3Å
38S52.1Low56Low35 Ų3579.5 Ų79.525%0.24541%0.413CS..Hα-helixtrans-77.9-3117672.80000112.9Q34 S35 L40 E41 K42Q34-S38 WeakPolarHBondContact O-CA 2.96Å; Q34-S38 WeakPolarHBondContact O-CB 3.37Å; Q34-S38 PolarHBondContact O-N 2.67Å; Q34-S38 PolarHBondContact O-OG 3.09Å; S35-S38 WeakPolarHBondContact CA-OG 3.37Å; S35-S38 CarbonylContact O-C 3.49Å; S35-S38 PolarHBondContact O-N 3.34Å; S35-S38 VanDerWaalsContact O-N 3.09Å; S35-S38 PolarHBondContact O-OG 2.8Å; S35-S38 VanDerWaalsContact O-OG 3.06Å; S38-L40 PolarHBondContact O-N 3.45Å; S38-E41 PolarHBondContact O-N 2.9Å; S38-K42 WeakPolarHBondContact O-CB 3.43Å; S38-K42 WeakPolarHBondContact O-CG 2.96Å; S38-K42 PolarHBondContact O-N 3.31Å
39D53.6Low57.4Low77 Ų7780 Ų8041%0.41241%0.408SS..Hα-helixtrans-64.6-23.2170.1-71.3-25.6000110.3S35 N43S35-D39 VanDerWaalsContact O-CB 3.29Å; S35-D39 WeakPolarHBondContact O-CB 3.43Å; S35-D39 PolarHBondContact O-N 3.09Å; D39-N43 WeakPolarHBondContact O-CB 3.11Å; D39-N43 VanDerWaalsContact O-CG 3.23Å; D39-N43 PolarHBondContact O-N 2.72Å; D39-N43 PolarHBondContact O-ND2 2.72Å
40L47.5Very low59Low6 Ų680.3 Ų80.33%0.03141%0.409CS..Hα-helixtrans-75.9-44.2172.4-117.5165.4000112.8W37 S38 K42 N43 T45 R218W37-L40 HydrophobicContact CD2-CD1 4.37Å; W37-L40 HydrophobicContact CE3-CD1 3.37Å; W37-L40 HydrophobicContact CZ3-CD1 3.65Å; W37-L40 WeakPolarHBondContact O-CB 3.39Å; W37-L40 PolarHBondContact O-N 3.35Å; S38-L40 PolarHBondContact O-N 3.45Å; L40-K42 VanDerWaalsContact C-N 3.31Å; L40-N43 CarbonylContact O-C 3.58Å; L40-N43 PolarHBondContact O-N 3.26Å; L40-T45 WeakPolarHBondContact CD2-O 3.29Å; L40-T45 WeakPolarHBondContact CD2-OG1 3.43Å; L40-T45 PolarHBondContact O-N 3.18Å; L40-R218 VanDerWaalsContact CD1-CD 3.48Å; L40-R218 HydrophobicContact CD1-CG 4.22Å
41E46.6Very low60.8Low134 Ų13477.9 Ų77.963%0.62639%0.393SS*.Hα-helixtrans-63.6-38.1170.6-78.3-164.9132.800111.8W37 S38W37-E41 PolarHBondContact O-N 2.91Å; S38-E41 PolarHBondContact O-N 2.9Å
42K47.5Very low62.6Low157 Ų15780.2 Ų80.268%0.68339%0.394SS*.Hα-helixtrans-71.3-36.8175.8-74.9179.9179.9174.70112.4S38 L40 H44S38-K42 WeakPolarHBondContact O-CB 3.43Å; S38-K42 WeakPolarHBondContact O-CG 2.96Å; S38-K42 PolarHBondContact O-N 3.31Å; L40-K42 VanDerWaalsContact C-N 3.31Å; K42-H44 VanDerWaalsContact C-N 3.31Å; K42-H44 PolarHBondContact O-N 3.31Å
43N46.8Very low64.4Low114 Ų11473.6 Ų73.661%0.6137%0.368SS*.THydrogen-bonded Turntrans-90.160.3173.3-68.4-49.2000111.4D39 L40 T45D39-N43 WeakPolarHBondContact O-CB 3.11Å; D39-N43 VanDerWaalsContact O-CG 3.23Å; D39-N43 PolarHBondContact O-N 2.72Å; D39-N43 PolarHBondContact O-ND2 2.72Å; L40-N43 CarbonylContact O-C 3.58Å; L40-N43 PolarHBondContact O-N 3.26Å; N43-T45 PolarHBondContact O-N 3.43Å; N43-T45 PolarHBondContact O-OG1 2.89Å
44H38.3Very low66.2Low185 Ų18572.1 Ų72.186%0.85636%0.362SS*.THydrogen-bonded Turntrans36.428.1161.5-81.3-71000119.2K42K42-H44 VanDerWaalsContact C-N 3.31Å; K42-H44 PolarHBondContact O-N 3.31Å
45T50.7Low68Low70 Ų7067.2 Ų67.243%0.42934%0.339SS..  trans-133.864.7177.345.70000108.6L40 N43 L47L40-T45 WeakPolarHBondContact CD2-O 3.29Å; L40-T45 WeakPolarHBondContact CD2-OG1 3.43Å; L40-T45 PolarHBondContact O-N 3.18Å; N43-T45 PolarHBondContact O-N 3.43Å; N43-T45 PolarHBondContact O-OG1 2.89Å; T45-L47 PolarHBondContact O-N 3.47Å; T45-L47 VanDerWaalsContact O-N 3.12Å
46K63.3Low69.9Low164 Ų16465 Ų6571%0.71332%0.324SS*.  trans-48.4123.6152-78-172.4175.7-176.20106.2P48K46-P48 WeakPolarHBondContact O-CD 3.15Å
47L68.8Low71.5Confident33 Ų3363.7 Ų63.717%0.17331%0.314CS..  trans-51118.6176.6-75170.2000107.5T45 K49 I50 I78 V221 C222T45-L47 PolarHBondContact O-N 3.47Å; T45-L47 VanDerWaalsContact O-N 3.12Å; L47-K49 PolarHBondContact O-N 2.84Å; L47-I50 HydrophobicContact CB-CG1 4.06Å; L47-I50 HydrophobicContact CD1-CG1 4.24Å; L47-I78 HydrophobicContact CD1-CG2 4.48Å; L47-V221 HydrophobicContact CD1-CG1 3.9Å; L47-V221 HydrophobicContact CD2-CG1 4.03Å; L47-C222 HydrophobicContact CD2-CB 4.41Å; L47-C222 WeakPolarHBondContact CD2-SG 3.49Å
48P78.5Confident73.3Confident85 Ų8561.7 Ų61.755%0.55231%0.307SS*.SBendtrans-63.4-28.5-17118.8-30.1000112.4K46 G225 M226K46-P48 WeakPolarHBondContact O-CD 3.15Å; P48-G225 VanDerWaalsContact CG-C 3.41Å; P48-G225 VanDerWaalsContact CG-O 3.25Å; P48-G225 WeakPolarHBondContact CG-O 3.25Å; P48-M226 HydrophobicContact CG-SD 4.03Å
49K89Confident75.2Confident63 Ų6361.9 Ų61.927%0.27430%0.303SS..  trans-148.2134.9173-176.3-171178.5-170.10108.6L47 F224L47-K49 PolarHBondContact O-N 2.84Å; K49-F224 HydrophobicContact CB-CE1 4.28Å; K49-F224 HydrophobicContact CD-CE1 3.78Å; K49-F224 HydrophobicContact CD-CZ 3.72Å; K49-F224 HydrophobicContact CG-CE1 3.82Å; K49-F224 HydrophobicContact CG-CZ 4.22Å
50I90.4Very high76.9Confident70 Ų7059.4 Ų59.436%0.35929%0.289SS..  trans-105.7126.2174.6-63167.5000107.3L47 I78L47-I50 HydrophobicContact CB-CG1 4.06Å; L47-I50 HydrophobicContact CD1-CG1 4.24Å; I50-I78 WeakPolarHBondContact CG2-O 3.22Å
51P95.1Very high78.7Confident0 Ų065.3 Ų65.30%032%0.317CS..  trans-68.4134.5174.528.6-32000109.5I54 V80 D179 L180 F224P51-I54 HydrophobicContact CB-CG1 3.9Å; P51-I54 HydrophobicContact CG-CD1 3.61Å; P51-I54 HydrophobicContact CG-CG1 3.49Å; P51-I54 VanDerWaalsContact CG-CG1 3.49Å; P51-V80 HydrophobicContact CG-CG2 4.25Å; P51-V80 WeakPolarHBondContact O-CG2 3.38Å; P51-D179 HydrophobicContact CB-CB 3.64Å; P51-L180 HydrophobicContact CB-CB 4.13Å; P51-L180 HydrophobicContact CG-CB 4.45Å; P51-L180 HydrophobicContact CG-CD2 4.34Å; P51-F224 HydrophobicContact CB-CD1 4.23Å; P51-F224 HydrophobicContact CB-CE1 3.66Å; P51-F224 HydrophobicContact CB-CZ 3.83Å; P51-F224 HydrophobicContact CG-CD1 4.11Å; P51-F224 HydrophobicContact CG-CE1 3.97Å
52Q95.8Very high80.7Confident101 Ų10164.8 Ų64.847%0.47232%0.317SS..SBendtrans-75.9-33.1172.4-70.5-60.5-35.600111.6S81 Y82 D179Q52-S81 PolarHBondContact O-N 3.14Å; Q52-S81 PolarHBondContact OE1-OG 3Å; Q52-Y82 PolarHBondContact O-N 3.43Å; Q52-D179 WeakPolarHBondContact CA-OD2 3.45Å; Q52-D179 WeakPolarHBondContact CB-OD2 3.44Å; Q52-D179 PolarHBondContact N-OD2 2.96Å
53H97.4Very high82.9Confident1 Ų158.2 Ų58.21%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-131.4117.8178.1-172.9-169000111.1Y82 S84 V175 P176 D177 V178 D179 L180H53-Y82 WeakPolarHBondContact CA-O 3.49Å; H53-Y82 VanDerWaalsContact CD2-CB 3.43Å; H53-Y82 WeakPolarHBondContact CD2-CB 3.25Å; H53-Y82 PolarHBondContact CD2-O 3.27Å; H53-S84 PolarHBondContact CE1-OG 2.8Å; H53-S84 PolarHBondContact NE2-OG 3.16Å; H53-V175 WeakPolarHBondContact CE1-CG1 3.16Å; H53-P176 HydrophobicContact CB-CG 4.33Å; H53-P176 PolarHBondContact CE1-O 3.11Å; H53-P176 PolarHBondContact ND1-O 2.81Å; H53-D177 WeakPolarHBondContact CB-O 3.45Å; H53-D177 PolarHBondContact ND1-O 2.91Å; H53-V178 VanDerWaalsContact CE1-CG2 3.49Å; H53-V178 WeakPolarHBondContact CE1-CG2 3.34Å; H53-D179 PolarHBondContact N-OD2 2.7Å; H53-D179 PolarHBondContact O-N 3.4Å; H53-L180 PolarHBondContact O-N 2.67Å
54I97.4Very high85.2Confident0 Ų055 Ų550%028%0.275CS..EExtended strand (participates in β ladder)trans-103.7140171.5-58.8-177.6000109.6P51 F56 I78 V80 Y82 L83 S84 L180 I182 F217P51-I54 HydrophobicContact CB-CG1 3.9Å; P51-I54 HydrophobicContact CG-CD1 3.61Å; P51-I54 HydrophobicContact CG-CG1 3.49Å; P51-I54 VanDerWaalsContact CG-CG1 3.49Å; I54-F56 HydrophobicContact CG2-CD2 3.85Å; I54-F56 HydrophobicContact CG2-CE2 3.63Å; I54-I78 HydrophobicContact CD1-CD1 4.4Å; I54-V80 HydrophobicContact CD1-CG1 4.48Å; I54-V80 HydrophobicContact CD1-CG2 3.58Å; I54-V80 HydrophobicContact CG1-CG1 4.17Å; I54-V80 HydrophobicContact CG1-CG2 3.95Å; I54-Y82 PolarHBondContact N-O 2.81Å; I54-L83 HydrophobicContact CB-CD1 4.34Å; I54-L83 HydrophobicContact CG2-CD1 4.37Å; I54-L83 CarbonylContact O-C 3.53Å; I54-L83 VanDerWaalsContact O-CA 3.26Å; I54-L83 WeakPolarHBondContact O-CA 3.23Å; I54-S84 PolarHBondContact O-N 2.91Å; I54-L180 CarbonylContact C-O 3.53Å; I54-L180 VanDerWaalsContact CA-O 3.29Å; I54-L180 WeakPolarHBondContact CA-O 3.04Å; I54-L180 HydrophobicContact CD1-CD2 4.38Å; I54-L180 HydrophobicContact CG1-CB 4.46Å; I54-L180 HydrophobicContact CG1-CD2 4.46Å; I54-I182 HydrophobicContact CG2-CD1 3.92Å; I54-I182 HydrophobicContact CG2-CG1 4.36Å; I54-F217 HydrophobicContact CD1-CE2 4.47Å; I54-F217 HydrophobicContact CD1-CZ 4.23Å
55S95.8Very high87.9Confident0 Ų046.6 Ų46.60%024%0.237CC..EExtended strand (participates in β ladder)trans-115.1136.6169.8-174.30000110.5S84 L180 T181 I182 L193S55-S84 CarbonylContact C-O 3.56Å; S55-S84 VanDerWaalsContact CA-O 3.32Å; S55-S84 WeakPolarHBondContact CA-O 3.42Å; S55-L180 PolarHBondContact N-O 3.08Å; S55-T181 CarbonylContact O-C 3.45Å; S55-T181 WeakPolarHBondContact O-CA 3.38Å; S55-I182 PolarHBondContact O-N 3Å; S55-L193 WeakPolarHBondContact OG-CD2 3.27Å
56F95.5Very high90.1Very high0 Ų046 Ų460%023%0.23CC..EExtended strand (participates in β ladder)trans-113.5124.5169-80-104.7000109.9I54 I58 L71 L83 S84 L85 S86 I182 F217I54-F56 HydrophobicContact CG2-CD2 3.85Å; I54-F56 HydrophobicContact CG2-CE2 3.63Å; F56-I58 HydrophobicContact CB-CG1 4.47Å; F56-L71 HydrophobicContact CD1-CD1 3.85Å; F56-L71 HydrophobicContact CD2-CD1 4.48Å; F56-L71 HydrophobicContact CE1-CD1 3.77Å; F56-L71 HydrophobicContact CE1-CD2 3.8Å; F56-L71 HydrophobicContact CE1-CG 4.42Å; F56-L71 HydrophobicContact CE2-CD1 4.38Å; F56-L71 HydrophobicContact CE2-CD2 4.42Å; F56-L71 HydrophobicContact CG-CD1 4.21Å; F56-L71 HydrophobicContact CZ-CD1 4.04Å; F56-L71 HydrophobicContact CZ-CD2 3.63Å; F56-L71 HydrophobicContact CZ-CG 4.34Å; F56-L83 HydrophobicContact CD2-CD1 3.6Å; F56-L83 HydrophobicContact CE2-CD1 3.99Å; F56-S84 PolarHBondContact N-O 2.87Å; F56-L85 HydrophobicContact CB-CD2 3.85Å; F56-L85 HydrophobicContact CD2-CD2 4.24Å; F56-L85 HydrophobicContact CG-CD2 4.28Å; F56-S86 PolarHBondContact O-N 2.79Å; F56-I182 WeakPolarHBondContact CA-O 3.29Å; F56-I182 HydrophobicContact CD1-CB 3.95Å; F56-I182 HydrophobicContact CD1-CG2 3.98Å; F56-I182 HydrophobicContact CE1-CB 3.92Å; F56-I182 HydrophobicContact CE1-CD1 3.93Å; F56-I182 HydrophobicContact CE1-CG2 3.74Å; F56-I182 HydrophobicContact CE2-CD1 3.81Å; F56-I182 HydrophobicContact CG-CB 4.3Å; F56-I182 HydrophobicContact CZ-CB 4.27Å; F56-I182 HydrophobicContact CZ-CD1 3.45Å; F56-I182 VanDerWaalsContact CZ-CD1 3.45Å; F56-I182 HydrophobicContact CZ-CG1 4.42Å; F56-I182 HydrophobicContact CZ-CG2 4.39Å; F56-F217 HydrophobicContact CE2-CE2 4.36Å; F56-F217 HydrophobicContact CZ-CD2 4.16Å; F56-F217 AromaticContact CZ-CE2 3.94Å; F56-F217 HydrophobicContact CZ-CE2 3.94Å
57V94Very high91.6Very high0 Ų039.5 Ų39.50%020%0.203CC..EExtended strand (participates in β ladder)trans-106.8109.3171.9-174.10000108F59 T181 I182 C184 L193V57-F59 HydrophobicContact CB-CE2 4.23Å; V57-F59 HydrophobicContact CG1-CD2 4.2Å; V57-F59 HydrophobicContact CG1-CE2 3.51Å; V57-F59 HydrophobicContact CG1-CZ 3.75Å; V57-T181 HydrophobicContact CG2-CG2 3.95Å; V57-I182 PolarHBondContact N-O 3.09Å; V57-C184 PolarHBondContact O-N 3.39Å; V57-L193 HydrophobicContact CG2-CB 4.31Å; V57-L193 HydrophobicContact CG2-CD2 3.83Å
58I94.3Very high92.9Very high1 Ų137.9 Ų37.91%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-99.6109.9-172.9-52.4173.8000109.6F56 E60 F63 I68 S86 D87 I92 V209F56-I58 HydrophobicContact CB-CG1 4.47Å; I58-E60 HydrophobicContact CG2-CB 4.19Å; I58-F63 HydrophobicContact CB-CE1 4.4Å; I58-F63 HydrophobicContact CD1-CD2 4.5Å; I58-F63 HydrophobicContact CD1-CE2 4.3Å; I58-F63 HydrophobicContact CD1-CZ 4.42Å; I58-F63 HydrophobicContact CG2-CD1 3.61Å; I58-F63 HydrophobicContact CG2-CE1 3.66Å; I58-F63 HydrophobicContact CG2-CG 4.27Å; I58-F63 HydrophobicContact CG2-CZ 4.34Å; I58-I68 HydrophobicContact CD1-CD1 3.53Å; I58-S86 WeakPolarHBondContact CB-O 3.32Å; I58-S86 PolarHBondContact N-O 2.79Å; I58-D87 HydrophobicContact CB-CB 4.12Å; I58-D87 VanDerWaalsContact O-CA 3.27Å; I58-D87 WeakPolarHBondContact O-CA 3.11Å; I58-D87 WeakPolarHBondContact O-CB 3.33Å; I58-I92 HydrophobicContact CD1-CD1 4.38Å; I58-V209 HydrophobicContact CD1-CG2 4.09Å; I58-V209 HydrophobicContact CG1-CG2 3.99Å; I58-V209 HydrophobicContact CG2-CG2 4.38Å
59F92.6Very high93.8Very high39 Ų3933.9 Ų33.917%0.17117%0.168CC..  trans-90.2-11.1176.2-71.2-83.3000113.6V57 M88 C184 S187 S189 S191V57-F59 HydrophobicContact CB-CE2 4.23Å; V57-F59 HydrophobicContact CG1-CD2 4.2Å; V57-F59 HydrophobicContact CG1-CE2 3.51Å; V57-F59 HydrophobicContact CG1-CZ 3.75Å; F59-M88 HydrophobicContact CD1-CG 3.66Å; F59-M88 HydrophobicContact CD1-SD 3.98Å; F59-M88 HydrophobicContact CE1-CG 3.97Å; F59-M88 HydrophobicContact CE1-SD 3.62Å; F59-M88 HydrophobicContact CZ-SD 4.45Å; F59-C184 WeakPolarHBondContact CB-O 3.49Å; F59-C184 PolarHBondContact N-O 3.04Å; F59-S187 VanDerWaalsContact CD1-CB 3.41Å; F59-S187 WeakPolarHBondContact CE1-OG 3.32Å; F59-S187 VanDerWaalsContact CG-CB 3.49Å; F59-S189 VanDerWaalsContact CE2-O 3.3Å; F59-S189 WeakPolarHBondContact CE2-O 3.2Å; F59-S189 WeakPolarHBondContact CZ-O 3.37Å; F59-S191 WeakPolarHBondContact CE1-OG 3.39Å; F59-S191 WeakPolarHBondContact CZ-OG 3.27Å
60E90.2Very high94Very high25 Ų2532.9 Ų32.912%0.11717%0.166CC..  trans-72.9137.6178.2-63.3179.6-100.700111.2I58 I62 F63 S208 V209 R210I58-E60 HydrophobicContact CG2-CB 4.19Å; E60-I62 VanDerWaalsContact C-N 3.32Å; E60-F63 WeakPolarHBondContact O-CD1 3.49Å; E60-F63 WeakPolarHBondContact O-CE1 3.46Å; E60-S208 VanDerWaalsContact OE1-C 3.32Å; E60-S208 WeakPolarHBondContact OE1-CA 3.46Å; E60-S208 WeakPolarHBondContact OE1-CB 3.45Å; E60-S208 PolarHBondContact OE1-OG 3.03Å; E60-S208 PolarHBondContact OE2-OG 3.12Å; E60-V209 PolarHBondContact OE1-N 2.72Å; E60-R210 IonicContact OE2-CZ 2.7Å; E60-R210 VanDerWaalsContact OE2-CZ 3.27Å; E60-R210 IonicContact OE2-NH1 3.62Å; E60-R210 PolarHBondContact OE2-NH1 3.03Å; E60-R210 IonicContact OE2-NH2 3.27Å; E60-R210 PolarHBondContact OE2-NH2 3.31Å
61E85.5Confident94.3Very high129 Ų12929.6 Ų29.660%0.60315%0.149SC*.SBendtrans-74.4-25.9178.3-54.4-162.5153.200113K89E61-K89 WeakPolarHBondContact OE1-CE 3.25Å; E61-K89 IonicContact OE1-NZ 3.61Å; E61-K89 PolarHBondContact OE1-NZ 3.01Å; E61-K89 IonicContact OE2-NZ 2.69Å; E61-K89 PolarHBondContact OE2-NZ 2.87Å
62I88.4Confident94.3Very high123 Ų12329.6 Ų29.663%0.63115%0.149SC*.  trans-123.7112.6-171.8-54.8174.7000109.7E60 R210E60-I62 VanDerWaalsContact C-N 3.32Å; I62-R210 PolarHBondContact O-NE 3.18Å; I62-R210 PolarHBondContact O-NH2 2.97Å
63F92.9Very high94.2Very high20 Ų2025.3 Ų25.39%0.08813%0.129CC..  trans-147.3155.9170.651-87.8000108.9I58 E60 I68 D87 N91 I92 L95I58-F63 HydrophobicContact CB-CE1 4.4Å; I58-F63 HydrophobicContact CD1-CD2 4.5Å; I58-F63 HydrophobicContact CD1-CE2 4.3Å; I58-F63 HydrophobicContact CD1-CZ 4.42Å; I58-F63 HydrophobicContact CG2-CD1 3.61Å; I58-F63 HydrophobicContact CG2-CE1 3.66Å; I58-F63 HydrophobicContact CG2-CG 4.27Å; I58-F63 HydrophobicContact CG2-CZ 4.34Å; E60-F63 WeakPolarHBondContact O-CD1 3.49Å; E60-F63 WeakPolarHBondContact O-CE1 3.46Å; F63-I68 HydrophobicContact CD2-CD1 3.84Å; F63-I68 HydrophobicContact CD2-CG1 3.88Å; F63-I68 HydrophobicContact CE2-CD1 4.16Å; F63-I68 HydrophobicContact CE2-CG1 4.23Å; F63-D87 HydrophobicContact CE1-CB 4.03Å; F63-D87 HydrophobicContact CZ-CB 3.87Å; F63-N91 HydrophobicContact CE1-CB 4.38Å; F63-N91 HydrophobicContact CZ-CB 3.91Å; F63-I92 HydrophobicContact CE2-CD1 3.85Å; F63-I92 HydrophobicContact CZ-CD1 4.5Å; F63-L95 HydrophobicContact CD2-CD1 3.65Å; F63-L95 HydrophobicContact CE2-CD1 3.48Å; F63-L95 VanDerWaalsContact CE2-CD1 3.48Å; F63-L95 HydrophobicContact CZ-CD1 4.45Å
64S94.7Very high94Very high47 Ų4726.1 Ų26.133%0.32913%0.132SC..  trans-101.2156.4-17675.40000112.2Q66 D67 I68S64-Q66 PolarHBondContact O-N 3.28Å; S64-Q66 PolarHBondContact OG-N 3.5Å; S64-D67 WeakPolarHBondContact CB-OD2 3.36Å; S64-D67 PolarHBondContact N-OD2 2.57Å; S64-D67 PolarHBondContact O-N 2.96Å; S64-D67 VanDerWaalsContact O-N 3.16Å; S64-D67 PolarHBondContact OG-N 2.89Å; S64-D67 VanDerWaalsContact OG-N 3.12Å; S64-D67 PolarHBondContact OG-OD2 3.28Å; S64-I68 PolarHBondContact O-N 3.4Å
65A96.3Very high93.9Very high8 Ų826.1 Ų26.17%0.06613%0.132CC..Hα-helixtrans-59.9-27.9170.500000112.5A69 L95 V99 F102A65-A69 VanDerWaalsContact O-CB 3.25Å; A65-A69 WeakPolarHBondContact O-CB 3.49Å; A65-A69 PolarHBondContact O-N 3.04Å; A65-L95 HydrophobicContact CB-CB 4.46Å; A65-L95 HydrophobicContact CB-CD2 4.24Å; A65-V99 HydrophobicContact CB-CG2 3.74Å; A65-F102 HydrophobicContact CB-CD2 3.84Å; A65-F102 HydrophobicContact CB-CE2 3.78Å
66Q95.3Very high93.7Very high57 Ų5726.1 Ų26.127%0.26613%0.132SC..Hα-helixtrans-68.1-40.7175.3-178.762.462.500111.9S64 I68 A69 N70 F102S64-Q66 PolarHBondContact O-N 3.28Å; S64-Q66 PolarHBondContact OG-N 3.5Å; Q66-I68 VanDerWaalsContact C-N 3.34Å; Q66-A69 PolarHBondContact O-N 3.21Å; Q66-N70 PolarHBondContact NE2-OD1 3.31Å; Q66-N70 PolarHBondContact O-N 3.43Å; Q66-N70 PolarHBondContact O-ND2 3.5Å; Q66-F102 HydrophobicContact CB-CE2 4.41Å; Q66-F102 HydrophobicContact CB-CZ 4.38Å; Q66-F102 VanDerWaalsContact OE1-CE1 3.3Å
67D95.1Very high93.3Very high27 Ų2727.2 Ų27.214%0.14414%0.141CC..Hα-helixtrans-62-45.6176.7-59-57.3000110.3S64 N70 L71 V209S64-D67 WeakPolarHBondContact CB-OD2 3.36Å; S64-D67 PolarHBondContact N-OD2 2.57Å; S64-D67 PolarHBondContact O-N 2.96Å; S64-D67 VanDerWaalsContact O-N 3.16Å; S64-D67 PolarHBondContact OG-N 2.89Å; S64-D67 VanDerWaalsContact OG-N 3.12Å; S64-D67 PolarHBondContact OG-OD2 3.28Å; D67-N70 WeakPolarHBondContact O-CB 3.39Å; D67-N70 PolarHBondContact O-N 3.33Å; D67-L71 PolarHBondContact O-N 2.85Å; D67-L71 VanDerWaalsContact O-N 3.14Å; D67-V209 HydrophobicContact CB-CG1 3.71Å
68I97Very high93Very high0 Ų027.9 Ų27.90%015%0.145CC..Hα-helixtrans-64.9-42.9177.2-56.8-57.2000111.7I58 F63 S64 Q66 N70 L71 V72 L85 I92 V99 V209I58-I68 HydrophobicContact CD1-CD1 3.53Å; F63-I68 HydrophobicContact CD2-CD1 3.84Å; F63-I68 HydrophobicContact CD2-CG1 3.88Å; F63-I68 HydrophobicContact CE2-CD1 4.16Å; F63-I68 HydrophobicContact CE2-CG1 4.23Å; S64-I68 PolarHBondContact O-N 3.4Å; Q66-I68 VanDerWaalsContact C-N 3.34Å; I68-N70 VanDerWaalsContact C-N 3.28Å; I68-N70 PolarHBondContact O-N 3.44Å; I68-L71 HydrophobicContact CD1-CD1 4.32Å; I68-L71 WeakPolarHBondContact O-CB 3.35Å; I68-L71 PolarHBondContact O-N 3.46Å; I68-L71 VanDerWaalsContact O-N 3.14Å; I68-V72 WeakPolarHBondContact O-CG2 3.5Å; I68-V72 PolarHBondContact O-N 3.42Å; I68-V72 VanDerWaalsContact O-N 3.08Å; I68-L85 HydrophobicContact CG2-CD1 3.54Å; I68-I92 HydrophobicContact CD1-CD1 3.8Å; I68-I92 HydrophobicContact CG1-CD1 3.85Å; I68-I92 HydrophobicContact CG2-CD1 4.05Å; I68-V99 HydrophobicContact CB-CG2 3.8Å; I68-V99 HydrophobicContact CG2-CG1 4.12Å; I68-V99 HydrophobicContact CG2-CG2 3.8Å; I68-V209 HydrophobicContact CD1-CG1 4.15Å
69A96.1Very high92.8Very high0 Ų029.2 Ų29.20%016%0.159CC..Hα-helixtrans-59.7-39.7176.300000111.9A65 Q66 V72 I73 V99 F102 I103A65-A69 VanDerWaalsContact O-CB 3.25Å; A65-A69 WeakPolarHBondContact O-CB 3.49Å; A65-A69 PolarHBondContact O-N 3.04Å; Q66-A69 PolarHBondContact O-N 3.21Å; A69-V72 PolarHBondContact O-N 2.86Å; A69-I73 WeakPolarHBondContact O-CD1 3.35Å; A69-I73 VanDerWaalsContact O-CG1 3.28Å; A69-I73 WeakPolarHBondContact O-CG1 3.44Å; A69-I73 PolarHBondContact O-N 3.44Å; A69-V99 HydrophobicContact CB-CG1 4.28Å; A69-F102 HydrophobicContact CB-CB 3.7Å; A69-I103 HydrophobicContact CB-CD1 4.4Å; A69-I103 HydrophobicContact CB-CG1 3.85Å
70N94.5Very high92.8Very high43 Ų4327.4 Ų27.423%0.2315%0.151CC..Hα-helixtrans-61.5-43.9174.6-72-21.6000111.6Q66 D67 I68 V72 I73 W74Q66-N70 PolarHBondContact NE2-OD1 3.31Å; Q66-N70 PolarHBondContact O-N 3.43Å; Q66-N70 PolarHBondContact O-ND2 3.5Å; D67-N70 WeakPolarHBondContact O-CB 3.39Å; D67-N70 PolarHBondContact O-N 3.33Å; I68-N70 VanDerWaalsContact C-N 3.28Å; I68-N70 PolarHBondContact O-N 3.44Å; N70-V72 PolarHBondContact O-N 2.96Å; N70-I73 PolarHBondContact O-N 3.34Å; N70-W74 HydrophobicContact CB-CD2 4.45Å; N70-W74 HydrophobicContact CB-CH2 3.98Å; N70-W74 HydrophobicContact CB-CZ2 3.69Å; N70-W74 WeakPolarHBondContact O-CB 3.28Å; N70-W74 VanDerWaalsContact O-CD2 3.31Å; N70-W74 PolarHBondContact O-N 2.97Å
71L95.9Very high93.1Very high1 Ų128.1 Ų28.11%0.00516%0.159CC..Hα-helixtrans-57.6-46.5175.5-66.1-179.6000112F56 D67 I68 I73 W74 C75 V209 L212F56-L71 HydrophobicContact CD1-CD1 3.85Å; F56-L71 HydrophobicContact CD2-CD1 4.48Å; F56-L71 HydrophobicContact CE1-CD1 3.77Å; F56-L71 HydrophobicContact CE1-CD2 3.8Å; F56-L71 HydrophobicContact CE1-CG 4.42Å; F56-L71 HydrophobicContact CE2-CD1 4.38Å; F56-L71 HydrophobicContact CE2-CD2 4.42Å; F56-L71 HydrophobicContact CG-CD1 4.21Å; F56-L71 HydrophobicContact CZ-CD1 4.04Å; F56-L71 HydrophobicContact CZ-CD2 3.63Å; F56-L71 HydrophobicContact CZ-CG 4.34Å; D67-L71 PolarHBondContact O-N 2.85Å; D67-L71 VanDerWaalsContact O-N 3.14Å; I68-L71 HydrophobicContact CD1-CD1 4.32Å; I68-L71 WeakPolarHBondContact O-CB 3.35Å; I68-L71 PolarHBondContact O-N 3.46Å; I68-L71 VanDerWaalsContact O-N 3.14Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 PolarHBondContact O-N 3.33Å; L71-W74 HydrophobicContact CD2-CE3 3.95Å; L71-W74 HydrophobicContact CD2-CZ3 3.92Å; L71-W74 PolarHBondContact O-N 3.31Å; L71-C75 WeakPolarHBondContact O-CB 3.49Å; L71-C75 PolarHBondContact O-N 3.25Å; L71-C75 PolarHBondContact O-SG 3.02Å; L71-V209 HydrophobicContact CD1-CG1 4.03Å; L71-V209 HydrophobicContact CD1-CG2 4.32Å; L71-L212 HydrophobicContact CD2-CD2 3.82Å
72V96.1Very high93.6Very high0 Ų025.9 Ų25.90%015%0.145CC..Hα-helixtrans-59.1-47.1177.8178.70000110.7I68 A69 N70 W74 C75 S76 L83 I103 Y122 I132 V134I68-V72 WeakPolarHBondContact O-CG2 3.5Å; I68-V72 PolarHBondContact O-N 3.42Å; I68-V72 VanDerWaalsContact O-N 3.08Å; A69-V72 PolarHBondContact O-N 2.86Å; N70-V72 PolarHBondContact O-N 2.96Å; V72-W74 PolarHBondContact O-N 3.29Å; V72-C75 PolarHBondContact O-N 2.93Å; V72-S76 WeakPolarHBondContact O-CB 3.22Å; V72-S76 PolarHBondContact O-N 3.15Å; V72-L83 HydrophobicContact CB-CD2 4.31Å; V72-L83 HydrophobicContact CG2-CD2 3.79Å; V72-I103 HydrophobicContact CB-CD1 3.75Å; V72-I103 HydrophobicContact CG1-CD1 3.71Å; V72-I103 HydrophobicContact CG2-CD1 3.94Å; V72-Y122 HydrophobicContact CG1-CD2 3.78Å; V72-Y122 HydrophobicContact CG1-CE2 4.16Å; V72-Y122 HydrophobicContact CG1-CG 4.23Å; V72-I132 HydrophobicContact CG1-CG2 3.86Å; V72-V134 HydrophobicContact CB-CG2 4.48Å; V72-V134 HydrophobicContact CG1-CG2 3.73Å; V72-V134 HydrophobicContact CG2-CG1 4.39Å; V72-V134 HydrophobicContact CG2-CG2 3.94Å
73I92.5Very high94.1Very high11 Ų1120 Ų206%0.05612%0.115CC..Hα-helixtrans-64.5-40.7180-68164.9000111.1F33 A69 N70 L71 S76 A77 K106 Y108F33-I73 HydrophobicContact CZ-CG2 4.45Å; A69-I73 WeakPolarHBondContact O-CD1 3.35Å; A69-I73 VanDerWaalsContact O-CG1 3.28Å; A69-I73 WeakPolarHBondContact O-CG1 3.44Å; A69-I73 PolarHBondContact O-N 3.44Å; N70-I73 PolarHBondContact O-N 3.34Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 PolarHBondContact O-N 3.33Å; I73-S76 PolarHBondContact O-N 3.42Å; I73-A77 WeakPolarHBondContact O-CB 3.48Å; I73-A77 PolarHBondContact O-N 3.47Å; I73-K106 HydrophobicContact CD1-CB 4.07Å; I73-K106 HydrophobicContact CD1-CG 3.83Å; I73-Y108 HydrophobicContact CG1-CE2 4.16Å
74W93.5Very high94.2Very high18 Ų1819 Ų197%0.06811%0.111CC..Hα-helixtrans-68.5-40.8178.8-60.2-18.4000112.2F33 N70 L71 V72 A77 I78 L212 L214 F217F33-W74 AromaticContact CE1-CD1 3.65Å; F33-W74 AromaticContact CE1-NE1 3.61Å; F33-W74 AromaticContact CZ-NE1 3.81Å; N70-W74 HydrophobicContact CB-CD2 4.45Å; N70-W74 HydrophobicContact CB-CH2 3.98Å; N70-W74 HydrophobicContact CB-CZ2 3.69Å; N70-W74 WeakPolarHBondContact O-CB 3.28Å; N70-W74 VanDerWaalsContact O-CD2 3.31Å; N70-W74 PolarHBondContact O-N 2.97Å; L71-W74 HydrophobicContact CD2-CE3 3.95Å; L71-W74 HydrophobicContact CD2-CZ3 3.92Å; L71-W74 PolarHBondContact O-N 3.31Å; V72-W74 PolarHBondContact O-N 3.29Å; W74-A77 PolarHBondContact O-N 3.02Å; W74-I78 WeakPolarHBondContact O-CG1 3.49Å; W74-I78 PolarHBondContact O-N 3.19Å; W74-I78 VanDerWaalsContact O-N 3.15Å; W74-L212 VanDerWaalsContact CH2-O 3.22Å; W74-L212 WeakPolarHBondContact CH2-O 3.24Å; W74-L212 HydrophobicContact CZ3-CB 4.48Å; W74-L212 HydrophobicContact CZ3-CD2 4.11Å; W74-L212 HydrophobicContact CZ3-CG 4.14Å; W74-L214 HydrophobicContact CB-CD1 4.26Å; W74-L214 HydrophobicContact CD2-CD1 3.89Å; W74-L214 HydrophobicContact CG-CD1 3.65Å; W74-L214 HydrophobicContact CZ2-CB 4.32Å; W74-F217 HydrophobicContact CB-CD1 3.77Å; W74-F217 HydrophobicContact CB-CE1 3.66Å; W74-F217 HydrophobicContact CB-CZ 4.39Å; W74-F217 HydrophobicContact CD2-CD1 4.47Å; W74-F217 HydrophobicContact CE3-CB 3.8Å; W74-F217 HydrophobicContact CE3-CD1 4.1Å; W74-F217 HydrophobicContact CE3-CD2 4.48Å; W74-F217 AromaticContact CE3-CG 3.87Å; W74-F217 HydrophobicContact CE3-CG 3.87Å; W74-F217 HydrophobicContact CG-CD1 4.4Å; W74-F217 HydrophobicContact CZ3-CB 4.11Å
75C94.7Very high94.3Very high0 Ų016.8 Ų16.80%010%0.095CC..Hα-helixtrans-60.9-46.3173.9-67.50000110.9L71 V72 A77 I78 G79 V80 L83 I132L71-C75 WeakPolarHBondContact O-CB 3.49Å; L71-C75 PolarHBondContact O-N 3.25Å; L71-C75 PolarHBondContact O-SG 3.02Å; V72-C75 PolarHBondContact O-N 2.93Å; C75-A77 VanDerWaalsContact C-N 3.31Å; C75-A77 PolarHBondContact O-N 2.97Å; C75-I78 VanDerWaalsContact O-CG1 3.24Å; C75-I78 WeakPolarHBondContact O-CG1 3.31Å; C75-I78 PolarHBondContact O-N 3.3Å; C75-G79 PolarHBondContact O-N 3.44Å; C75-V80 HydrophobicContact CB-CB 3.92Å; C75-V80 HydrophobicContact CB-CG1 4.17Å; C75-V80 HydrophobicContact CB-CG2 4.26Å; C75-V80 WeakPolarHBondContact O-CB 3.33Å; C75-V80 PolarHBondContact O-N 2.83Å; C75-L83 HydrophobicContact CB-CD2 4.44Å; C75-I132 HydrophobicContact CB-CD1 3.37Å
76S92.4Very high94.2Very high0 Ų016.5 Ų16.50%09%0.092CC..Hα-helixtrans-60.1-37.9173.5169.10000112.7V72 I73 I78 G79 Y108 S130V72-S76 WeakPolarHBondContact O-CB 3.22Å; V72-S76 PolarHBondContact O-N 3.15Å; I73-S76 PolarHBondContact O-N 3.42Å; S76-I78 VanDerWaalsContact C-N 3.33Å; S76-I78 PolarHBondContact O-N 2.87Å; S76-G79 PolarHBondContact O-N 3.16Å; S76-Y108 WeakPolarHBondContact CB-OH 3.5Å; S76-Y108 PolarHBondContact OG-OH 2.97Å; S76-S130 WeakPolarHBondContact CB-O 3.48Å; S76-S130 PolarHBondContact O-N 3.31Å; S76-S130 PolarHBondContact O-OG 3.47Å; S76-S130 PolarHBondContact OG-O 3.35Å
77A87.7Confident94Very high22 Ų2213.9 Ų13.918%0.1828%0.08CC..Hα-helixtrans-67.2-31.9179.200000113.5I73 W74 C75 L129I73-A77 WeakPolarHBondContact O-CB 3.48Å; I73-A77 PolarHBondContact O-N 3.47Å; W74-A77 PolarHBondContact O-N 3.02Å; C75-A77 VanDerWaalsContact C-N 3.31Å; C75-A77 PolarHBondContact O-N 2.97Å; A77-L129 HydrophobicContact CB-CD2 3.7Å
78I87.8Confident93.7Very high15 Ų1516.7 Ų16.78%0.0779%0.093CC..THydrogen-bonded Turntrans-90.60.9178.664.6167.5000113.6W37 L47 I50 I54 W74 C75 S76 V80 F217 V221W37-I78 HydrophobicContact CE3-CG2 4.21Å; W37-I78 HydrophobicContact CH2-CG2 3.14Å; W37-I78 HydrophobicContact CZ2-CG2 3.45Å; W37-I78 VanDerWaalsContact CZ2-CG2 3.45Å; W37-I78 HydrophobicContact CZ3-CG2 3.55Å; L47-I78 HydrophobicContact CD1-CG2 4.48Å; I50-I78 WeakPolarHBondContact CG2-O 3.22Å; I54-I78 HydrophobicContact CD1-CD1 4.4Å; W74-I78 WeakPolarHBondContact O-CG1 3.49Å; W74-I78 PolarHBondContact O-N 3.19Å; W74-I78 VanDerWaalsContact O-N 3.15Å; C75-I78 VanDerWaalsContact O-CG1 3.24Å; C75-I78 WeakPolarHBondContact O-CG1 3.31Å; C75-I78 PolarHBondContact O-N 3.3Å; S76-I78 VanDerWaalsContact C-N 3.33Å; S76-I78 PolarHBondContact O-N 2.87Å; I78-V80 HydrophobicContact CD1-CG2 3.59Å; I78-V80 HydrophobicContact CG1-CG2 3.67Å; I78-F217 HydrophobicContact CD1-CE1 3.99Å; I78-F217 HydrophobicContact CD1-CZ 3.99Å; I78-V221 HydrophobicContact CD1-CG1 3.95Å; I78-V221 HydrophobicContact CD1-CG2 3.92Å
79G89.2Confident93.4Very high29 Ų2922.5 Ų22.530%0.29912%0.119SC..THydrogen-bonded Turntrans86.418.9179.100000115.2C75 S76 S130C75-G79 PolarHBondContact O-N 3.44Å; S76-G79 PolarHBondContact O-N 3.16Å; G79-S130 WeakPolarHBondContact CA-OG 3.25Å
80V93.9Very high93.1Very high0 Ų022.8 Ų22.80%012%0.122CC..  trans-69.2131.1172.3170.70000109.2P51 I54 C75 I78 Y82 I132P51-V80 HydrophobicContact CG-CG2 4.25Å; P51-V80 WeakPolarHBondContact O-CG2 3.38Å; I54-V80 HydrophobicContact CD1-CG1 4.48Å; I54-V80 HydrophobicContact CD1-CG2 3.58Å; I54-V80 HydrophobicContact CG1-CG1 4.17Å; I54-V80 HydrophobicContact CG1-CG2 3.95Å; C75-V80 HydrophobicContact CB-CB 3.92Å; C75-V80 HydrophobicContact CB-CG1 4.17Å; C75-V80 HydrophobicContact CB-CG2 4.26Å; C75-V80 WeakPolarHBondContact O-CB 3.33Å; C75-V80 PolarHBondContact O-N 2.83Å; I78-V80 HydrophobicContact CD1-CG2 3.59Å; I78-V80 HydrophobicContact CG1-CG2 3.67Å; V80-Y82 WeakPolarHBondContact CG1-O 3.43Å; V80-I132 HydrophobicContact CB-CD1 4.39Å; V80-I132 HydrophobicContact CG1-CD1 4.14Å
81S95.3Very high93.1Very high41 Ų4123.3 Ų23.329%0.28712%0.124SC..  trans-86.8-33.9-178.1-63.60000112.5Q52 T133Q52-S81 PolarHBondContact O-N 3.14Å; Q52-S81 PolarHBondContact OE1-OG 3Å; S81-T133 PolarHBondContact O-N 2.79Å
82Y97.1Very high92.9Very high81 Ų8123.2 Ų23.232%0.31812%0.124SC..EExtended strand (participates in β ladder)trans-131.7138.5-176.9-66.5-93.3000112Q52 H53 I54 V80 T133 P176Q52-Y82 PolarHBondContact O-N 3.43Å; H53-Y82 WeakPolarHBondContact CA-O 3.49Å; H53-Y82 VanDerWaalsContact CD2-CB 3.43Å; H53-Y82 WeakPolarHBondContact CD2-CB 3.25Å; H53-Y82 PolarHBondContact CD2-O 3.27Å; I54-Y82 PolarHBondContact N-O 2.81Å; V80-Y82 WeakPolarHBondContact CG1-O 3.43Å; Y82-T133 CarbonylContact C-O 3.57Å; Y82-T133 WeakPolarHBondContact CA-O 3.18Å; Y82-T133 HydrophobicContact CD1-CG2 3.99Å; Y82-T133 HydrophobicContact CE1-CG2 3.98Å; Y82-P176 HydrophobicContact CD1-CG 4.04Å; Y82-P176 HydrophobicContact CD2-CG 3.6Å; Y82-P176 HydrophobicContact CE1-CG 4.3Å; Y82-P176 HydrophobicContact CE2-CG 3.89Å; Y82-P176 HydrophobicContact CG-CG 3.69Å
83L97.5Very high92.8Very high0 Ų026.1 Ų26.10%014%0.139CC..EExtended strand (participates in β ladder)trans-131.7120.4173.6171.761.8000109.4I54 F56 V72 C75 L85 I132 T133 V134 N135I54-L83 HydrophobicContact CB-CD1 4.34Å; I54-L83 HydrophobicContact CG2-CD1 4.37Å; I54-L83 CarbonylContact O-C 3.53Å; I54-L83 VanDerWaalsContact O-CA 3.26Å; I54-L83 WeakPolarHBondContact O-CA 3.23Å; F56-L83 HydrophobicContact CD2-CD1 3.6Å; F56-L83 HydrophobicContact CE2-CD1 3.99Å; V72-L83 HydrophobicContact CB-CD2 4.31Å; V72-L83 HydrophobicContact CG2-CD2 3.79Å; C75-L83 HydrophobicContact CB-CD2 4.44Å; L83-L85 HydrophobicContact CD1-CD2 3.82Å; L83-L85 HydrophobicContact CD1-CG 4.41Å; L83-L85 HydrophobicContact CD2-CD1 4.42Å; L83-L85 HydrophobicContact CD2-CD2 4.08Å; L83-L85 HydrophobicContact CD2-CG 4.33Å; L83-L85 HydrophobicContact CG-CD2 3.9Å; L83-L85 HydrophobicContact CG-CG 4.02Å; L83-I132 HydrophobicContact CB-CD1 3.8Å; L83-I132 HydrophobicContact CB-CG1 4.33Å; L83-I132 HydrophobicContact CD2-CD1 4.46Å; L83-T133 PolarHBondContact N-O 2.75Å; L83-V134 HydrophobicContact CB-CG2 4.23Å; L83-V134 HydrophobicContact CD2-CG1 4.49Å; L83-V134 HydrophobicContact CD2-CG2 4.28Å; L83-V134 HydrophobicContact CG-CG1 4.45Å; L83-V134 CarbonylContact O-C 3.5Å; L83-V134 WeakPolarHBondContact O-CA 3.38Å; L83-N135 PolarHBondContact O-N 3.4Å
84S96Very high92.8Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-104.1132.8172.1-64.60000109.8H53 I54 S55 F56 N135H53-S84 PolarHBondContact CE1-OG 2.8Å; H53-S84 PolarHBondContact NE2-OG 3.16Å; I54-S84 PolarHBondContact O-N 2.91Å; S55-S84 CarbonylContact C-O 3.56Å; S55-S84 VanDerWaalsContact CA-O 3.32Å; S55-S84 WeakPolarHBondContact CA-O 3.42Å; F56-S84 PolarHBondContact N-O 2.87Å; S84-N135 WeakPolarHBondContact CA-O 3.47Å; S84-N135 PolarHBondContact OG-ND2 3.3Å
85L95.8Very high92.9Very high0 Ų034 Ų340%018%0.178CC..EExtended strand (participates in β ladder)trans-125.2126.7-177-59.4171.2000108.7F56 I68 L83 I92 V134 N135 Y136 L137F56-L85 HydrophobicContact CB-CD2 3.85Å; F56-L85 HydrophobicContact CD2-CD2 4.24Å; F56-L85 HydrophobicContact CG-CD2 4.28Å; I68-L85 HydrophobicContact CG2-CD1 3.54Å; L83-L85 HydrophobicContact CD1-CD2 3.82Å; L83-L85 HydrophobicContact CD1-CG 4.41Å; L83-L85 HydrophobicContact CD2-CD1 4.42Å; L83-L85 HydrophobicContact CD2-CD2 4.08Å; L83-L85 HydrophobicContact CD2-CG 4.33Å; L83-L85 HydrophobicContact CG-CD2 3.9Å; L83-L85 HydrophobicContact CG-CG 4.02Å; L85-I92 HydrophobicContact CB-CD1 4.12Å; L85-I92 HydrophobicContact CB-CG1 3.76Å; L85-I92 HydrophobicContact CD1-CD1 4.32Å; L85-V134 HydrophobicContact CD1-CG1 3.65Å; L85-V134 HydrophobicContact CG-CG1 4.2Å; L85-N135 PolarHBondContact N-O 2.92Å; L85-Y136 HydrophobicContact CD1-CD1 4.39Å; L85-Y136 HydrophobicContact CD1-CE1 4.02Å; L85-L137 PolarHBondContact O-N 2.8Å
86S94Very high92.8Very high1 Ų135.8 Ų35.81%0.00718%0.184CC..EExtended strand (participates in β ladder)trans-138.1157.5170.585.60000111.7F56 I58 L137 L193F56-S86 PolarHBondContact O-N 2.79Å; I58-S86 WeakPolarHBondContact CB-O 3.32Å; I58-S86 PolarHBondContact N-O 2.79Å; S86-L137 WeakPolarHBondContact CA-O 3.28Å; S86-L137 VanDerWaalsContact CB-O 3.31Å; S86-L137 WeakPolarHBondContact CB-O 3.45Å; S86-L193 WeakPolarHBondContact OG-CD2 3.41Å
87D92.6Very high92.9Very high2 Ų240.9 Ų40.91%0.01121%0.211CC..EExtended strand (participates in β ladder)trans-134.8166.6165.277-74.3000110.3I58 F63 K89 G90 N91 I92I58-D87 HydrophobicContact CB-CB 4.12Å; I58-D87 VanDerWaalsContact O-CA 3.27Å; I58-D87 WeakPolarHBondContact O-CA 3.11Å; I58-D87 WeakPolarHBondContact O-CB 3.33Å; F63-D87 HydrophobicContact CE1-CB 4.03Å; F63-D87 HydrophobicContact CZ-CB 3.87Å; D87-K89 VanDerWaalsContact C-N 3.26Å; D87-K89 PolarHBondContact O-N 3.35Å; D87-K89 WeakPolarHBondContact OD2-CA 3.28Å; D87-K89 PolarHBondContact OD2-N 3.28Å; D87-G90 VanDerWaalsContact OD1-CA 3.3Å; D87-G90 WeakPolarHBondContact OD1-CA 3.34Å; D87-G90 PolarHBondContact OD1-N 3.42Å; D87-G90 PolarHBondContact OD2-N 2.85Å; D87-N91 VanDerWaalsContact CG-N 3.27Å; D87-N91 PolarHBondContact OD1-N 2.99Å; D87-N91 WeakPolarHBondContact OD2-CB 2.99Å; D87-N91 PolarHBondContact OD2-N 3.18Å; D87-I92 VanDerWaalsContact OD1-CB 3.3Å; D87-I92 WeakPolarHBondContact OD1-CB 3.43Å; D87-I92 VanDerWaalsContact OD1-CG2 3.31Å; D87-I92 WeakPolarHBondContact OD1-CG2 3.45Å; D87-I92 PolarHBondContact OD1-N 2.9Å
88M89Confident93.3Very high86 Ų8642.4 Ų42.442%0.42422%0.221SC..THydrogen-bonded Turntrans-68.5-21.8-176.8-65.6-55-59.700114.4F59 S191F59-M88 HydrophobicContact CD1-CG 3.66Å; F59-M88 HydrophobicContact CD1-SD 3.98Å; F59-M88 HydrophobicContact CE1-CG 3.97Å; F59-M88 HydrophobicContact CE1-SD 3.62Å; F59-M88 HydrophobicContact CZ-SD 4.45Å; M88-S191 WeakPolarHBondContact SD-CB 3.36Å; M88-S191 PolarHBondContact SD-OG 2.83Å
89K89.3Confident93.8Very high123 Ų12341.7 Ų41.754%0.53522%0.217SC..THydrogen-bonded Turntrans-112.8-1.2-172.6-61.2-173.2-176.8-177.60113.1E61 D87 N91E61-K89 WeakPolarHBondContact OE1-CE 3.25Å; E61-K89 IonicContact OE1-NZ 3.61Å; E61-K89 PolarHBondContact OE1-NZ 3.01Å; E61-K89 IonicContact OE2-NZ 2.69Å; E61-K89 PolarHBondContact OE2-NZ 2.87Å; D87-K89 VanDerWaalsContact C-N 3.26Å; D87-K89 PolarHBondContact O-N 3.35Å; D87-K89 WeakPolarHBondContact OD2-CA 3.28Å; D87-K89 PolarHBondContact OD2-N 3.28Å; K89-N91 VanDerWaalsContact C-N 3.26Å; K89-N91 PolarHBondContact O-N 2.87Å
90G91Very high94.1Very high6 Ų640.8 Ų40.86%0.06221%0.205CC..SBendtrans7412-17500000114.3D87 I92 L93D87-G90 VanDerWaalsContact OD1-CA 3.3Å; D87-G90 WeakPolarHBondContact OD1-CA 3.34Å; D87-G90 PolarHBondContact OD1-N 3.42Å; D87-G90 PolarHBondContact OD2-N 2.85Å; G90-I92 PolarHBondContact O-N 2.77Å; G90-L93 WeakPolarHBondContact O-CB 3.41Å; G90-L93 PolarHBondContact O-N 2.86Å; G90-L93 VanDerWaalsContact O-N 3.12Å
91N92.7Very high94.1Very high53 Ų5346.3 Ų46.328%0.28323%0.231SC..Hα-helixtrans-55.8-31.4176.2-68.6-34.2000112.7F63 D87 K89 L93 H94 L95F63-N91 HydrophobicContact CE1-CB 4.38Å; F63-N91 HydrophobicContact CZ-CB 3.91Å; D87-N91 VanDerWaalsContact CG-N 3.27Å; D87-N91 PolarHBondContact OD1-N 2.99Å; D87-N91 WeakPolarHBondContact OD2-CB 2.99Å; D87-N91 PolarHBondContact OD2-N 3.18Å; K89-N91 VanDerWaalsContact C-N 3.26Å; K89-N91 PolarHBondContact O-N 2.87Å; N91-L93 PolarHBondContact O-N 2.87Å; N91-H94 PolarHBondContact O-N 3.25Å; N91-H94 VanDerWaalsContact O-N 3.16Å; N91-L95 PolarHBondContact O-N 3.42Å; N91-L95 VanDerWaalsContact O-N 3.17Å
92I93.8Very high94.1Very high0 Ų047.6 Ų47.60%023%0.231CC..Hα-helixtrans-60.2-33.3179.9-160.957.5000112I58 F63 I68 L85 D87 G90 L95 R96 Y136I58-I92 HydrophobicContact CD1-CD1 4.38Å; F63-I92 HydrophobicContact CE2-CD1 3.85Å; F63-I92 HydrophobicContact CZ-CD1 4.5Å; I68-I92 HydrophobicContact CD1-CD1 3.8Å; I68-I92 HydrophobicContact CG1-CD1 3.85Å; I68-I92 HydrophobicContact CG2-CD1 4.05Å; L85-I92 HydrophobicContact CB-CD1 4.12Å; L85-I92 HydrophobicContact CB-CG1 3.76Å; L85-I92 HydrophobicContact CD1-CD1 4.32Å; D87-I92 VanDerWaalsContact OD1-CB 3.3Å; D87-I92 WeakPolarHBondContact OD1-CB 3.43Å; D87-I92 VanDerWaalsContact OD1-CG2 3.31Å; D87-I92 WeakPolarHBondContact OD1-CG2 3.45Å; D87-I92 PolarHBondContact OD1-N 2.9Å; G90-I92 PolarHBondContact O-N 2.77Å; I92-L95 PolarHBondContact O-N 2.91Å; I92-R96 PolarHBondContact O-N 3.01Å; I92-Y136 HydrophobicContact CG1-CD1 4.03Å
93L93.6Very high94Very high60 Ų6043.7 Ų43.731%0.31422%0.216SC..Hα-helixtrans-69.8-39.9177.9-65.3179.3000111.4G90 N91 L95 R96 Y136 N138G90-L93 WeakPolarHBondContact O-CB 3.41Å; G90-L93 PolarHBondContact O-N 2.86Å; G90-L93 VanDerWaalsContact O-N 3.12Å; N91-L93 PolarHBondContact O-N 2.87Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 3.36Å; L93-R96 WeakPolarHBondContact O-CB 3.39Å; L93-R96 PolarHBondContact O-N 2.95Å; L93-Y136 VanDerWaalsContact CD2-O 3.28Å; L93-Y136 WeakPolarHBondContact CD2-O 3.33Å; L93-N138 VanDerWaalsContact CD1-CG 3.49Å; L93-N138 WeakPolarHBondContact CD1-ND2 3.47Å; L93-N138 WeakPolarHBondContact CD1-OD1 3.48Å
94H93Very high93.8Very high156 Ų15648.9 Ų48.972%0.72224%0.239SC*.Hα-helixtrans-69-28.5178.4-62.3-60.1000112.7N91 R96N91-H94 PolarHBondContact O-N 3.25Å; N91-H94 VanDerWaalsContact O-N 3.16Å; H94-R96 VanDerWaalsContact C-N 3.34Å
95L93.8Very high93.6Very high40 Ų4053.8 Ų53.821%0.20926%0.261CS..THydrogen-bonded Turntrans-81.4-10.6178.2-69176.4000113.8F63 A65 N91 I92 L93 D97 S98 V99F63-L95 HydrophobicContact CD2-CD1 3.65Å; F63-L95 HydrophobicContact CE2-CD1 3.48Å; F63-L95 VanDerWaalsContact CE2-CD1 3.48Å; F63-L95 HydrophobicContact CZ-CD1 4.45Å; A65-L95 HydrophobicContact CB-CB 4.46Å; A65-L95 HydrophobicContact CB-CD2 4.24Å; N91-L95 PolarHBondContact O-N 3.42Å; N91-L95 VanDerWaalsContact O-N 3.17Å; I92-L95 PolarHBondContact O-N 2.91Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 3.36Å; L95-D97 PolarHBondContact O-N 3.08Å; L95-S98 WeakPolarHBondContact O-CB 3.34Å; L95-S98 PolarHBondContact O-N 2.93Å; L95-S98 VanDerWaalsContact O-N 3.14Å; L95-V99 HydrophobicContact CB-CG2 4.36Å; L95-V99 WeakPolarHBondContact O-CG2 3.46Å; L95-V99 PolarHBondContact O-N 3.14Å
96R94.2Very high93.2Very high36 Ų3657.7 Ų57.714%0.13628%0.279CS..Hα-helixtrans-51.6-52-172.6177.5-176.3168.8171.57.3113.3I92 L93 H94 S98 V99 E100 K117 V120 Y136I92-R96 PolarHBondContact O-N 3.01Å; L93-R96 WeakPolarHBondContact O-CB 3.39Å; L93-R96 PolarHBondContact O-N 2.95Å; H94-R96 VanDerWaalsContact C-N 3.34Å; R96-S98 VanDerWaalsContact C-N 3.3Å; R96-S98 PolarHBondContact O-N 3.16Å; R96-V99 WeakPolarHBondContact O-CB 3.4Å; R96-V99 PolarHBondContact O-N 3.14Å; R96-E100 HydrophobicContact CG-CG 4.46Å; R96-E100 IonicContact CZ-OE1 2.92Å; R96-E100 IonicContact NE-OE1 3.57Å; R96-E100 PolarHBondContact NE-OE1 3.25Å; R96-E100 IonicContact NH2-OE1 2.88Å; R96-E100 WeakPolarHBondContact O-CG 3.44Å; R96-E100 PolarHBondContact O-N 3.3Å; R96-K117 PolarHBondContact NH1-O 3.2Å; R96-K117 PolarHBondContact NH2-O 3.04Å; R96-V120 VanDerWaalsContact CZ-CG2 3.49Å; R96-V120 VanDerWaalsContact NE-CG2 3.27Å; R96-Y136 HydrophobicContact CB-CD1 4.23Å; R96-Y136 HydrophobicContact CB-CE1 4.26Å; R96-Y136 HydrophobicContact CG-CD1 4.46Å; R96-Y136 HydrophobicContact CG-CD2 4.26Å; R96-Y136 HydrophobicContact CG-CE1 4.35Å; R96-Y136 HydrophobicContact CG-CE2 4.12Å; R96-Y136 HydrophobicContact CG-CG 4.45Å
97D94Very high93Very high107 Ų10760.8 Ų60.857%0.57230%0.295SS*.Hα-helixtrans-64.5-37.7-176.3-70.8-25.4000111.5L95 E100 Q101L95-D97 PolarHBondContact O-N 3.08Å; D97-E100 PolarHBondContact O-N 2.97Å; D97-Q101 PolarHBondContact O-N 3.12Å
98S96.4Very high93Very high54 Ų5461.1 Ų61.138%0.37830%0.296SS..Hα-helixtrans-66.3-41.2174.2-59.40000112L95 R96 Q101 F102L95-S98 WeakPolarHBondContact O-CB 3.34Å; L95-S98 PolarHBondContact O-N 2.93Å; L95-S98 VanDerWaalsContact O-N 3.14Å; R96-S98 VanDerWaalsContact C-N 3.3Å; R96-S98 PolarHBondContact O-N 3.16Å; S98-Q101 PolarHBondContact O-N 3.16Å; S98-F102 WeakPolarHBondContact O-CD2 3.46Å; S98-F102 PolarHBondContact O-N 3.16Å
99V96.7Very high93.2Very high0 Ų059.8 Ų59.80%030%0.295CS..Hα-helixtrans-62.6-45.4174.61730000110.4A65 I68 A69 L95 R96 Q101 F102 I103 Y136A65-V99 HydrophobicContact CB-CG2 3.74Å; I68-V99 HydrophobicContact CB-CG2 3.8Å; I68-V99 HydrophobicContact CG2-CG1 4.12Å; I68-V99 HydrophobicContact CG2-CG2 3.8Å; A69-V99 HydrophobicContact CB-CG1 4.28Å; L95-V99 HydrophobicContact CB-CG2 4.36Å; L95-V99 WeakPolarHBondContact O-CG2 3.46Å; L95-V99 PolarHBondContact O-N 3.14Å; R96-V99 WeakPolarHBondContact O-CB 3.4Å; R96-V99 PolarHBondContact O-N 3.14Å; V99-Q101 VanDerWaalsContact C-N 3.27Å; V99-Q101 PolarHBondContact O-N 2.61Å; V99-F102 PolarHBondContact O-N 3.17Å; V99-I103 HydrophobicContact CG1-CD1 3.58Å; V99-I103 HydrophobicContact CG1-CG1 4.38Å; V99-I103 WeakPolarHBondContact O-CG1 3.39Å; V99-I103 PolarHBondContact O-N 3.37Å; V99-Y136 VanDerWaalsContact CG1-OH 3.28Å; V99-Y136 WeakPolarHBondContact CG1-OH 3.47Å
100E95.6Very high93.4Very high10 Ų1055.6 Ų55.65%0.04728%0.28CS..Hα-helixtrans-57.2-41.1175.6-75.2-175-158.500111.2R96 D97 I103 K104 V110 V120 Y122R96-E100 HydrophobicContact CG-CG 4.46Å; R96-E100 IonicContact CZ-OE1 2.92Å; R96-E100 IonicContact NE-OE1 3.57Å; R96-E100 PolarHBondContact NE-OE1 3.25Å; R96-E100 IonicContact NH2-OE1 2.88Å; R96-E100 WeakPolarHBondContact O-CG 3.44Å; R96-E100 PolarHBondContact O-N 3.3Å; D97-E100 PolarHBondContact O-N 2.97Å; E100-I103 PolarHBondContact O-N 3.39Å; E100-K104 WeakPolarHBondContact O-CB 3.45Å; E100-K104 VanDerWaalsContact O-CG 3.27Å; E100-K104 WeakPolarHBondContact O-CG 3.16Å; E100-K104 PolarHBondContact O-N 3.39Å; E100-V110 HydrophobicContact CG-CG1 4.04Å; E100-V120 HydrophobicContact CG-CG1 4.32Å; E100-V120 VanDerWaalsContact OE1-CG2 3.27Å; E100-V120 WeakPolarHBondContact OE1-CG2 3.38Å; E100-Y122 HydrophobicContact CG-CE1 4.13Å; E100-Y122 VanDerWaalsContact CG-OH 3.23Å; E100-Y122 WeakPolarHBondContact CG-OH 3.34Å
101Q95.4Very high93.6Very high117 Ų11761.8 Ų61.855%0.54731%0.305SS..Hα-helixtrans-63.6-51176.3-177.2179.2-16.200112.1D97 S98 V99 I103 K104 E105D97-Q101 PolarHBondContact O-N 3.12Å; S98-Q101 PolarHBondContact O-N 3.16Å; V99-Q101 VanDerWaalsContact C-N 3.27Å; V99-Q101 PolarHBondContact O-N 2.61Å; Q101-I103 PolarHBondContact O-N 2.7Å; Q101-K104 PolarHBondContact O-N 3.04Å; Q101-E105 PolarHBondContact NE2-OE1 3.25Å; Q101-E105 WeakPolarHBondContact O-CG 3.47Å; Q101-E105 PolarHBondContact O-N 3.25Å; Q101-E105 VanDerWaalsContact O-N 3.09Å
102F95.2Very high93.5Very high67 Ų6764.4 Ų64.429%0.29431%0.314SS..Hα-helixtrans-57.8-38.7178.2-78.1-63.4000112.2A65 Q66 A69 S98 V99 K106A65-F102 HydrophobicContact CB-CD2 3.84Å; A65-F102 HydrophobicContact CB-CE2 3.78Å; Q66-F102 HydrophobicContact CB-CE2 4.41Å; Q66-F102 HydrophobicContact CB-CZ 4.38Å; Q66-F102 VanDerWaalsContact OE1-CE1 3.3Å; A69-F102 HydrophobicContact CB-CB 3.7Å; S98-F102 WeakPolarHBondContact O-CD2 3.46Å; S98-F102 PolarHBondContact O-N 3.16Å; V99-F102 PolarHBondContact O-N 3.17Å; F102-K106 WeakPolarHBondContact O-CG 3.25Å
103I94.3Very high93.1Very high0 Ų066 Ų660%032%0.323CS..Hα-helixtrans-72.2-38.9179.1-66.2167.1000111.4A69 V72 V99 E100 Q101 E105 K106 Y108 Y122A69-I103 HydrophobicContact CB-CD1 4.4Å; A69-I103 HydrophobicContact CB-CG1 3.85Å; V72-I103 HydrophobicContact CB-CD1 3.75Å; V72-I103 HydrophobicContact CG1-CD1 3.71Å; V72-I103 HydrophobicContact CG2-CD1 3.94Å; V99-I103 HydrophobicContact CG1-CD1 3.58Å; V99-I103 HydrophobicContact CG1-CG1 4.38Å; V99-I103 WeakPolarHBondContact O-CG1 3.39Å; V99-I103 PolarHBondContact O-N 3.37Å; E100-I103 PolarHBondContact O-N 3.39Å; Q101-I103 PolarHBondContact O-N 2.7Å; I103-E105 VanDerWaalsContact C-N 3.3Å; I103-E105 PolarHBondContact O-N 3.44Å; I103-K106 CarbonylContact O-C 3.34Å; I103-K106 WeakPolarHBondContact O-CA 3.49Å; I103-K106 WeakPolarHBondContact O-CB 3.42Å; I103-K106 PolarHBondContact O-N 2.88Å; I103-Y108 HydrophobicContact CG2-CD1 4.08Å; I103-Y108 HydrophobicContact CG2-CD2 3.82Å; I103-Y108 HydrophobicContact CG2-CG 3.55Å; I103-Y122 HydrophobicContact CB-CD1 4.09Å; I103-Y122 HydrophobicContact CB-CE1 4Å; I103-Y122 HydrophobicContact CD1-CD1 3.93Å; I103-Y122 HydrophobicContact CD1-CD2 4.4Å; I103-Y122 HydrophobicContact CD1-CE1 3.55Å; I103-Y122 HydrophobicContact CD1-CE2 4.02Å; I103-Y122 HydrophobicContact CD1-CG 4.33Å; I103-Y122 HydrophobicContact CG1-CE1 4.4Å; I103-Y122 HydrophobicContact CG2-CD1 3.4Å; I103-Y122 VanDerWaalsContact CG2-CD1 3.4Å; I103-Y122 HydrophobicContact CG2-CE1 3.85Å; I103-Y122 HydrophobicContact CG2-CG 4.13Å
104K93.1Very high92.4Very high108 Ų10870.3 Ų70.347%0.4735%0.346SS..Hα-helixtrans-59-40.5174-77.9170.7-174.1167.60112.2E100 Q101 K106 D107 V110E100-K104 WeakPolarHBondContact O-CB 3.45Å; E100-K104 VanDerWaalsContact O-CG 3.27Å; E100-K104 WeakPolarHBondContact O-CG 3.16Å; E100-K104 PolarHBondContact O-N 3.39Å; Q101-K104 PolarHBondContact O-N 3.04Å; K104-K106 PolarHBondContact O-N 3.33Å; K104-K106 VanDerWaalsContact O-N 3.16Å; K104-D107 PolarHBondContact O-N 3.4Å; K104-D107 VanDerWaalsContact O-N 3.11Å; K104-V110 HydrophobicContact CD-CG2 4.14Å; K104-V110 HydrophobicContact CG-CB 4.4Å; K104-V110 HydrophobicContact CG-CG2 3.46Å; K104-V110 VanDerWaalsContact CG-CG2 3.46Å
105E91.9Very high91.8Very high103 Ų10369.9 Ų69.948%0.48134%0.344SS..Hα-helixtrans-62-20.5176.3-69.7173.7-170.300112.9Q101 I103 D107Q101-E105 PolarHBondContact NE2-OE1 3.25Å; Q101-E105 WeakPolarHBondContact O-CG 3.47Å; Q101-E105 PolarHBondContact O-N 3.25Å; Q101-E105 VanDerWaalsContact O-N 3.09Å; I103-E105 VanDerWaalsContact C-N 3.3Å; I103-E105 PolarHBondContact O-N 3.44Å; E105-D107 VanDerWaalsContact C-N 3.35Å
106K87.6Confident91.2Very high83 Ų8369 Ų6936%0.36134%0.339SS..THydrogen-bonded Turntrans-9625176.8-57.7-66.7-179.7-177.90113.3L29 I73 F102 I103 K104 Y108L29-K106 HydrophobicContact CD2-CD 4Å; I73-K106 HydrophobicContact CD1-CB 4.07Å; I73-K106 HydrophobicContact CD1-CG 3.83Å; F102-K106 WeakPolarHBondContact O-CG 3.25Å; I103-K106 CarbonylContact O-C 3.34Å; I103-K106 WeakPolarHBondContact O-CA 3.49Å; I103-K106 WeakPolarHBondContact O-CB 3.42Å; I103-K106 PolarHBondContact O-N 2.88Å; K104-K106 PolarHBondContact O-N 3.33Å; K104-K106 VanDerWaalsContact O-N 3.16Å; K106-Y108 HydrophobicContact CB-CD2 4.3Å; K106-Y108 HydrophobicContact CB-CE2 4.5Å; K106-Y108 WeakPolarHBondContact O-CD2 3.28Å
107D89.8Confident90.5Very high65 Ų6576.4 Ų76.435%0.34837%0.373SS..THydrogen-bonded Turntrans62.845.7174.9-60.2-47.4000113.5K26 K104 E105 L125K26-D107 WeakPolarHBondContact CD-OD2 3.45Å; K26-D107 WeakPolarHBondContact CE-OD2 3.27Å; K26-D107 IonicContact NZ-OD1 3.44Å; K26-D107 PolarHBondContact NZ-OD1 3.13Å; K26-D107 IonicContact NZ-OD2 3.6Å; K26-D107 PolarHBondContact NZ-OD2 2.92Å; K104-D107 PolarHBondContact O-N 3.4Å; K104-D107 VanDerWaalsContact O-N 3.11Å; E105-D107 VanDerWaalsContact C-N 3.35Å; D107-L125 HydrophobicContact CB-CB 4.41Å; D107-L125 HydrophobicContact CB-CD1 4.17Å; D107-L125 VanDerWaalsContact O-CB 3.28Å; D107-L125 WeakPolarHBondContact O-CB 3.33Å; D107-L125 VanDerWaalsContact O-CG 3.25Å; D107-L125 WeakPolarHBondContact O-CG 3.33Å; D107-L125 PolarHBondContact O-N 3.02Å
108Y92.7Very high90.1Very high10 Ų1072.8 Ų72.84%0.03936%0.355CS..EExtended strand (participates in β ladder)trans-108.7139.4167.4-76.8-108.9000110.8I73 S76 I103 K106 P124 L129I73-Y108 HydrophobicContact CG1-CE2 4.16Å; S76-Y108 WeakPolarHBondContact CB-OH 3.5Å; S76-Y108 PolarHBondContact OG-OH 2.97Å; I103-Y108 HydrophobicContact CG2-CD1 4.08Å; I103-Y108 HydrophobicContact CG2-CD2 3.82Å; I103-Y108 HydrophobicContact CG2-CG 3.55Å; K106-Y108 HydrophobicContact CB-CD2 4.3Å; K106-Y108 HydrophobicContact CB-CE2 4.5Å; K106-Y108 WeakPolarHBondContact O-CD2 3.28Å; Y108-P124 HydrophobicContact CD1-CB 3.87Å; Y108-P124 HydrophobicContact CD1-CG 4.39Å; Y108-P124 VanDerWaalsContact CD1-N 3.35Å; Y108-P124 HydrophobicContact CE1-CB 3.59Å; Y108-P124 HydrophobicContact CE1-CG 3.95Å; Y108-P124 HydrophobicContact CE2-CB 4.28Å; Y108-P124 HydrophobicContact CG-CB 4.34Å; Y108-L129 HydrophobicContact CE2-CD1 4.18Å; Y108-L129 VanDerWaalsContact OH-CD1 3.29Å; Y108-L129 WeakPolarHBondContact OH-CD1 3.33Å
109S93Very high90Very high57 Ų5770.2 Ų70.240%0.39934%0.337SS..EExtended strand (participates in β ladder)trans-80.6140.4159.864.70000109.8S123S109-S123 PolarHBondContact N-O 2.9Å; S109-S123 PolarHBondContact O-N 2.83Å; S109-S123 WeakPolarHBondContact OG-CB 3.32Å; S109-S123 PolarHBondContact OG-O 3.4Å
110V94.3Very high89.9Confident36 Ų3670.2 Ų70.222%0.21834%0.337CS..EExtended strand (participates in β ladder)trans-121.1126.7-175.7-175.80000109E100 K104 V120 Y122E100-V110 HydrophobicContact CG-CG1 4.04Å; K104-V110 HydrophobicContact CD-CG2 4.14Å; K104-V110 HydrophobicContact CG-CB 4.4Å; K104-V110 HydrophobicContact CG-CG2 3.46Å; K104-V110 VanDerWaalsContact CG-CG2 3.46Å; V110-V120 HydrophobicContact CG1-CG1 3.45Å; V110-V120 VanDerWaalsContact CG1-CG1 3.45Å; V110-Y122 HydrophobicContact CB-CD1 4.45Å; V110-Y122 HydrophobicContact CB-CE1 4.47Å; V110-Y122 HydrophobicContact CG1-CD1 4.21Å; V110-Y122 HydrophobicContact CG1-CE1 3.88Å; V110-Y122 HydrophobicContact CG2-CD1 3.71Å; V110-Y122 HydrophobicContact CG2-CE1 3.81Å
111K93.7Very high90Very high135 Ų13570.8 Ų70.859%0.58734%0.341SS*.EExtended strand (participates in β ladder)trans-128.8123.1177-176.9-179.6178.9-177.60109.5I121K111-I121 HydrophobicContact CB-CB 4.38Å; K111-I121 PolarHBondContact N-O 3.13Å; K111-I121 PolarHBondContact O-N 3.09Å
112K91.3Very high90Very high108 Ų10865.2 Ų65.247%0.4732%0.315SS..EExtended strand (participates in β ladder)trans-68.2137.4171-63.1-170.8175.3-1740109
113N85.1Confident90Very high35 Ų3563.5 Ų63.519%0.18731%0.311CS..  trans-76.2127.3176.6-168.5-16000109.1E115 S119N113-E115 VanDerWaalsContact C-N 3.31Å; N113-E115 PolarHBondContact OD1-N 2.98Å; N113-E115 VanDerWaalsContact OD1-N 3.09Å; N113-S119 WeakPolarHBondContact CB-O 3.33Å; N113-S119 PolarHBondContact N-O 3.34Å
114N80.3Confident89.8Confident149 Ų14964.6 Ų64.680%0.79732%0.318SS*.SBendtrans-73.8-26.1-178.5-69.2-10.9000112.2
115E79.7Confident89.5Confident147 Ų14765.1 Ų65.169%0.68733%0.326SS*.SBendtrans-84.9-34.9-177.8-63.6-179.2-169.400112N113N113-E115 VanDerWaalsContact C-N 3.31Å; N113-E115 PolarHBondContact OD1-N 2.98Å; N113-E115 VanDerWaalsContact OD1-N 3.09Å
116I81.4Confident88.8Confident22 Ų2262.4 Ų62.411%0.11332%0.318CS..  trans-122.9103.8-177.5-47.6169.4000108.5S118 S119 K174I116-S118 WeakPolarHBondContact CG2-OG 3.46Å; I116-S118 PolarHBondContact O-N 3.46Å; I116-S118 VanDerWaalsContact O-N 3.1Å; I116-S119 WeakPolarHBondContact O-CB 3.49Å; I116-S119 PolarHBondContact O-N 3.18Å; I116-K174 HydrophobicContact CD1-CB 3.48Å; I116-K174 VanDerWaalsContact CD1-CB 3.48Å; I116-K174 HydrophobicContact CD1-CG 4.5Å; I116-K174 HydrophobicContact CG1-CB 3.83Å; I116-K174 HydrophobicContact CG1-CG 4.36Å
117K78.3Confident88.2Confident192 Ų19270.5 Ų70.584%0.83535%0.346SS*.THydrogen-bonded Turntrans-55.5-33.6-177-71.9-176179.1177.70113.2R96 S119R96-K117 PolarHBondContact NH1-O 3.2Å; R96-K117 PolarHBondContact NH2-O 3.04Å; K117-S119 VanDerWaalsContact C-N 3.3Å
118S86.6Confident87.3Confident30 Ų3071.5 Ų71.521%0.2135%0.354CS..THydrogen-bonded Turntrans-82.1-1.9179.451.60000114.5I116 Y136I116-S118 WeakPolarHBondContact CG2-OG 3.46Å; I116-S118 PolarHBondContact O-N 3.46Å; I116-S118 VanDerWaalsContact O-N 3.1Å; S118-Y136 WeakPolarHBondContact CB-O 3.18Å; S118-Y136 WeakPolarHBondContact O-CD2 3.43Å; S118-Y136 PolarHBondContact O-N 2.9Å
119S93.5Very high86.7Confident0 Ų073 Ų730%036%0.363CS..EExtended strand (participates in β ladder)trans-104139-176.2-169.90000112.5N113 I116 K117 T133 V134 N135N113-S119 WeakPolarHBondContact CB-O 3.33Å; N113-S119 PolarHBondContact N-O 3.34Å; I116-S119 WeakPolarHBondContact O-CB 3.49Å; I116-S119 PolarHBondContact O-N 3.18Å; K117-S119 VanDerWaalsContact C-N 3.3Å; S119-T133 WeakPolarHBondContact OG-CG2 3.26Å; S119-V134 CarbonylContact C-O 3.52Å; S119-V134 VanDerWaalsContact CA-O 3.28Å; S119-V134 WeakPolarHBondContact CA-O 3.28Å; S119-N135 VanDerWaalsContact CB-OD1 3.25Å; S119-N135 WeakPolarHBondContact CB-OD1 3.32Å; S119-N135 PolarHBondContact OG-OD1 3.08Å
120V96Very high86.4Confident0 Ų071.9 Ų71.90%036%0.355CS..EExtended strand (participates in β ladder)trans-128.7132.3178.7-176.80000109.4R96 E100 V110 Y122 V134 Y136R96-V120 VanDerWaalsContact CZ-CG2 3.49Å; R96-V120 VanDerWaalsContact NE-CG2 3.27Å; E100-V120 HydrophobicContact CG-CG1 4.32Å; E100-V120 VanDerWaalsContact OE1-CG2 3.27Å; E100-V120 WeakPolarHBondContact OE1-CG2 3.38Å; V110-V120 HydrophobicContact CG1-CG1 3.45Å; V110-V120 VanDerWaalsContact CG1-CG1 3.45Å; V120-Y122 HydrophobicContact CB-CE2 3.85Å; V120-Y122 HydrophobicContact CG1-CD1 4.3Å; V120-Y122 HydrophobicContact CG1-CD2 4.15Å; V120-Y122 HydrophobicContact CG1-CE1 3.78Å; V120-Y122 HydrophobicContact CG1-CE2 3.65Å; V120-Y122 HydrophobicContact CG1-CG 4.47Å; V120-Y122 VanDerWaalsContact CG1-CZ 3.44Å; V120-V134 PolarHBondContact N-O 3.18Å; V120-V134 PolarHBondContact O-N 3.43Å; V120-Y136 HydrophobicContact CB-CE2 4.19Å; V120-Y136 HydrophobicContact CG2-CD2 4.34Å; V120-Y136 HydrophobicContact CG2-CE2 3.91Å
121I96.3Very high86.4Confident22 Ų2276 Ų7611%0.11337%0.37CS..EExtended strand (participates in β ladder)trans-99.9118.8176.4-61.6174.3000108.4K111 K131 T133K111-I121 HydrophobicContact CB-CB 4.38Å; K111-I121 PolarHBondContact N-O 3.13Å; K111-I121 PolarHBondContact O-N 3.09Å; I121-K131 HydrophobicContact CG2-CD 4.17Å; I121-K131 HydrophobicContact CG2-CG 4.05Å; I121-T133 HydrophobicContact CG1-CG2 4.35Å
122Y96.1Very high86.5Confident0 Ų069.5 Ų69.50%034%0.342CS..EExtended strand (participates in β ladder)trans-102.9117.7174-61.2-78.8000108.9V72 E100 I103 V110 V120 K131 I132 V134 Y136V72-Y122 HydrophobicContact CG1-CD2 3.78Å; V72-Y122 HydrophobicContact CG1-CE2 4.16Å; V72-Y122 HydrophobicContact CG1-CG 4.23Å; E100-Y122 HydrophobicContact CG-CE1 4.13Å; E100-Y122 VanDerWaalsContact CG-OH 3.23Å; E100-Y122 WeakPolarHBondContact CG-OH 3.34Å; I103-Y122 HydrophobicContact CB-CD1 4.09Å; I103-Y122 HydrophobicContact CB-CE1 4Å; I103-Y122 HydrophobicContact CD1-CD1 3.93Å; I103-Y122 HydrophobicContact CD1-CD2 4.4Å; I103-Y122 HydrophobicContact CD1-CE1 3.55Å; I103-Y122 HydrophobicContact CD1-CE2 4.02Å; I103-Y122 HydrophobicContact CD1-CG 4.33Å; I103-Y122 HydrophobicContact CG1-CE1 4.4Å; I103-Y122 HydrophobicContact CG2-CD1 3.4Å; I103-Y122 VanDerWaalsContact CG2-CD1 3.4Å; I103-Y122 HydrophobicContact CG2-CE1 3.85Å; I103-Y122 HydrophobicContact CG2-CG 4.13Å; V110-Y122 HydrophobicContact CB-CD1 4.45Å; V110-Y122 HydrophobicContact CB-CE1 4.47Å; V110-Y122 HydrophobicContact CG1-CD1 4.21Å; V110-Y122 HydrophobicContact CG1-CE1 3.88Å; V110-Y122 HydrophobicContact CG2-CD1 3.71Å; V110-Y122 HydrophobicContact CG2-CE1 3.81Å; V120-Y122 HydrophobicContact CB-CE2 3.85Å; V120-Y122 HydrophobicContact CG1-CD1 4.3Å; V120-Y122 HydrophobicContact CG1-CD2 4.15Å; V120-Y122 HydrophobicContact CG1-CE1 3.78Å; V120-Y122 HydrophobicContact CG1-CE2 3.65Å; V120-Y122 HydrophobicContact CG1-CG 4.47Å; V120-Y122 VanDerWaalsContact CG1-CZ 3.44Å; Y122-K131 WeakPolarHBondContact O-CA 3Å; Y122-I132 HydrophobicContact CD2-CG2 4.43Å; Y122-I132 PolarHBondContact N-O 2.99Å; Y122-I132 PolarHBondContact O-N 3.32Å; Y122-V134 HydrophobicContact CD2-CB 4.11Å; Y122-V134 HydrophobicContact CD2-CG2 3.47Å; Y122-V134 VanDerWaalsContact CD2-CG2 3.47Å; Y122-V134 HydrophobicContact CE2-CB 3.76Å; Y122-V134 HydrophobicContact CE2-CG1 4.48Å; Y122-V134 HydrophobicContact CE2-CG2 3.52Å; Y122-Y136 PolarHBondContact OH-OH 2.79Å
123S94.7Very high86.8Confident32 Ų3265.1 Ų65.122%0.22432%0.324CS..EExtended strand (participates in β ladder)trans-117.8110.4178-51.30000109.2S109S109-S123 PolarHBondContact N-O 2.9Å; S109-S123 PolarHBondContact O-N 2.83Å; S109-S123 WeakPolarHBondContact OG-CB 3.32Å; S109-S123 PolarHBondContact OG-O 3.4Å
124P89.6Confident87.4Confident22 Ų2263.4 Ų63.414%0.14332%0.315CS..EExtended strand (participates in β ladder)trans-62.8142.2-179.624.8-31000110.2Y108 L129 S130Y108-P124 HydrophobicContact CD1-CB 3.87Å; Y108-P124 HydrophobicContact CD1-CG 4.39Å; Y108-P124 VanDerWaalsContact CD1-N 3.35Å; Y108-P124 HydrophobicContact CE1-CB 3.59Å; Y108-P124 HydrophobicContact CE1-CG 3.95Å; Y108-P124 HydrophobicContact CE2-CB 4.28Å; Y108-P124 HydrophobicContact CG-CB 4.34Å; P124-L129 HydrophobicContact CB-CB 3.68Å; P124-L129 HydrophobicContact CB-CD1 4.25Å; P124-L129 HydrophobicContact CG-CB 3.51Å; P124-L129 WeakPolarHBondContact CG-O 3.29Å; P124-S130 WeakPolarHBondContact CD-O 3.35Å
125L87.1Confident88.1Confident120 Ų12056.4 Ų56.463%0.62828%0.277SS*.SBendtrans-73.9-23.2172.5-61.7176.4000111.2D107D107-L125 HydrophobicContact CB-CB 4.41Å; D107-L125 HydrophobicContact CB-CD1 4.17Å; D107-L125 VanDerWaalsContact O-CB 3.28Å; D107-L125 WeakPolarHBondContact O-CB 3.33Å; D107-L125 VanDerWaalsContact O-CG 3.25Å; D107-L125 WeakPolarHBondContact O-CG 3.33Å; D107-L125 PolarHBondContact O-N 3.02Å
126S78.3Confident88.8Confident45 Ų4549.4 Ų49.432%0.31525%0.245SC..SBendtrans-73.5138.1169.11790000111V128S126-V128 PolarHBondContact O-N 3.39Å; S126-V128 PolarHBondContact OG-N 3.14Å
127R73.8Confident89.4Confident254 Ų25448.5 Ų48.596%0.95824%0.24SC*.THydrogen-bonded Turntrans-74.6-7.8174.2-64.6-176.2-179.5-176.4-0113.8
128V71.1Confident90Very high85 Ų8542 Ų4252%0.51521%0.214SC..THydrogen-bonded Turntrans-81.8-33.8-176.1-1790000111.7S126S126-V128 PolarHBondContact O-N 3.39Å; S126-V128 PolarHBondContact OG-N 3.14Å
129L81.6Confident90Very high42 Ų4241.6 Ų41.622%0.2221%0.211CC..SBendtrans-94.1150.2-175.6-57.7175.9000109.8A77 Y108 P124A77-L129 HydrophobicContact CB-CD2 3.7Å; Y108-L129 HydrophobicContact CE2-CD1 4.18Å; Y108-L129 VanDerWaalsContact OH-CD1 3.29Å; Y108-L129 WeakPolarHBondContact OH-CD1 3.33Å; P124-L129 HydrophobicContact CB-CB 3.68Å; P124-L129 HydrophobicContact CB-CD1 4.25Å; P124-L129 HydrophobicContact CG-CB 3.51Å; P124-L129 WeakPolarHBondContact CG-O 3.29Å
130S86.3Confident89.8Confident34 Ų3446.3 Ų46.324%0.23824%0.236CC..PPolyproline II helixtrans-86.2151.3178.7730000111.8S76 G79 P124S76-S130 WeakPolarHBondContact CB-O 3.48Å; S76-S130 PolarHBondContact O-N 3.31Å; S76-S130 PolarHBondContact O-OG 3.47Å; S76-S130 PolarHBondContact OG-O 3.35Å; G79-S130 WeakPolarHBondContact CA-OG 3.25Å; P124-S130 WeakPolarHBondContact CD-O 3.35Å
131K94.3Very high89.4Confident121 Ų12148 Ų4853%0.52625%0.246SC..PPolyproline II helixtrans-61.6140163.8175.9-175.6178.6-165.40109.5I121 Y122I121-K131 HydrophobicContact CG2-CD 4.17Å; I121-K131 HydrophobicContact CG2-CG 4.05Å; Y122-K131 WeakPolarHBondContact O-CA 3Å
132I95.9Very high88.9Confident0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-133.6139176.4-169.9167.6000111.4V72 C75 V80 L83 Y122 V134V72-I132 HydrophobicContact CG1-CG2 3.86Å; C75-I132 HydrophobicContact CB-CD1 3.37Å; V80-I132 HydrophobicContact CB-CD1 4.39Å; V80-I132 HydrophobicContact CG1-CD1 4.14Å; L83-I132 HydrophobicContact CB-CD1 3.8Å; L83-I132 HydrophobicContact CB-CG1 4.33Å; L83-I132 HydrophobicContact CD2-CD1 4.46Å; Y122-I132 HydrophobicContact CD2-CG2 4.43Å; Y122-I132 PolarHBondContact N-O 2.99Å; Y122-I132 PolarHBondContact O-N 3.32Å; I132-V134 HydrophobicContact CG1-CG2 4.41Å; I132-V134 HydrophobicContact CG2-CG2 4.38Å
133T97Very high88.6Confident15 Ų1552.4 Ų52.49%0.09227%0.265CS..EExtended strand (participates in β ladder)trans-101121.2172-58.40000109S81 Y82 L83 S119 I121S81-T133 PolarHBondContact O-N 2.79Å; Y82-T133 CarbonylContact C-O 3.57Å; Y82-T133 WeakPolarHBondContact CA-O 3.18Å; Y82-T133 HydrophobicContact CD1-CG2 3.99Å; Y82-T133 HydrophobicContact CE1-CG2 3.98Å; L83-T133 PolarHBondContact N-O 2.75Å; S119-T133 WeakPolarHBondContact OG-CG2 3.26Å; I121-T133 HydrophobicContact CG1-CG2 4.35Å
134V97.4Very high88.4Confident0 Ų055 Ų550%028%0.276CS..EExtended strand (participates in β ladder)trans-110.1123.1-177.8-1770000109.9V72 L83 L85 S119 V120 Y122 I132 Y136V72-V134 HydrophobicContact CB-CG2 4.48Å; V72-V134 HydrophobicContact CG1-CG2 3.73Å; V72-V134 HydrophobicContact CG2-CG1 4.39Å; V72-V134 HydrophobicContact CG2-CG2 3.94Å; L83-V134 HydrophobicContact CB-CG2 4.23Å; L83-V134 HydrophobicContact CD2-CG1 4.49Å; L83-V134 HydrophobicContact CD2-CG2 4.28Å; L83-V134 HydrophobicContact CG-CG1 4.45Å; L83-V134 CarbonylContact O-C 3.5Å; L83-V134 WeakPolarHBondContact O-CA 3.38Å; L85-V134 HydrophobicContact CD1-CG1 3.65Å; L85-V134 HydrophobicContact CG-CG1 4.2Å; S119-V134 CarbonylContact C-O 3.52Å; S119-V134 VanDerWaalsContact CA-O 3.28Å; S119-V134 WeakPolarHBondContact CA-O 3.28Å; V120-V134 PolarHBondContact N-O 3.18Å; V120-V134 PolarHBondContact O-N 3.43Å; Y122-V134 HydrophobicContact CD2-CB 4.11Å; Y122-V134 HydrophobicContact CD2-CG2 3.47Å; Y122-V134 VanDerWaalsContact CD2-CG2 3.47Å; Y122-V134 HydrophobicContact CE2-CB 3.76Å; Y122-V134 HydrophobicContact CE2-CG1 4.48Å; Y122-V134 HydrophobicContact CE2-CG2 3.52Å; I132-V134 HydrophobicContact CG1-CG2 4.41Å; I132-V134 HydrophobicContact CG2-CG2 4.38Å; V134-Y136 HydrophobicContact CB-CE2 4.01Å; V134-Y136 HydrophobicContact CG1-CD2 4.04Å; V134-Y136 HydrophobicContact CG1-CE1 4.42Å; V134-Y136 HydrophobicContact CG1-CE2 3.5Å; V134-Y136 VanDerWaalsContact CG1-CE2 3.5Å
135N95.5Very high88.3Confident1 Ų155.3 Ų55.31%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-103.2118.5176.4-52.9-47.4000109.1L83 S84 L85 S119 L137L83-N135 PolarHBondContact O-N 3.4Å; S84-N135 WeakPolarHBondContact CA-O 3.47Å; S84-N135 PolarHBondContact OG-ND2 3.3Å; L85-N135 PolarHBondContact N-O 2.92Å; S119-N135 VanDerWaalsContact CB-OD1 3.25Å; S119-N135 WeakPolarHBondContact CB-OD1 3.32Å; S119-N135 PolarHBondContact OG-OD1 3.08Å; N135-L137 HydrophobicContact CB-CD1 4.38Å; N135-L137 HydrophobicContact CB-CD2 4.24Å; N135-L137 HydrophobicContact CB-CG 4.17Å
136Y95Very high88.5Confident0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-95.3109.4175.8-61.9-102.4000108.5L85 I92 L93 R96 V99 S118 V120 Y122 V134L85-Y136 HydrophobicContact CD1-CD1 4.39Å; L85-Y136 HydrophobicContact CD1-CE1 4.02Å; I92-Y136 HydrophobicContact CG1-CD1 4.03Å; L93-Y136 VanDerWaalsContact CD2-O 3.28Å; L93-Y136 WeakPolarHBondContact CD2-O 3.33Å; R96-Y136 HydrophobicContact CB-CD1 4.23Å; R96-Y136 HydrophobicContact CB-CE1 4.26Å; R96-Y136 HydrophobicContact CG-CD1 4.46Å; R96-Y136 HydrophobicContact CG-CD2 4.26Å; R96-Y136 HydrophobicContact CG-CE1 4.35Å; R96-Y136 HydrophobicContact CG-CE2 4.12Å; R96-Y136 HydrophobicContact CG-CG 4.45Å; V99-Y136 VanDerWaalsContact CG1-OH 3.28Å; V99-Y136 WeakPolarHBondContact CG1-OH 3.47Å; S118-Y136 WeakPolarHBondContact CB-O 3.18Å; S118-Y136 WeakPolarHBondContact O-CD2 3.43Å; S118-Y136 PolarHBondContact O-N 2.9Å; V120-Y136 HydrophobicContact CB-CE2 4.19Å; V120-Y136 HydrophobicContact CG2-CD2 4.34Å; V120-Y136 HydrophobicContact CG2-CE2 3.91Å; Y122-Y136 PolarHBondContact OH-OH 2.79Å; V134-Y136 HydrophobicContact CB-CE2 4.01Å; V134-Y136 HydrophobicContact CG1-CD2 4.04Å; V134-Y136 HydrophobicContact CG1-CE1 4.42Å; V134-Y136 HydrophobicContact CG1-CE2 3.5Å; V134-Y136 VanDerWaalsContact CG1-CE2 3.5Å
137L93.2Very high89.3Confident3 Ų353.6 Ų53.62%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-117.1145.1-167.4-59.3175.7000111.5L85 S86 N135 D141 L193 L194L85-L137 PolarHBondContact O-N 2.8Å; S86-L137 WeakPolarHBondContact CA-O 3.28Å; S86-L137 VanDerWaalsContact CB-O 3.31Å; S86-L137 WeakPolarHBondContact CB-O 3.45Å; N135-L137 HydrophobicContact CB-CD1 4.38Å; N135-L137 HydrophobicContact CB-CD2 4.24Å; N135-L137 HydrophobicContact CB-CG 4.17Å; L137-D141 VanDerWaalsContact CA-OD2 3.29Å; L137-D141 WeakPolarHBondContact CA-OD2 3.16Å; L137-L193 HydrophobicContact CB-CD1 3.64Å; L137-L193 HydrophobicContact CD1-CD1 3.59Å; L137-L193 HydrophobicContact CD1-CG 4.48Å; L137-L193 HydrophobicContact CG-CD1 4.25Å; L137-L194 HydrophobicContact CD1-CD1 4.01Å; L137-L194 HydrophobicContact CD1-CD2 3.95Å; L137-L194 HydrophobicContact CD1-CG 3.93Å
138N91.5Very high90.1Very high56 Ų5646.1 Ų46.130%0.29924%0.243SC..  trans-77.1162162-73.3-49.3000110.6L93 D140 D141L93-N138 VanDerWaalsContact CD1-CG 3.49Å; L93-N138 WeakPolarHBondContact CD1-ND2 3.47Å; L93-N138 WeakPolarHBondContact CD1-OD1 3.48Å; N138-D140 PolarHBondContact O-N 2.87Å; N138-D141 PolarHBondContact N-OD2 3.38Å; N138-D141 PolarHBondContact O-N 2.99Å
139C86.2Confident91.2Very high22 Ų2242.1 Ų42.115%0.14922%0.219CC..SBendtrans-61.5-32.2174.3570000113.1
140D88.1Confident91.7Very high98 Ų9842.9 Ų42.952%0.52423%0.231SC..SBendtrans-85.2-15.7-176-58.5-32.7000113.3N138 G142 F143 D144N138-D140 PolarHBondContact O-N 2.87Å; D140-G142 PolarHBondContact O-N 3.05Å; D140-G142 VanDerWaalsContact O-N 3.11Å; D140-F143 PolarHBondContact O-N 3.28Å; D140-F143 VanDerWaalsContact O-N 3.09Å; D140-D144 PolarHBondContact O-N 2.81Å
141D88.4Confident92.1Very high36 Ų3649.1 Ų49.119%0.19325%0.25CC..Hα-helixtrans-55.8-37.8-174.5-75.4-11.7000111.7L137 N138 Q145L137-D141 VanDerWaalsContact CA-OD2 3.29Å; L137-D141 WeakPolarHBondContact CA-OD2 3.16Å; N138-D141 PolarHBondContact N-OD2 3.38Å; N138-D141 PolarHBondContact O-N 2.99Å; D141-Q145 WeakPolarHBondContact O-CB 3.26Å; D141-Q145 WeakPolarHBondContact O-CG 3.46Å; D141-Q145 PolarHBondContact O-N 3.31Å; D141-Q145 PolarHBondContact O-NE2 2.73Å
142G86.1Confident92Very high1 Ų149 Ų491%0.0125%0.247CC..Hα-helixtrans-64.7-42.9-179.500000113.4D140 I146D140-G142 PolarHBondContact O-N 3.05Å; D140-G142 VanDerWaalsContact O-N 3.11Å; G142-I146 PolarHBondContact O-N 3.22Å
143F90Very high92Very high114 Ų11449.9 Ų49.950%0.525%0.252SS..Hα-helixtrans-74.3-38.8177.9-74-66.1000111.9D140 Q145 I146 C147D140-F143 PolarHBondContact O-N 3.28Å; D140-F143 VanDerWaalsContact O-N 3.09Å; F143-Q145 PolarHBondContact O-N 2.96Å; F143-I146 PolarHBondContact O-N 2.89Å; F143-I146 VanDerWaalsContact O-N 3.13Å; F143-C147 PolarHBondContact O-N 3.27Å; F143-C147 PolarHBondContact O-SG 3.27Å
144D90.1Very high91.8Very high85 Ų8553.8 Ų53.846%0.45528%0.279SS..Hα-helixtrans-58.5-40.4175.2-82.1-10.1000111.5D140 C147 Q148D140-D144 PolarHBondContact O-N 2.81Å; D144-C147 PolarHBondContact O-N 2.76Å; D144-Q148 WeakPolarHBondContact O-CB 3.29Å; D144-Q148 WeakPolarHBondContact O-CG 3.44Å; D144-Q148 PolarHBondContact O-N 3.42Å
145Q87.9Confident91.5Very high30 Ų3059 Ų5914%0.1431%0.311CS..Hα-helixtrans-63.4-41.4175.6-72.1162.814.700112.5D141 F143 S149 T173D141-Q145 WeakPolarHBondContact O-CB 3.26Å; D141-Q145 WeakPolarHBondContact O-CG 3.46Å; D141-Q145 PolarHBondContact O-N 3.31Å; D141-Q145 PolarHBondContact O-NE2 2.73Å; F143-Q145 PolarHBondContact O-N 2.96Å; Q145-S149 WeakPolarHBondContact O-CB 3.31Å; Q145-S149 PolarHBondContact O-N 3.1Å; Q145-S149 PolarHBondContact O-OG 3.47Å; Q145-T173 HydrophobicContact CB-CG2 3.68Å; Q145-T173 HydrophobicContact CG-CG2 3.64Å
146I91.5Very high91.2Very high57 Ų5761.1 Ų61.129%0.29233%0.326SS..Hα-helixtrans-63.5-47.8174.4-70.7-177000110.4G142 F143 Q148 S149 A150 P195G142-I146 PolarHBondContact O-N 3.22Å; F143-I146 PolarHBondContact O-N 2.89Å; F143-I146 VanDerWaalsContact O-N 3.13Å; I146-Q148 VanDerWaalsContact C-N 3.33Å; I146-Q148 PolarHBondContact O-N 3.42Å; I146-S149 WeakPolarHBondContact O-CB 3.3Å; I146-S149 PolarHBondContact O-N 2.98Å; I146-S149 VanDerWaalsContact O-N 3.16Å; I146-A150 WeakPolarHBondContact O-CB 3.41Å; I146-A150 PolarHBondContact O-N 3.48Å; I146-P195 HydrophobicContact CD1-CB 4.24Å; I146-P195 HydrophobicContact CD1-CG 3.52Å; I146-P195 HydrophobicContact CG1-CG 4.38Å
147C93.7Very high90.8Very high71 Ų7168.4 Ų68.448%0.4837%0.371SS..Hα-helixtrans-60.7-41.4179.3-730000112.2F143 D144 A150 R151F143-C147 PolarHBondContact O-N 3.27Å; F143-C147 PolarHBondContact O-SG 3.27Å; D144-C147 PolarHBondContact O-N 2.76Å; C147-A150 PolarHBondContact O-N 3.17Å; C147-R151 WeakPolarHBondContact O-CB 3.4Å; C147-R151 PolarHBondContact O-N 3.16Å
148Q92.3Very high90.5Very high97 Ų9771 Ų7145%0.45339%0.389SS..Hα-helixtrans-63.8-42.3174.5-73172.932.300111.7D144 I146 R151 Y152D144-Q148 WeakPolarHBondContact O-CB 3.29Å; D144-Q148 WeakPolarHBondContact O-CG 3.44Å; D144-Q148 PolarHBondContact O-N 3.42Å; I146-Q148 VanDerWaalsContact C-N 3.33Å; I146-Q148 PolarHBondContact O-N 3.42Å; Q148-R151 PolarHBondContact O-N 2.85Å; Q148-Y152 PolarHBondContact O-N 3.16Å
149S92.3Very high90.5Very high2 Ų274 Ų741%0.01441%0.41CS..Hα-helixtrans-62.7-45.3176.4-56.20000111.6Q145 I146 R151 Y152 L153 I169 L172Q145-S149 WeakPolarHBondContact O-CB 3.31Å; Q145-S149 PolarHBondContact O-N 3.1Å; Q145-S149 PolarHBondContact O-OG 3.47Å; I146-S149 WeakPolarHBondContact O-CB 3.3Å; I146-S149 PolarHBondContact O-N 2.98Å; I146-S149 VanDerWaalsContact O-N 3.16Å; S149-R151 PolarHBondContact O-N 2.78Å; S149-Y152 PolarHBondContact O-N 2.87Å; S149-L153 WeakPolarHBondContact O-CB 3.46Å; S149-L153 VanDerWaalsContact O-CG 3.26Å; S149-L153 WeakPolarHBondContact O-CG 3.4Å; S149-L153 PolarHBondContact O-N 3.28Å; S149-I169 VanDerWaalsContact OG-CG1 3.28Å; S149-I169 WeakPolarHBondContact OG-CG1 3.42Å; S149-L172 WeakPolarHBondContact OG-CD1 3.32Å
150A93.5Very high90.8Very high57 Ų5778.6 Ų78.647%0.47143%0.432SS..Hα-helixtrans-60.8-43.7176.700000111.7I146 C147 L153 S154I146-A150 WeakPolarHBondContact O-CB 3.41Å; I146-A150 PolarHBondContact O-N 3.48Å; C147-A150 PolarHBondContact O-N 3.17Å; A150-L153 PolarHBondContact O-N 3.12Å; A150-S154 WeakPolarHBondContact O-CB 3.06Å; A150-S154 PolarHBondContact O-N 3.18Å
151R94.9Very high91Very high166 Ų16676.7 Ų76.763%0.62642%0.424SS*.Hα-helixtrans-63-40.7175.8-172.8-177.7-62.91231.3112.3C147 Q148 S149 S154C147-R151 WeakPolarHBondContact O-CB 3.4Å; C147-R151 PolarHBondContact O-N 3.16Å; Q148-R151 PolarHBondContact O-N 2.85Å; S149-R151 PolarHBondContact O-N 2.78Å; R151-S154 PolarHBondContact O-OG 3.47Å
152Y92.7Very high91.2Very high117 Ų11780.9 Ų80.946%0.45945%0.447SS..Hα-helixtrans-64.6-49.4176178.4-101.6000111Q148 S149 S154 T155 T168Q148-Y152 PolarHBondContact O-N 3.16Å; S149-Y152 PolarHBondContact O-N 2.87Å; Y152-S154 VanDerWaalsContact C-N 3.28Å; Y152-S154 PolarHBondContact O-N 2.85Å; Y152-T155 PolarHBondContact O-N 2.84Å; Y152-T155 VanDerWaalsContact O-N 3.08Å; Y152-T155 PolarHBondContact O-OG1 2.97Å; Y152-T168 HydrophobicContact CD1-CG2 3.63Å; Y152-T168 HydrophobicContact CE1-CG2 4.25Å; Y152-T168 HydrophobicContact CG-CG2 4.47Å
153L93.8Very high91.5Very high20 Ų2086.7 Ų86.711%0.10547%0.473CS..Hα-helixtrans-62-34.6-179.3-72167.7000112.7S149 A150 T155 S156 L160 R164 V165 T168S149-L153 WeakPolarHBondContact O-CB 3.46Å; S149-L153 VanDerWaalsContact O-CG 3.26Å; S149-L153 WeakPolarHBondContact O-CG 3.4Å; S149-L153 PolarHBondContact O-N 3.28Å; A150-L153 PolarHBondContact O-N 3.12Å; L153-T155 PolarHBondContact O-N 2.77Å; L153-S156 WeakPolarHBondContact O-CB 3.44Å; L153-S156 PolarHBondContact O-N 2.85Å; L153-L160 HydrophobicContact CB-CD1 4.42Å; L153-L160 HydrophobicContact CD1-CD1 4.03Å; L153-L160 HydrophobicContact CD2-CD1 4.45Å; L153-R164 HydrophobicContact CD2-CG 3.97Å; L153-V165 HydrophobicContact CD1-CB 4.4Å; L153-V165 HydrophobicContact CD1-CG2 3.93Å; L153-T168 HydrophobicContact CD1-CG2 4.43Å; L153-T168 HydrophobicContact CD2-CG2 4.41Å; L153-T168 WeakPolarHBondContact CD2-OG1 3.43Å; L153-T168 HydrophobicContact CG-CG2 4.14Å
154S93.1Very high91.6Very high96 Ų9684.9 Ų84.967%0.67146%0.463SS*.THydrogen-bonded Turntrans-65.8-18.5177.771.50000113.8A150 R151 Y152A150-S154 WeakPolarHBondContact O-CB 3.06Å; A150-S154 PolarHBondContact O-N 3.18Å; R151-S154 PolarHBondContact O-OG 3.47Å; Y152-S154 VanDerWaalsContact C-N 3.28Å; Y152-S154 PolarHBondContact O-N 2.85Å
155T92.4Very high91.7Very high110 Ų11082 Ų8268%0.67545%0.448SS*.THydrogen-bonded Turntrans-87.7-13.7174.866.90000113.2Y152 L153Y152-T155 PolarHBondContact O-N 2.84Å; Y152-T155 VanDerWaalsContact O-N 3.08Å; Y152-T155 PolarHBondContact O-OG1 2.97Å; L153-T155 PolarHBondContact O-N 2.77Å
156S88.8Confident92Very high45 Ų4582.4 Ų82.432%0.31545%0.452SS..  trans-84.7138.7179.2-171.50000110.8L153 S158L153-S156 WeakPolarHBondContact O-CB 3.44Å; L153-S156 PolarHBondContact O-N 2.85Å; S156-S158 VanDerWaalsContact C-N 3.26Å; S156-S158 WeakPolarHBondContact OG-CB 3.48Å; S156-S158 PolarHBondContact OG-N 2.99Å; S156-S158 PolarHBondContact OG-OG 3.2Å
157T87.3Confident92Very high154 Ų15484.1 Ų84.195%0.94546%0.459SS*.  trans-83.9-1.9173.457.80000113
158S86.2Confident92Very high56 Ų5680.9 Ų80.939%0.39244%0.436SS..SBendtrans-71147.9179.7610000112.2S156 L160S156-S158 VanDerWaalsContact C-N 3.26Å; S156-S158 WeakPolarHBondContact OG-CB 3.48Å; S156-S158 PolarHBondContact OG-N 2.99Å; S156-S158 PolarHBondContact OG-OG 3.2Å; S158-L160 PolarHBondContact O-N 2.69Å
159T90.9Very high92Very high120 Ų12076.4 Ų76.474%0.73642%0.416SS*.PPolyproline II helixtrans-54.4133.7169.2-510000111.2T161T159-T161 HydrophobicContact CG2-CG2 4.39Å; T159-T161 PolarHBondContact O-N 2.92Å
160L92.9Very high92Very high119 Ų11978.8 Ų78.862%0.62343%0.43SS*.PPolyproline II helixtrans-77.9117.6175.3-170.469000109.2L153 S158 V165L153-L160 HydrophobicContact CB-CD1 4.42Å; L153-L160 HydrophobicContact CD1-CD1 4.03Å; L153-L160 HydrophobicContact CD2-CD1 4.45Å; S158-L160 PolarHBondContact O-N 2.69Å; L160-V165 HydrophobicContact CD1-CG2 3.57Å; L160-V165 HydrophobicContact CG-CG2 4.16Å
161T93.3Very high91.8Very high57 Ų5780.9 Ų80.935%0.3543%0.43SS..  trans-126.5157.9171.881.60000109.9T159 E163 R164 V165T159-T161 HydrophobicContact CG2-CG2 4.39Å; T159-T161 PolarHBondContact O-N 2.92Å; T161-E163 VanDerWaalsContact CB-OE2 3.3Å; T161-E163 WeakPolarHBondContact CB-OE2 3.38Å; T161-E163 PolarHBondContact O-N 2.92Å; T161-E163 PolarHBondContact OG1-OE2 3.34Å; T161-R164 WeakPolarHBondContact O-CB 3.01Å; T161-R164 PolarHBondContact O-N 2.75Å; T161-R164 PolarHBondContact OG1-N 2.84Å; T161-V165 WeakPolarHBondContact O-CG2 3.41Å; T161-V165 PolarHBondContact O-N 3.16Å
162D91.2Very high91.4Very high125 Ų12576.9 Ų76.967%0.66842%0.421SS*.Hα-helixtrans-59.1-37.1178.9-68.6-10000111.5R164 V165 N166D162-R164 VanDerWaalsContact C-N 3.32Å; D162-R164 PolarHBondContact O-N 2.9Å; D162-V165 PolarHBondContact O-N 2.94Å; D162-N166 VanDerWaalsContact O-CB 3.26Å; D162-N166 WeakPolarHBondContact O-CB 3.14Å; D162-N166 PolarHBondContact O-N 2.75Å
163E92.6Very high91.1Very high122 Ų12271.6 Ų71.657%0.5740%0.401SS*.Hα-helixtrans-63.1-41175.6-59.872.7-157.400111.2T161 N166 Q167T161-E163 VanDerWaalsContact CB-OE2 3.3Å; T161-E163 WeakPolarHBondContact CB-OE2 3.38Å; T161-E163 PolarHBondContact O-N 2.92Å; T161-E163 PolarHBondContact OG1-OE2 3.34Å; E163-N166 PolarHBondContact O-N 2.97Å; E163-Q167 WeakPolarHBondContact O-CB 3.25Å; E163-Q167 WeakPolarHBondContact O-CG 3.37Å; E163-Q167 PolarHBondContact O-N 2.62Å
164R92.5Very high90.9Very high76 Ų7675.2 Ų75.229%0.28742%0.416SS..Hα-helixtrans-69.7-40.1-179.8-174.157.1174.8177.42.1111.7L153 T161 D162 T168L153-R164 HydrophobicContact CD2-CG 3.97Å; T161-R164 WeakPolarHBondContact O-CB 3.01Å; T161-R164 PolarHBondContact O-N 2.75Å; T161-R164 PolarHBondContact OG1-N 2.84Å; D162-R164 VanDerWaalsContact C-N 3.32Å; D162-R164 PolarHBondContact O-N 2.9Å; R164-T168 WeakPolarHBondContact O-CB 3.45Å; R164-T168 PolarHBondContact O-N 3.02Å; R164-T168 PolarHBondContact O-OG1 3.04Å
165V92.5Very high90.7Very high24 Ų2470.8 Ų70.815%0.14539%0.385CS..Hα-helixtrans-61.2-49.1172.61780000109.7L153 L160 T161 D162 Q167 T168 I169 W196L153-V165 HydrophobicContact CD1-CB 4.4Å; L153-V165 HydrophobicContact CD1-CG2 3.93Å; L160-V165 HydrophobicContact CD1-CG2 3.57Å; L160-V165 HydrophobicContact CG-CG2 4.16Å; T161-V165 WeakPolarHBondContact O-CG2 3.41Å; T161-V165 PolarHBondContact O-N 3.16Å; D162-V165 PolarHBondContact O-N 2.94Å; V165-Q167 PolarHBondContact O-N 3.01Å; V165-T168 PolarHBondContact O-N 2.77Å; V165-I169 HydrophobicContact CG1-CD1 3.71Å; V165-I169 HydrophobicContact CG1-CG1 4.47Å; V165-I169 WeakPolarHBondContact O-CG1 3.36Å; V165-I169 PolarHBondContact O-N 3.01Å; V165-W196 HydrophobicContact CB-CH2 3.98Å; V165-W196 HydrophobicContact CB-CZ2 4.2Å; V165-W196 HydrophobicContact CG1-CE3 4.37Å; V165-W196 HydrophobicContact CG1-CH2 3.38Å; V165-W196 HydrophobicContact CG1-CZ2 3.75Å; V165-W196 HydrophobicContact CG1-CZ3 3.73Å
166N92.9Very high90.8Very high39 Ų3967.6 Ų67.621%0.20937%0.366CS..Hα-helixtrans-58.9-49.9179.1-172.475.7000112D162 E163 T168 I169 T170 W196D162-N166 VanDerWaalsContact O-CB 3.26Å; D162-N166 WeakPolarHBondContact O-CB 3.14Å; D162-N166 PolarHBondContact O-N 2.75Å; E163-N166 PolarHBondContact O-N 2.97Å; N166-T168 VanDerWaalsContact C-N 3.32Å; N166-T168 PolarHBondContact O-N 2.93Å; N166-I169 PolarHBondContact O-N 3.38Å; N166-T170 WeakPolarHBondContact O-CB 3.49Å; N166-T170 PolarHBondContact O-N 2.77Å; N166-T170 PolarHBondContact O-OG1 2.98Å; N166-W196 HydrophobicContact CB-CZ2 3.97Å; N166-W196 PolarHBondContact OD1-NE1 3.33Å
167Q92.8Very high91.1Very high94 Ų9468 Ų6844%0.43937%0.365SS..Hα-helixtrans-57.1-45.8177-75.7169.7-0.900111.6E163 V165 T170 E171E163-Q167 WeakPolarHBondContact O-CB 3.25Å; E163-Q167 WeakPolarHBondContact O-CG 3.37Å; E163-Q167 PolarHBondContact O-N 2.62Å; V165-Q167 PolarHBondContact O-N 3.01Å; Q167-T170 PolarHBondContact O-N 2.81Å; Q167-E171 VanDerWaalsContact O-CB 3.27Å; Q167-E171 WeakPolarHBondContact O-CB 3.41Å; Q167-E171 VanDerWaalsContact O-CG 3.25Å; Q167-E171 WeakPolarHBondContact O-CG 3.29Å; Q167-E171 PolarHBondContact O-N 3.16Å
168T93.3Very high91.5Very high2 Ų260.9 Ų60.91%0.01232%0.321CS..Hα-helixtrans-62.7-46180-56.60000111.3Y152 L153 R164 V165 N166 E171 L172Y152-T168 HydrophobicContact CD1-CG2 3.63Å; Y152-T168 HydrophobicContact CE1-CG2 4.25Å; Y152-T168 HydrophobicContact CG-CG2 4.47Å; L153-T168 HydrophobicContact CD1-CG2 4.43Å; L153-T168 HydrophobicContact CD2-CG2 4.41Å; L153-T168 WeakPolarHBondContact CD2-OG1 3.43Å; L153-T168 HydrophobicContact CG-CG2 4.14Å; R164-T168 WeakPolarHBondContact O-CB 3.45Å; R164-T168 PolarHBondContact O-N 3.02Å; R164-T168 PolarHBondContact O-OG1 3.04Å; V165-T168 PolarHBondContact O-N 2.77Å; N166-T168 VanDerWaalsContact C-N 3.32Å; N166-T168 PolarHBondContact O-N 2.93Å; T168-E171 PolarHBondContact O-N 2.72Å; T168-L172 HydrophobicContact CG2-CD1 3.97Å; T168-L172 HydrophobicContact CG2-CG 4.46Å; T168-L172 WeakPolarHBondContact O-CB 3.27Å; T168-L172 WeakPolarHBondContact O-CG 3.35Å; T168-L172 PolarHBondContact O-N 3.01Å
169I92.1Very high92Very high4 Ų460.1 Ų60.12%0.02131%0.312CS..Hα-helixtrans-64.1-47.6177.4-68.3168.3000110.1S149 V165 N166 E171 L172 T173 W196S149-I169 VanDerWaalsContact OG-CG1 3.28Å; S149-I169 WeakPolarHBondContact OG-CG1 3.42Å; V165-I169 HydrophobicContact CG1-CD1 3.71Å; V165-I169 HydrophobicContact CG1-CG1 4.47Å; V165-I169 WeakPolarHBondContact O-CG1 3.36Å; V165-I169 PolarHBondContact O-N 3.01Å; N166-I169 PolarHBondContact O-N 3.38Å; I169-E171 VanDerWaalsContact C-N 3.27Å; I169-E171 PolarHBondContact O-N 2.83Å; I169-L172 PolarHBondContact O-N 3.34Å; I169-T173 HydrophobicContact CG2-CG2 3.95Å; I169-T173 VanDerWaalsContact O-CB 3.3Å; I169-T173 WeakPolarHBondContact O-CB 3.3Å; I169-T173 WeakPolarHBondContact O-CG2 3.33Å; I169-T173 PolarHBondContact O-N 2.82Å; I169-T173 PolarHBondContact O-OG1 3.32Å; I169-W196 HydrophobicContact CB-CG 4.45Å; I169-W196 HydrophobicContact CD1-CB 4.02Å; I169-W196 HydrophobicContact CD1-CD2 3.33Å; I169-W196 HydrophobicContact CD1-CE3 3.65Å; I169-W196 HydrophobicContact CD1-CG 3.48Å; I169-W196 VanDerWaalsContact CD1-CG 3.48Å; I169-W196 HydrophobicContact CD1-CZ2 4.41Å; I169-W196 HydrophobicContact CD1-CZ3 4.3Å; I169-W196 HydrophobicContact CG2-CB 4.12Å; I169-W196 HydrophobicContact CG2-CG 4.01Å
170T91.4Very high92.3Very high52 Ų5254.4 Ų54.432%0.31928%0.277SS..Hα-helixtrans-59.8-38.5177.3-57.90000111.7N166 Q167 K174N166-T170 WeakPolarHBondContact O-CB 3.49Å; N166-T170 PolarHBondContact O-N 2.77Å; N166-T170 PolarHBondContact O-OG1 2.98Å; Q167-T170 PolarHBondContact O-N 2.81Å; T170-K174 VanDerWaalsContact O-CA 3.26Å; T170-K174 WeakPolarHBondContact O-CA 3.08Å; T170-K174 PolarHBondContact O-N 2.83Å
171E89.8Confident92.4Very high100 Ų10048.7 Ų48.747%0.46725%0.247SC..Hα-helixtrans-70.4-39178.9-79.2175-166.700113.3Q167 T168 I169 K174Q167-E171 VanDerWaalsContact O-CB 3.27Å; Q167-E171 WeakPolarHBondContact O-CB 3.41Å; Q167-E171 VanDerWaalsContact O-CG 3.25Å; Q167-E171 WeakPolarHBondContact O-CG 3.29Å; Q167-E171 PolarHBondContact O-N 3.16Å; T168-E171 PolarHBondContact O-N 2.72Å; I169-E171 VanDerWaalsContact C-N 3.27Å; I169-E171 PolarHBondContact O-N 2.83Å; E171-K174 WeakPolarHBondContact O-CD 3.36Å; E171-K174 WeakPolarHBondContact O-CE 3.25Å; E171-K174 PolarHBondContact O-NZ 2.93Å
172L87.4Confident92.5Very high83 Ų8346 Ų4644%0.43523%0.231SC..Hα-helixtrans-76.9-40.6179.3-70.8176.8000112S149 T168 I169S149-L172 WeakPolarHBondContact OG-CD1 3.32Å; T168-L172 HydrophobicContact CG2-CD1 3.97Å; T168-L172 HydrophobicContact CG2-CG 4.46Å; T168-L172 WeakPolarHBondContact O-CB 3.27Å; T168-L172 WeakPolarHBondContact O-CG 3.35Å; T168-L172 PolarHBondContact O-N 3.01Å; I169-L172 PolarHBondContact O-N 3.34Å
173T86.6Confident92.6Very high6 Ų640.8 Ų40.84%0.03720%0.202CC..Hα-helixtrans-81.5-33.4-177.363.30000112.2Q145 I169 V175 Q197Q145-T173 HydrophobicContact CB-CG2 3.68Å; Q145-T173 HydrophobicContact CG-CG2 3.64Å; I169-T173 HydrophobicContact CG2-CG2 3.95Å; I169-T173 VanDerWaalsContact O-CB 3.3Å; I169-T173 WeakPolarHBondContact O-CB 3.3Å; I169-T173 WeakPolarHBondContact O-CG2 3.33Å; I169-T173 PolarHBondContact O-N 2.82Å; I169-T173 PolarHBondContact O-OG1 3.32Å; T173-V175 WeakPolarHBondContact O-CG2 3.27Å; T173-V175 PolarHBondContact O-N 3.31Å; T173-V175 VanDerWaalsContact O-N 3.16Å; T173-V175 PolarHBondContact OG1-N 2.95Å; T173-Q197 PolarHBondContact OG1-NE2 3.37Å; T173-Q197 VanDerWaalsContact OG1-NE2 3.08Å
174K88.7Confident92.6Very high95 Ų9535 Ų3541%0.41318%0.175SC..  trans53.826.2-171.8-57.4-60.9-167.9-1490112.9I116 T170 E171I116-K174 HydrophobicContact CD1-CB 3.48Å; I116-K174 VanDerWaalsContact CD1-CB 3.48Å; I116-K174 HydrophobicContact CD1-CG 4.5Å; I116-K174 HydrophobicContact CG1-CB 3.83Å; I116-K174 HydrophobicContact CG1-CG 4.36Å; T170-K174 VanDerWaalsContact O-CA 3.26Å; T170-K174 WeakPolarHBondContact O-CA 3.08Å; T170-K174 PolarHBondContact O-N 2.83Å; E171-K174 WeakPolarHBondContact O-CD 3.36Å; E171-K174 WeakPolarHBondContact O-CE 3.25Å; E171-K174 PolarHBondContact O-NZ 2.93Å
175V90.1Very high92.5Very high4 Ų431.6 Ų31.62%0.02416%0.164CC..  trans-114.7128.9177.41780000108.7H53 T173 L194H53-V175 WeakPolarHBondContact CE1-CG1 3.16Å; T173-V175 WeakPolarHBondContact O-CG2 3.27Å; T173-V175 PolarHBondContact O-N 3.31Å; T173-V175 VanDerWaalsContact O-N 3.16Å; T173-V175 PolarHBondContact OG1-N 2.95Å; V175-L194 HydrophobicContact CG1-CD1 4Å; V175-L194 HydrophobicContact CG1-CD2 4.21Å
176P93.5Very high92Very high43 Ų4338.5 Ų38.528%0.27920%0.199SC..PPolyproline II helixtrans-73.4167.6178.231.2-35.1000112.5H53 Y82H53-P176 HydrophobicContact CB-CG 4.33Å; H53-P176 PolarHBondContact CE1-O 3.11Å; H53-P176 PolarHBondContact ND1-O 2.81Å; Y82-P176 HydrophobicContact CD1-CG 4.04Å; Y82-P176 HydrophobicContact CD2-CG 3.6Å; Y82-P176 HydrophobicContact CE1-CG 4.3Å; Y82-P176 HydrophobicContact CE2-CG 3.89Å; Y82-P176 HydrophobicContact CG-CG 3.69Å
177D95Very high91.5Very high54 Ų5438.7 Ų38.729%0.28920%0.203SC..PPolyproline II helixtrans-51.6143.3171.1-75.82.8000110.8H53 Q197 R199H53-D177 WeakPolarHBondContact CB-O 3.45Å; H53-D177 PolarHBondContact ND1-O 2.91Å; D177-Q197 WeakPolarHBondContact CA-O 2.75Å; D177-R199 IonicContact OD2-CZ 3.34Å; D177-R199 IonicContact OD2-NE 2.75Å; D177-R199 PolarHBondContact OD2-NE 3.24Å; D177-R199 IonicContact OD2-NH2 2.81Å; D177-R199 PolarHBondContact OD2-NH2 3.28Å
178V96.1Very high90.6Very high3 Ų339.3 Ų39.32%0.01822%0.218CC..PPolyproline II helixtrans-91.1126.8-178-179.30000108.8H53 T181 L194 Q197 S201H53-V178 VanDerWaalsContact CE1-CG2 3.49Å; H53-V178 WeakPolarHBondContact CE1-CG2 3.34Å; V178-T181 WeakPolarHBondContact CG1-OG1 3.18Å; V178-L194 HydrophobicContact CG2-CD1 3.84Å; V178-Q197 HydrophobicContact CG2-CB 4.27Å; V178-Q197 PolarHBondContact N-O 2.85Å; V178-S201 VanDerWaalsContact O-CA 3.27Å; V178-S201 WeakPolarHBondContact O-CA 3.02Å; V178-S201 WeakPolarHBondContact O-CB 3.07Å
179D96.7Very high90.1Very high40 Ų4042 Ų4221%0.21424%0.237CC..SBendtrans-85.3-40.5177.4-70.1-54.5000112.1P51 Q52 H53 E202 F224P51-D179 HydrophobicContact CB-CB 3.64Å; Q52-D179 WeakPolarHBondContact CA-OD2 3.45Å; Q52-D179 WeakPolarHBondContact CB-OD2 3.44Å; Q52-D179 PolarHBondContact N-OD2 2.96Å; H53-D179 PolarHBondContact N-OD2 2.7Å; H53-D179 PolarHBondContact O-N 3.4Å; D179-E202 PolarHBondContact O-N 3.01Å; D179-F224 HydrophobicContact CB-CE2 4.15Å; D179-F224 HydrophobicContact CB-CZ 3.89Å; D179-F224 WeakPolarHBondContact O-CE2 3.45Å
180L96.6Very high89.5Confident0 Ų044.2 Ų44.20%025%0.247CC..EExtended strand (participates in β ladder)trans-139.3123.6-173.9172.461.1000110.2P51 H53 I54 S55 I182 E202 I204 I220 F224P51-L180 HydrophobicContact CB-CB 4.13Å; P51-L180 HydrophobicContact CG-CB 4.45Å; P51-L180 HydrophobicContact CG-CD2 4.34Å; H53-L180 PolarHBondContact O-N 2.67Å; I54-L180 CarbonylContact C-O 3.53Å; I54-L180 VanDerWaalsContact CA-O 3.29Å; I54-L180 WeakPolarHBondContact CA-O 3.04Å; I54-L180 HydrophobicContact CD1-CD2 4.38Å; I54-L180 HydrophobicContact CG1-CB 4.46Å; I54-L180 HydrophobicContact CG1-CD2 4.46Å; S55-L180 PolarHBondContact N-O 3.08Å; L180-I182 HydrophobicContact CD1-CG1 4.29Å; L180-I182 HydrophobicContact CD2-CD1 4.09Å; L180-I182 HydrophobicContact CD2-CG1 4.19Å; L180-I182 HydrophobicContact CG-CD1 4.39Å; L180-I182 HydrophobicContact CG-CG1 3.99Å; L180-E202 CarbonylContact C-O 3.58Å; L180-E202 WeakPolarHBondContact CA-O 3.3Å; L180-E202 HydrophobicContact CD1-CB 4.3Å; L180-I204 HydrophobicContact CD1-CB 4.18Å; L180-I204 HydrophobicContact CD1-CD1 3.67Å; L180-I204 HydrophobicContact CD1-CG1 3.75Å; L180-I220 HydrophobicContact CD2-CG2 4.35Å; L180-F224 HydrophobicContact CB-CD2 3.91Å; L180-F224 HydrophobicContact CB-CE2 4.15Å; L180-F224 HydrophobicContact CB-CG 4.32Å; L180-F224 HydrophobicContact CD1-CB 4.2Å; L180-F224 HydrophobicContact CD1-CD2 4.16Å; L180-F224 HydrophobicContact CD1-CG 4.45Å; L180-F224 HydrophobicContact CD2-CB 3.91Å; L180-F224 HydrophobicContact CD2-CD2 4.45Å; L180-F224 HydrophobicContact CD2-CG 4.11Å; L180-F224 HydrophobicContact CG-CD2 4.39Å
181T95.6Very high88.9Confident0 Ų042.7 Ų42.70%024%0.238CC..EExtended strand (participates in β ladder)trans-109.3123.6172.3-61.80000109.2S55 V57 V178 H183 S201 E202 F203 I204S55-T181 CarbonylContact O-C 3.45Å; S55-T181 WeakPolarHBondContact O-CA 3.38Å; V57-T181 HydrophobicContact CG2-CG2 3.95Å; V178-T181 WeakPolarHBondContact CG1-OG1 3.18Å; T181-H183 WeakPolarHBondContact CG2-NE2 3.42Å; T181-S201 WeakPolarHBondContact CB-OG 3.3Å; T181-S201 PolarHBondContact N-OG 3.49Å; T181-S201 PolarHBondContact OG1-OG 3.44Å; T181-E202 PolarHBondContact N-O 3Å; T181-F203 HydrophobicContact CG2-CD1 3.84Å; T181-F203 HydrophobicContact CG2-CE1 3.83Å; T181-F203 WeakPolarHBondContact O-CA 3.31Å; T181-I204 PolarHBondContact O-N 2.86Å
182I95Very high88.4Confident0 Ų038.3 Ų38.30%022%0.22CC..EExtended strand (participates in β ladder)trans-106113.2179.5-58.5172.2000108.5I54 S55 F56 V57 L180 I204 C206 F217 I220I54-I182 HydrophobicContact CG2-CD1 3.92Å; I54-I182 HydrophobicContact CG2-CG1 4.36Å; S55-I182 PolarHBondContact O-N 3Å; F56-I182 WeakPolarHBondContact CA-O 3.29Å; F56-I182 HydrophobicContact CD1-CB 3.95Å; F56-I182 HydrophobicContact CD1-CG2 3.98Å; F56-I182 HydrophobicContact CE1-CB 3.92Å; F56-I182 HydrophobicContact CE1-CD1 3.93Å; F56-I182 HydrophobicContact CE1-CG2 3.74Å; F56-I182 HydrophobicContact CE2-CD1 3.81Å; F56-I182 HydrophobicContact CG-CB 4.3Å; F56-I182 HydrophobicContact CZ-CB 4.27Å; F56-I182 HydrophobicContact CZ-CD1 3.45Å; F56-I182 VanDerWaalsContact CZ-CD1 3.45Å; F56-I182 HydrophobicContact CZ-CG1 4.42Å; F56-I182 HydrophobicContact CZ-CG2 4.39Å; V57-I182 PolarHBondContact N-O 3.09Å; L180-I182 HydrophobicContact CD1-CG1 4.29Å; L180-I182 HydrophobicContact CD2-CD1 4.09Å; L180-I182 HydrophobicContact CD2-CG1 4.19Å; L180-I182 HydrophobicContact CG-CD1 4.39Å; L180-I182 HydrophobicContact CG-CG1 3.99Å; I182-I204 VanDerWaalsContact CA-O 3.25Å; I182-I204 WeakPolarHBondContact CA-O 3.3Å; I182-C206 HydrophobicContact CG2-CB 3.6Å; I182-F217 HydrophobicContact CD1-CE2 4.3Å; I182-I220 HydrophobicContact CD1-CG2 3.66Å; I182-I220 HydrophobicContact CG1-CG2 3.94Å; I182-I220 HydrophobicContact CG2-CD1 4.43Å
183H93.5Very high88.3Confident16 Ų1634.4 Ų34.47%0.07420%0.199CC..EExtended strand (participates in β ladder)trans-88.7118176-68.9-179.2000109.5T181 S189 F203 I204 C206T181-H183 WeakPolarHBondContact CG2-NE2 3.42Å; H183-S189 PolarHBondContact CE1-O 2.84Å; H183-S189 PolarHBondContact ND1-O 2.99Å; H183-F203 AromaticContact CE1-CD1 3.85Å; H183-F203 AromaticContact NE2-CD1 3.6Å; H183-I204 PolarHBondContact N-O 2.86Å; H183-C206 PolarHBondContact O-N 3.31Å; H183-C206 VanDerWaalsContact O-O 3.06Å
184C93.3Very high88.4Confident0 Ų034.1 Ų34.10%020%0.198CC..EExtended strand (participates in β ladder)trans-102.9117.3-179.9-67.80000111.1V57 F59 C206 V209V57-C184 PolarHBondContact O-N 3.39Å; F59-C184 WeakPolarHBondContact CB-O 3.49Å; F59-C184 PolarHBondContact N-O 3.04Å; C184-C206 VanDerWaalsContact CA-O 3.29Å; C184-C206 WeakPolarHBondContact CA-O 3.21Å; C184-V209 HydrophobicContact CB-CG2 3.54Å; C184-V209 WeakPolarHBondContact SG-CG2 3.41Å
185G90.2Very high88.6Confident4 Ų431.4 Ų31.44%0.04119%0.19CC..SBendtrans119.5-170.2-178.800000113.1Q205 C206 P207G185-Q205 PolarHBondContact O-NE2 2.82Å; G185-C206 PolarHBondContact N-O 3.04Å; G185-P207 WeakPolarHBondContact CA-O 3.43Å; G185-P207 PolarHBondContact N-O 3.48Å
186L81.3Confident88.7Confident170 Ų17034.5 Ų34.589%0.8920%0.201SC*.SBendtrans-87.4-7.9-174.9-61.2178.1000113.9
187S81.5Confident88.7Confident43 Ų4332.6 Ų32.630%0.30119%0.188SC..  trans-83.5140.9177.2-175.80000111F59 S189F59-S187 VanDerWaalsContact CD1-CB 3.41Å; F59-S187 WeakPolarHBondContact CE1-OG 3.32Å; F59-S187 VanDerWaalsContact CG-CB 3.49Å; S187-S189 PolarHBondContact OG-N 3.46Å
188S74.5Confident88.7Confident107 Ų10730.4 Ų30.475%0.74818%0.177SC*.  trans-100.57.9173550000113.2
189S84Confident88.4Confident59 Ų5936.7 Ų36.741%0.41320%0.201SC..  trans-70.4153.9177.2-176.50000111.8F59 H183 S187 S191F59-S189 VanDerWaalsContact CE2-O 3.3Å; F59-S189 WeakPolarHBondContact CE2-O 3.2Å; F59-S189 WeakPolarHBondContact CZ-O 3.37Å; H183-S189 PolarHBondContact CE1-O 2.84Å; H183-S189 PolarHBondContact ND1-O 2.99Å; S187-S189 PolarHBondContact OG-N 3.46Å; S189-S191 PolarHBondContact OG-N 3.29Å; S189-S191 VanDerWaalsContact OG-N 3.15Å
190F78.6Confident88.2Confident49 Ų4939.3 Ų39.322%0.21521%0.21CC..  trans-88.9-18170.7176.8-116.1000112.9G192 L193 P195 S198 F203F190-G192 PolarHBondContact O-N 3.01Å; F190-L193 WeakPolarHBondContact CE1-O 3.26Å; F190-L193 WeakPolarHBondContact CE2-O 3.4Å; F190-L193 WeakPolarHBondContact CZ-O 3.42Å; F190-L193 PolarHBondContact O-N 3.4Å; F190-P195 HydrophobicContact CE1-CB 4.15Å; F190-S198 VanDerWaalsContact CZ-CB 3.47Å; F190-S198 WeakPolarHBondContact CZ-OG 3.35Å; F190-F203 AromaticContact CD2-CE1 3.49Å; F190-F203 HydrophobicContact CD2-CE1 3.49Å; F190-F203 VanDerWaalsContact CD2-CE1 3.49Å; F190-F203 HydrophobicContact CD2-CZ 4.09Å; F190-F203 AromaticContact CE2-CE1 3.69Å; F190-F203 HydrophobicContact CE2-CE1 3.69Å; F190-F203 HydrophobicContact CE2-CZ 4.05Å
191S78.9Confident88.1Confident21 Ų2139.7 Ų39.715%0.14721%0.213CC..THydrogen-bonded Turntrans56.916178.3-57.80000116.7F59 M88 S189 L193F59-S191 WeakPolarHBondContact CE1-OG 3.39Å; F59-S191 WeakPolarHBondContact CZ-OG 3.27Å; M88-S191 WeakPolarHBondContact SD-CB 3.36Å; M88-S191 PolarHBondContact SD-OG 2.83Å; S189-S191 PolarHBondContact OG-N 3.29Å; S189-S191 VanDerWaalsContact OG-N 3.15Å; S191-L193 VanDerWaalsContact C-N 3.32Å; S191-L193 PolarHBondContact O-N 3.48Å
192G79.5Confident88.1Confident8 Ų842 Ų428%0.08222%0.224CC..THydrogen-bonded Turntrans75.416.4174.300000114.9F190 L194 P195F190-G192 PolarHBondContact O-N 3.01Å; G192-L194 PolarHBondContact O-N 2.85Å; G192-P195 WeakPolarHBondContact O-CD 3.32Å
193L84.3Confident88.1Confident0 Ų046.9 Ų46.90%025%0.245CC..SBendtrans-77.7112.8-179.6-177.369.2000111.5S55 V57 S86 L137 F190 S191S55-L193 WeakPolarHBondContact OG-CD2 3.27Å; V57-L193 HydrophobicContact CG2-CB 4.31Å; V57-L193 HydrophobicContact CG2-CD2 3.83Å; S86-L193 WeakPolarHBondContact OG-CD2 3.41Å; L137-L193 HydrophobicContact CB-CD1 3.64Å; L137-L193 HydrophobicContact CD1-CD1 3.59Å; L137-L193 HydrophobicContact CD1-CG 4.48Å; L137-L193 HydrophobicContact CG-CD1 4.25Å; F190-L193 WeakPolarHBondContact CE1-O 3.26Å; F190-L193 WeakPolarHBondContact CE2-O 3.4Å; F190-L193 WeakPolarHBondContact CZ-O 3.42Å; F190-L193 PolarHBondContact O-N 3.4Å; S191-L193 VanDerWaalsContact C-N 3.32Å; S191-L193 PolarHBondContact O-N 3.48Å
194L90.2Very high88.1Confident1 Ų146.5 Ų46.51%0.00524%0.243CC..SBendtrans54.755.3178.4-56.4171.9000113.4L137 V175 V178 G192 W196 Q197 S198L137-L194 HydrophobicContact CD1-CD1 4.01Å; L137-L194 HydrophobicContact CD1-CD2 3.95Å; L137-L194 HydrophobicContact CD1-CG 3.93Å; V175-L194 HydrophobicContact CG1-CD1 4Å; V175-L194 HydrophobicContact CG1-CD2 4.21Å; V178-L194 HydrophobicContact CG2-CD1 3.84Å; G192-L194 PolarHBondContact O-N 2.85Å; L194-W196 VanDerWaalsContact C-N 3.27Å; L194-W196 PolarHBondContact O-N 3.35Å; L194-Q197 HydrophobicContact CB-CB 4.19Å; L194-Q197 PolarHBondContact O-N 3.27Å; L194-S198 VanDerWaalsContact O-CB 3.32Å; L194-S198 WeakPolarHBondContact O-CB 3.38Å; L194-S198 PolarHBondContact O-N 3.34Å; L194-S198 PolarHBondContact O-OG 3.43Å
195P91.5Very high88.1Confident37 Ų3751.7 Ų51.724%0.2427%0.268CS..THydrogen-bonded Turntrans-63-30.9-171.923.5-31.6000113.5I146 F190 G192I146-P195 HydrophobicContact CD1-CB 4.24Å; I146-P195 HydrophobicContact CD1-CG 3.52Å; I146-P195 HydrophobicContact CG1-CG 4.38Å; F190-P195 HydrophobicContact CE1-CB 4.15Å; G192-P195 WeakPolarHBondContact O-CD 3.32Å
196W93.2Very high88.2Confident69 Ų6951.6 Ų51.626%0.26127%0.266SS..THydrogen-bonded Turntrans-76-49.3176.8-174.4-89.9000112.1V165 N166 I169 L194 S198 R199V165-W196 HydrophobicContact CB-CH2 3.98Å; V165-W196 HydrophobicContact CB-CZ2 4.2Å; V165-W196 HydrophobicContact CG1-CE3 4.37Å; V165-W196 HydrophobicContact CG1-CH2 3.38Å; V165-W196 HydrophobicContact CG1-CZ2 3.75Å; V165-W196 HydrophobicContact CG1-CZ3 3.73Å; N166-W196 HydrophobicContact CB-CZ2 3.97Å; N166-W196 PolarHBondContact OD1-NE1 3.33Å; I169-W196 HydrophobicContact CB-CG 4.45Å; I169-W196 HydrophobicContact CD1-CB 4.02Å; I169-W196 HydrophobicContact CD1-CD2 3.33Å; I169-W196 HydrophobicContact CD1-CE3 3.65Å; I169-W196 HydrophobicContact CD1-CG 3.48Å; I169-W196 VanDerWaalsContact CD1-CG 3.48Å; I169-W196 HydrophobicContact CD1-CZ2 4.41Å; I169-W196 HydrophobicContact CD1-CZ3 4.3Å; I169-W196 HydrophobicContact CG2-CB 4.12Å; I169-W196 HydrophobicContact CG2-CG 4.01Å; L194-W196 VanDerWaalsContact C-N 3.27Å; L194-W196 PolarHBondContact O-N 3.35Å; W196-S198 PolarHBondContact O-N 3.34Å; W196-R199 PolarHBondContact O-N 2.88Å
197Q93.7Very high88.6Confident3 Ų348.6 Ų48.61%0.01426%0.257CS..THydrogen-bonded Turntrans-69.2-20.4-175.8-65.387.1-21.400112.9T173 D177 V178 L194T173-Q197 PolarHBondContact OG1-NE2 3.37Å; T173-Q197 VanDerWaalsContact OG1-NE2 3.08Å; D177-Q197 WeakPolarHBondContact CA-O 2.75Å; V178-Q197 HydrophobicContact CG2-CB 4.27Å; V178-Q197 PolarHBondContact N-O 2.85Å; L194-Q197 HydrophobicContact CB-CB 4.19Å; L194-Q197 PolarHBondContact O-N 3.27Å
198S93.5Very high89.2Confident8 Ų847.7 Ų47.76%0.05625%0.251CS..THydrogen-bonded Turntrans-92.28.2-176.6-54.20000113.8F190 L194 W196 F200 S201F190-S198 VanDerWaalsContact CZ-CB 3.47Å; F190-S198 WeakPolarHBondContact CZ-OG 3.35Å; L194-S198 VanDerWaalsContact O-CB 3.32Å; L194-S198 WeakPolarHBondContact O-CB 3.38Å; L194-S198 PolarHBondContact O-N 3.34Å; L194-S198 PolarHBondContact O-OG 3.43Å; W196-S198 PolarHBondContact O-N 3.34Å; S198-F200 PolarHBondContact O-N 2.81Å; S198-S201 WeakPolarHBondContact O-CB 3.35Å; S198-S201 PolarHBondContact O-N 3.25Å
199R91.4Very high90.1Very high135 Ų13542.7 Ų42.751%0.50922%0.216SC..THydrogen-bonded Turntrans-48.4-29.7-17959.2171.7178.1174.9-1.3114.7D177 W196D177-R199 IonicContact OD2-CZ 3.34Å; D177-R199 IonicContact OD2-NE 2.75Å; D177-R199 PolarHBondContact OD2-NE 3.24Å; D177-R199 IonicContact OD2-NH2 2.81Å; D177-R199 PolarHBondContact OD2-NH2 3.28Å; W196-R199 PolarHBondContact O-N 2.88Å
200F92Very high90.5Very high95 Ų9545.5 Ų45.542%0.41722%0.217SC..THydrogen-bonded Turntrans-128.414.4-177.2-56.8-43.2000113.3S198 Q229 W231S198-F200 PolarHBondContact O-N 2.81Å; F200-Q229 PolarHBondContact O-NE2 3.06Å; F200-Q229 VanDerWaalsContact O-NE2 3.16Å; F200-W231 HydrophobicContact CB-CH2 3.58Å; F200-W231 HydrophobicContact CB-CZ3 3.55Å; F200-W231 HydrophobicContact CD1-CE3 4.1Å; F200-W231 HydrophobicContact CD1-CH2 4.24Å; F200-W231 AromaticContact CD1-CZ3 3.34Å; F200-W231 HydrophobicContact CD1-CZ3 3.34Å; F200-W231 HydrophobicContact CD2-CE3 4.45Å; F200-W231 AromaticContact CD2-CH2 3.78Å; F200-W231 HydrophobicContact CD2-CH2 3.78Å; F200-W231 AromaticContact CD2-CZ3 3.5Å; F200-W231 HydrophobicContact CD2-CZ3 3.5Å; F200-W231 HydrophobicContact CE1-CE3 4.06Å; F200-W231 AromaticContact CE1-CZ3 3.73Å; F200-W231 HydrophobicContact CE1-CZ3 3.73Å; F200-W231 HydrophobicContact CE2-CE3 4.44Å; F200-W231 HydrophobicContact CE2-CH2 4.45Å; F200-W231 AromaticContact CE2-CZ3 3.9Å; F200-W231 HydrophobicContact CE2-CZ3 3.9Å; F200-W231 HydrophobicContact CG-CE3 4.28Å; F200-W231 AromaticContact CG-CH2 3.65Å; F200-W231 HydrophobicContact CG-CH2 3.65Å; F200-W231 AromaticContact CG-CZ3 3.19Å; F200-W231 HydrophobicContact CG-CZ3 3.19Å; F200-W231 HydrophobicContact CZ-CE3 4.24Å; F200-W231 AromaticContact CZ-CZ3 4Å; F200-W231 HydrophobicContact CZ-CZ3 4Å
201S94.8Very high90.9Very high8 Ų845.8 Ų45.86%0.05623%0.234CC..  trans-65.2136175.41790000109.3V178 T181 S198 F203V178-S201 VanDerWaalsContact O-CA 3.27Å; V178-S201 WeakPolarHBondContact O-CA 3.02Å; V178-S201 WeakPolarHBondContact O-CB 3.07Å; T181-S201 WeakPolarHBondContact CB-OG 3.3Å; T181-S201 PolarHBondContact N-OG 3.49Å; T181-S201 PolarHBondContact OG1-OG 3.44Å; S198-S201 WeakPolarHBondContact O-CB 3.35Å; S198-S201 PolarHBondContact O-N 3.25Å; S201-F203 VanDerWaalsContact O-CD2 3.25Å; S201-F203 WeakPolarHBondContact O-CD2 3.04Å; S201-F203 WeakPolarHBondContact O-CE2 3.38Å
202E95.3Very high91.6Very high50 Ų5045.8 Ų45.823%0.23423%0.233CC..EExtended strand (participates in β ladder)trans-75140.2163.8-64.5-58154.900109.3D179 L180 T181 F224 V227D179-E202 PolarHBondContact O-N 3.01Å; L180-E202 CarbonylContact C-O 3.58Å; L180-E202 WeakPolarHBondContact CA-O 3.3Å; L180-E202 HydrophobicContact CD1-CB 4.3Å; T181-E202 PolarHBondContact N-O 3Å; E202-F224 HydrophobicContact CB-CD2 3.88Å; E202-F224 HydrophobicContact CB-CE2 4.26Å; E202-F224 HydrophobicContact CG-CD2 3.85Å; E202-F224 HydrophobicContact CG-CE2 3.94Å; E202-V227 VanDerWaalsContact CD-CG1 3.44Å; E202-V227 HydrophobicContact CG-CB 4.33Å; E202-V227 HydrophobicContact CG-CG1 4.11Å; E202-V227 HydrophobicContact CG-CG2 4.45Å; E202-V227 WeakPolarHBondContact OE1-CG1 3.4Å
203F94Very high92.2Very high102 Ų10252.7 Ų52.745%0.44726%0.256SS..EExtended strand (participates in β ladder)trans-110.4118.6179.9-64.8-87.5000110T181 H183 F190 S201T181-F203 HydrophobicContact CG2-CD1 3.84Å; T181-F203 HydrophobicContact CG2-CE1 3.83Å; T181-F203 WeakPolarHBondContact O-CA 3.31Å; H183-F203 AromaticContact CE1-CD1 3.85Å; H183-F203 AromaticContact NE2-CD1 3.6Å; F190-F203 AromaticContact CD2-CE1 3.49Å; F190-F203 HydrophobicContact CD2-CE1 3.49Å; F190-F203 VanDerWaalsContact CD2-CE1 3.49Å; F190-F203 HydrophobicContact CD2-CZ 4.09Å; F190-F203 AromaticContact CE2-CE1 3.69Å; F190-F203 HydrophobicContact CE2-CE1 3.69Å; F190-F203 HydrophobicContact CE2-CZ 4.05Å; S201-F203 VanDerWaalsContact O-CD2 3.25Å; S201-F203 WeakPolarHBondContact O-CD2 3.04Å; S201-F203 WeakPolarHBondContact O-CE2 3.38Å
204I94Very high92.4Very high7 Ų753.6 Ų53.64%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-124.3128.4177.6-57.6-179.6000109.4L180 T181 I182 H183 I220 R223 F224L180-I204 HydrophobicContact CD1-CB 4.18Å; L180-I204 HydrophobicContact CD1-CD1 3.67Å; L180-I204 HydrophobicContact CD1-CG1 3.75Å; T181-I204 PolarHBondContact O-N 2.86Å; I182-I204 VanDerWaalsContact CA-O 3.25Å; I182-I204 WeakPolarHBondContact CA-O 3.3Å; H183-I204 PolarHBondContact N-O 2.86Å; I204-I220 HydrophobicContact CB-CG2 4.16Å; I204-I220 HydrophobicContact CD1-CG2 4.14Å; I204-I220 WeakPolarHBondContact CD1-O 3.33Å; I204-I220 HydrophobicContact CG2-CB 4.49Å; I204-I220 HydrophobicContact CG2-CG1 4.24Å; I204-I220 HydrophobicContact CG2-CG2 3.87Å; I204-R223 HydrophobicContact CD1-CB 4.14Å; I204-R223 HydrophobicContact CD1-CG 4.03Å; I204-F224 HydrophobicContact CD1-CB 4Å
205Q92.7Very high92.3Very high109 Ų10956.6 Ų56.651%0.50928%0.282SS..EExtended strand (participates in β ladder)trans-82139.5176.3-168.8174.10.800111.3G185G185-Q205 PolarHBondContact O-NE2 2.82Å
206C92.6Very high92.3Very high2 Ų256.8 Ų56.81%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-122.4128.6171.6-178.90000108.2I182 H183 C184 G185 S208 L212 I220I182-C206 HydrophobicContact CG2-CB 3.6Å; H183-C206 PolarHBondContact O-N 3.31Å; H183-C206 VanDerWaalsContact O-O 3.06Å; C184-C206 VanDerWaalsContact CA-O 3.29Å; C184-C206 WeakPolarHBondContact CA-O 3.21Å; G185-C206 PolarHBondContact N-O 3.04Å; C206-S208 VanDerWaalsContact C-N 3.29Å; C206-S208 PolarHBondContact O-N 2.75Å; C206-S208 PolarHBondContact SG-O 3.27Å; C206-L212 VanDerWaalsContact SG-CD1 3.58Å; C206-I220 HydrophobicContact CB-CD1 3.9Å
207P90.8Very high92.3Very high107 Ų10753.5 Ų53.570%0.69527%0.268SS*.SBendtrans-58.9-39.4-175.8-26.234.5000113.7G185G185-P207 WeakPolarHBondContact CA-O 3.43Å; G185-P207 PolarHBondContact N-O 3.48Å
208S93.2Very high92.1Very high24 Ų2457 Ų5717%0.16828%0.281CS..  trans-158.6148.2179.4179.10000111.5E60 C206 R210E60-S208 VanDerWaalsContact OE1-C 3.32Å; E60-S208 WeakPolarHBondContact OE1-CA 3.46Å; E60-S208 WeakPolarHBondContact OE1-CB 3.45Å; E60-S208 PolarHBondContact OE1-OG 3.03Å; E60-S208 PolarHBondContact OE2-OG 3.12Å; C206-S208 VanDerWaalsContact C-N 3.29Å; C206-S208 PolarHBondContact O-N 2.75Å; C206-S208 PolarHBondContact SG-O 3.27Å; S208-R210 WeakPolarHBondContact OG-CB 3.28Å; S208-R210 PolarHBondContact OG-N 3.16Å; S208-R210 PolarHBondContact OG-O 3.13Å
209V93.6Very high91.9Very high2 Ų263.2 Ų63.21%0.01231%0.31CS..SBendtrans-73.4-33.9163.2170.20000110.6I58 E60 D67 I68 L71 C184 G211 L212I58-V209 HydrophobicContact CD1-CG2 4.09Å; I58-V209 HydrophobicContact CG1-CG2 3.99Å; I58-V209 HydrophobicContact CG2-CG2 4.38Å; E60-V209 PolarHBondContact OE1-N 2.72Å; D67-V209 HydrophobicContact CB-CG1 3.71Å; I68-V209 HydrophobicContact CD1-CG1 4.15Å; L71-V209 HydrophobicContact CD1-CG1 4.03Å; L71-V209 HydrophobicContact CD1-CG2 4.32Å; C184-V209 HydrophobicContact CB-CG2 3.54Å; C184-V209 WeakPolarHBondContact SG-CG2 3.41Å; V209-G211 PolarHBondContact O-N 3.34Å; V209-L212 WeakPolarHBondContact O-CB 3.39Å; V209-L212 PolarHBondContact O-N 2.96Å; V209-L212 VanDerWaalsContact O-N 3.16Å
210R92.5Very high92Very high118 Ų11857.6 Ų57.645%0.44529%0.289SS..THydrogen-bonded Turntrans-69117.6-175.8-165.4-169.3-44.992.810.8110.1E60 I62 S208 L212E60-R210 IonicContact OE2-CZ 2.7Å; E60-R210 VanDerWaalsContact OE2-CZ 3.27Å; E60-R210 IonicContact OE2-NH1 3.62Å; E60-R210 PolarHBondContact OE2-NH1 3.03Å; E60-R210 IonicContact OE2-NH2 3.27Å; E60-R210 PolarHBondContact OE2-NH2 3.31Å; I62-R210 PolarHBondContact O-NE 3.18Å; I62-R210 PolarHBondContact O-NH2 2.97Å; S208-R210 WeakPolarHBondContact OG-CB 3.28Å; S208-R210 PolarHBondContact OG-N 3.16Å; S208-R210 PolarHBondContact OG-O 3.13Å; R210-L212 PolarHBondContact O-N 3.32Å
211G87.6Confident92.1Very high55 Ų5553.1 Ų53.157%0.56727%0.27SS*.THydrogen-bonded Turntrans68.715.8-17800000113.8V209 R213V209-G211 PolarHBondContact O-N 3.34Å; G211-R213 PolarHBondContact O-N 3.35Å
212L92.7Very high91.9Very high22 Ų2254.4 Ų54.412%0.11528%0.279CS..  trans-54.8131.6166.9-176.163.4000108.2L71 W74 C206 V209 R210 D216 F217L71-L212 HydrophobicContact CD2-CD2 3.82Å; W74-L212 VanDerWaalsContact CH2-O 3.22Å; W74-L212 WeakPolarHBondContact CH2-O 3.24Å; W74-L212 HydrophobicContact CZ3-CB 4.48Å; W74-L212 HydrophobicContact CZ3-CD2 4.11Å; W74-L212 HydrophobicContact CZ3-CG 4.14Å; C206-L212 VanDerWaalsContact SG-CD1 3.58Å; V209-L212 WeakPolarHBondContact O-CB 3.39Å; V209-L212 PolarHBondContact O-N 2.96Å; V209-L212 VanDerWaalsContact O-N 3.16Å; R210-L212 PolarHBondContact O-N 3.32Å; L212-D216 HydrophobicContact CD1-CB 3.59Å; L212-F217 HydrophobicContact CD2-CB 4.32Å
213R91.4Very high91.7Very high153 Ų15359.8 Ų59.858%0.57730%0.297SS*.  trans-97.6156.4177.5-55.4171.4-62.7172.16.2109.8G211 S215 D216 F217G211-R213 PolarHBondContact O-N 3.35Å; R213-S215 PolarHBondContact O-N 3.11Å; R213-S215 VanDerWaalsContact O-N 3.16Å; R213-D216 VanDerWaalsContact CB-OD2 3.31Å; R213-D216 WeakPolarHBondContact CB-OD2 3.39Å; R213-D216 IonicContact CZ-OD1 2.88Å; R213-D216 IonicContact CZ-OD2 3.02Å; R213-D216 PolarHBondContact N-OD2 2.88Å; R213-D216 IonicContact NE-OD1 3.85Å; R213-D216 IonicContact NE-OD2 3.22Å; R213-D216 PolarHBondContact NE-OD2 3.27Å; R213-D216 IonicContact NH2-OD1 3.85Å; R213-D216 PolarHBondContact NH2-OD1 3.09Å; R213-D216 IonicContact NH2-OD2 3.27Å; R213-D216 PolarHBondContact NH2-OD2 2.97Å; R213-D216 WeakPolarHBondContact O-CB 3.44Å; R213-D216 PolarHBondContact O-N 2.87Å; R213-F217 PolarHBondContact O-N 2.99Å
214L89.1Confident91.8Very high19 Ų1955 Ų5510%0.09928%0.276CS..Hα-helixtrans-52.7-38173.3-178.960.9000112.4F33 W37 W74 D216 R218F33-L214 HydrophobicContact CD1-CD2 3.91Å; F33-L214 HydrophobicContact CE1-CD1 4.49Å; F33-L214 HydrophobicContact CE1-CD2 3.82Å; W37-L214 HydrophobicContact CH2-CD1 4.26Å; W37-L214 HydrophobicContact CZ2-CD1 3.59Å; W37-L214 HydrophobicContact CZ2-CG 4.4Å; W74-L214 HydrophobicContact CB-CD1 4.26Å; W74-L214 HydrophobicContact CD2-CD1 3.89Å; W74-L214 HydrophobicContact CG-CD1 3.65Å; W74-L214 HydrophobicContact CZ2-CB 4.32Å; L214-D216 VanDerWaalsContact C-N 3.33Å; L214-D216 PolarHBondContact O-N 3.38Å; L214-R218 WeakPolarHBondContact O-CB 3.49Å; L214-R218 PolarHBondContact O-N 3.31Å
215S88.5Confident91.6Very high63 Ų6355 Ų5544%0.44128%0.278SS..Hα-helixtrans-62.3-38.9177.155.40000112.9R213 Q219R213-S215 PolarHBondContact O-N 3.11Å; R213-S215 VanDerWaalsContact O-N 3.16Å; S215-Q219 PolarHBondContact O-N 3.15Å
216D91.9Very high91.5Very high42 Ų4256.7 Ų56.723%0.22529%0.288CS..Hα-helixtrans-74.9-44.3-177.8-52.6-35.2000109.4L212 R213 L214 R218 Q219 I220L212-D216 HydrophobicContact CD1-CB 3.59Å; R213-D216 VanDerWaalsContact CB-OD2 3.31Å; R213-D216 WeakPolarHBondContact CB-OD2 3.39Å; R213-D216 IonicContact CZ-OD1 2.88Å; R213-D216 IonicContact CZ-OD2 3.02Å; R213-D216 PolarHBondContact N-OD2 2.88Å; R213-D216 IonicContact NE-OD1 3.85Å; R213-D216 IonicContact NE-OD2 3.22Å; R213-D216 PolarHBondContact NE-OD2 3.27Å; R213-D216 IonicContact NH2-OD1 3.85Å; R213-D216 PolarHBondContact NH2-OD1 3.09Å; R213-D216 IonicContact NH2-OD2 3.27Å; R213-D216 PolarHBondContact NH2-OD2 2.97Å; R213-D216 WeakPolarHBondContact O-CB 3.44Å; R213-D216 PolarHBondContact O-N 2.87Å; L214-D216 VanDerWaalsContact C-N 3.33Å; L214-D216 PolarHBondContact O-N 3.38Å; D216-R218 VanDerWaalsContact C-N 3.32Å; D216-R218 PolarHBondContact O-N 3.46Å; D216-Q219 WeakPolarHBondContact O-CB 3.43Å; D216-Q219 PolarHBondContact O-N 3.29Å; D216-Q219 VanDerWaalsContact O-N 3.14Å; D216-I220 WeakPolarHBondContact O-CG1 3.3Å; D216-I220 PolarHBondContact O-N 3.06Å; D216-I220 VanDerWaalsContact O-N 3.08Å
217F92.7Very high91.5Very high0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-56.8-45.9171175.6-107.2000111.7I54 F56 W74 I78 I182 L212 R213 Q219 I220 V221I54-F217 HydrophobicContact CD1-CE2 4.47Å; I54-F217 HydrophobicContact CD1-CZ 4.23Å; F56-F217 HydrophobicContact CE2-CE2 4.36Å; F56-F217 HydrophobicContact CZ-CD2 4.16Å; F56-F217 AromaticContact CZ-CE2 3.94Å; F56-F217 HydrophobicContact CZ-CE2 3.94Å; W74-F217 HydrophobicContact CB-CD1 3.77Å; W74-F217 HydrophobicContact CB-CE1 3.66Å; W74-F217 HydrophobicContact CB-CZ 4.39Å; W74-F217 HydrophobicContact CD2-CD1 4.47Å; W74-F217 HydrophobicContact CE3-CB 3.8Å; W74-F217 HydrophobicContact CE3-CD1 4.1Å; W74-F217 HydrophobicContact CE3-CD2 4.48Å; W74-F217 AromaticContact CE3-CG 3.87Å; W74-F217 HydrophobicContact CE3-CG 3.87Å; W74-F217 HydrophobicContact CG-CD1 4.4Å; W74-F217 HydrophobicContact CZ3-CB 4.11Å; I78-F217 HydrophobicContact CD1-CE1 3.99Å; I78-F217 HydrophobicContact CD1-CZ 3.99Å; I182-F217 HydrophobicContact CD1-CE2 4.3Å; L212-F217 HydrophobicContact CD2-CB 4.32Å; R213-F217 PolarHBondContact O-N 2.99Å; F217-Q219 VanDerWaalsContact C-N 3.31Å; F217-Q219 PolarHBondContact O-N 3.42Å; F217-I220 WeakPolarHBondContact O-CB 3.4Å; F217-I220 PolarHBondContact O-N 3.04Å; F217-I220 VanDerWaalsContact O-N 3.17Å; F217-V221 HydrophobicContact CD1-CG2 4.41Å; F217-V221 HydrophobicContact CD2-CG2 4.48Å; F217-V221 HydrophobicContact CE1-CG2 3.94Å; F217-V221 HydrophobicContact CE2-CG2 4.01Å; F217-V221 HydrophobicContact CZ-CG2 3.72Å; F217-V221 WeakPolarHBondContact O-CG2 3.43Å; F217-V221 PolarHBondContact O-N 3.46Å
218R88.5Confident91.5Very high75 Ų7562.8 Ų62.828%0.28331%0.307SS..Hα-helixtrans-58.9-42.3175.7175.3-170.9157.7179.9-4.4111.7W37 L40 L214 D216 I220 V221 C222W37-R218 HydrophobicContact CH2-CB 4.39Å; W37-R218 HydrophobicContact CZ3-CG 4.3Å; L40-R218 VanDerWaalsContact CD1-CD 3.48Å; L40-R218 HydrophobicContact CD1-CG 4.22Å; L214-R218 WeakPolarHBondContact O-CB 3.49Å; L214-R218 PolarHBondContact O-N 3.31Å; D216-R218 VanDerWaalsContact C-N 3.32Å; D216-R218 PolarHBondContact O-N 3.46Å; R218-I220 VanDerWaalsContact C-N 3.3Å; R218-I220 PolarHBondContact O-N 2.69Å; R218-V221 PolarHBondContact O-N 2.94Å; R218-C222 WeakPolarHBondContact O-CB 3.44Å; R218-C222 PolarHBondContact O-N 2.69Å; R218-C222 PolarHBondContact O-SG 3.25Å
219Q90.8Very high91.3Very high140 Ų14064.2 Ų64.265%0.65431%0.311SS*.Hα-helixtrans-61.8-39.7177.6-171.3179.131.400111.8S215 D216 F217 C222 R223S215-Q219 PolarHBondContact O-N 3.15Å; D216-Q219 WeakPolarHBondContact O-CB 3.43Å; D216-Q219 PolarHBondContact O-N 3.29Å; D216-Q219 VanDerWaalsContact O-N 3.14Å; F217-Q219 VanDerWaalsContact C-N 3.31Å; F217-Q219 PolarHBondContact O-N 3.42Å; Q219-C222 PolarHBondContact O-N 3.31Å; Q219-R223 WeakPolarHBondContact O-CB 3.42Å; Q219-R223 PolarHBondContact O-N 2.95Å
220I93.9Very high91.1Very high16 Ų1672.5 Ų72.58%0.08234%0.342CS..Hα-helixtrans-60.3-48.9174.5-68.1165.7000110.6L180 I182 I204 C206 D216 F217 R218 R223 F224L180-I220 HydrophobicContact CD2-CG2 4.35Å; I182-I220 HydrophobicContact CD1-CG2 3.66Å; I182-I220 HydrophobicContact CG1-CG2 3.94Å; I182-I220 HydrophobicContact CG2-CD1 4.43Å; I204-I220 HydrophobicContact CB-CG2 4.16Å; I204-I220 HydrophobicContact CD1-CG2 4.14Å; I204-I220 WeakPolarHBondContact CD1-O 3.33Å; I204-I220 HydrophobicContact CG2-CB 4.49Å; I204-I220 HydrophobicContact CG2-CG1 4.24Å; I204-I220 HydrophobicContact CG2-CG2 3.87Å; C206-I220 HydrophobicContact CB-CD1 3.9Å; D216-I220 WeakPolarHBondContact O-CG1 3.3Å; D216-I220 PolarHBondContact O-N 3.06Å; D216-I220 VanDerWaalsContact O-N 3.08Å; F217-I220 WeakPolarHBondContact O-CB 3.4Å; F217-I220 PolarHBondContact O-N 3.04Å; F217-I220 VanDerWaalsContact O-N 3.17Å; R218-I220 VanDerWaalsContact C-N 3.3Å; R218-I220 PolarHBondContact O-N 2.69Å; I220-R223 WeakPolarHBondContact O-CB 3.43Å; I220-R223 PolarHBondContact O-N 2.88Å; I220-F224 PolarHBondContact O-N 2.73Å
221V92.4Very high90.8Very high2 Ų274.1 Ų74.11%0.01235%0.348CS..Hα-helixtrans-66.2-39.4179.6-179.90000111.6L47 I78 F217 R218 R223 F224 G225L47-V221 HydrophobicContact CD1-CG1 3.9Å; L47-V221 HydrophobicContact CD2-CG1 4.03Å; I78-V221 HydrophobicContact CD1-CG1 3.95Å; I78-V221 HydrophobicContact CD1-CG2 3.92Å; F217-V221 HydrophobicContact CD1-CG2 4.41Å; F217-V221 HydrophobicContact CD2-CG2 4.48Å; F217-V221 HydrophobicContact CE1-CG2 3.94Å; F217-V221 HydrophobicContact CE2-CG2 4.01Å; F217-V221 HydrophobicContact CZ-CG2 3.72Å; F217-V221 WeakPolarHBondContact O-CG2 3.43Å; F217-V221 PolarHBondContact O-N 3.46Å; R218-V221 PolarHBondContact O-N 2.94Å; V221-R223 VanDerWaalsContact C-N 3.33Å; V221-R223 PolarHBondContact O-N 3.36Å; V221-F224 WeakPolarHBondContact O-CB 3.26Å; V221-F224 PolarHBondContact O-N 3.41Å; V221-G225 PolarHBondContact O-N 3.39Å
222C90.6Very high90.8Very high35 Ų3575.7 Ų75.724%0.23637%0.365CS..Hα-helixtrans-59.5-44172.3-740000111.4L47 R218 Q219 G225 M226L47-C222 HydrophobicContact CD2-CB 4.41Å; L47-C222 WeakPolarHBondContact CD2-SG 3.49Å; R218-C222 WeakPolarHBondContact O-CB 3.44Å; R218-C222 PolarHBondContact O-N 2.69Å; R218-C222 PolarHBondContact O-SG 3.25Å; Q219-C222 PolarHBondContact O-N 3.31Å; C222-G225 PolarHBondContact O-N 2.9Å; C222-G225 VanDerWaalsContact O-N 3.13Å; C222-M226 WeakPolarHBondContact O-CG 3.45Å; C222-M226 PolarHBondContact O-N 3.08Å
223R92.9Very high90.2Very high162 Ų16286.2 Ų86.261%0.61140%0.403SS*.Hα-helixtrans-60.9-46.4177.6179.1178.5177179-0.4111.1I204 Q219 I220 V221 G225 M226I204-R223 HydrophobicContact CD1-CB 4.14Å; I204-R223 HydrophobicContact CD1-CG 4.03Å; Q219-R223 WeakPolarHBondContact O-CB 3.42Å; Q219-R223 PolarHBondContact O-N 2.95Å; I220-R223 WeakPolarHBondContact O-CB 3.43Å; I220-R223 PolarHBondContact O-N 2.88Å; V221-R223 VanDerWaalsContact C-N 3.33Å; V221-R223 PolarHBondContact O-N 3.36Å; R223-G225 VanDerWaalsContact C-N 3.26Å; R223-G225 PolarHBondContact O-N 3.46Å; R223-M226 PolarHBondContact O-N 3Å
224F94.4Very high90.2Very high1 Ų182.9 Ų82.90%0.00439%0.394CS..Hα-helixtrans-54.8-45.6172.2164.9-99.2000111.4K49 P51 D179 L180 E202 I204 I220 V221 M226 V227K49-F224 HydrophobicContact CB-CE1 4.28Å; K49-F224 HydrophobicContact CD-CE1 3.78Å; K49-F224 HydrophobicContact CD-CZ 3.72Å; K49-F224 HydrophobicContact CG-CE1 3.82Å; K49-F224 HydrophobicContact CG-CZ 4.22Å; P51-F224 HydrophobicContact CB-CD1 4.23Å; P51-F224 HydrophobicContact CB-CE1 3.66Å; P51-F224 HydrophobicContact CB-CZ 3.83Å; P51-F224 HydrophobicContact CG-CD1 4.11Å; P51-F224 HydrophobicContact CG-CE1 3.97Å; D179-F224 HydrophobicContact CB-CE2 4.15Å; D179-F224 HydrophobicContact CB-CZ 3.89Å; D179-F224 WeakPolarHBondContact O-CE2 3.45Å; L180-F224 HydrophobicContact CB-CD2 3.91Å; L180-F224 HydrophobicContact CB-CE2 4.15Å; L180-F224 HydrophobicContact CB-CG 4.32Å; L180-F224 HydrophobicContact CD1-CB 4.2Å; L180-F224 HydrophobicContact CD1-CD2 4.16Å; L180-F224 HydrophobicContact CD1-CG 4.45Å; L180-F224 HydrophobicContact CD2-CB 3.91Å; L180-F224 HydrophobicContact CD2-CD2 4.45Å; L180-F224 HydrophobicContact CD2-CG 4.11Å; L180-F224 HydrophobicContact CG-CD2 4.39Å; E202-F224 HydrophobicContact CB-CD2 3.88Å; E202-F224 HydrophobicContact CB-CE2 4.26Å; E202-F224 HydrophobicContact CG-CD2 3.85Å; E202-F224 HydrophobicContact CG-CE2 3.94Å; I204-F224 HydrophobicContact CD1-CB 4Å; I220-F224 PolarHBondContact O-N 2.73Å; V221-F224 WeakPolarHBondContact O-CB 3.26Å; V221-F224 PolarHBondContact O-N 3.41Å; F224-M226 PolarHBondContact O-N 3.37Å; F224-M226 VanDerWaalsContact O-N 3.13Å; F224-V227 WeakPolarHBondContact O-CB 3.4Å; F224-V227 PolarHBondContact O-N 2.92Å
225G90.6Very high90.2Very high9 Ų986.3 Ų86.39%0.09341%0.41CS..Hα-helixtrans-60.3-26.4-178.800000114.3P48 V221 C222 R223 V227P48-G225 VanDerWaalsContact CG-C 3.41Å; P48-G225 VanDerWaalsContact CG-O 3.25Å; P48-G225 WeakPolarHBondContact CG-O 3.25Å; V221-G225 PolarHBondContact O-N 3.39Å; C222-G225 PolarHBondContact O-N 2.9Å; C222-G225 VanDerWaalsContact O-N 3.13Å; R223-G225 VanDerWaalsContact C-N 3.26Å; R223-G225 PolarHBondContact O-N 3.46Å; G225-V227 VanDerWaalsContact C-N 3.34Å
226M90.2Very high90.3Very high144 Ų14487.6 Ų87.671%0.70941%0.408SS*.THydrogen-bonded Turntrans-83.5-9.9178.1-64.3-61.6-67.100113.3P48 C222 R223 F224P48-M226 HydrophobicContact CG-SD 4.03Å; C222-M226 WeakPolarHBondContact O-CG 3.45Å; C222-M226 PolarHBondContact O-N 3.08Å; R223-M226 PolarHBondContact O-N 3Å; F224-M226 PolarHBondContact O-N 3.37Å; F224-M226 VanDerWaalsContact O-N 3.13Å
227V92.5Very high90.2Very high49 Ų4990.2 Ų90.230%0.29742%0.419SS..  trans-74.2131.4-179.2-176.80000110.8E202 F224 G225E202-V227 VanDerWaalsContact CD-CG1 3.44Å; E202-V227 HydrophobicContact CG-CB 4.33Å; E202-V227 HydrophobicContact CG-CG1 4.11Å; E202-V227 HydrophobicContact CG-CG2 4.45Å; E202-V227 WeakPolarHBondContact OE1-CG1 3.4Å; F224-V227 WeakPolarHBondContact O-CB 3.4Å; F224-V227 PolarHBondContact O-N 2.92Å; G225-V227 VanDerWaalsContact C-N 3.34Å
228K91.4Very high90.1Very high188 Ų18895.9 Ų95.982%0.81745%0.445SS*.  trans-102.9108.1174.3-64.4-175.3-178.9-178.60109.7R230K228-R230 PolarHBondContact O-N 3.47Å
229Q88.9Confident90.2Very high54 Ų5497.3 Ų97.325%0.25246%0.456SS..  trans-74.4119.9173.5-70.2170.8-4800109.8F200 W231F200-Q229 PolarHBondContact O-NE2 3.06Å; F200-Q229 VanDerWaalsContact O-NE2 3.16Å; Q229-W231 HydrophobicContact CB-CD2 4.31Å; Q229-W231 HydrophobicContact CB-CH2 4.23Å; Q229-W231 HydrophobicContact CB-CZ2 3.73Å; Q229-W231 HydrophobicContact CG-CH2 4.29Å; Q229-W231 HydrophobicContact CG-CZ2 4.14Å
230R90.1Very high90.1Very high176 Ų17694.2 Ų94.266%0.66444%0.441SS*.  trans-98.5-14.5-172.6-77.3-168.272.6162.11114.3K228 G232 R233K228-R230 PolarHBondContact O-N 3.47Å; R230-G232 PolarHBondContact O-N 2.85Å; R230-R233 VanDerWaalsContact CB-OXT 3.3Å; R230-R233 WeakPolarHBondContact CB-OXT 3.48Å; R230-R233 PolarHBondContact NE-OXT 2.91Å; R230-R233 PolarHBondContact NH2-O 3.43Å; R230-R233 PolarHBondContact NH2-OXT 3.21Å; R230-R233 VanDerWaalsContact NH2-OXT 3.16Å; R230-R233 PolarHBondContact O-N 3.41Å
231W85.5Confident89.8Confident152 Ų152100.2 Ų100.258%0.57647%0.469SS*.THydrogen-bonded Turntrans48.233.5175.2-49.9120.7000114.4F200 Q229F200-W231 HydrophobicContact CB-CH2 3.58Å; F200-W231 HydrophobicContact CB-CZ3 3.55Å; F200-W231 HydrophobicContact CD1-CE3 4.1Å; F200-W231 HydrophobicContact CD1-CH2 4.24Å; F200-W231 AromaticContact CD1-CZ3 3.34Å; F200-W231 HydrophobicContact CD1-CZ3 3.34Å; F200-W231 HydrophobicContact CD2-CE3 4.45Å; F200-W231 AromaticContact CD2-CH2 3.78Å; F200-W231 HydrophobicContact CD2-CH2 3.78Å; F200-W231 AromaticContact CD2-CZ3 3.5Å; F200-W231 HydrophobicContact CD2-CZ3 3.5Å; F200-W231 HydrophobicContact CE1-CE3 4.06Å; F200-W231 AromaticContact CE1-CZ3 3.73Å; F200-W231 HydrophobicContact CE1-CZ3 3.73Å; F200-W231 HydrophobicContact CE2-CE3 4.44Å; F200-W231 HydrophobicContact CE2-CH2 4.45Å; F200-W231 AromaticContact CE2-CZ3 3.9Å; F200-W231 HydrophobicContact CE2-CZ3 3.9Å; F200-W231 HydrophobicContact CG-CE3 4.28Å; F200-W231 AromaticContact CG-CH2 3.65Å; F200-W231 HydrophobicContact CG-CH2 3.65Å; F200-W231 AromaticContact CG-CZ3 3.19Å; F200-W231 HydrophobicContact CG-CZ3 3.19Å; F200-W231 HydrophobicContact CZ-CE3 4.24Å; F200-W231 AromaticContact CZ-CZ3 4Å; F200-W231 HydrophobicContact CZ-CZ3 4Å; Q229-W231 HydrophobicContact CB-CD2 4.31Å; Q229-W231 HydrophobicContact CB-CH2 4.23Å; Q229-W231 HydrophobicContact CB-CZ2 3.73Å; Q229-W231 HydrophobicContact CG-CH2 4.29Å; Q229-W231 HydrophobicContact CG-CZ2 4.14Å
232G87.3Confident89.6Confident88 Ų88108.4 Ų108.491%0.90751%0.507SS*.THydrogen-bonded Turntrans79.39.7-17700000116.4R230R230-G232 PolarHBondContact O-N 2.85Å
233R81.1Confident89.5Confident243 Ų243115.1 Ų115.192%0.91753%0.532SS*.  trans-108.20173.8-58.2-176.6-176.7178.71111.5R230R230-R233 VanDerWaalsContact CB-OXT 3.3Å; R230-R233 WeakPolarHBondContact CB-OXT 3.48Å; R230-R233 PolarHBondContact NE-OXT 2.91Å; R230-R233 PolarHBondContact NH2-O 3.43Å; R230-R233 PolarHBondContact NH2-OXT 3.21Å; R230-R233 VanDerWaalsContact NH2-OXT 3.16Å; R230-R233 PolarHBondContact O-N 3.41Å

Retrieved 233 of 233 residues in 199.8 ms (Link to these results)

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