A0A3Q0KQW0_SCHMA Loading...

Putative nachr subunit

AlphaFold DB , UniProt , Accession A0A3Q0KQW0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 915 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M53.7Low76.7Confident200 Ų200117.6 Ų117.699%0.98560%0.603SS**  0-97.70-60.2-40.6-132.300112.2N3 V4 F5M1-N3 PolarHBondContact O-N 3.3Å; M1-N3 VanDerWaalsContact O-N 3.16Å; M1-V4 WeakPolarHBondContact O-CA 3.46Å; M1-V4 WeakPolarHBondContact O-CB 3.5Å; M1-V4 PolarHBondContact O-N 3.34Å; M1-F5 PolarHBondContact O-N 3.28Å; M1-F5 VanDerWaalsContact O-N 3.07Å
2R62.4Low77.4Confident214 Ų214119.5 Ų119.581%0.80860%0.598SS**Hα-helixtrans-47.3-51.5-165.8-166.1171.2175.8-178.9-3.3115.2V4 F5 C6R2-V4 VanDerWaalsContact C-N 3.35Å; R2-V4 PolarHBondContact O-N 2.99Å; R2-F5 WeakPolarHBondContact O-CB 3.37Å; R2-F5 PolarHBondContact O-N 3.41Å; R2-C6 PolarHBondContact O-N 3.1Å; R2-C6 VanDerWaalsContact O-N 3.12Å
3N71.2Confident78Confident127 Ų127116.6 Ų116.668%0.67959%0.591SS**Hα-helixtrans-65.6-34.4179.3-60.420.2000113.4M1 F5 C6 I7M1-N3 PolarHBondContact O-N 3.3Å; M1-N3 VanDerWaalsContact O-N 3.16Å; N3-F5 VanDerWaalsContact C-N 3.31Å; N3-C6 PolarHBondContact O-N 2.99Å; N3-I7 WeakPolarHBondContact O-CG1 3.44Å; N3-I7 PolarHBondContact O-N 3.06Å
4V80Confident78.4Confident83 Ų83113.4 Ų113.450%0.50358%0.583SS.*Hα-helixtrans-66.1-38175.6-176.40000110.2M1 R2 I7 L8M1-V4 WeakPolarHBondContact O-CA 3.46Å; M1-V4 WeakPolarHBondContact O-CB 3.5Å; M1-V4 PolarHBondContact O-N 3.34Å; R2-V4 VanDerWaalsContact C-N 3.35Å; R2-V4 PolarHBondContact O-N 2.99Å; V4-I7 PolarHBondContact O-N 3.23Å; V4-L8 HydrophobicContact CG1-CD1 4.05Å; V4-L8 HydrophobicContact CG1-CG 4.42Å; V4-L8 WeakPolarHBondContact O-CB 3.41Å; V4-L8 WeakPolarHBondContact O-CG 3.43Å; V4-L8 PolarHBondContact O-N 3.49Å
5F77.2Confident78.8Confident150 Ų150112.7 Ų112.766%0.65858%0.58SS**Hα-helixtrans-64.1-42.1175.2-134.3-82.1000111.6M1 R2 N3 L8 C9M1-F5 PolarHBondContact O-N 3.28Å; M1-F5 VanDerWaalsContact O-N 3.07Å; R2-F5 WeakPolarHBondContact O-CB 3.37Å; R2-F5 PolarHBondContact O-N 3.41Å; N3-F5 VanDerWaalsContact C-N 3.31Å; F5-L8 PolarHBondContact O-N 2.82Å; F5-C9 WeakPolarHBondContact O-CB 3.42Å; F5-C9 PolarHBondContact O-N 3.36Å; F5-C9 PolarHBondContact O-SG 3.06Å; F5-C9 VanDerWaalsContact O-SG 3.38Å
6C78.6Confident78.8Confident78 Ų78111.9 Ų111.953%0.52757%0.573SS.*Hα-helixtrans-60.7-46.3172.9-670000112.2R2 N3 L8 C9 T10R2-C6 PolarHBondContact O-N 3.1Å; R2-C6 VanDerWaalsContact O-N 3.12Å; N3-C6 PolarHBondContact O-N 2.99Å; C6-L8 PolarHBondContact O-N 3.48Å; C6-C9 PolarHBondContact O-N 3.32Å; C6-T10 PolarHBondContact O-N 2.94Å; C6-T10 PolarHBondContact O-OG1 3.36Å
7I84.6Confident78.8Confident98 Ų98111.2 Ų111.250%0.50357%0.57SS.*Hα-helixtrans-61.4-45.2179.2-68.7164.1000111N3 V4 T10 I11N3-I7 WeakPolarHBondContact O-CG1 3.44Å; N3-I7 PolarHBondContact O-N 3.06Å; V4-I7 PolarHBondContact O-N 3.23Å; I7-T10 WeakPolarHBondContact CA-OG1 3.31Å; I7-T10 PolarHBondContact O-N 3.15Å; I7-T10 PolarHBondContact O-OG1 3.06Å; I7-I11 HydrophobicContact CG2-CD1 3.79Å; I7-I11 WeakPolarHBondContact O-CG1 3.41Å; I7-I11 PolarHBondContact O-N 3.06Å
8L83.8Confident78.8Confident103 Ų103113.6 Ų113.654%0.53958%0.575SS.*Hα-helixtrans-64.1-41176.6-70.7171.6000112.2V4 F5 C6 I11 Y12V4-L8 HydrophobicContact CG1-CD1 4.05Å; V4-L8 HydrophobicContact CG1-CG 4.42Å; V4-L8 WeakPolarHBondContact O-CB 3.41Å; V4-L8 WeakPolarHBondContact O-CG 3.43Å; V4-L8 PolarHBondContact O-N 3.49Å; F5-L8 PolarHBondContact O-N 2.82Å; C6-L8 PolarHBondContact O-N 3.48Å; L8-I11 PolarHBondContact O-N 3.46Å; L8-Y12 WeakPolarHBondContact O-CB 3.29Å; L8-Y12 PolarHBondContact O-N 3.37Å
9C82.7Confident78.5Confident66 Ų66111.6 Ų111.645%0.44657%0.569SS.*Hα-helixtrans-63-41.5173.1-74.10000112.3F5 C6 Y12 V13F5-C9 WeakPolarHBondContact O-CB 3.42Å; F5-C9 PolarHBondContact O-N 3.36Å; F5-C9 PolarHBondContact O-SG 3.06Å; F5-C9 VanDerWaalsContact O-SG 3.38Å; C6-C9 PolarHBondContact O-N 3.32Å; C9-Y12 PolarHBondContact O-N 3.4Å; C9-V13 WeakPolarHBondContact O-CB 3.41Å; C9-V13 WeakPolarHBondContact O-CG2 3.3Å; C9-V13 PolarHBondContact O-N 3.49Å
10T83.1Confident78Confident86 Ų86110 Ų11053%0.52857%0.569SS.*Hα-helixtrans-65.4-39.5175.8460000112.3C6 I7 C14C6-T10 PolarHBondContact O-N 2.94Å; C6-T10 PolarHBondContact O-OG1 3.36Å; I7-T10 WeakPolarHBondContact CA-OG1 3.31Å; I7-T10 PolarHBondContact O-N 3.15Å; I7-T10 PolarHBondContact O-OG1 3.06Å; T10-C14 WeakPolarHBondContact O-CB 3.45Å; T10-C14 PolarHBondContact O-N 3.44Å; T10-C14 PolarHBondContact O-SG 3.18Å
11I86.2Confident77.5Confident89 Ų89107.9 Ų107.946%0.45656%0.564SS.*Hα-helixtrans-65.3-42.2175.9-69.8167.1000110.7I7 L8 C14 L15I7-I11 HydrophobicContact CG2-CD1 3.79Å; I7-I11 WeakPolarHBondContact O-CG1 3.41Å; I7-I11 PolarHBondContact O-N 3.06Å; L8-I11 PolarHBondContact O-N 3.46Å; I11-C14 PolarHBondContact O-N 3.04Å; I11-L15 HydrophobicContact CG2-CD1 4.04Å; I11-L15 WeakPolarHBondContact O-CB 3.44Å; I11-L15 PolarHBondContact O-N 3.5Å
12Y85.2Confident78.1Confident140 Ų140106.3 Ų106.355%0.54955%0.548SS..Hα-helixtrans-63.8-46.3177.4-172.4-85.1000112.2L8 C9 L15 E16L8-Y12 WeakPolarHBondContact O-CB 3.29Å; L8-Y12 PolarHBondContact O-N 3.37Å; C9-Y12 PolarHBondContact O-N 3.4Å; Y12-L15 WeakPolarHBondContact O-CB 3.46Å; Y12-L15 PolarHBondContact O-N 3.04Å; Y12-L15 VanDerWaalsContact O-N 3.16Å; Y12-E16 HydrophobicContact CD1-CG 4.45Å; Y12-E16 HydrophobicContact CE1-CG 3.81Å; Y12-E16 WeakPolarHBondContact CE1-OE1 3.32Å; Y12-E16 PolarHBondContact O-N 3.07Å; Y12-E16 PolarHBondContact OH-OE1 2.96Å
13V85.7Confident78Confident82 Ų82101.5 Ų101.550%0.49754%0.537SS..Hα-helixtrans-65-40.2176.9171.10000111.4C9 L15 E16 I17C9-V13 WeakPolarHBondContact O-CB 3.41Å; C9-V13 WeakPolarHBondContact O-CG2 3.3Å; C9-V13 PolarHBondContact O-N 3.49Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.47Å; V13-E16 PolarHBondContact O-N 2.92Å; V13-I17 HydrophobicContact CG1-CD1 3.84Å; V13-I17 WeakPolarHBondContact O-CB 3.49Å; V13-I17 VanDerWaalsContact O-CG1 3.25Å; V13-I17 WeakPolarHBondContact O-CG1 3.25Å; V13-I17 PolarHBondContact O-N 3.02Å
14C83.6Confident77.3Confident72 Ų72102.6 Ų102.649%0.48654%0.538SS..Hα-helixtrans-63-37.9172.3-73.70000112.1T10 I11 F18T10-C14 WeakPolarHBondContact O-CB 3.45Å; T10-C14 PolarHBondContact O-N 3.44Å; T10-C14 PolarHBondContact O-SG 3.18Å; I11-C14 PolarHBondContact O-N 3.04Å; C14-F18 WeakPolarHBondContact O-CB 3.33Å; C14-F18 WeakPolarHBondContact O-CD2 3.44Å; C14-F18 PolarHBondContact O-N 3.24Å
15L83.5Confident76.1Confident102 Ų102102.4 Ų102.453%0.53454%0.539SS..Hα-helixtrans-65.5-46.5175.6-89.4163.1000112.3I11 Y12 V13 I17 F18 T19I11-L15 HydrophobicContact CG2-CD1 4.04Å; I11-L15 WeakPolarHBondContact O-CB 3.44Å; I11-L15 PolarHBondContact O-N 3.5Å; Y12-L15 WeakPolarHBondContact O-CB 3.46Å; Y12-L15 PolarHBondContact O-N 3.04Å; Y12-L15 VanDerWaalsContact O-N 3.16Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.47Å; L15-I17 VanDerWaalsContact C-N 3.34Å; L15-I17 PolarHBondContact O-N 2.83Å; L15-F18 PolarHBondContact O-N 2.98Å; L15-T19 PolarHBondContact O-N 3.33Å; L15-T19 PolarHBondContact O-OG1 3.28Å
16E79.2Confident75Confident101 Ų101101 Ų10147%0.47254%0.537SS..Hα-helixtrans-64.9-36.8176.6-80.4-167.7175.600112.6Y12 V13 T19 S20Y12-E16 HydrophobicContact CD1-CG 4.45Å; Y12-E16 HydrophobicContact CE1-CG 3.81Å; Y12-E16 WeakPolarHBondContact CE1-OE1 3.32Å; Y12-E16 PolarHBondContact O-N 3.07Å; Y12-E16 PolarHBondContact OH-OE1 2.96Å; V13-E16 PolarHBondContact O-N 2.92Å; E16-T19 WeakPolarHBondContact CA-OG1 3.39Å; E16-T19 PolarHBondContact O-OG1 2.78Å; E16-S20 WeakPolarHBondContact O-CB 3.36Å; E16-S20 PolarHBondContact O-N 3.27Å
17I79.3Confident73.7Confident100 Ų100105.5 Ų105.551%0.51355%0.551SS.*Hα-helixtrans-62.6-47.2171.9-69167.2000110V13 L15 S20 S21V13-I17 HydrophobicContact CG1-CD1 3.84Å; V13-I17 WeakPolarHBondContact O-CB 3.49Å; V13-I17 VanDerWaalsContact O-CG1 3.25Å; V13-I17 WeakPolarHBondContact O-CG1 3.25Å; V13-I17 PolarHBondContact O-N 3.02Å; L15-I17 VanDerWaalsContact C-N 3.34Å; L15-I17 PolarHBondContact O-N 2.83Å; I17-S20 PolarHBondContact O-N 3.29Å; I17-S21 WeakPolarHBondContact O-CB 3.42Å; I17-S21 PolarHBondContact O-N 3.47Å; I17-S21 PolarHBondContact O-OG 3.08Å
18F77.8Confident72.1Confident154 Ų154104.5 Ų104.568%0.67555%0.552SS**Hα-helixtrans-62.9-43.9177.6-100-82.6000112.5C14 L15 S21 Y22C14-F18 WeakPolarHBondContact O-CB 3.33Å; C14-F18 WeakPolarHBondContact O-CD2 3.44Å; C14-F18 PolarHBondContact O-N 3.24Å; L15-F18 PolarHBondContact O-N 2.98Å; F18-S21 PolarHBondContact O-N 2.88Å; F18-Y22 VanDerWaalsContact O-CB 3.27Å; F18-Y22 WeakPolarHBondContact O-CB 3.46Å; F18-Y22 PolarHBondContact O-N 3.47Å
19T74.4Confident70.3Confident75 Ų75106.4 Ų106.446%0.4656%0.563SS.*Hα-helixtrans-67.3-38177.553.30000112L15 E16 Y22 I23L15-T19 PolarHBondContact O-N 3.33Å; L15-T19 PolarHBondContact O-OG1 3.28Å; E16-T19 WeakPolarHBondContact CA-OG1 3.39Å; E16-T19 PolarHBondContact O-OG1 2.78Å; T19-Y22 PolarHBondContact O-N 3.48Å; T19-I23 WeakPolarHBondContact O-CB 3.34Å; T19-I23 WeakPolarHBondContact O-CD1 3.34Å; T19-I23 WeakPolarHBondContact O-CG1 3.28Å; T19-I23 PolarHBondContact O-N 3.25Å
20S68.4Low68.5Low79 Ų79109.7 Ų109.755%0.55258%0.581SS**Hα-helixtrans-64.9-45.6176.5-168.60000111.2E16 I17 H24E16-S20 WeakPolarHBondContact O-CB 3.36Å; E16-S20 PolarHBondContact O-N 3.27Å; I17-S20 PolarHBondContact O-N 3.29Å; S20-H24 VanDerWaalsContact O-CB 3.32Å; S20-H24 WeakPolarHBondContact O-CB 3.32Å; S20-H24 PolarHBondContact O-N 3.2Å
21S67.6Low66.6Low67 Ų67114.1 Ų114.147%0.46960%0.601SS.*Hα-helixtrans-64.7-38.8173.1-66.90000113.1I17 F18 H24 C25I17-S21 WeakPolarHBondContact O-CB 3.42Å; I17-S21 PolarHBondContact O-N 3.47Å; I17-S21 PolarHBondContact O-OG 3.08Å; F18-S21 PolarHBondContact O-N 2.88Å; S21-H24 PolarHBondContact O-N 3.45Å; S21-C25 WeakPolarHBondContact O-CB 3.48Å; S21-C25 PolarHBondContact O-N 2.98Å; S21-C25 PolarHBondContact O-SG 3.19Å; S21-C25 VanDerWaalsContact O-SG 3.33Å
22Y66.5Low64.6Low166 Ų166112.8 Ų112.865%0.65161%0.61SS**Hα-helixtrans-70.3-38.6-179.7-147.2-97.1000112F18 T19 C25 I26F18-Y22 VanDerWaalsContact O-CB 3.27Å; F18-Y22 WeakPolarHBondContact O-CB 3.46Å; F18-Y22 PolarHBondContact O-N 3.47Å; T19-Y22 PolarHBondContact O-N 3.48Å; Y22-C25 PolarHBondContact O-N 3.06Å; Y22-I26 HydrophobicContact CD1-CD1 3.64Å; Y22-I26 HydrophobicContact CD1-CG1 4.32Å; Y22-I26 HydrophobicContact CE1-CD1 3.83Å; Y22-I26 HydrophobicContact CE1-CG1 4.44Å; Y22-I26 WeakPolarHBondContact O-CG1 3.36Å; Y22-I26 PolarHBondContact O-N 2.87Å; Y22-I26 VanDerWaalsContact O-N 3.07Å
23I60.5Low62.4Low114 Ų114113.2 Ų113.259%0.58562%0.622SS**Hα-helixtrans-63.6-45171.9-69167.3000109.9T19 C25 I26 E27T19-I23 WeakPolarHBondContact O-CB 3.34Å; T19-I23 WeakPolarHBondContact O-CD1 3.34Å; T19-I23 WeakPolarHBondContact O-CG1 3.28Å; T19-I23 PolarHBondContact O-N 3.25Å; I23-C25 PolarHBondContact O-N 3.48Å; I23-I26 PolarHBondContact O-N 3.41Å; I23-E27 PolarHBondContact O-N 2.88Å
24H56Low60.4Low150 Ų150116.7 Ų116.769%0.69464%0.638SS**Hα-helixtrans-71.2-14.5180-153.5-41.4000114S20 S21S20-H24 VanDerWaalsContact O-CB 3.32Å; S20-H24 WeakPolarHBondContact O-CB 3.32Å; S20-H24 PolarHBondContact O-N 3.2Å; S21-H24 PolarHBondContact O-N 3.45Å
25C54.7Low58.8Low78 Ų78121.5 Ų121.553%0.52766%0.658SS.*Hα-helixtrans-93.4-23.1170.7-71.70000113.8S21 Y22 I23 E27 S28S21-C25 WeakPolarHBondContact O-CB 3.48Å; S21-C25 PolarHBondContact O-N 2.98Å; S21-C25 PolarHBondContact O-SG 3.19Å; S21-C25 VanDerWaalsContact O-SG 3.33Å; Y22-C25 PolarHBondContact O-N 3.06Å; I23-C25 PolarHBondContact O-N 3.48Å; C25-E27 VanDerWaalsContact C-N 3.3Å; C25-S28 PolarHBondContact O-OG 3.33Å; C25-S28 VanDerWaalsContact O-OG 3.07Å
26I54Low57.4Low120 Ų120124.9 Ų124.962%0.61567%0.672SS**Hα-helixtrans-72.1-26.7175.7-76.4169.5000111.6Y22 I23 S28Y22-I26 HydrophobicContact CD1-CD1 3.64Å; Y22-I26 HydrophobicContact CD1-CG1 4.32Å; Y22-I26 HydrophobicContact CE1-CD1 3.83Å; Y22-I26 HydrophobicContact CE1-CG1 4.44Å; Y22-I26 WeakPolarHBondContact O-CG1 3.36Å; Y22-I26 PolarHBondContact O-N 2.87Å; Y22-I26 VanDerWaalsContact O-N 3.07Å; I23-I26 PolarHBondContact O-N 3.41Å; I26-S28 VanDerWaalsContact C-N 3.3Å; I26-S28 PolarHBondContact O-N 2.92Å
27E50Low56Low174 Ų174125.8 Ų125.881%0.81369%0.686SS**THydrogen-bonded Turntrans-9121.5-178.7-152.6162.7-151.100113.4I23 C25I23-E27 PolarHBondContact O-N 2.88Å; C25-E27 VanDerWaalsContact C-N 3.3Å
28S51.6Low54.5Low76 Ų76124.6 Ų124.653%0.53169%0.687SS.*THydrogen-bonded Turntrans-132.3-4.2-178.256.80000117.1C25 I26C25-S28 PolarHBondContact O-OG 3.33Å; C25-S28 VanDerWaalsContact O-OG 3.07Å; I26-S28 VanDerWaalsContact C-N 3.3Å; I26-S28 PolarHBondContact O-N 2.92Å
29D47.1Very low53.6Low144 Ų144123.6 Ų123.677%0.7769%0.693SS**  trans-117.451.2-175.8-81.8-40.5000113.2
30T44.6Very low52.9Low135 Ų135129.8 Ų129.883%0.82871%0.709SS**  trans-138.752.2167.2630000113.1
31D43Very low53.1Low178 Ų178132.3 Ų132.395%0.95272%0.722SS**  trans-84.8113.5161.6-105.7-20.2000109
32G42.9Very low53.7Low62 Ų62132.6 Ų132.664%0.63972%0.718SS**  trans158.6105.5173.300000116.5
33N40.6Very low54.9Low149 Ų149127.9 Ų127.980%0.79771%0.709SS**  trans74.1104.8159.5-45.1-28000118.1
34D43.3Very low56.4Low154 Ų154124.3 Ų124.382%0.82469%0.691SS**  46.1103.2124.7-48.6-21.7000120
35D50.8Low58.2Low173 Ų173121.2 Ų121.293%0.92568%0.677SS**  trans-157.6163144.7-116.8-30000112
36E53.3Low60Low173 Ų173123.8 Ų123.881%0.80868%0.679SS**  trans-67.3152.8-167.1-75.5-168.1110.900116.3S38E36-S38 VanDerWaalsContact C-N 3.33Å; E36-S38 PolarHBondContact O-N 3.33Å
37P48.8Very low61.8Low120 Ų120123.2 Ų123.278%0.77967%0.669SS**  trans-71.583.717331.8-36.1000111.6V39P37-V39 PolarHBondContact O-N 2.97Å
38S48.7Very low64Low76 Ų76115 Ų11553%0.53163%0.63SS.*  trans-52121.2175.155.30000111.9E36 Y40E36-S38 VanDerWaalsContact C-N 3.33Å; E36-S38 PolarHBondContact O-N 3.33Å; S38-Y40 VanDerWaalsContact O-CD2 3.23Å; S38-Y40 WeakPolarHBondContact O-CD2 3.44Å; S38-Y40 PolarHBondContact O-N 3.4Å
39V58.5Low66.1Low132 Ų132112.9 Ų112.980%0.861%0.613SS**  trans-75.891.3-176.5-179.40000109.5P37 T41P37-V39 PolarHBondContact O-N 2.97Å; V39-T41 PolarHBondContact O-N 3.39Å
40Y60.6Low68.3Low205 Ų205112.1 Ų112.180%0.80460%0.603SS**  trans-59.195.6175-70.7-83.3000111.5S38 L42S38-Y40 VanDerWaalsContact O-CD2 3.23Å; S38-Y40 WeakPolarHBondContact O-CD2 3.44Å; S38-Y40 PolarHBondContact O-N 3.4Å; Y40-L42 PolarHBondContact O-N 3.44Å
41T72.8Confident70.7Confident132 Ų132113.5 Ų113.581%0.8159%0.593SS**  trans-68.8112.2176.445.10000110.2V39 S43V39-T41 PolarHBondContact O-N 3.39Å; T41-S43 PolarHBondContact O-N 2.89Å
42L79.9Confident73.2Confident74 Ų74105.4 Ų105.439%0.38755%0.549SS..  trans-68.8130.4-179.1-158.174.9000110.1Y40 K46 R47 K50Y40-L42 PolarHBondContact O-N 3.44Å; L42-K46 HydrophobicContact CD1-CB 4.37Å; L42-K46 HydrophobicContact CD1-CD 3.62Å; L42-K46 HydrophobicContact CD1-CG 3.85Å; L42-K46 HydrophobicContact CD2-CB 4.43Å; L42-K46 HydrophobicContact CD2-CG 4.22Å; L42-K46 HydrophobicContact CG-CB 4.03Å; L42-K46 HydrophobicContact CG-CD 4.21Å; L42-K46 HydrophobicContact CG-CG 3.97Å; L42-R47 HydrophobicContact CD2-CB 4.36Å; L42-K50 HydrophobicContact CD2-CD 4.44Å
43S90.5Very high75.7Confident66 Ų66104.1 Ų104.146%0.46253%0.528SS..  trans-57.4149178.365.90000112.2T41 E45 K46 R47T41-S43 PolarHBondContact O-N 2.89Å; S43-E45 PolarHBondContact O-N 3.02Å; S43-K46 CarbonylContact O-C 3.54Å; S43-K46 PolarHBondContact O-N 3.39Å; S43-K46 VanDerWaalsContact OG-CB 3.31Å; S43-K46 WeakPolarHBondContact OG-CB 3.47Å; S43-K46 PolarHBondContact OG-N 2.92Å; S43-R47 WeakPolarHBondContact O-CB 3.46Å; S43-R47 PolarHBondContact O-N 3.28Å
44D91.7Very high78.2Confident39 Ų39101.3 Ų101.321%0.20951%0.513CS..Hα-helixtrans-56.8-37.3-177.5-91.429.7000112.6R47 L48 Y116 S117 I119D44-R47 PolarHBondContact O-N 3.12Å; D44-R47 IonicContact OD1-CZ 3.77Å; D44-R47 IonicContact OD1-NH1 2.58Å; D44-R47 PolarHBondContact OD1-NH1 3.43Å; D44-R47 IonicContact OD1-NH2 3.17Å; D44-R47 PolarHBondContact OD1-NH2 3.02Å; D44-R47 IonicContact OD2-CZ 3.06Å; D44-R47 IonicContact OD2-NH1 2.7Å; D44-R47 IonicContact OD2-NH2 2.73Å; D44-R47 PolarHBondContact OD2-NH2 3.25Å; D44-L48 VanDerWaalsContact O-CB 3.25Å; D44-L48 WeakPolarHBondContact O-CB 3.44Å; D44-L48 PolarHBondContact O-N 3.07Å; D44-Y116 WeakPolarHBondContact OD2-CA 3.4Å; D44-S117 PolarHBondContact OD2-N 3.25Å; D44-S117 PolarHBondContact OD2-OG 3.49Å; D44-I119 HydrophobicContact CB-CD1 4.26Å
45E94.2Very high80.6Confident86 Ų8698.7 Ų98.740%0.40249%0.494SS..Hα-helixtrans-62.2-48.8172.4-167.5-164.4179.500111.9S43 R47 L48 I49 I119 V122S43-E45 PolarHBondContact O-N 3.02Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 2.86Å; E45-L48 WeakPolarHBondContact O-CB 3.43Å; E45-L48 PolarHBondContact O-N 3.28Å; E45-I49 HydrophobicContact CG-CD1 3.89Å; E45-I49 HydrophobicContact CG-CG1 4.49Å; E45-I49 WeakPolarHBondContact O-CG1 3.27Å; E45-I49 PolarHBondContact O-N 3Å; E45-I119 HydrophobicContact CB-CD1 3.71Å; E45-I119 HydrophobicContact CG-CD1 4.35Å; E45-V122 HydrophobicContact CG-CG1 4.21Å
46K92.8Very high82.7Confident132 Ų13290.6 Ų90.657%0.57445%0.451SS*.Hα-helixtrans-71-27.6-178.6-168.1171.9178.5-178.80111.5L42 S43 K50L42-K46 HydrophobicContact CD1-CB 4.37Å; L42-K46 HydrophobicContact CD1-CD 3.62Å; L42-K46 HydrophobicContact CD1-CG 3.85Å; L42-K46 HydrophobicContact CD2-CB 4.43Å; L42-K46 HydrophobicContact CD2-CG 4.22Å; L42-K46 HydrophobicContact CG-CB 4.03Å; L42-K46 HydrophobicContact CG-CD 4.21Å; L42-K46 HydrophobicContact CG-CG 3.97Å; S43-K46 CarbonylContact O-C 3.54Å; S43-K46 PolarHBondContact O-N 3.39Å; S43-K46 VanDerWaalsContact OG-CB 3.31Å; S43-K46 WeakPolarHBondContact OG-CB 3.47Å; S43-K46 PolarHBondContact OG-N 2.92Å; K46-K50 WeakPolarHBondContact O-CB 3.43Å; K46-K50 PolarHBondContact O-N 3.39Å; K46-K50 VanDerWaalsContact O-N 3.14Å
47R93Very high84.6Confident108 Ų10889 Ų8941%0.40844%0.443SS..Hα-helixtrans-67.9-44.8168.3-172.3175.577.5-138-2.7111.3L42 S43 D44 E45 R51 N115L42-R47 HydrophobicContact CD2-CB 4.36Å; S43-R47 WeakPolarHBondContact O-CB 3.46Å; S43-R47 PolarHBondContact O-N 3.28Å; D44-R47 PolarHBondContact O-N 3.12Å; D44-R47 IonicContact OD1-CZ 3.77Å; D44-R47 IonicContact OD1-NH1 2.58Å; D44-R47 PolarHBondContact OD1-NH1 3.43Å; D44-R47 IonicContact OD1-NH2 3.17Å; D44-R47 PolarHBondContact OD1-NH2 3.02Å; D44-R47 IonicContact OD2-CZ 3.06Å; D44-R47 IonicContact OD2-NH1 2.7Å; D44-R47 IonicContact OD2-NH2 2.73Å; D44-R47 PolarHBondContact OD2-NH2 3.25Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 2.86Å; R47-R51 WeakPolarHBondContact O-CB 3.38Å; R47-R51 PolarHBondContact O-N 2.9Å; R47-N115 PolarHBondContact NH2-O 3.38Å
48L95.1Very high86.7Confident0 Ų087.5 Ų87.50%044%0.441CS..Hα-helixtrans-62.4-55.6176.2174.158.1000111.5D44 E45 K50 R51 L52 W111 Y116 I119 V122D44-L48 VanDerWaalsContact O-CB 3.25Å; D44-L48 WeakPolarHBondContact O-CB 3.44Å; D44-L48 PolarHBondContact O-N 3.07Å; E45-L48 WeakPolarHBondContact O-CB 3.43Å; E45-L48 PolarHBondContact O-N 3.28Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.48Å; L48-R51 WeakPolarHBondContact O-CB 3.34Å; L48-R51 PolarHBondContact O-N 3.45Å; L48-L52 HydrophobicContact CD1-CD1 3.84Å; L48-L52 HydrophobicContact CD1-CD2 4.38Å; L48-L52 HydrophobicContact CD1-CG 3.87Å; L48-L52 HydrophobicContact CG-CD1 3.98Å; L48-L52 HydrophobicContact CG-CG 4.39Å; L48-L52 WeakPolarHBondContact O-CG 3.31Å; L48-L52 PolarHBondContact O-N 2.92Å; L48-W111 HydrophobicContact CD1-CB 3.94Å; L48-W111 HydrophobicContact CD1-CD2 3.92Å; L48-W111 HydrophobicContact CD1-CE3 4.38Å; L48-W111 HydrophobicContact CD1-CG 3.69Å; L48-W111 HydrophobicContact CD2-CD2 3.95Å; L48-W111 HydrophobicContact CD2-CG 4.2Å; L48-W111 HydrophobicContact CD2-CZ2 3.98Å; L48-W111 HydrophobicContact CG-CD2 4.46Å; L48-Y116 HydrophobicContact CB-CD1 3.64Å; L48-Y116 HydrophobicContact CB-CE1 3.94Å; L48-Y116 HydrophobicContact CB-CG 4.02Å; L48-Y116 HydrophobicContact CD1-CD1 4.29Å; L48-Y116 HydrophobicContact CD1-CD2 3.91Å; L48-Y116 HydrophobicContact CD1-CE1 4.18Å; L48-Y116 HydrophobicContact CD1-CE2 3.8Å; L48-Y116 HydrophobicContact CD1-CG 4.15Å; L48-Y116 HydrophobicContact CD2-CD2 4.46Å; L48-Y116 HydrophobicContact CD2-CG 4.23Å; L48-Y116 HydrophobicContact CG-CD1 4.41Å; L48-Y116 HydrophobicContact CG-CG 4.36Å; L48-I119 HydrophobicContact CD2-CB 4.39Å; L48-I119 HydrophobicContact CD2-CG2 3.94Å; L48-V122 HydrophobicContact CD2-CG1 3.63Å; L48-V122 HydrophobicContact CG-CG1 4.27Å
49I95Very high88.8Confident32 Ų3287.1 Ų87.116%0.16444%0.442CS..Hα-helixtrans-57.9-44.7180-67.2170.2000110.7E45 R51 L52 L53 V122E45-I49 HydrophobicContact CG-CD1 3.89Å; E45-I49 HydrophobicContact CG-CG1 4.49Å; E45-I49 WeakPolarHBondContact O-CG1 3.27Å; E45-I49 PolarHBondContact O-N 3Å; I49-R51 VanDerWaalsContact C-N 3.34Å; I49-R51 PolarHBondContact O-N 3Å; I49-L52 PolarHBondContact O-N 3.29Å; I49-L53 HydrophobicContact CG2-CD1 3.93Å; I49-L53 HydrophobicContact CG2-CG 4.34Å; I49-L53 WeakPolarHBondContact O-CB 3.47Å; I49-L53 WeakPolarHBondContact O-CG 3.5Å; I49-L53 PolarHBondContact O-N 2.94Å; I49-V122 HydrophobicContact CD1-CB 4.17Å; I49-V122 HydrophobicContact CD1-CG1 4.46Å; I49-V122 HydrophobicContact CG1-CB 3.95Å; I49-V122 HydrophobicContact CG1-CG1 4.1Å; I49-V122 HydrophobicContact CG1-CG2 4.32Å
50K94.2Very high90.3Very high129 Ų12982.5 Ų82.556%0.56142%0.422SS*.Hα-helixtrans-60.8-40.5175.4-173.2177.2-178.4-1800112.1L42 K46 L48 N54L42-K50 HydrophobicContact CD2-CD 4.44Å; K46-K50 WeakPolarHBondContact O-CB 3.43Å; K46-K50 PolarHBondContact O-N 3.39Å; K46-K50 VanDerWaalsContact O-N 3.14Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.48Å; K50-N54 VanDerWaalsContact O-CB 3.27Å; K50-N54 WeakPolarHBondContact O-CB 3.44Å; K50-N54 PolarHBondContact O-N 3.2Å; K50-N54 PolarHBondContact O-OD1 3.31Å
51R94.3Very high91.7Very high164 Ų16475.9 Ų75.962%0.61940%0.399SS*.Hα-helixtrans-67.4-43.8175.9-174-173.3178163.1-1.1112R47 L48 I49 K55 Y116R47-R51 WeakPolarHBondContact O-CB 3.38Å; R47-R51 PolarHBondContact O-N 2.9Å; L48-R51 WeakPolarHBondContact O-CB 3.34Å; L48-R51 PolarHBondContact O-N 3.45Å; I49-R51 VanDerWaalsContact C-N 3.34Å; I49-R51 PolarHBondContact O-N 3Å; R51-K55 VanDerWaalsContact O-CB 3.25Å; R51-K55 WeakPolarHBondContact O-CB 3.31Å; R51-K55 PolarHBondContact O-N 3.24Å; R51-Y116 WeakPolarHBondContact CD-OH 3.15Å; R51-Y116 PolarHBondContact NH1-OH 2.98Å
52L95.5Very high92.4Very high7 Ų776.3 Ų76.34%0.03740%0.402CS..Hα-helixtrans-62.7-49.4179.3-71.2176.5000111.1L48 I49 K55 Y56 L109 W111 V122L48-L52 HydrophobicContact CD1-CD1 3.84Å; L48-L52 HydrophobicContact CD1-CD2 4.38Å; L48-L52 HydrophobicContact CD1-CG 3.87Å; L48-L52 HydrophobicContact CG-CD1 3.98Å; L48-L52 HydrophobicContact CG-CG 4.39Å; L48-L52 WeakPolarHBondContact O-CG 3.31Å; L48-L52 PolarHBondContact O-N 2.92Å; I49-L52 PolarHBondContact O-N 3.29Å; L52-K55 WeakPolarHBondContact O-CB 3.49Å; L52-K55 PolarHBondContact O-N 2.91Å; L52-Y56 WeakPolarHBondContact O-CB 3.48Å; L52-Y56 PolarHBondContact O-N 2.91Å; L52-L109 HydrophobicContact CB-CD2 4.21Å; L52-W111 HydrophobicContact CD1-CE3 3.75Å; L52-W111 HydrophobicContact CD1-CZ3 3.9Å; L52-W111 HydrophobicContact CD2-CE3 4.3Å; L52-V122 HydrophobicContact CD1-CG2 4.06Å
53L95.3Very high92.8Very high36 Ų3674.6 Ų74.619%0.18840%0.402CS..Hα-helixtrans-64.2-43.4178.4-71.8-179.5000112.4I49 K55 Y56 Q57 V124 H128 I129I49-L53 HydrophobicContact CG2-CD1 3.93Å; I49-L53 HydrophobicContact CG2-CG 4.34Å; I49-L53 WeakPolarHBondContact O-CB 3.47Å; I49-L53 WeakPolarHBondContact O-CG 3.5Å; I49-L53 PolarHBondContact O-N 2.94Å; L53-K55 VanDerWaalsContact C-N 3.33Å; L53-K55 PolarHBondContact O-N 3.48Å; L53-Y56 PolarHBondContact O-N 2.93Å; L53-Q57 WeakPolarHBondContact O-CB 3.42Å; L53-Q57 PolarHBondContact O-N 2.86Å; L53-V124 HydrophobicContact CD2-CG1 3.68Å; L53-V124 HydrophobicContact CG-CG1 4.47Å; L53-H128 HydrophobicContact CD2-CB 3.62Å; L53-I129 HydrophobicContact CD2-CG2 4.36Å
54N94.7Very high92.9Very high90 Ų9073.3 Ų73.348%0.48139%0.387SS..Hα-helixtrans-62.9-39.3175.3-73.915.8000112K50 A58K50-N54 VanDerWaalsContact O-CB 3.27Å; K50-N54 WeakPolarHBondContact O-CB 3.44Å; K50-N54 PolarHBondContact O-N 3.2Å; K50-N54 PolarHBondContact O-OD1 3.31Å; N54-A58 VanDerWaalsContact O-CB 3.32Å; N54-A58 WeakPolarHBondContact O-CB 3.43Å; N54-A58 PolarHBondContact O-N 3.23Å
55K93.7Very high93Very high98 Ų9872 Ų7243%0.42638%0.381SS..Hα-helixtrans-63-41.7174.4-178.6-170.5176.2-168.30111.2R51 L52 L53 A58 A59 I108R51-K55 VanDerWaalsContact O-CB 3.25Å; R51-K55 WeakPolarHBondContact O-CB 3.31Å; R51-K55 PolarHBondContact O-N 3.24Å; L52-K55 WeakPolarHBondContact O-CB 3.49Å; L52-K55 PolarHBondContact O-N 2.91Å; L53-K55 VanDerWaalsContact C-N 3.33Å; L53-K55 PolarHBondContact O-N 3.48Å; K55-A58 PolarHBondContact O-N 3.29Å; K55-A59 PolarHBondContact O-N 3.37Å; K55-A59 VanDerWaalsContact O-N 3.08Å; K55-I108 HydrophobicContact CD-CG2 4.2Å; K55-I108 WeakPolarHBondContact CD-O 3.2Å; K55-I108 VanDerWaalsContact CE-O 3.25Å; K55-I108 WeakPolarHBondContact CE-O 3.37Å; K55-I108 HydrophobicContact CG-CG2 4.12Å; K55-I108 PolarHBondContact NZ-O 3.21Å
56Y95Very high93Very high3 Ų369.6 Ų69.61%0.01237%0.372CS..Hα-helixtrans-67-46.9178.4-145-87.9000112L52 L53 A58 A59 G60 I61 D106 I108 L109 I129 W130L52-Y56 WeakPolarHBondContact O-CB 3.48Å; L52-Y56 PolarHBondContact O-N 2.91Å; L53-Y56 PolarHBondContact O-N 2.93Å; Y56-A58 VanDerWaalsContact C-N 3.26Å; Y56-A58 PolarHBondContact O-N 2.9Å; Y56-A59 PolarHBondContact O-N 3.48Å; Y56-A59 VanDerWaalsContact O-N 3.1Å; Y56-G60 PolarHBondContact O-N 3.15Å; Y56-I61 HydrophobicContact CD1-CG1 4.33Å; Y56-D106 WeakPolarHBondContact CE2-OD2 3.45Å; Y56-D106 PolarHBondContact OH-OD2 3.34Å; Y56-I108 HydrophobicContact CD2-CB 3.94Å; Y56-I108 HydrophobicContact CD2-CD1 4.46Å; Y56-I108 HydrophobicContact CD2-CG2 3.69Å; Y56-I108 HydrophobicContact CE2-CB 3.91Å; Y56-I108 HydrophobicContact CE2-CD1 4.08Å; Y56-I108 HydrophobicContact CE2-CG2 4.17Å; Y56-I108 HydrophobicContact CG-CG2 4.48Å; Y56-L109 HydrophobicContact CD2-CD1 4.16Å; Y56-L109 HydrophobicContact CD2-CD2 3.62Å; Y56-L109 HydrophobicContact CD2-CG 3.69Å; Y56-L109 HydrophobicContact CE2-CD1 3.8Å; Y56-L109 HydrophobicContact CE2-CD2 4.12Å; Y56-L109 HydrophobicContact CE2-CG 3.68Å; Y56-L109 HydrophobicContact CG-CD2 4.49Å; Y56-I129 HydrophobicContact CD1-CB 4.41Å; Y56-I129 HydrophobicContact CD1-CG2 4.19Å; Y56-I129 HydrophobicContact CD2-CG2 4.27Å; Y56-I129 HydrophobicContact CE1-CB 4.06Å; Y56-I129 HydrophobicContact CE1-CG2 4.29Å; Y56-I129 HydrophobicContact CE2-CG2 4.36Å; Y56-I129 HydrophobicContact CG-CG2 4.17Å; Y56-W130 WeakPolarHBondContact OH-CB 3.29Å; Y56-W130 PolarHBondContact OH-N 3.27Å; Y56-W130 VanDerWaalsContact OH-N 3.15Å
57Q93.4Very high92.9Very high140 Ų14070.3 Ų70.365%0.65438%0.375SS*.Hα-helixtrans-61.4-35.1176.9-171.9178.12.200112.2L53L53-Q57 WeakPolarHBondContact O-CB 3.42Å; L53-Q57 PolarHBondContact O-N 2.86Å
58A92.8Very high92.9Very high89 Ų8970.8 Ų70.874%0.73638%0.382SS*.Hα-helixtrans-73.8-26.9174.900000113.9N54 K55 Y56N54-A58 VanDerWaalsContact O-CB 3.32Å; N54-A58 WeakPolarHBondContact O-CB 3.43Å; N54-A58 PolarHBondContact O-N 3.23Å; K55-A58 PolarHBondContact O-N 3.29Å; Y56-A58 VanDerWaalsContact C-N 3.26Å; Y56-A58 PolarHBondContact O-N 2.9Å
59A91.7Very high92.6Very high67 Ų6777.1 Ų77.155%0.55442%0.42SS*.Hα-helixtrans-80.9-27.7172.700000112.7K55 Y56 I108K55-A59 PolarHBondContact O-N 3.37Å; K55-A59 VanDerWaalsContact O-N 3.08Å; Y56-A59 PolarHBondContact O-N 3.48Å; Y56-A59 VanDerWaalsContact O-N 3.1Å; A59-I108 HydrophobicContact CB-CD1 4.06Å; A59-I108 HydrophobicContact CB-CG2 4.38Å
60G90.3Very high92.5Very high36 Ų3680.6 Ų80.637%0.37145%0.447SS..  trans106.5130.6-176.100000111.8Y56Y56-G60 PolarHBondContact O-N 3.15Å
61I88.8Confident92.5Very high65 Ų6577.9 Ų77.933%0.33344%0.437SS..SBendtrans-78.7-28-178.6-53.4173.9000111.2Y56 G63Y56-I61 HydrophobicContact CD1-CG1 4.33Å; I61-G63 PolarHBondContact O-N 2.93Å
62T88.2Confident92.5Very high142 Ų14275.3 Ų75.387%0.87143%0.43SS*.SBendtrans-94.295.7-174.652.20000112
63G88.2Confident92.5Very high37 Ų3775.4 Ų75.438%0.38143%0.431SS..SBendtrans161.1157.8173.500000111.5I61 W130I61-G63 PolarHBondContact O-N 2.93Å; G63-W130 VanDerWaalsContact O-CG 3.26Å
64R93.8Very high92.5Very high40 Ų4077.7 Ų77.715%0.15144%0.443CS..  trans-65.1136.1174.6-64.3-176.6-60123.37.1109.5V66 T69 E71 V73 W130 Y195 K199R64-V66 HydrophobicContact CB-CG1 4.41Å; R64-V66 HydrophobicContact CB-CG2 4.28Å; R64-V66 PolarHBondContact O-N 3.27Å; R64-T69 PolarHBondContact NH2-O 3.27Å; R64-E71 PolarHBondContact NH1-O 3.11Å; R64-V73 HydrophobicContact CB-CG2 3.83Å; R64-V73 HydrophobicContact CG-CG2 4.25Å; R64-W130 HydrophobicContact CG-CZ2 4.24Å; R64-Y195 HydrophobicContact CG-CD1 4.46Å; R64-Y195 HydrophobicContact CG-CE1 3.81Å; R64-Y195 HydrophobicContact CG-CE2 4.21Å; R64-K199 WeakPolarHBondContact CD-O 3.5Å; R64-K199 PolarHBondContact NH1-O 2.99Å
65P93.8Very high92.6Very high11 Ų1173.4 Ų73.47%0.07142%0.42CS..SBendtrans-78.650.3-175.432.5-37.9000113.9D106 H107 W130P65-D106 HydrophobicContact CB-CB 4.21Å; P65-D106 VanDerWaalsContact CB-CG 3.49Å; P65-D106 WeakPolarHBondContact CB-OD2 3.3Å; P65-D106 HydrophobicContact CG-CB 4.38Å; P65-H107 PolarHBondContact O-CE1 3.04Å; P65-H107 PolarHBondContact O-ND1 2.95Å; P65-W130 VanDerWaalsContact CD-CE3 3.47Å; P65-W130 HydrophobicContact CG-CD2 4.41Å; P65-W130 HydrophobicContact CG-CE3 3.86Å; P65-W130 HydrophobicContact CG-CZ3 4.28Å
66V93.3Very high92.8Very high35 Ų3570.9 Ų70.921%0.21241%0.41CS..  trans-98.8156.7179.4-65.10000111.5R64 H68 E71 V73 H107R64-V66 HydrophobicContact CB-CG1 4.41Å; R64-V66 HydrophobicContact CB-CG2 4.28Å; R64-V66 PolarHBondContact O-N 3.27Å; V66-H68 WeakPolarHBondContact CG2-O 3.33Å; V66-E71 HydrophobicContact CB-CB 4.04Å; V66-E71 HydrophobicContact CG1-CB 3.94Å; V66-V73 HydrophobicContact CG1-CG2 3.73Å; V66-H107 PolarHBondContact O-CE1 3.45Å
67K90.8Very high92.9Very high148 Ų14870.8 Ų70.864%0.64341%0.409SS*.SBendtrans-85.9-37.9172.6-66.9178.2178.8176.90111.6E71K67-E71 WeakPolarHBondContact CA-OE2 3.33Å; K67-E71 PolarHBondContact N-OE2 3Å
68H92.6Very high93Very high118 Ų11864.4 Ų64.455%0.54638%0.38SS..SBendtrans-119.9140.9179.9-58.1-67.6000109.9V66 S70 E71V66-H68 WeakPolarHBondContact CG2-O 3.33Å; H68-S70 PolarHBondContact O-N 2.86Å; H68-S70 VanDerWaalsContact O-N 3.14Å; H68-E71 HydrophobicContact CB-CG 4.09Å; H68-E71 IonicContact CD2-OE1 3.52Å; H68-E71 PolarHBondContact N-OE2 3.36Å; H68-E71 WeakPolarHBondContact O-CB 3.08Å; H68-E71 PolarHBondContact O-N 3.06Å
69T90Very high93.2Very high132 Ų13260.2 Ų60.281%0.8135%0.345SS*.THydrogen-bonded Turntrans-62-25.1-175.847.40000113.5R64R64-T69 PolarHBondContact NH2-O 3.27Å
70S91.7Very high93.4Very high105 Ų10557.6 Ų57.673%0.73432%0.323SS*.THydrogen-bonded Turntrans-80.4-13.8175.949.70000115.1H68H68-S70 PolarHBondContact O-N 2.86Å; H68-S70 VanDerWaalsContact O-N 3.14Å
71E94.1Very high93.7Very high72 Ų7256 Ų5634%0.33631%0.306SS..PPolyproline II helixtrans-70.4140.4172.2-68.5166.6157.300109.3R64 V66 K67 H68R64-E71 PolarHBondContact NH1-O 3.11Å; V66-E71 HydrophobicContact CB-CB 4.04Å; V66-E71 HydrophobicContact CG1-CB 3.94Å; K67-E71 WeakPolarHBondContact CA-OE2 3.33Å; K67-E71 PolarHBondContact N-OE2 3Å; H68-E71 HydrophobicContact CB-CG 4.09Å; H68-E71 IonicContact CD2-OE1 3.52Å; H68-E71 PolarHBondContact N-OE2 3.36Å; H68-E71 WeakPolarHBondContact O-CB 3.08Å; H68-E71 PolarHBondContact O-N 3.06Å
72K94.2Very high94.1Very high110 Ų11054.5 Ų54.548%0.47830%0.299SS..PPolyproline II helixtrans-95.1144.3171.372.1-177-172.5170.80110.6N198 D201K72-N198 WeakPolarHBondContact CB-O 3.47Å; K72-D201 HydrophobicContact CD-CB 4Å; K72-D201 IonicContact NZ-OD2 3.72Å; K72-D201 PolarHBondContact NZ-OD2 3.14Å
73V95.9Very high94.4Very high10 Ų1051.3 Ų51.36%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-83.7122.7169.7-176.70000108R64 V66 V75 W130 K199 L200 D201R64-V73 HydrophobicContact CB-CG2 3.83Å; R64-V73 HydrophobicContact CG-CG2 4.25Å; V66-V73 HydrophobicContact CG1-CG2 3.73Å; V73-V75 HydrophobicContact CG1-CG2 4.02Å; V73-W130 HydrophobicContact CB-CH2 4.4Å; V73-W130 HydrophobicContact CG1-CH2 3.92Å; V73-W130 HydrophobicContact CG1-CZ3 4Å; V73-W130 HydrophobicContact CG2-CH2 4.45Å; V73-K199 PolarHBondContact N-O 2.95Å; V73-L200 WeakPolarHBondContact O-CA 3.31Å; V73-D201 PolarHBondContact O-N 3.34Å
74L95.9Very high94.8Very high84 Ų8449.8 Ų49.844%0.4426%0.257SS..EExtended strand (participates in β ladder)trans-84.8125167.9-174.965.6000108.9D201 T203L74-D201 HydrophobicContact CD1-CB 4.39Å; L74-T203 HydrophobicContact CD1-CG2 3.75Å
75V97Very high94.8Very high0 Ų051.8 Ų51.80%027%0.27CS..EExtended strand (participates in β ladder)trans-118.5106.4173.1-175.50000107.8V73 Y102 R103 W104 P132 I134 L200 D201 V202 T203V73-V75 HydrophobicContact CG1-CG2 4.02Å; V75-Y102 HydrophobicContact CG1-CD1 4.27Å; V75-R103 CarbonylContact C-O 3.44Å; V75-R103 WeakPolarHBondContact CA-O 3.35Å; V75-W104 HydrophobicContact CG2-CB 4.33Å; V75-P132 HydrophobicContact CG1-CB 4.41Å; V75-P132 HydrophobicContact CG1-CG 4.06Å; V75-P132 HydrophobicContact CG2-CB 4.04Å; V75-P132 HydrophobicContact CG2-CG 4.36Å; V75-I134 HydrophobicContact CB-CD1 4.37Å; V75-I134 HydrophobicContact CG1-CD1 3.76Å; V75-L200 HydrophobicContact CB-CD2 4.22Å; V75-L200 HydrophobicContact CG2-CD1 4.28Å; V75-L200 HydrophobicContact CG2-CD2 3.79Å; V75-L200 HydrophobicContact CG2-CG 3.99Å; V75-D201 PolarHBondContact N-O 2.87Å; V75-V202 WeakPolarHBondContact O-CA 3.39Å; V75-T203 PolarHBondContact O-N 3.5Å; V75-T203 VanDerWaalsContact O-N 3.08Å
76E97.1Very high94.8Very high45 Ų4555.3 Ų55.321%0.2129%0.288CS..EExtended strand (participates in β ladder)trans-77.5138.6168-51.8-174.8118.600109.2Y102 R103 T203 I205E76-Y102 WeakPolarHBondContact O-CA 3.34Å; E76-R103 HydrophobicContact CB-CB 4.27Å; E76-R103 PolarHBondContact N-O 3.38Å; E76-R103 PolarHBondContact O-N 3.1Å; E76-R103 IonicContact OE2-CZ 3.41Å; E76-R103 IonicContact OE2-NE 2.87Å; E76-R103 IonicContact OE2-NH1 2.86Å; E76-R103 PolarHBondContact OE2-NH1 3.23Å; E76-T203 CarbonylContact C-O 3.58Å; E76-T203 WeakPolarHBondContact CA-O 3.4Å; E76-I205 HydrophobicContact CB-CB 4.35Å; E76-I205 HydrophobicContact CB-CG1 3.45Å; E76-I205 VanDerWaalsContact CB-CG1 3.45Å
77M96.7Very high94.7Very high0 Ų053.8 Ų53.80%028%0.279CS..EExtended strand (participates in β ladder)trans-132.1143178.5178.6-177.8179.500111.1L100 N101 Y102 I134 F190 V202 T203 F204 I205 L246 F248M77-L100 HydrophobicContact CE-CD2 3.63Å; M77-N101 CarbonylContact C-O 3.59Å; M77-N101 VanDerWaalsContact CA-O 3.27Å; M77-N101 WeakPolarHBondContact CA-O 3.33Å; M77-Y102 HydrophobicContact CB-CD1 4.23Å; M77-Y102 HydrophobicContact CB-CE1 4.42Å; M77-Y102 HydrophobicContact CE-CE1 4.11Å; M77-Y102 HydrophobicContact CG-CD1 4.07Å; M77-Y102 HydrophobicContact CG-CE1 3.88Å; M77-Y102 HydrophobicContact SD-CD1 4.48Å; M77-Y102 HydrophobicContact SD-CE1 3.76Å; M77-I134 HydrophobicContact SD-CG2 4.1Å; M77-F190 HydrophobicContact CE-CB 4.05Å; M77-F190 HydrophobicContact CE-CD1 4.07Å; M77-F190 HydrophobicContact CE-CD2 3.75Å; M77-F190 HydrophobicContact CE-CE1 4.49Å; M77-F190 HydrophobicContact CE-CE2 4.19Å; M77-F190 HydrophobicContact CE-CG 3.68Å; M77-F190 HydrophobicContact SD-CB 4.08Å; M77-F190 HydrophobicContact SD-CG 4.37Å; M77-V202 HydrophobicContact CB-CG1 4.3Å; M77-T203 PolarHBondContact N-O 3.09Å; M77-F204 WeakPolarHBondContact O-CA 3.37Å; M77-I205 PolarHBondContact O-N 2.91Å; M77-I205 VanDerWaalsContact O-N 3.14Å; M77-L246 HydrophobicContact CB-CD1 3.84Å; M77-L246 HydrophobicContact CG-CD1 4.27Å; M77-L246 HydrophobicContact SD-CD1 4.18Å; M77-F248 HydrophobicContact CE-CE2 4.17Å; M77-F248 HydrophobicContact SD-CE2 4.45Å
78S96.1Very high94.8Very high6 Ų648.9 Ų48.94%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-136.7164.8158.973.60000111.1N101S78-N101 PolarHBondContact N-O 3.49Å; S78-N101 PolarHBondContact O-N 3.45Å
79L96.2Very high94.5Very high1 Ų144.9 Ų44.91%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-130.4121.2-178.3-174.7156.9000108.8V98 W99 L100 L188 F190 V211 L212 F248L79-V98 HydrophobicContact CD2-CB 4.11Å; L79-V98 HydrophobicContact CD2-CG1 3.83Å; L79-V98 HydrophobicContact CG-CB 4.17Å; L79-V98 HydrophobicContact CG-CG1 4.29Å; L79-V98 HydrophobicContact CG-CG2 4.45Å; L79-W99 WeakPolarHBondContact CA-O 3.36Å; L79-L100 HydrophobicContact CD1-CD2 4.35Å; L79-L188 HydrophobicContact CD1-CD1 4.17Å; L79-F190 HydrophobicContact CD1-CD2 4.43Å; L79-F190 HydrophobicContact CD1-CE2 3.48Å; L79-F190 VanDerWaalsContact CD1-CE2 3.48Å; L79-F190 HydrophobicContact CD1-CZ 4Å; L79-V211 HydrophobicContact CD2-CB 4.49Å; L79-V211 HydrophobicContact CD2-CG1 3.66Å; L79-V211 HydrophobicContact CD2-CG2 4.23Å; L79-V211 WeakPolarHBondContact O-CA 3.48Å; L79-L212 PolarHBondContact O-N 3.4Å; L79-F248 HydrophobicContact CB-CD1 4.14Å; L79-F248 HydrophobicContact CB-CE1 3.87Å; L79-F248 HydrophobicContact CB-CE2 4.36Å; L79-F248 HydrophobicContact CB-CZ 3.99Å; L79-F248 HydrophobicContact CD1-CD2 4.32Å; L79-F248 HydrophobicContact CD1-CG 4.46Å
80S96.5Very high94.2Very high13 Ų1343.8 Ų43.89%0.09123%0.225CC..EExtended strand (participates in β ladder)trans-103122.6171.3-51.50000109.7V98 W99 L212S80-V98 CarbonylContact O-C 3.6Å; S80-V98 WeakPolarHBondContact O-CA 3.46Å; S80-V98 WeakPolarHBondContact O-CB 3.27Å; S80-W99 PolarHBondContact N-O 3.13Å; S80-W99 PolarHBondContact O-N 3.47Å; S80-L212 WeakPolarHBondContact CA-O 3.4Å
81L96.9Very high94Very high1 Ų143.8 Ų43.81%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-82.4117.7176.9177.267.1000109.5I84 T96 V98 V211 L212 L213 Y216 L250L81-I84 HydrophobicContact CD2-CG1 4.14Å; L81-T96 HydrophobicContact CD1-CG2 3.71Å; L81-V98 HydrophobicContact CD1-CG1 4.1Å; L81-V211 HydrophobicContact CB-CG1 3.76Å; L81-L212 PolarHBondContact N-O 2.75Å; L81-L213 HydrophobicContact CB-CD2 4Å; L81-L213 HydrophobicContact CD2-CD2 4.03Å; L81-L213 HydrophobicContact CG-CD2 4.48Å; L81-Y216 HydrophobicContact CD2-CD2 3.91Å; L81-Y216 HydrophobicContact CD2-CE2 3.76Å; L81-Y216 HydrophobicContact CG-CD2 3.85Å; L81-Y216 HydrophobicContact CG-CE2 4.06Å; L81-Y216 WeakPolarHBondContact O-CA 3.4Å; L81-Y216 WeakPolarHBondContact O-CB 3.49Å; L81-L250 HydrophobicContact CD2-CD1 4.38Å; L81-L250 HydrophobicContact CD2-CD2 4.24Å
82I96.3Very high93.8Very high35 Ų3542.7 Ų42.718%0.17921%0.212CC..EExtended strand (participates in β ladder)trans-84.1-50.8177.5-52.8167.9000109.2S97 W99 Y216 T217I82-S97 WeakPolarHBondContact CB-O 3.38Å; I82-S97 PolarHBondContact N-O 3.21Å; I82-W99 HydrophobicContact CD1-CD2 4.01Å; I82-W99 HydrophobicContact CD1-CG 3.96Å; I82-W99 HydrophobicContact CD1-CZ2 4.32Å; I82-W99 HydrophobicContact CG1-CG 4.22Å; I82-Y216 WeakPolarHBondContact O-CA 3.22Å; I82-T217 PolarHBondContact O-N 3.31Å
83Q95.9Very high93.8Very high74 Ų7438.4 Ų38.435%0.34620%0.195SC..EExtended strand (participates in β ladder)trans-158.4145.2179.9-156.6-178.62.500111.5L85 S97Q83-L85 HydrophobicContact CB-CD2 4.41Å; Q83-S97 PolarHBondContact N-O 3.12Å; Q83-S97 PolarHBondContact O-N 2.9Å
84I96.1Very high93.8Very high5 Ų538 Ų383%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-81.4112.9160.2-59.2170.2000106.5L81 L94 T96 Y216 W222 V224 L252L81-I84 HydrophobicContact CD2-CG1 4.14Å; I84-L94 HydrophobicContact CG2-CD1 4.05Å; I84-T96 HydrophobicContact CG1-CG2 4.46Å; I84-Y216 HydrophobicContact CG1-CE2 4.42Å; I84-W222 HydrophobicContact CD1-CB 4.17Å; I84-V224 HydrophobicContact CD1-CG2 3.97Å; I84-L252 HydrophobicContact CD1-CD1 4.16Å; I84-L252 HydrophobicContact CD1-CD2 3.54Å
85L93.6Very high93.7Very high82 Ų8234.8 Ų34.843%0.42918%0.176SC..EExtended strand (participates in β ladder)trans-83.9-40.9-176.4-66.2175.9000111.7Q83 T95 I167Q83-L85 HydrophobicContact CB-CD2 4.41Å; L85-T95 HydrophobicContact CB-CG2 4.09Å; L85-T95 HydrophobicContact CD1-CG2 4.14Å; L85-T95 PolarHBondContact N-O 2.56Å; L85-I167 HydrophobicContact CD1-CD1 4.4Å; L85-I167 HydrophobicContact CD1-CG1 4.47Å; L85-I167 HydrophobicContact CD1-CG2 3.94Å
86D93.1Very high93.6Very high86 Ų8634.8 Ų34.846%0.4618%0.176SC..EExtended strand (participates in β ladder)trans-161.6155.4-179.9-164.57.2000110.5T95D86-T95 PolarHBondContact N-O 3.38Å; D86-T95 PolarHBondContact O-N 2.97Å
87L92.9Very high93.6Very high3 Ų333.7 Ų33.72%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-134.683167-178.355.2000108.6E89 L94 C172 I174 Q184 W222 L252L87-E89 VanDerWaalsContact O-CD 3.26Å; L87-E89 PolarHBondContact O-N 3.03Å; L87-L94 HydrophobicContact CB-CD1 4.41Å; L87-L94 HydrophobicContact CD1-CB 3.73Å; L87-L94 HydrophobicContact CD1-CD1 4Å; L87-L94 HydrophobicContact CD1-CG 4.46Å; L87-C172 HydrophobicContact CD1-CB 4.45Å; L87-I174 HydrophobicContact CD1-CD1 3.92Å; L87-I174 HydrophobicContact CD2-CD1 4.22Å; L87-I174 HydrophobicContact CG-CD1 4.19Å; L87-Q184 HydrophobicContact CD2-CB 4.44Å; L87-Q184 HydrophobicContact CD2-CG 4.39Å; L87-W222 HydrophobicContact CB-CZ2 4.25Å; L87-W222 HydrophobicContact CD2-CD2 4.42Å; L87-W222 HydrophobicContact CD2-CH2 3.89Å; L87-W222 HydrophobicContact CD2-CZ2 3.74Å; L87-W222 HydrophobicContact CD2-CZ3 4.31Å; L87-W222 HydrophobicContact CG-CZ2 4.31Å; L87-L252 HydrophobicContact CD2-CD1 4.07Å
88D91Very high93.5Very high45 Ų4533.7 Ų33.724%0.24117%0.174CC..EExtended strand (participates in β ladder)trans-67.796-178.9-178.4-22.7000109.5K90 N91 Q92 V93D88-K90 PolarHBondContact O-N 3.01Å; D88-K90 WeakPolarHBondContact OD1-CB 3.4Å; D88-K90 PolarHBondContact OD1-N 2.87Å; D88-K90 VanDerWaalsContact OD1-N 3.11Å; D88-N91 PolarHBondContact OD1-N 3.45Å; D88-N91 PolarHBondContact OD2-ND2 3.22Å; D88-Q92 WeakPolarHBondContact O-CA 3.34Å; D88-Q92 PolarHBondContact O-N 3.48Å; D88-V93 PolarHBondContact N-O 2.71Å; D88-V93 PolarHBondContact O-N 3.26Å
89E87.7Confident93.5Very high34 Ų3437.7 Ų37.716%0.15919%0.188CC..THydrogen-bonded Turntrans-71.4-23.6-177.2-49.695.6148.800112.1L87 I174 R254 P310L87-E89 VanDerWaalsContact O-CD 3.26Å; L87-E89 PolarHBondContact O-N 3.03Å; E89-I174 HydrophobicContact CB-CG1 4.12Å; E89-I174 HydrophobicContact CB-CG2 4.14Å; E89-I174 HydrophobicContact CG-CG1 4.35Å; E89-I174 HydrophobicContact CG-CG2 4.14Å; E89-R254 IonicContact OE1-CZ 3.97Å; E89-R254 IonicContact OE1-NH1 2.7Å; E89-R254 PolarHBondContact OE1-NH1 3.31Å; E89-R254 IonicContact OE1-NH2 3.14Å; E89-R254 PolarHBondContact OE1-NH2 3.04Å; E89-P310 WeakPolarHBondContact O-CB 3.48Å; E89-P310 WeakPolarHBondContact O-CG 3.42Å
90K84Confident93.5Very high109 Ų10937.8 Ų37.847%0.47419%0.188SC..THydrogen-bonded Turntrans-70.4-44.4-178.7177.3-175.8170.1-1730111.4D88D88-K90 PolarHBondContact O-N 3.01Å; D88-K90 WeakPolarHBondContact OD1-CB 3.4Å; D88-K90 PolarHBondContact OD1-N 2.87Å; D88-K90 VanDerWaalsContact OD1-N 3.11Å
91N87.1Confident93.5Very high104 Ų10438.7 Ų38.756%0.55619%0.192SC*.THydrogen-bonded Turntrans-94.7-6.2178-61.1-41.8000112.9D88 V93D88-N91 PolarHBondContact OD1-N 3.45Å; D88-N91 PolarHBondContact OD2-ND2 3.22Å; N91-V93 HydrophobicContact CB-CG2 4.3Å
92Q90.6Very high93.4Very high49 Ų4939 Ų3923%0.22919%0.193CC..THydrogen-bonded Turntrans63.247.9179.5-62.3-178.412.700112.7D88 S171 C172 I174 A312D88-Q92 WeakPolarHBondContact O-CA 3.34Å; D88-Q92 PolarHBondContact O-N 3.48Å; Q92-S171 WeakPolarHBondContact O-CA 3.45Å; Q92-C172 CarbonylContact C-O 3.54Å; Q92-C172 WeakPolarHBondContact CB-O 3.29Å; Q92-C172 PolarHBondContact O-N 3.2Å; Q92-I174 HydrophobicContact CG-CG1 4.35Å; Q92-A312 PolarHBondContact NE2-O 3.06Å
93V93.1Very high93.5Very high21 Ų2140.2 Ų40.213%0.12720%0.196CC..EExtended strand (participates in β ladder)trans-127.2120.2-176.7-177.10000111.7D88 N91 A140 K169 S170D88-V93 PolarHBondContact N-O 2.71Å; D88-V93 PolarHBondContact O-N 3.26Å; N91-V93 HydrophobicContact CB-CG2 4.3Å; V93-A140 HydrophobicContact CG1-CB 4.04Å; V93-A140 HydrophobicContact CG2-CB 3.73Å; V93-K169 HydrophobicContact CG1-CB 3.76Å; V93-K169 HydrophobicContact CG1-CD 4.28Å; V93-K169 HydrophobicContact CG1-CG 4.04Å; V93-S170 CarbonylContact C-O 3.56Å; V93-S170 WeakPolarHBondContact CA-O 3.34Å
94L95.1Very high93.5Very high0 Ų037 Ų370%018%0.18CC..EExtended strand (participates in β ladder)trans-84.9129.1166.6173.364.8000109.3I84 L87 T96 K169 S170 C172 C186 L250 L252I84-L94 HydrophobicContact CG2-CD1 4.05Å; L87-L94 HydrophobicContact CB-CD1 4.41Å; L87-L94 HydrophobicContact CD1-CB 3.73Å; L87-L94 HydrophobicContact CD1-CD1 4Å; L87-L94 HydrophobicContact CD1-CG 4.46Å; L94-T96 HydrophobicContact CD1-CG2 3.97Å; L94-T96 HydrophobicContact CD2-CG2 3.95Å; L94-T96 HydrophobicContact CG-CG2 3.89Å; L94-K169 CarbonylContact O-C 3.55Å; L94-K169 WeakPolarHBondContact O-CA 3.33Å; L94-S170 PolarHBondContact N-O 3.08Å; L94-S170 PolarHBondContact O-N 3.12Å; L94-C172 HydrophobicContact CB-CB 4.11Å; L94-C186 HydrophobicContact CD2-CB 3.58Å; L94-L250 HydrophobicContact CD2-CD1 4.14Å; L94-L252 HydrophobicContact CD1-CD1 4.35Å
95T95.1Very high93.5Very high17 Ų1741 Ų4110%0.10421%0.206CC..EExtended strand (participates in β ladder)trans-111.1114.5172.2-50.30000110.3L85 D86 I167 F168 K169L85-T95 HydrophobicContact CB-CG2 4.09Å; L85-T95 HydrophobicContact CD1-CG2 4.14Å; L85-T95 PolarHBondContact N-O 2.56Å; D86-T95 PolarHBondContact N-O 3.38Å; D86-T95 PolarHBondContact O-N 2.97Å; T95-I167 HydrophobicContact CG2-CG2 4.01Å; T95-F168 WeakPolarHBondContact CA-O 3.41Å; T95-K169 HydrophobicContact CG2-CG 4.1Å
96T95.4Very high93.6Very high0 Ų037.1 Ų37.10%019%0.185CC..EExtended strand (participates in β ladder)trans-121.8143.8179.746.70000112.2L81 I84 L94 I167 F168 L250L81-T96 HydrophobicContact CD1-CG2 3.71Å; I84-T96 HydrophobicContact CG1-CG2 4.46Å; L94-T96 HydrophobicContact CD1-CG2 3.97Å; L94-T96 HydrophobicContact CD2-CG2 3.95Å; L94-T96 HydrophobicContact CG-CG2 3.89Å; T96-I167 WeakPolarHBondContact O-CA 3.43Å; T96-F168 PolarHBondContact N-O 3.42Å; T96-F168 PolarHBondContact O-N 3.07Å; T96-L250 HydrophobicContact CG2-CD1 4.37Å
97S95.5Very high93.6Very high23 Ų2336.3 Ų36.316%0.16118%0.179CC..EExtended strand (participates in β ladder)trans-100.7128.1164.6-170.70000109.4I82 Q83 A166I82-S97 WeakPolarHBondContact CB-O 3.38Å; I82-S97 PolarHBondContact N-O 3.21Å; Q83-S97 PolarHBondContact N-O 3.12Å; Q83-S97 PolarHBondContact O-N 2.9Å; S97-A166 WeakPolarHBondContact CA-O 3.28Å
98V96Very high93.7Very high0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-140152.4-171.8-52.90000111.6L79 S80 L81 L100 A166 F168L79-V98 HydrophobicContact CD2-CB 4.11Å; L79-V98 HydrophobicContact CD2-CG1 3.83Å; L79-V98 HydrophobicContact CG-CB 4.17Å; L79-V98 HydrophobicContact CG-CG1 4.29Å; L79-V98 HydrophobicContact CG-CG2 4.45Å; S80-V98 CarbonylContact O-C 3.6Å; S80-V98 WeakPolarHBondContact O-CA 3.46Å; S80-V98 WeakPolarHBondContact O-CB 3.27Å; L81-V98 HydrophobicContact CD1-CG1 4.1Å; V98-L100 HydrophobicContact CG2-CD2 4.22Å; V98-L100 HydrophobicContact CG2-CG 4.23Å; V98-A166 HydrophobicContact CG2-CB 4.09Å; V98-A166 PolarHBondContact N-O 3.36Å; V98-A166 PolarHBondContact O-N 3.19Å; V98-F168 HydrophobicContact CG2-CD2 3.62Å; V98-F168 HydrophobicContact CG2-CE2 3.63Å
99W96.1Very high93.9Very high90 Ų9035.1 Ų35.134%0.34117%0.172SC..EExtended strand (participates in β ladder)trans-89.8127.9154.6-60110.1000108.4L79 S80 I82 I163 P165L79-W99 WeakPolarHBondContact CA-O 3.36Å; S80-W99 PolarHBondContact N-O 3.13Å; S80-W99 PolarHBondContact O-N 3.47Å; I82-W99 HydrophobicContact CD1-CD2 4.01Å; I82-W99 HydrophobicContact CD1-CG 3.96Å; I82-W99 HydrophobicContact CD1-CZ2 4.32Å; I82-W99 HydrophobicContact CG1-CG 4.22Å; W99-I163 HydrophobicContact CB-CG2 4.06Å; W99-I163 HydrophobicContact CD2-CG2 4.44Å; W99-I163 HydrophobicContact CE3-CG2 4.02Å; W99-I163 HydrophobicContact CG-CG2 4.49Å; W99-P165 HydrophobicContact CE3-CB 3.74Å; W99-P165 HydrophobicContact CE3-CG 4.21Å; W99-P165 HydrophobicContact CH2-CB 4.02Å; W99-P165 HydrophobicContact CH2-CG 4.12Å; W99-P165 HydrophobicContact CZ3-CB 3.46Å; W99-P165 VanDerWaalsContact CZ3-CB 3.46Å; W99-P165 HydrophobicContact CZ3-CG 3.52Å
100L95.2Very high94.3Very high2 Ų238.3 Ų38.31%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-92.7127.2164.1-59161.8000106.2M77 L79 V98 Y102 I163 P164 A166 F168 F190M77-L100 HydrophobicContact CE-CD2 3.63Å; L79-L100 HydrophobicContact CD1-CD2 4.35Å; V98-L100 HydrophobicContact CG2-CD2 4.22Å; V98-L100 HydrophobicContact CG2-CG 4.23Å; L100-Y102 HydrophobicContact CB-CD2 4.32Å; L100-Y102 HydrophobicContact CB-CE2 3.64Å; L100-Y102 HydrophobicContact CD1-CE2 4.18Å; L100-Y102 HydrophobicContact CG-CE2 4.47Å; L100-I163 VanDerWaalsContact O-CA 3.25Å; L100-I163 WeakPolarHBondContact O-CA 3.19Å; L100-P164 HydrophobicContact CB-CG 4.37Å; L100-P164 PolarHBondContact N-O 3.47Å; L100-P164 WeakPolarHBondContact O-CD 3.22Å; L100-A166 HydrophobicContact CD1-CB 3.83Å; L100-A166 HydrophobicContact CG-CB 4.33Å; L100-F168 HydrophobicContact CD1-CE2 3.81Å; L100-F168 HydrophobicContact CD1-CZ 3.73Å; L100-F168 HydrophobicContact CD2-CE2 3.83Å; L100-F168 HydrophobicContact CD2-CZ 4.21Å; L100-F168 HydrophobicContact CG-CE2 4.07Å; L100-F168 HydrophobicContact CG-CZ 4.42Å; L100-F190 HydrophobicContact CD2-CE1 4.17Å; L100-F190 HydrophobicContact CD2-CZ 4.04Å
101N96Very high94.8Very high33 Ų3334.4 Ų34.418%0.17617%0.167CC..EExtended strand (participates in β ladder)trans-111.6120.7172.9-176.33.4000108.6M77 S78 I163 I205M77-N101 CarbonylContact C-O 3.59Å; M77-N101 VanDerWaalsContact CA-O 3.27Å; M77-N101 WeakPolarHBondContact CA-O 3.33Å; S78-N101 PolarHBondContact N-O 3.49Å; S78-N101 PolarHBondContact O-N 3.45Å; N101-I163 HydrophobicContact CB-CG1 4.4Å; N101-I205 HydrophobicContact CB-CD1 4.01Å
102Y96.7Very high95.2Very high7 Ų732.7 Ų32.73%0.02716%0.158CC..EExtended strand (participates in β ladder)trans-116.7129.2177.2-59.8-72.9000110.3V75 E76 M77 L100 I134 T161 W162 P164V75-Y102 HydrophobicContact CG1-CD1 4.27Å; E76-Y102 WeakPolarHBondContact O-CA 3.34Å; M77-Y102 HydrophobicContact CB-CD1 4.23Å; M77-Y102 HydrophobicContact CB-CE1 4.42Å; M77-Y102 HydrophobicContact CE-CE1 4.11Å; M77-Y102 HydrophobicContact CG-CD1 4.07Å; M77-Y102 HydrophobicContact CG-CE1 3.88Å; M77-Y102 HydrophobicContact SD-CD1 4.48Å; M77-Y102 HydrophobicContact SD-CE1 3.76Å; L100-Y102 HydrophobicContact CB-CD2 4.32Å; L100-Y102 HydrophobicContact CB-CE2 3.64Å; L100-Y102 HydrophobicContact CD1-CE2 4.18Å; L100-Y102 HydrophobicContact CG-CE2 4.47Å; Y102-I134 HydrophobicContact CD1-CD1 4.1Å; Y102-I134 HydrophobicContact CE1-CB 4.03Å; Y102-I134 HydrophobicContact CE1-CD1 3.79Å; Y102-I134 HydrophobicContact CE1-CG1 4.49Å; Y102-I134 HydrophobicContact CE1-CG2 4.03Å; Y102-T161 WeakPolarHBondContact O-CA 3.37Å; Y102-W162 HydrophobicContact CD2-CD2 4.37Å; Y102-W162 AromaticContact CD2-CE3 3.66Å; Y102-W162 HydrophobicContact CD2-CE3 3.66Å; Y102-W162 HydrophobicContact CD2-CZ3 4.21Å; Y102-W162 HydrophobicContact CE2-CE3 4.2Å; Y102-W162 HydrophobicContact CE2-CZ3 4.34Å; Y102-W162 HydrophobicContact CG-CE3 4.41Å; Y102-W162 PolarHBondContact N-O 3.29Å; Y102-W162 PolarHBondContact O-N 3.42Å; Y102-P164 HydrophobicContact CD2-CG 4.46Å; Y102-P164 HydrophobicContact CE2-CG 4.24Å
103R97.2Very high95.4Very high61 Ų6130.9 Ų30.923%0.2315%0.151CC..EExtended strand (participates in β ladder)trans-121.1131.7169.4-64.6172.570-147.914.2110.7V75 E76 E159 L160 T161 I205V75-R103 CarbonylContact C-O 3.44Å; V75-R103 WeakPolarHBondContact CA-O 3.35Å; E76-R103 HydrophobicContact CB-CB 4.27Å; E76-R103 PolarHBondContact N-O 3.38Å; E76-R103 PolarHBondContact O-N 3.1Å; E76-R103 IonicContact OE2-CZ 3.41Å; E76-R103 IonicContact OE2-NE 2.87Å; E76-R103 IonicContact OE2-NH1 2.86Å; E76-R103 PolarHBondContact OE2-NH1 3.23Å; R103-E159 IonicContact CZ-OE1 2.69Å; R103-E159 IonicContact NE-OE1 3.62Å; R103-E159 PolarHBondContact NE-OE1 3.01Å; R103-E159 VanDerWaalsContact NH2-CD 3.26Å; R103-E159 IonicContact NH2-OE1 2.68Å; R103-E159 PolarHBondContact NH2-OE1 3.46Å; R103-E159 IonicContact NH2-OE2 2.68Å; R103-E159 PolarHBondContact NH2-OE2 2.89Å; R103-L160 VanDerWaalsContact CA-O 3.31Å; R103-L160 WeakPolarHBondContact CA-O 3.39Å; R103-T161 HydrophobicContact CG-CG2 4.32Å; R103-I205 HydrophobicContact CG-CD1 4.02Å
104W96.7Very high95.5Very high5 Ų536.4 Ų36.42%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-148.2176.8171.470.6100.8000109.8V75 W130 T131 V152 L160 W162V75-W104 HydrophobicContact CG2-CB 4.33Å; W104-W130 AromaticContact CD1-CZ3 3.88Å; W104-W130 HydrophobicContact CG-CZ3 4.38Å; W104-W130 WeakPolarHBondContact CZ2-O 3.44Å; W104-W130 AromaticContact NE1-CE3 3.78Å; W104-W130 AromaticContact NE1-CZ3 3.87Å; W104-T131 HydrophobicContact CH2-CG2 4.35Å; W104-T131 HydrophobicContact CZ2-CG2 4.46Å; W104-V152 HydrophobicContact CH2-CG1 4.36Å; W104-L160 HydrophobicContact CD2-CB 4Å; W104-L160 HydrophobicContact CE3-CB 4.32Å; W104-L160 HydrophobicContact CH2-CB 4.35Å; W104-L160 HydrophobicContact CH2-CD2 4.4Å; W104-L160 HydrophobicContact CZ2-CB 4.02Å; W104-L160 HydrophobicContact CZ2-CD2 3.52Å; W104-L160 HydrophobicContact CZ2-CG 4.43Å; W104-L160 HydrophobicContact CZ3-CB 4.48Å; W104-L160 PolarHBondContact N-O 2.88Å; W104-L160 PolarHBondContact O-N 3.23Å; W104-W162 HydrophobicContact CH2-CB 3.91Å; W104-W162 HydrophobicContact CH2-CE3 4.2Å; W104-W162 HydrophobicContact CZ3-CB 3.75Å; W104-W162 HydrophobicContact CZ3-CE3 4.29Å
105T96.3Very high95.4Very high91 Ų9141.1 Ų41.156%0.55820%0.2SC*.EExtended strand (participates in β ladder)trans-118.8144.217460.60000112G158T105-G158 CarbonylContact C-O 3.51Å; T105-G158 VanDerWaalsContact CA-O 3.23Å; T105-G158 WeakPolarHBondContact CA-O 3.37Å
106D95.8Very high95.3Very high0 Ų041 Ų410%020%0.198CC..  trans-130.5124177.7-171.1-53.1000109.1Y56 P65 I108 L109 G158 L160Y56-D106 WeakPolarHBondContact CE2-OD2 3.45Å; Y56-D106 PolarHBondContact OH-OD2 3.34Å; P65-D106 HydrophobicContact CB-CB 4.21Å; P65-D106 VanDerWaalsContact CB-CG 3.49Å; P65-D106 WeakPolarHBondContact CB-OD2 3.3Å; P65-D106 HydrophobicContact CG-CB 4.38Å; D106-I108 WeakPolarHBondContact OD1-CA 3.3Å; D106-I108 VanDerWaalsContact OD1-CB 3.23Å; D106-I108 WeakPolarHBondContact OD1-CB 3.37Å; D106-I108 PolarHBondContact OD1-N 3.34Å; D106-L109 HydrophobicContact CB-CB 4.42Å; D106-L109 HydrophobicContact CB-CD1 4.14Å; D106-L109 PolarHBondContact OD1-N 3.43Å; D106-G158 PolarHBondContact N-O 3.32Å; D106-G158 WeakPolarHBondContact O-CA 3.47Å; D106-L160 HydrophobicContact CB-CD1 3.62Å; D106-L160 HydrophobicContact CB-CD2 4.36Å
107H93Very high95.1Very high69 Ų6945.5 Ų45.532%0.31923%0.23SC..SBendtrans-83.5-15.8-176.977.3-87.5000113.6P65 V66P65-H107 PolarHBondContact O-CE1 3.04Å; P65-H107 PolarHBondContact O-ND1 2.95Å; V66-H107 PolarHBondContact O-CE1 3.45Å
108I93.8Very high95Very high23 Ų2349.9 Ų49.912%0.11825%0.248CC..SBendtrans-77.8-34.4178.1-50.5173.9000109.4K55 Y56 A59 D106 K110K55-I108 HydrophobicContact CD-CG2 4.2Å; K55-I108 WeakPolarHBondContact CD-O 3.2Å; K55-I108 VanDerWaalsContact CE-O 3.25Å; K55-I108 WeakPolarHBondContact CE-O 3.37Å; K55-I108 HydrophobicContact CG-CG2 4.12Å; K55-I108 PolarHBondContact NZ-O 3.21Å; Y56-I108 HydrophobicContact CD2-CB 3.94Å; Y56-I108 HydrophobicContact CD2-CD1 4.46Å; Y56-I108 HydrophobicContact CD2-CG2 3.69Å; Y56-I108 HydrophobicContact CE2-CB 3.91Å; Y56-I108 HydrophobicContact CE2-CD1 4.08Å; Y56-I108 HydrophobicContact CE2-CG2 4.17Å; Y56-I108 HydrophobicContact CG-CG2 4.48Å; A59-I108 HydrophobicContact CB-CD1 4.06Å; A59-I108 HydrophobicContact CB-CG2 4.38Å; D106-I108 WeakPolarHBondContact OD1-CA 3.3Å; D106-I108 VanDerWaalsContact OD1-CB 3.23Å; D106-I108 WeakPolarHBondContact OD1-CB 3.37Å; D106-I108 PolarHBondContact OD1-N 3.34Å; I108-K110 VanDerWaalsContact C-N 3.35Å; I108-K110 PolarHBondContact O-N 2.97Å
109L95.3Very high94.9Very high0 Ų051.6 Ų51.60%026%0.257CS..SBendtrans-85.16.4-174.4-68.1168.6000115.8L52 Y56 D106 W111 I129 V154 L160L52-L109 HydrophobicContact CB-CD2 4.21Å; Y56-L109 HydrophobicContact CD2-CD1 4.16Å; Y56-L109 HydrophobicContact CD2-CD2 3.62Å; Y56-L109 HydrophobicContact CD2-CG 3.69Å; Y56-L109 HydrophobicContact CE2-CD1 3.8Å; Y56-L109 HydrophobicContact CE2-CD2 4.12Å; Y56-L109 HydrophobicContact CE2-CG 3.68Å; Y56-L109 HydrophobicContact CG-CD2 4.49Å; D106-L109 HydrophobicContact CB-CB 4.42Å; D106-L109 HydrophobicContact CB-CD1 4.14Å; D106-L109 PolarHBondContact OD1-N 3.43Å; L109-W111 VanDerWaalsContact O-CE3 3.26Å; L109-I129 HydrophobicContact CD1-CB 4.45Å; L109-I129 HydrophobicContact CD1-CD1 4.39Å; L109-I129 HydrophobicContact CD1-CG2 4Å; L109-I129 HydrophobicContact CD2-CG2 4.31Å; L109-V154 HydrophobicContact CB-CG1 3.97Å; L109-V154 HydrophobicContact CD1-CG1 4.43Å; L109-L160 HydrophobicContact CD1-CD1 4.09Å; L109-L160 HydrophobicContact CD1-CD2 3.76Å; L109-L160 HydrophobicContact CD1-CG 4.39Å
110K95.4Very high94.9Very high101 Ų10153.5 Ų53.544%0.43927%0.269SS..  trans-73.5144.1178.7-54.2-166.4-174.6-131.80113.4I108 T157I108-K110 VanDerWaalsContact C-N 3.35Å; I108-K110 PolarHBondContact O-N 2.97Å; K110-T157 VanDerWaalsContact CD-O 3.32Å; K110-T157 WeakPolarHBondContact CD-O 3.47Å; K110-T157 WeakPolarHBondContact CE-O 3.41Å; K110-T157 PolarHBondContact NZ-O 3.4Å
111W95.6Very high94.9Very high26 Ų2657.4 Ų57.410%0.09829%0.287CS..  trans-142.7167168.972.595.9000112.1L48 L52 L109 Y116 I119 V122 V154 Q155 H156L48-W111 HydrophobicContact CD1-CB 3.94Å; L48-W111 HydrophobicContact CD1-CD2 3.92Å; L48-W111 HydrophobicContact CD1-CE3 4.38Å; L48-W111 HydrophobicContact CD1-CG 3.69Å; L48-W111 HydrophobicContact CD2-CD2 3.95Å; L48-W111 HydrophobicContact CD2-CG 4.2Å; L48-W111 HydrophobicContact CD2-CZ2 3.98Å; L48-W111 HydrophobicContact CG-CD2 4.46Å; L52-W111 HydrophobicContact CD1-CE3 3.75Å; L52-W111 HydrophobicContact CD1-CZ3 3.9Å; L52-W111 HydrophobicContact CD2-CE3 4.3Å; L109-W111 VanDerWaalsContact O-CE3 3.26Å; W111-Y116 HydrophobicContact CB-CE2 4.43Å; W111-Y116 AromaticContact CD1-CD2 3.93Å; W111-I119 HydrophobicContact CZ2-CG2 4.38Å; W111-I119 PolarHBondContact NE1-O 2.93Å; W111-V122 HydrophobicContact CH2-CB 4.45Å; W111-V122 HydrophobicContact CH2-CG1 4.22Å; W111-V122 HydrophobicContact CH2-CG2 3.75Å; W111-V122 HydrophobicContact CZ2-CG1 4.24Å; W111-V122 HydrophobicContact CZ3-CG2 4.01Å; W111-V154 WeakPolarHBondContact CH2-O 3.45Å; W111-V154 HydrophobicContact CZ3-CG1 4.05Å; W111-Q155 VanDerWaalsContact CH2-C 3.47Å; W111-H156 HydrophobicContact CD2-CB 3.83Å; W111-H156 VanDerWaalsContact CE2-CB 3.4Å; W111-H156 HydrophobicContact CE3-CB 4.35Å; W111-H156 HydrophobicContact CG-CB 4.32Å; W111-H156 HydrophobicContact CH2-CB 4.13Å; W111-H156 VanDerWaalsContact CH2-N 3.31Å; W111-H156 HydrophobicContact CZ2-CB 3.58Å; W111-H156 HydrophobicContact CZ3-CB 4.48Å; W111-H156 PolarHBondContact N-O 2.96Å
112N95.9Very high94.9Very high69 Ų6955.8 Ų55.837%0.36928%0.279SS..  trans-97.2117.8167.7175.4-0.2000109.2E114 N115N112-E114 PolarHBondContact ND2-OE2 3.32Å; N112-E114 PolarHBondContact O-N 3.5Å; N112-E114 WeakPolarHBondContact OD1-CB 3.31Å; N112-E114 VanDerWaalsContact OD1-CG 3.31Å; N112-E114 WeakPolarHBondContact OD1-CG 3.44Å; N112-E114 PolarHBondContact OD1-N 2.71Å; N112-E114 PolarHBondContact OD1-OE2 2.69Å; N112-N115 PolarHBondContact O-N 3.45Å
113P95.2Very high94.9Very high11 Ų1161 Ų617%0.07130%0.299CS..G310 helixtrans-53.2-29.9178.6-29.437.3000115.3N115 Y116 Q118 I119 Q120 H156P113-N115 PolarHBondContact O-N 3.28Å; P113-N115 VanDerWaalsContact O-N 3.1Å; P113-Y116 CarbonylContact O-C 3.42Å; P113-Y116 PolarHBondContact O-N 3.02Å; P113-Q118 WeakPolarHBondContact O-CA 3.14Å; P113-Q118 PolarHBondContact O-N 3.17Å; P113-I119 WeakPolarHBondContact CB-O 3.48Å; P113-Q120 HydrophobicContact CG-CG 4.48Å; P113-H156 HydrophobicContact CG-CB 3.73Å
114E93.7Very high94.8Very high137 Ų13758.1 Ų58.164%0.6429%0.288SS*.G310 helixtrans-57-28.7-179.9-63.3173147.600113.1N112 Y116N112-E114 PolarHBondContact ND2-OE2 3.32Å; N112-E114 PolarHBondContact O-N 3.5Å; N112-E114 WeakPolarHBondContact OD1-CB 3.31Å; N112-E114 VanDerWaalsContact OD1-CG 3.31Å; N112-E114 WeakPolarHBondContact OD1-CG 3.44Å; N112-E114 PolarHBondContact OD1-N 2.71Å; N112-E114 PolarHBondContact OD1-OE2 2.69Å; E114-Y116 VanDerWaalsContact C-N 3.34Å
115N92.6Very high94.7Very high98 Ų9860 Ų6052%0.52430%0.3SS..G310 helixtrans-85.5-2.8-179-65.5-83.5000114.1R47 N112 P113R47-N115 PolarHBondContact NH2-O 3.38Å; N112-N115 PolarHBondContact O-N 3.45Å; P113-N115 PolarHBondContact O-N 3.28Å; P113-N115 VanDerWaalsContact O-N 3.1Å
116Y93Very high94.6Very high14 Ų1458 Ų586%0.05528%0.283CS..THydrogen-bonded Turntrans-145.758.1-173.3-54.9-84.7000110.9D44 L48 R51 W111 P113 E114 Q118 I119D44-Y116 WeakPolarHBondContact OD2-CA 3.4Å; L48-Y116 HydrophobicContact CB-CD1 3.64Å; L48-Y116 HydrophobicContact CB-CE1 3.94Å; L48-Y116 HydrophobicContact CB-CG 4.02Å; L48-Y116 HydrophobicContact CD1-CD1 4.29Å; L48-Y116 HydrophobicContact CD1-CD2 3.91Å; L48-Y116 HydrophobicContact CD1-CE1 4.18Å; L48-Y116 HydrophobicContact CD1-CE2 3.8Å; L48-Y116 HydrophobicContact CD1-CG 4.15Å; L48-Y116 HydrophobicContact CD2-CD2 4.46Å; L48-Y116 HydrophobicContact CD2-CG 4.23Å; L48-Y116 HydrophobicContact CG-CD1 4.41Å; L48-Y116 HydrophobicContact CG-CG 4.36Å; R51-Y116 WeakPolarHBondContact CD-OH 3.15Å; R51-Y116 PolarHBondContact NH1-OH 2.98Å; W111-Y116 HydrophobicContact CB-CE2 4.43Å; W111-Y116 AromaticContact CD1-CD2 3.93Å; P113-Y116 CarbonylContact O-C 3.42Å; P113-Y116 PolarHBondContact O-N 3.02Å; E114-Y116 VanDerWaalsContact C-N 3.34Å; Y116-Q118 PolarHBondContact O-N 3.31Å; Y116-I119 WeakPolarHBondContact O-CB 3.41Å; Y116-I119 WeakPolarHBondContact O-CD1 3.24Å; Y116-I119 WeakPolarHBondContact O-CG1 3.3Å; Y116-I119 PolarHBondContact O-N 3.05Å
117S91.8Very high94.4Very high95 Ų9565.2 Ų65.266%0.66431%0.31SS*.THydrogen-bonded Turntrans47.337.3176.6-57.20000115.5D44 I119D44-S117 PolarHBondContact OD2-N 3.25Å; D44-S117 PolarHBondContact OD2-OG 3.49Å; S117-I119 VanDerWaalsContact C-N 3.28Å; S117-I119 PolarHBondContact O-N 3.33Å
118Q93.5Very high94.5Very high115 Ų11566.5 Ų66.554%0.53732%0.316SS..THydrogen-bonded Turntrans61.325.8-178.2-58.9-65.1-11.400115.4P113 Y116 Q120P113-Q118 WeakPolarHBondContact O-CA 3.14Å; P113-Q118 PolarHBondContact O-N 3.17Å; Y116-Q118 PolarHBondContact O-N 3.31Å; Q118-Q120 PolarHBondContact O-N 3.09Å
119I94.7Very high94.5Very high37 Ų3765.7 Ų65.719%0.1931%0.312CS..  trans-64.2117.6173.2-67.2165.5000110.1D44 E45 L48 W111 P113 Y116 S117 E121 V122D44-I119 HydrophobicContact CB-CD1 4.26Å; E45-I119 HydrophobicContact CB-CD1 3.71Å; E45-I119 HydrophobicContact CG-CD1 4.35Å; L48-I119 HydrophobicContact CD2-CB 4.39Å; L48-I119 HydrophobicContact CD2-CG2 3.94Å; W111-I119 HydrophobicContact CZ2-CG2 4.38Å; W111-I119 PolarHBondContact NE1-O 2.93Å; P113-I119 WeakPolarHBondContact CB-O 3.48Å; Y116-I119 WeakPolarHBondContact O-CB 3.41Å; Y116-I119 WeakPolarHBondContact O-CD1 3.24Å; Y116-I119 WeakPolarHBondContact O-CG1 3.3Å; Y116-I119 PolarHBondContact O-N 3.05Å; S117-I119 VanDerWaalsContact C-N 3.28Å; S117-I119 PolarHBondContact O-N 3.33Å; I119-E121 WeakPolarHBondContact CG2-O 3.34Å; I119-V122 HydrophobicContact CG2-CG1 3.73Å
120Q95.2Very high94.5Very high129 Ų12966.4 Ų66.460%0.60332%0.315SS*.  trans-99.2-27.3-178.5-67.8178.6300113.9P113 Q118 Q155 H156P113-Q120 HydrophobicContact CG-CG 4.48Å; Q118-Q120 PolarHBondContact O-N 3.09Å; Q120-Q155 CarbonylContact O-C 3.52Å; Q120-Q155 WeakPolarHBondContact O-CA 3.46Å; Q120-H156 PolarHBondContact O-N 3.26Å
121E96.2Very high94.5Very high84 Ų8463.5 Ų63.539%0.39331%0.305SS..EExtended strand (participates in β ladder)trans-129.2150.6175.455.6153.1-13400111.4I119 R123 I153 V154I119-E121 WeakPolarHBondContact CG2-O 3.34Å; E121-R123 IonicContact OE1-CZ 3.57Å; E121-R123 IonicContact OE1-NH1 3.7Å; E121-R123 PolarHBondContact OE1-NH1 3.49Å; E121-R123 IonicContact OE1-NH2 3.86Å; E121-R123 PolarHBondContact OE1-NH2 3.19Å; E121-R123 IonicContact OE2-NH2 2.77Å; E121-I153 HydrophobicContact CB-CG2 4.4Å; E121-V154 CarbonylContact C-O 3.57Å; E121-V154 VanDerWaalsContact CA-O 3.28Å; E121-V154 WeakPolarHBondContact CA-O 3.19Å
122V96.3Very high94.5Very high0 Ų062.8 Ų62.80%030%0.304CS..EExtended strand (participates in β ladder)trans-138154.6168.8-64.10000110.9E45 L48 I49 L52 W111 I119 V124 V154E45-V122 HydrophobicContact CG-CG1 4.21Å; L48-V122 HydrophobicContact CD2-CG1 3.63Å; L48-V122 HydrophobicContact CG-CG1 4.27Å; I49-V122 HydrophobicContact CD1-CB 4.17Å; I49-V122 HydrophobicContact CD1-CG1 4.46Å; I49-V122 HydrophobicContact CG1-CB 3.95Å; I49-V122 HydrophobicContact CG1-CG1 4.1Å; I49-V122 HydrophobicContact CG1-CG2 4.32Å; L52-V122 HydrophobicContact CD1-CG2 4.06Å; W111-V122 HydrophobicContact CH2-CB 4.45Å; W111-V122 HydrophobicContact CH2-CG1 4.22Å; W111-V122 HydrophobicContact CH2-CG2 3.75Å; W111-V122 HydrophobicContact CZ2-CG1 4.24Å; W111-V122 HydrophobicContact CZ3-CG2 4.01Å; I119-V122 HydrophobicContact CG2-CG1 3.73Å; V122-V124 HydrophobicContact CG2-CG2 4.02Å; V122-V154 HydrophobicContact CG2-CB 4.04Å; V122-V154 PolarHBondContact N-O 2.88Å; V122-V154 PolarHBondContact O-N 3.08Å
123R96.2Very high94.3Very high117 Ų11761.3 Ų61.344%0.44230%0.296SS..EExtended strand (participates in β ladder)trans-104.2119.7178.8-69.3169.5-179.268.815.7110.3E121 M151 V152E121-R123 IonicContact OE1-CZ 3.57Å; E121-R123 IonicContact OE1-NH1 3.7Å; E121-R123 PolarHBondContact OE1-NH1 3.49Å; E121-R123 IonicContact OE1-NH2 3.86Å; E121-R123 PolarHBondContact OE1-NH2 3.19Å; E121-R123 IonicContact OE2-NH2 2.77Å; R123-M151 HydrophobicContact CB-CE 4.15Å; R123-M151 WeakPolarHBondContact O-CE 3.33Å; R123-V152 WeakPolarHBondContact CA-O 3.31Å
124V95Very high94.3Very high0 Ų061.6 Ų61.60%030%0.297CS..EExtended strand (participates in β ladder)trans-119.8137.3-173.2-177.60000110.7L53 V122 Y126 I129 V152 V154L53-V124 HydrophobicContact CD2-CG1 3.68Å; L53-V124 HydrophobicContact CG-CG1 4.47Å; V122-V124 HydrophobicContact CG2-CG2 4.02Å; V124-Y126 PolarHBondContact O-N 3.46Å; V124-I129 HydrophobicContact CG1-CD1 4.45Å; V124-I129 HydrophobicContact CG1-CG2 4.07Å; V124-V152 PolarHBondContact N-O 2.89Å; V124-V152 PolarHBondContact O-N 3.42Å; V124-V154 HydrophobicContact CB-CG2 4.02Å; V124-V154 HydrophobicContact CG2-CG2 3.66Å
125P95Very high94.3Very high44 Ų4457.4 Ų57.429%0.28628%0.281SS..EExtended strand (participates in β ladder)trans-72.3123.2177.8-8.823.5000110.6R127 H128 M151P125-R127 PolarHBondContact O-N 3.44Å; P125-H128 PolarHBondContact O-N 2.99Å; P125-H128 VanDerWaalsContact O-N 3.07Å; P125-M151 HydrophobicContact CB-CE 4.44Å; P125-M151 HydrophobicContact CB-SD 3.89Å; P125-M151 HydrophobicContact CG-CE 3.93Å; P125-M151 HydrophobicContact CG-SD 3.99Å
126Y92.7Very high94.4Very high48 Ų4852.9 Ų52.919%0.18826%0.256CS..G310 helixtrans-50.3-32.8-171.681.1-83000114.4V124 H128 I129 T131 D149 A150 W162V124-Y126 PolarHBondContact O-N 3.46Å; Y126-H128 PolarHBondContact O-N 3.26Å; Y126-H128 VanDerWaalsContact O-N 3.1Å; Y126-I129 WeakPolarHBondContact O-CG1 3.35Å; Y126-I129 PolarHBondContact O-N 3.04Å; Y126-T131 HydrophobicContact CD2-CG2 4.4Å; Y126-D149 HydrophobicContact CE1-CB 4.41Å; Y126-D149 WeakPolarHBondContact CE1-OD1 3.44Å; Y126-D149 PolarHBondContact OH-OD1 3.06Å; Y126-D149 VanDerWaalsContact OH-OD1 3.1Å; Y126-A150 WeakPolarHBondContact CD1-O 3.41Å; Y126-W162 HydrophobicContact CD2-CH2 4.39Å; Y126-W162 AromaticContact CD2-CZ2 3.83Å; Y126-W162 HydrophobicContact CD2-CZ2 3.83Å; Y126-W162 HydrophobicContact CE2-CZ2 4.48Å; Y126-W162 AromaticContact CG-CZ2 4Å; Y126-W162 HydrophobicContact CG-CZ2 4Å
127R92.9Very high94.4Very high153 Ų15354.7 Ų54.758%0.57726%0.263SS*.G310 helixtrans-63.5-11.6-179.4-59.2-177.1-177.1157.13.1115.8P125 D149P125-R127 PolarHBondContact O-N 3.44Å; R127-D149 IonicContact CZ-OD1 2.63Å; R127-D149 IonicContact CZ-OD2 3.78Å; R127-D149 IonicContact NE-OD1 3.45Å; R127-D149 IonicContact NH2-OD1 3.21Å; R127-D149 PolarHBondContact NH2-OD1 3.26Å; R127-D149 IonicContact NH2-OD2 2.73Å; R127-D149 PolarHBondContact NH2-OD2 2.97Å
128H93.9Very high94.6Very high95 Ų9551.4 Ų51.444%0.4424%0.238SC..G310 helixtrans-1061.8-177.8-58.490.4000113.9L53 P125 Y126L53-H128 HydrophobicContact CD2-CB 3.62Å; P125-H128 PolarHBondContact O-N 2.99Å; P125-H128 VanDerWaalsContact O-N 3.07Å; Y126-H128 PolarHBondContact O-N 3.26Å; Y126-H128 VanDerWaalsContact O-N 3.1Å
129I95Very high94.5Very high6 Ų651 Ų513%0.03123%0.233CC..SBendtrans-133.5167.2-178.858.7173000109.9L53 Y56 L109 V124 Y126 V152 L160L53-I129 HydrophobicContact CD2-CG2 4.36Å; Y56-I129 HydrophobicContact CD1-CB 4.41Å; Y56-I129 HydrophobicContact CD1-CG2 4.19Å; Y56-I129 HydrophobicContact CD2-CG2 4.27Å; Y56-I129 HydrophobicContact CE1-CB 4.06Å; Y56-I129 HydrophobicContact CE1-CG2 4.29Å; Y56-I129 HydrophobicContact CE2-CG2 4.36Å; Y56-I129 HydrophobicContact CG-CG2 4.17Å; L109-I129 HydrophobicContact CD1-CB 4.45Å; L109-I129 HydrophobicContact CD1-CD1 4.39Å; L109-I129 HydrophobicContact CD1-CG2 4Å; L109-I129 HydrophobicContact CD2-CG2 4.31Å; V124-I129 HydrophobicContact CG1-CD1 4.45Å; V124-I129 HydrophobicContact CG1-CG2 4.07Å; Y126-I129 WeakPolarHBondContact O-CG1 3.35Å; Y126-I129 PolarHBondContact O-N 3.04Å; I129-V152 HydrophobicContact CD1-CB 4.06Å; I129-V152 HydrophobicContact CD1-CG1 4.14Å; I129-V152 HydrophobicContact CD1-CG2 4.02Å; I129-L160 HydrophobicContact CD1-CD2 3.82Å
130W95.6Very high94.3Very high16 Ų1651.5 Ų51.56%0.06124%0.242CC..  trans-71.3137.6172.2179.785.4000110.7Y56 G63 R64 P65 V73 W104 P132 Y195 L200Y56-W130 WeakPolarHBondContact OH-CB 3.29Å; Y56-W130 PolarHBondContact OH-N 3.27Å; Y56-W130 VanDerWaalsContact OH-N 3.15Å; G63-W130 VanDerWaalsContact O-CG 3.26Å; R64-W130 HydrophobicContact CG-CZ2 4.24Å; P65-W130 VanDerWaalsContact CD-CE3 3.47Å; P65-W130 HydrophobicContact CG-CD2 4.41Å; P65-W130 HydrophobicContact CG-CE3 3.86Å; P65-W130 HydrophobicContact CG-CZ3 4.28Å; V73-W130 HydrophobicContact CB-CH2 4.4Å; V73-W130 HydrophobicContact CG1-CH2 3.92Å; V73-W130 HydrophobicContact CG1-CZ3 4Å; V73-W130 HydrophobicContact CG2-CH2 4.45Å; W104-W130 AromaticContact CD1-CZ3 3.88Å; W104-W130 HydrophobicContact CG-CZ3 4.38Å; W104-W130 WeakPolarHBondContact CZ2-O 3.44Å; W104-W130 AromaticContact NE1-CE3 3.78Å; W104-W130 AromaticContact NE1-CZ3 3.87Å; W130-P132 HydrophobicContact CH2-CB 3.83Å; W130-P132 HydrophobicContact CZ2-CB 4.33Å; W130-P132 HydrophobicContact CZ3-CB 4.3Å; W130-Y195 HydrophobicContact CZ2-CE2 4.08Å; W130-L200 HydrophobicContact CH2-CD1 4.01Å; W130-L200 HydrophobicContact CZ2-CD1 4.1Å
131T94.4Very high93.6Very high40 Ų4047.5 Ų47.525%0.24523%0.225CC..  trans-128.5144.3170.655.40000109.4W104 Y126 W162W104-T131 HydrophobicContact CH2-CG2 4.35Å; W104-T131 HydrophobicContact CZ2-CG2 4.46Å; Y126-T131 HydrophobicContact CD2-CG2 4.4Å; T131-W162 HydrophobicContact CG2-CE3 4.28Å; T131-W162 HydrophobicContact CG2-CH2 4.04Å; T131-W162 HydrophobicContact CG2-CZ2 4.43Å; T131-W162 HydrophobicContact CG2-CZ3 3.98Å
132P95.1Very high92.5Very high10 Ų1051.6 Ų51.67%0.06524%0.244CC..  trans-66.2145.817928.8-35.8000112.1V75 W130 I134 L200V75-P132 HydrophobicContact CG1-CB 4.41Å; V75-P132 HydrophobicContact CG1-CG 4.06Å; V75-P132 HydrophobicContact CG2-CB 4.04Å; V75-P132 HydrophobicContact CG2-CG 4.36Å; W130-P132 HydrophobicContact CH2-CB 3.83Å; W130-P132 HydrophobicContact CZ2-CB 4.33Å; W130-P132 HydrophobicContact CZ3-CB 4.3Å; P132-I134 HydrophobicContact CB-CD1 4.37Å; P132-I134 HydrophobicContact CB-CG1 4.3Å; P132-I134 PolarHBondContact O-N 3.29Å; P132-I134 VanDerWaalsContact O-N 3.13Å; P132-L200 HydrophobicContact CB-CD1 3.99Å
133D93Very high91.3Very high39 Ų3962.5 Ų62.521%0.20929%0.285CS..  trans-87.343.9-178.568.2-32.1000112.4V135 S192 W193 T194 Y195D133-V135 PolarHBondContact O-N 3.26Å; D133-S192 VanDerWaalsContact CG-OG 3.24Å; D133-S192 WeakPolarHBondContact OD1-CB 3.29Å; D133-S192 PolarHBondContact OD1-OG 3.24Å; D133-S192 PolarHBondContact OD2-OG 3.19Å; D133-W193 PolarHBondContact O-N 3.33Å; D133-W193 VanDerWaalsContact O-N 3.17Å; D133-W193 PolarHBondContact OD2-N 3.25Å; D133-T194 WeakPolarHBondContact OD2-CB 3.32Å; D133-T194 PolarHBondContact OD2-N 2.74Å; D133-T194 PolarHBondContact OD2-OG1 2.71Å; D133-Y195 VanDerWaalsContact OD1-CD2 3.3Å; D133-Y195 WeakPolarHBondContact OD1-CD2 3.48Å
134I94.5Very high90Very high17 Ų1760.4 Ų60.49%0.08728%0.282CS..EExtended strand (participates in β ladder)trans-76.3119.4179.2-66.6173.4000109.6V75 M77 Y102 P132 F190 G191 V202V75-I134 HydrophobicContact CB-CD1 4.37Å; V75-I134 HydrophobicContact CG1-CD1 3.76Å; M77-I134 HydrophobicContact SD-CG2 4.1Å; Y102-I134 HydrophobicContact CD1-CD1 4.1Å; Y102-I134 HydrophobicContact CE1-CB 4.03Å; Y102-I134 HydrophobicContact CE1-CD1 3.79Å; Y102-I134 HydrophobicContact CE1-CG1 4.49Å; Y102-I134 HydrophobicContact CE1-CG2 4.03Å; P132-I134 HydrophobicContact CB-CD1 4.37Å; P132-I134 HydrophobicContact CB-CG1 4.3Å; P132-I134 PolarHBondContact O-N 3.29Å; P132-I134 VanDerWaalsContact O-N 3.13Å; I134-F190 HydrophobicContact CG2-CB 3.88Å; I134-F190 HydrophobicContact CG2-CD1 4.29Å; I134-G191 WeakPolarHBondContact CA-O 3.35Å; I134-V202 HydrophobicContact CD1-CG1 4.06Å; I134-V202 HydrophobicContact CD1-CG2 4.08Å
135V93.6Very high89.1Confident49 Ų4969 Ų6930%0.29732%0.32SS..EExtended strand (participates in β ladder)trans-125.9155.7-177.6-60.80000111.4D133 Y137 F190 G191 W193D133-V135 PolarHBondContact O-N 3.26Å; V135-Y137 HydrophobicContact CG2-CD1 4.04Å; V135-Y137 HydrophobicContact CG2-CE1 3.98Å; V135-Y137 WeakPolarHBondContact O-CD1 3.41Å; V135-F190 WeakPolarHBondContact O-CA 3.44Å; V135-G191 PolarHBondContact N-O 3.05Å; V135-G191 PolarHBondContact O-N 3.25Å; V135-W193 HydrophobicContact CG2-CB 3.88Å; V135-W193 HydrophobicContact CG2-CD2 4.15Å; V135-W193 HydrophobicContact CG2-CE3 3.61Å; V135-W193 HydrophobicContact CG2-CG 4.31Å; V135-W193 HydrophobicContact CG2-CZ3 4.47Å
136L94.9Very high88.3Confident2 Ų269.3 Ų69.31%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-74.1126169.9-178.271.8000109.3N138 Y139 F168 L188 K189 F190L136-N138 WeakPolarHBondContact CD1-OD1 3.24Å; L136-Y139 WeakPolarHBondContact O-CD1 3.36Å; L136-F168 HydrophobicContact CB-CD1 3.95Å; L136-F168 HydrophobicContact CB-CE1 3.9Å; L136-F168 HydrophobicContact CD2-CB 4.17Å; L136-F168 HydrophobicContact CD2-CD1 3.64Å; L136-F168 HydrophobicContact CD2-CE1 4.44Å; L136-F168 HydrophobicContact CD2-CG 4.21Å; L136-F168 HydrophobicContact CG-CD1 4.31Å; L136-L188 HydrophobicContact CD1-CB 4.1Å; L136-L188 HydrophobicContact CD1-CD2 3.85Å; L136-L188 HydrophobicContact CD2-CD2 4.35Å; L136-K189 CarbonylContact C-O 3.57Å; L136-K189 WeakPolarHBondContact CA-O 3.08Å; L136-F190 HydrophobicContact CB-CD1 4.3Å; L136-F190 HydrophobicContact CB-CE1 3.92Å; L136-F190 HydrophobicContact CD1-CD1 4.47Å; L136-F190 HydrophobicContact CD1-CE1 4.04Å; L136-F190 HydrophobicContact CD1-CE2 4.28Å; L136-F190 HydrophobicContact CD1-CZ 3.95Å
137Y93.6Very high88Confident53 Ų5370 Ų7021%0.20832%0.323CS..THydrogen-bonded Turntrans-84.2-26.5-178.5-7417.1000112.9V135 K189 G191 S192 W193V135-Y137 HydrophobicContact CG2-CD1 4.04Å; V135-Y137 HydrophobicContact CG2-CE1 3.98Å; V135-Y137 WeakPolarHBondContact O-CD1 3.41Å; Y137-K189 HydrophobicContact CD2-CD 3.97Å; Y137-K189 VanDerWaalsContact CD2-CE 3.45Å; Y137-K189 HydrophobicContact CD2-CG 4.24Å; Y137-K189 HydrophobicContact CG-CD 4.37Å; Y137-K189 HydrophobicContact CG-CG 4.3Å; Y137-K189 PolarHBondContact N-O 2.91Å; Y137-G191 WeakPolarHBondContact CE1-O 3.14Å; Y137-G191 WeakPolarHBondContact OH-CA 3.34Å; Y137-S192 PolarHBondContact OH-O 3.11Å; Y137-W193 HydrophobicContact CD1-CE3 4.45Å; Y137-W193 HydrophobicContact CE1-CE3 4.27Å
138N94.6Very high87.8Confident25 Ų2568 Ų6813%0.13432%0.316CS..THydrogen-bonded Turntrans-10639.4-179.768-55.5000112.5L136 S170 S171 H187 K189L136-N138 WeakPolarHBondContact CD1-OD1 3.24Å; N138-S170 CarbonylContact O-C 3.5Å; N138-S170 VanDerWaalsContact O-CA 3.26Å; N138-S170 WeakPolarHBondContact O-CA 3.39Å; N138-S171 PolarHBondContact ND2-O 3.21Å; N138-S171 PolarHBondContact O-N 3.24Å; N138-H187 PolarHBondContact ND2-O 3.06Å; N138-K189 PolarHBondContact OD1-N 3.33Å
139Y92.1Very high87.6Confident107 Ų10768.6 Ų68.642%0.4232%0.322SS..BIsolated β-bridgetrans-62.6155.6171.768.4-90.4000111.9L136 E142 K169L136-Y139 WeakPolarHBondContact O-CD1 3.36Å; Y139-E142 HydrophobicContact CD2-CG 4.45Å; Y139-E142 HydrophobicContact CE2-CG 3.77Å; Y139-K169 CarbonylContact C-O 3.5Å; Y139-K169 WeakPolarHBondContact CA-O 3.33Å
140A89.8Confident87.5Confident48 Ų4869.3 Ų69.340%0.39733%0.329SS..  trans-126.2-6.7-177.300000115V93 K169V93-A140 HydrophobicContact CG1-CB 4.04Å; V93-A140 HydrophobicContact CG2-CB 3.73Å; A140-K169 PolarHBondContact N-O 2.78Å
141D81Confident87.5Confident44 Ų4473.1 Ų73.124%0.23535%0.348CS..  trans-147.194.5-175-172.9-3000111.6R143 L144 K169D141-R143 PolarHBondContact O-N 3.35Å; D141-R143 WeakPolarHBondContact OD1-CB 3.42Å; D141-R143 PolarHBondContact OD1-N 2.75Å; D141-L144 PolarHBondContact O-N 3.1Å; D141-K169 HydrophobicContact CB-CB 4.3Å; D141-K169 HydrophobicContact CB-CD 3.64Å; D141-K169 IonicContact OD2-NZ 3.23Å; D141-K169 PolarHBondContact OD2-NZ 2.89Å
142E73.6Confident87.6Confident170 Ų17071.2 Ų71.279%0.79434%0.337SS*.THydrogen-bonded Turntrans-57.5-17.1179.3-66.6173.5-165.300114.2Y139 L144Y139-E142 HydrophobicContact CD2-CG 4.45Å; Y139-E142 HydrophobicContact CE2-CG 3.77Å; E142-L144 VanDerWaalsContact C-N 3.35Å
143R71.7Confident87.7Confident230 Ų23073.3 Ų73.387%0.86835%0.347SS*.THydrogen-bonded Turntrans-81.5-15.3-171.1-57.6175.959.8-171.3-3.6113.4D141D141-R143 PolarHBondContact O-N 3.35Å; D141-R143 WeakPolarHBondContact OD1-CB 3.42Å; D141-R143 PolarHBondContact OD1-N 2.75Å
144L68.5Low87.9Confident72 Ų7271.4 Ų71.438%0.37734%0.337SS..SBendtrans-94.7125.8-177.7-67.8177.2000110.7D141 E142 E146 K169D141-L144 PolarHBondContact O-N 3.1Å; E142-L144 VanDerWaalsContact C-N 3.35Å; L144-E146 PolarHBondContact O-N 3.5Å; L144-K169 HydrophobicContact CD1-CD 3.73Å; L144-K169 HydrophobicContact CD1-CG 4.12Å
145K75.2Confident88.1Confident182 Ų18273.5 Ų73.579%0.79135%0.346SS*.  trans-65.1103.6154.6-70.3-175.9177.6-178.10106.8M147 R148K145-M147 VanDerWaalsContact C-N 3.34Å; K145-M147 PolarHBondContact O-N 3.33Å; K145-R148 PolarHBondContact O-NH1 3.01Å
146E79.5Confident88.2Confident49 Ų4974 Ų7423%0.22935%0.345CS..  trans-59.1-48.5-176.6-54.9179.9122.900110.4L144 A166 I167 F168L144-E146 PolarHBondContact O-N 3.5Å; E146-A166 CarbonylContact O-C 3.57Å; E146-A166 VanDerWaalsContact O-CA 3.26Å; E146-A166 WeakPolarHBondContact O-CA 3.27Å; E146-I167 PolarHBondContact O-N 3.23Å; E146-F168 HydrophobicContact CB-CD1 3.99Å; E146-F168 HydrophobicContact CB-CE1 3.75Å; E146-F168 HydrophobicContact CB-CZ 4.41Å; E146-F168 VanDerWaalsContact CD-CE1 3.45Å; E146-F168 HydrophobicContact CG-CD1 4.13Å; E146-F168 HydrophobicContact CG-CE1 4.13Å; E146-F168 VanDerWaalsContact OE1-CD1 3.29Å; E146-F168 WeakPolarHBondContact OE1-CD1 3.45Å; E146-F168 WeakPolarHBondContact OE2-CE1 3.23Å
147M85.3Confident88.3Confident63 Ų6376.7 Ų76.731%0.3136%0.362SS..BIsolated β-bridgetrans-90.1156.7-175.4-162.8174.966.300113K145 W162 P164K145-M147 VanDerWaalsContact C-N 3.34Å; K145-M147 PolarHBondContact O-N 3.33Å; M147-W162 HydrophobicContact CE-CH2 3.6Å; M147-W162 HydrophobicContact CE-CZ2 3.6Å; M147-W162 HydrophobicContact SD-CH2 3.78Å; M147-W162 HydrophobicContact SD-CZ2 3.84Å; M147-P164 HydrophobicContact CG-CB 3.55Å; M147-P164 HydrophobicContact CG-CG 3.94Å; M147-P164 HydrophobicContact SD-CB 3.73Å; M147-P164 HydrophobicContact SD-CG 3.55Å; M147-P164 VanDerWaalsContact SD-CG 3.55Å
148R88.7Confident88.4Confident112 Ų11274.1 Ų74.142%0.42335%0.352SS..  trans-109158.5170.6-62.1-70.6166.6-82.6-2.3111.3K145 A150 P165K145-R148 PolarHBondContact O-NH1 3.01Å; R148-A150 PolarHBondContact O-N 2.88Å; R148-P165 HydrophobicContact CB-CG 4.03Å; R148-P165 HydrophobicContact CG-CG 4.46Å; R148-P165 PolarHBondContact N-O 2.94Å
149D89Confident88.5Confident106 Ų10674.9 Ų74.957%0.56735%0.354SS*.  trans-63.7125.9175.5-72.2-24.7000110.6Y126 R127Y126-D149 HydrophobicContact CE1-CB 4.41Å; Y126-D149 WeakPolarHBondContact CE1-OD1 3.44Å; Y126-D149 PolarHBondContact OH-OD1 3.06Å; Y126-D149 VanDerWaalsContact OH-OD1 3.1Å; R127-D149 IonicContact CZ-OD1 2.63Å; R127-D149 IonicContact CZ-OD2 3.78Å; R127-D149 IonicContact NE-OD1 3.45Å; R127-D149 IonicContact NH2-OD1 3.21Å; R127-D149 PolarHBondContact NH2-OD1 3.26Å; R127-D149 IonicContact NH2-OD2 2.73Å; R127-D149 PolarHBondContact NH2-OD2 2.97Å
150A93.2Very high88.7Confident22 Ų2269.8 Ų69.818%0.18233%0.334CS..  trans-139.7147.917500000110.8Y126 R148 P164Y126-A150 WeakPolarHBondContact CD1-O 3.41Å; R148-A150 PolarHBondContact O-N 2.88Å; A150-P164 HydrophobicContact CB-CB 4.01Å
151M96.2Very high89.1Confident95 Ų9568.5 Ų68.547%0.46832%0.322SS..EExtended strand (participates in β ladder)trans-75148.4172.6-62.7-70.1-77.700110.1R123 P125R123-M151 HydrophobicContact CB-CE 4.15Å; R123-M151 WeakPolarHBondContact O-CE 3.33Å; P125-M151 HydrophobicContact CB-CE 4.44Å; P125-M151 HydrophobicContact CB-SD 3.89Å; P125-M151 HydrophobicContact CG-CE 3.93Å; P125-M151 HydrophobicContact CG-SD 3.99Å
152V97Very high89.8Confident0 Ų066.8 Ų66.80%031%0.312CS..EExtended strand (participates in β ladder)trans-92.8133.2171.8-176.20000108.6W104 R123 V124 I129 V154 L160 W162W104-V152 HydrophobicContact CH2-CG1 4.36Å; R123-V152 WeakPolarHBondContact CA-O 3.31Å; V124-V152 PolarHBondContact N-O 2.89Å; V124-V152 PolarHBondContact O-N 3.42Å; I129-V152 HydrophobicContact CD1-CB 4.06Å; I129-V152 HydrophobicContact CD1-CG1 4.14Å; I129-V152 HydrophobicContact CD1-CG2 4.02Å; V152-V154 HydrophobicContact CG1-CG2 4.3Å; V152-L160 HydrophobicContact CG1-CB 4.14Å; V152-L160 HydrophobicContact CG1-CD2 4.12Å; V152-L160 HydrophobicContact CG1-CG 4.19Å; V152-W162 HydrophobicContact CG1-CB 4.3Å; V152-W162 HydrophobicContact CG2-CB 4.08Å; V152-W162 HydrophobicContact CG2-CD2 4.43Å; V152-W162 HydrophobicContact CG2-CG 3.8Å
153I97.4Very high90.9Very high54 Ų5462 Ų6228%0.27729%0.291SS..EExtended strand (participates in β ladder)trans-86.4122.7170.2-58.2170.9000106.8E121 L160 T161E121-I153 HydrophobicContact CB-CG2 4.4Å; I153-L160 WeakPolarHBondContact O-CA 3.31Å; I153-T161 PolarHBondContact N-O 3.41Å; I153-T161 PolarHBondContact O-N 3.43Å
154V97.4Very high92Very high0 Ų051 Ų510%025%0.249CC..EExtended strand (participates in β ladder)trans-113.9125.8179.2-170.20000107.9L109 W111 E121 V122 V124 V152 L160L109-V154 HydrophobicContact CB-CG1 3.97Å; L109-V154 HydrophobicContact CD1-CG1 4.43Å; W111-V154 WeakPolarHBondContact CH2-O 3.45Å; W111-V154 HydrophobicContact CZ3-CG1 4.05Å; E121-V154 CarbonylContact C-O 3.57Å; E121-V154 VanDerWaalsContact CA-O 3.28Å; E121-V154 WeakPolarHBondContact CA-O 3.19Å; V122-V154 HydrophobicContact CG2-CB 4.04Å; V122-V154 PolarHBondContact N-O 2.88Å; V122-V154 PolarHBondContact O-N 3.08Å; V124-V154 HydrophobicContact CB-CG2 4.02Å; V124-V154 HydrophobicContact CG2-CG2 3.66Å; V152-V154 HydrophobicContact CG1-CG2 4.3Å; V154-L160 HydrophobicContact CG1-CD1 3.96Å; V154-L160 HydrophobicContact CG1-CG 4.23Å; V154-L160 HydrophobicContact CG2-CG 4.21Å
155Q97.4Very high93.3Very high60 Ų6049.3 Ų49.328%0.2824%0.243SC..EExtended strand (participates in β ladder)trans-90.3153.5173.1-61-179.833.300111.1W111 Q120 T157 G158 E159W111-Q155 VanDerWaalsContact CH2-C 3.47Å; Q120-Q155 CarbonylContact O-C 3.52Å; Q120-Q155 WeakPolarHBondContact O-CA 3.46Å; Q155-T157 VanDerWaalsContact CB-OG1 3.31Å; Q155-T157 WeakPolarHBondContact CB-OG1 3.44Å; Q155-T157 PolarHBondContact O-N 3.43Å; Q155-T157 VanDerWaalsContact O-N 3.11Å; Q155-T157 PolarHBondContact OE1-OG1 3.35Å; Q155-G158 PolarHBondContact O-N 3.18Å; Q155-E159 HydrophobicContact CB-CB 4.31Å; Q155-E159 HydrophobicContact CG-CB 4.37Å; Q155-E159 PolarHBondContact N-O 2.95Å; Q155-E159 PolarHBondContact NE2-OE1 2.95Å
156H96.9Very high94.2Very high60 Ų6040.7 Ų40.728%0.27821%0.206SC..THydrogen-bonded Turntrans-58.5-27.4177.776.993.5000113.5W111 P113 Q120 G158W111-H156 HydrophobicContact CD2-CB 3.83Å; W111-H156 VanDerWaalsContact CE2-CB 3.4Å; W111-H156 HydrophobicContact CE3-CB 4.35Å; W111-H156 HydrophobicContact CG-CB 4.32Å; W111-H156 HydrophobicContact CH2-CB 4.13Å; W111-H156 VanDerWaalsContact CH2-N 3.31Å; W111-H156 HydrophobicContact CZ2-CB 3.58Å; W111-H156 HydrophobicContact CZ3-CB 4.48Å; W111-H156 PolarHBondContact N-O 2.96Å; P113-H156 HydrophobicContact CG-CB 3.73Å; Q120-H156 PolarHBondContact O-N 3.26Å; H156-G158 PolarHBondContact O-N 3Å
157T96.1Very high94.9Very high58 Ų5841 Ų4136%0.35621%0.208SC..THydrogen-bonded Turntrans-62.6-17.2172.756.80000113.3K110 Q155 E159K110-T157 VanDerWaalsContact CD-O 3.32Å; K110-T157 WeakPolarHBondContact CD-O 3.47Å; K110-T157 WeakPolarHBondContact CE-O 3.41Å; K110-T157 PolarHBondContact NZ-O 3.4Å; Q155-T157 VanDerWaalsContact CB-OG1 3.31Å; Q155-T157 WeakPolarHBondContact CB-OG1 3.44Å; Q155-T157 PolarHBondContact O-N 3.43Å; Q155-T157 VanDerWaalsContact O-N 3.11Å; Q155-T157 PolarHBondContact OE1-OG1 3.35Å; T157-E159 PolarHBondContact OG1-N 3.01Å
158G94.8Very high95.3Very high0 Ų038.2 Ų38.20%020%0.195CC..SBendtrans80.815.5-168.300000114T105 D106 Q155 H156 L160T105-G158 CarbonylContact C-O 3.51Å; T105-G158 VanDerWaalsContact CA-O 3.23Å; T105-G158 WeakPolarHBondContact CA-O 3.37Å; D106-G158 PolarHBondContact N-O 3.32Å; D106-G158 WeakPolarHBondContact O-CA 3.47Å; Q155-G158 PolarHBondContact O-N 3.18Å; H156-G158 PolarHBondContact O-N 3Å; G158-L160 WeakPolarHBondContact O-CD1 3.49Å
159E96.8Very high95.6Very high40 Ų4036 Ų3619%0.18719%0.188CC..EExtended strand (participates in β ladder)trans-78.2134163.6-168.3-172.7134.400109.7R103 Q155 T157R103-E159 IonicContact CZ-OE1 2.69Å; R103-E159 IonicContact NE-OE1 3.62Å; R103-E159 PolarHBondContact NE-OE1 3.01Å; R103-E159 VanDerWaalsContact NH2-CD 3.26Å; R103-E159 IonicContact NH2-OE1 2.68Å; R103-E159 PolarHBondContact NH2-OE1 3.46Å; R103-E159 IonicContact NH2-OE2 2.68Å; R103-E159 PolarHBondContact NH2-OE2 2.89Å; Q155-E159 HydrophobicContact CB-CB 4.31Å; Q155-E159 HydrophobicContact CG-CB 4.37Å; Q155-E159 PolarHBondContact N-O 2.95Å; Q155-E159 PolarHBondContact NE2-OE1 2.95Å; T157-E159 PolarHBondContact OG1-N 3.01Å
160L97.6Very high95.9Very high0 Ų030.9 Ų30.90%016%0.161CC..EExtended strand (participates in β ladder)trans-113.9134.5176.9-81.771.3000109R103 W104 D106 L109 I129 V152 I153 V154 G158R103-L160 VanDerWaalsContact CA-O 3.31Å; R103-L160 WeakPolarHBondContact CA-O 3.39Å; W104-L160 HydrophobicContact CD2-CB 4Å; W104-L160 HydrophobicContact CE3-CB 4.32Å; W104-L160 HydrophobicContact CH2-CB 4.35Å; W104-L160 HydrophobicContact CH2-CD2 4.4Å; W104-L160 HydrophobicContact CZ2-CB 4.02Å; W104-L160 HydrophobicContact CZ2-CD2 3.52Å; W104-L160 HydrophobicContact CZ2-CG 4.43Å; W104-L160 HydrophobicContact CZ3-CB 4.48Å; W104-L160 PolarHBondContact N-O 2.88Å; W104-L160 PolarHBondContact O-N 3.23Å; D106-L160 HydrophobicContact CB-CD1 3.62Å; D106-L160 HydrophobicContact CB-CD2 4.36Å; L109-L160 HydrophobicContact CD1-CD1 4.09Å; L109-L160 HydrophobicContact CD1-CD2 3.76Å; L109-L160 HydrophobicContact CD1-CG 4.39Å; I129-L160 HydrophobicContact CD1-CD2 3.82Å; V152-L160 HydrophobicContact CG1-CB 4.14Å; V152-L160 HydrophobicContact CG1-CD2 4.12Å; V152-L160 HydrophobicContact CG1-CG 4.19Å; I153-L160 WeakPolarHBondContact O-CA 3.31Å; V154-L160 HydrophobicContact CG1-CD1 3.96Å; V154-L160 HydrophobicContact CG1-CG 4.23Å; V154-L160 HydrophobicContact CG2-CG 4.21Å; G158-L160 WeakPolarHBondContact O-CD1 3.49Å
161T97.3Very high95.9Very high22 Ų2232.7 Ų32.714%0.13517%0.172CC..EExtended strand (participates in β ladder)trans-124.3123.4173.3-56.60000109.2Y102 R103 I153 I163Y102-T161 WeakPolarHBondContact O-CA 3.37Å; R103-T161 HydrophobicContact CG-CG2 4.32Å; I153-T161 PolarHBondContact N-O 3.41Å; I153-T161 PolarHBondContact O-N 3.43Å; T161-I163 HydrophobicContact CG2-CD1 4.05Å; T161-I163 HydrophobicContact CG2-CG1 3.98Å
162W96.9Very high95.8Very high8 Ų828.2 Ų28.23%0.0315%0.15CC..EExtended strand (participates in β ladder)trans-127.9120.6-179.5-175.938.1000109.6Y102 W104 Y126 T131 M147 V152 P164Y102-W162 HydrophobicContact CD2-CD2 4.37Å; Y102-W162 AromaticContact CD2-CE3 3.66Å; Y102-W162 HydrophobicContact CD2-CE3 3.66Å; Y102-W162 HydrophobicContact CD2-CZ3 4.21Å; Y102-W162 HydrophobicContact CE2-CE3 4.2Å; Y102-W162 HydrophobicContact CE2-CZ3 4.34Å; Y102-W162 HydrophobicContact CG-CE3 4.41Å; Y102-W162 PolarHBondContact N-O 3.29Å; Y102-W162 PolarHBondContact O-N 3.42Å; W104-W162 HydrophobicContact CH2-CB 3.91Å; W104-W162 HydrophobicContact CH2-CE3 4.2Å; W104-W162 HydrophobicContact CZ3-CB 3.75Å; W104-W162 HydrophobicContact CZ3-CE3 4.29Å; Y126-W162 HydrophobicContact CD2-CH2 4.39Å; Y126-W162 AromaticContact CD2-CZ2 3.83Å; Y126-W162 HydrophobicContact CD2-CZ2 3.83Å; Y126-W162 HydrophobicContact CE2-CZ2 4.48Å; Y126-W162 AromaticContact CG-CZ2 4Å; Y126-W162 HydrophobicContact CG-CZ2 4Å; T131-W162 HydrophobicContact CG2-CE3 4.28Å; T131-W162 HydrophobicContact CG2-CH2 4.04Å; T131-W162 HydrophobicContact CG2-CZ2 4.43Å; T131-W162 HydrophobicContact CG2-CZ3 3.98Å; M147-W162 HydrophobicContact CE-CH2 3.6Å; M147-W162 HydrophobicContact CE-CZ2 3.6Å; M147-W162 HydrophobicContact SD-CH2 3.78Å; M147-W162 HydrophobicContact SD-CZ2 3.84Å; V152-W162 HydrophobicContact CG1-CB 4.3Å; V152-W162 HydrophobicContact CG2-CB 4.08Å; V152-W162 HydrophobicContact CG2-CD2 4.43Å; V152-W162 HydrophobicContact CG2-CG 3.8Å; W162-P164 VanDerWaalsContact C-CD 3.4Å; W162-P164 HydrophobicContact CD2-CG 4.09Å; W162-P164 HydrophobicContact CG-CG 4.47Å; W162-P164 HydrophobicContact CZ2-CG 4.28Å; W162-P164 WeakPolarHBondContact O-CD 3.45Å
163I96Very high95.5Very high68 Ų6835.4 Ų35.435%0.34918%0.181SC..  trans-123.469.1-175.6-45.1-177.3000110.8W99 L100 N101 T161W99-I163 HydrophobicContact CB-CG2 4.06Å; W99-I163 HydrophobicContact CD2-CG2 4.44Å; W99-I163 HydrophobicContact CE3-CG2 4.02Å; W99-I163 HydrophobicContact CG-CG2 4.49Å; L100-I163 VanDerWaalsContact O-CA 3.25Å; L100-I163 WeakPolarHBondContact O-CA 3.19Å; N101-I163 HydrophobicContact CB-CG1 4.4Å; T161-I163 HydrophobicContact CG2-CD1 4.05Å; T161-I163 HydrophobicContact CG2-CG1 3.98Å
164P95.5Very high95.1Very high0 Ų033.5 Ų33.50%017%0.171CC..  trans-74.9137.3177.130.8-34.4000111.6L100 Y102 M147 A150 W162L100-P164 HydrophobicContact CB-CG 4.37Å; L100-P164 PolarHBondContact N-O 3.47Å; L100-P164 WeakPolarHBondContact O-CD 3.22Å; Y102-P164 HydrophobicContact CD2-CG 4.46Å; Y102-P164 HydrophobicContact CE2-CG 4.24Å; M147-P164 HydrophobicContact CG-CB 3.55Å; M147-P164 HydrophobicContact CG-CG 3.94Å; M147-P164 HydrophobicContact SD-CB 3.73Å; M147-P164 HydrophobicContact SD-CG 3.55Å; M147-P164 VanDerWaalsContact SD-CG 3.55Å; A150-P164 HydrophobicContact CB-CB 4.01Å; W162-P164 VanDerWaalsContact C-CD 3.4Å; W162-P164 HydrophobicContact CD2-CG 4.09Å; W162-P164 HydrophobicContact CG-CG 4.47Å; W162-P164 HydrophobicContact CZ2-CG 4.28Å; W162-P164 WeakPolarHBondContact O-CD 3.45Å
165P95.2Very high94.6Very high36 Ų3636.2 Ų36.223%0.23419%0.186CC..EExtended strand (participates in β ladder)trans-75.2140.5168.321.4-15.6000110W99 R148W99-P165 HydrophobicContact CE3-CB 3.74Å; W99-P165 HydrophobicContact CE3-CG 4.21Å; W99-P165 HydrophobicContact CH2-CB 4.02Å; W99-P165 HydrophobicContact CH2-CG 4.12Å; W99-P165 HydrophobicContact CZ3-CB 3.46Å; W99-P165 VanDerWaalsContact CZ3-CB 3.46Å; W99-P165 HydrophobicContact CZ3-CG 3.52Å; R148-P165 HydrophobicContact CB-CG 4.03Å; R148-P165 HydrophobicContact CG-CG 4.46Å; R148-P165 PolarHBondContact N-O 2.94Å
166A93.7Very high94.1Very high2 Ų233.5 Ų33.52%0.01717%0.173CC..EExtended strand (participates in β ladder)trans-134.8154.2179.200000112.3S97 V98 L100 E146 F168S97-A166 WeakPolarHBondContact CA-O 3.28Å; V98-A166 HydrophobicContact CG2-CB 4.09Å; V98-A166 PolarHBondContact N-O 3.36Å; V98-A166 PolarHBondContact O-N 3.19Å; L100-A166 HydrophobicContact CD1-CB 3.83Å; L100-A166 HydrophobicContact CG-CB 4.33Å; E146-A166 CarbonylContact O-C 3.57Å; E146-A166 VanDerWaalsContact O-CA 3.26Å; E146-A166 WeakPolarHBondContact O-CA 3.27Å; A166-F168 HydrophobicContact CB-CD2 3.98Å; A166-F168 HydrophobicContact CB-CE2 3.38Å; A166-F168 HydrophobicContact CB-CZ 3.88Å
167I94.2Very high93.7Very high54 Ų5434.5 Ų34.528%0.27718%0.177SC..EExtended strand (participates in β ladder)trans-122110167.5-60.4175.7000107L85 T95 T96 E146L85-I167 HydrophobicContact CD1-CD1 4.4Å; L85-I167 HydrophobicContact CD1-CG1 4.47Å; L85-I167 HydrophobicContact CD1-CG2 3.94Å; T95-I167 HydrophobicContact CG2-CG2 4.01Å; T96-I167 WeakPolarHBondContact O-CA 3.43Å; E146-I167 PolarHBondContact O-N 3.23Å
168F94.5Very high93.2Very high6 Ų633.4 Ų33.43%0.02617%0.171CC..EExtended strand (participates in β ladder)trans-99141.3179.1-72.3-74.4000111T95 T96 V98 L100 L136 E146 A166 L188 F190T95-F168 WeakPolarHBondContact CA-O 3.41Å; T96-F168 PolarHBondContact N-O 3.42Å; T96-F168 PolarHBondContact O-N 3.07Å; V98-F168 HydrophobicContact CG2-CD2 3.62Å; V98-F168 HydrophobicContact CG2-CE2 3.63Å; L100-F168 HydrophobicContact CD1-CE2 3.81Å; L100-F168 HydrophobicContact CD1-CZ 3.73Å; L100-F168 HydrophobicContact CD2-CE2 3.83Å; L100-F168 HydrophobicContact CD2-CZ 4.21Å; L100-F168 HydrophobicContact CG-CE2 4.07Å; L100-F168 HydrophobicContact CG-CZ 4.42Å; L136-F168 HydrophobicContact CB-CD1 3.95Å; L136-F168 HydrophobicContact CB-CE1 3.9Å; L136-F168 HydrophobicContact CD2-CB 4.17Å; L136-F168 HydrophobicContact CD2-CD1 3.64Å; L136-F168 HydrophobicContact CD2-CE1 4.44Å; L136-F168 HydrophobicContact CD2-CG 4.21Å; L136-F168 HydrophobicContact CG-CD1 4.31Å; E146-F168 HydrophobicContact CB-CD1 3.99Å; E146-F168 HydrophobicContact CB-CE1 3.75Å; E146-F168 HydrophobicContact CB-CZ 4.41Å; E146-F168 VanDerWaalsContact CD-CE1 3.45Å; E146-F168 HydrophobicContact CG-CD1 4.13Å; E146-F168 HydrophobicContact CG-CE1 4.13Å; E146-F168 VanDerWaalsContact OE1-CD1 3.29Å; E146-F168 WeakPolarHBondContact OE1-CD1 3.45Å; E146-F168 WeakPolarHBondContact OE2-CE1 3.23Å; A166-F168 HydrophobicContact CB-CD2 3.98Å; A166-F168 HydrophobicContact CB-CE2 3.38Å; A166-F168 HydrophobicContact CB-CZ 3.88Å; F168-L188 HydrophobicContact CB-CD2 4.28Å; F168-F190 HydrophobicContact CD1-CE1 4.47Å; F168-F190 HydrophobicContact CD2-CZ 4.16Å; F168-F190 AromaticContact CE1-CE1 3.79Å; F168-F190 HydrophobicContact CE1-CE1 3.79Å; F168-F190 HydrophobicContact CE1-CZ 4.24Å; F168-F190 AromaticContact CE2-CE1 3.95Å; F168-F190 HydrophobicContact CE2-CE1 3.95Å; F168-F190 AromaticContact CE2-CZ 3.79Å; F168-F190 HydrophobicContact CE2-CZ 3.79Å; F168-F190 AromaticContact CZ-CE1 3.5Å; F168-F190 HydrophobicContact CZ-CE1 3.5Å; F168-F190 VanDerWaalsContact CZ-CE1 3.5Å; F168-F190 AromaticContact CZ-CZ 3.84Å; F168-F190 HydrophobicContact CZ-CZ 3.84Å
169K94.7Very high92.8Very high64 Ų6433.7 Ų33.728%0.27817%0.173SC..EExtended strand (participates in β ladder)trans-111.9102163.4-79.9-172.3-179.5175.90108.4V93 L94 T95 Y139 A140 D141 L144V93-K169 HydrophobicContact CG1-CB 3.76Å; V93-K169 HydrophobicContact CG1-CD 4.28Å; V93-K169 HydrophobicContact CG1-CG 4.04Å; L94-K169 CarbonylContact O-C 3.55Å; L94-K169 WeakPolarHBondContact O-CA 3.33Å; T95-K169 HydrophobicContact CG2-CG 4.1Å; Y139-K169 CarbonylContact C-O 3.5Å; Y139-K169 WeakPolarHBondContact CA-O 3.33Å; A140-K169 PolarHBondContact N-O 2.78Å; D141-K169 HydrophobicContact CB-CB 4.3Å; D141-K169 HydrophobicContact CB-CD 3.64Å; D141-K169 IonicContact OD2-NZ 3.23Å; D141-K169 PolarHBondContact OD2-NZ 2.89Å; L144-K169 HydrophobicContact CD1-CD 3.73Å; L144-K169 HydrophobicContact CD1-CG 4.12Å
170S94.8Very high92.3Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-104.4141.5-179.769.30000112V93 L94 N138 C172 L188V93-S170 CarbonylContact C-O 3.56Å; V93-S170 WeakPolarHBondContact CA-O 3.34Å; L94-S170 PolarHBondContact N-O 3.08Å; L94-S170 PolarHBondContact O-N 3.12Å; N138-S170 CarbonylContact O-C 3.5Å; N138-S170 VanDerWaalsContact O-CA 3.26Å; N138-S170 WeakPolarHBondContact O-CA 3.39Å; S170-C172 PolarHBondContact O-N 3.42Å; S170-L188 WeakPolarHBondContact OG-CD2 3.44Å
171S93.7Very high91.9Very high59 Ų5937.8 Ų37.841%0.41319%0.19SC..EExtended strand (participates in β ladder)trans-69.1122.8172.9-175.30000109.6Q92 N138Q92-S171 WeakPolarHBondContact O-CA 3.45Å; N138-S171 PolarHBondContact ND2-O 3.21Å; N138-S171 PolarHBondContact O-N 3.24Å
172C93.5Very high91.4Very high1 Ų136.8 Ų36.81%0.00718%0.184CC..  trans-128.8118.6179.4178.50000110.8L87 Q92 L94 S170 I174 C186L87-C172 HydrophobicContact CD1-CB 4.45Å; Q92-C172 CarbonylContact C-O 3.54Å; Q92-C172 WeakPolarHBondContact CB-O 3.29Å; Q92-C172 PolarHBondContact O-N 3.2Å; L94-C172 HydrophobicContact CB-CB 4.11Å; S170-C172 PolarHBondContact O-N 3.42Å; C172-I174 HydrophobicContact CB-CD1 4.42Å; C172-I174 PolarHBondContact O-N 3.04Å; C172-C186 HydrophobicContact CB-CB 3.79Å; C172-C186 WeakPolarHBondContact CB-SG 3.27Å; C172-C186 WeakPolarHBondContact SG-CA 3.44Å; C172-C186 WeakPolarHBondContact SG-CB 3.22Å; C172-C186 CovalentContact SG-SG 2.04Å; C172-C186 PolarHBondContact SG-SG 3.47Å
173K90.5Very high91.2Very high151 Ų15137.9 Ų37.966%0.65719%0.19SC*.  trans-77.9104.3-178.6-178-170.4178.7-171.70111
174I89.2Confident91Very high15 Ų1534.8 Ų34.88%0.07717%0.174CC..  trans-77.7140.3-179-49.9-51.8000112L87 E89 Q92 C172 I176 Q184L87-I174 HydrophobicContact CD1-CD1 3.92Å; L87-I174 HydrophobicContact CD2-CD1 4.22Å; L87-I174 HydrophobicContact CG-CD1 4.19Å; E89-I174 HydrophobicContact CB-CG1 4.12Å; E89-I174 HydrophobicContact CB-CG2 4.14Å; E89-I174 HydrophobicContact CG-CG1 4.35Å; E89-I174 HydrophobicContact CG-CG2 4.14Å; Q92-I174 HydrophobicContact CG-CG1 4.35Å; C172-I174 HydrophobicContact CB-CD1 4.42Å; C172-I174 PolarHBondContact O-N 3.04Å; I174-I176 HydrophobicContact CG2-CG2 3.66Å; I174-Q184 HydrophobicContact CD1-CG 4.5Å; I174-Q184 HydrophobicContact CG2-CG 4.47Å
175D87.3Confident90.9Very high57 Ų5737.3 Ų37.331%0.30519%0.189SC..  trans-113.9113.2167-165.7-20.7000110.7K177 Q184D175-K177 WeakPolarHBondContact OD1-CD 3.42Å; D175-K177 VanDerWaalsContact OD1-CE 3.25Å; D175-K177 WeakPolarHBondContact OD1-CE 3.49Å; D175-K177 WeakPolarHBondContact OD1-CG 3.36Å; D175-K177 PolarHBondContact OD1-N 3.48Å; D175-K177 IonicContact OD1-NZ 2.74Å; D175-K177 WeakPolarHBondContact OD2-CE 3.44Å; D175-K177 IonicContact OD2-NZ 3.19Å; D175-K177 PolarHBondContact OD2-NZ 3.19Å; D175-Q184 PolarHBondContact O-NE2 3.22Å
176I88Confident90.9Very high3 Ų335.6 Ų35.62%0.01518%0.178CC..  trans-98.75.3-172.564.2174.1000114.4I174 S178 F179 T309 P310 S315 P317I174-I176 HydrophobicContact CG2-CG2 3.66Å; I176-S178 VanDerWaalsContact C-N 3.29Å; I176-S178 PolarHBondContact O-N 2.9Å; I176-F179 HydrophobicContact CB-CB 4.38Å; I176-F179 WeakPolarHBondContact O-CB 3.39Å; I176-F179 PolarHBondContact O-N 3.49Å; I176-T309 HydrophobicContact CD1-CG2 3.88Å; I176-P310 HydrophobicContact CD1-CG 4.23Å; I176-P310 HydrophobicContact CG2-CG 4.03Å; I176-S315 WeakPolarHBondContact CG1-O 3.26Å; I176-P317 WeakPolarHBondContact O-CB 3.32Å
177K86.7Confident91Very high80 Ų8038.8 Ų38.835%0.34819%0.192SC..THydrogen-bonded Turntrans-50.3-46.9-173.6-71.2158-162.3152.60113.3D175 S315 Y318D175-K177 WeakPolarHBondContact OD1-CD 3.42Å; D175-K177 VanDerWaalsContact OD1-CE 3.25Å; D175-K177 WeakPolarHBondContact OD1-CE 3.49Å; D175-K177 WeakPolarHBondContact OD1-CG 3.36Å; D175-K177 PolarHBondContact OD1-N 3.48Å; D175-K177 IonicContact OD1-NZ 2.74Å; D175-K177 WeakPolarHBondContact OD2-CE 3.44Å; D175-K177 IonicContact OD2-NZ 3.19Å; D175-K177 PolarHBondContact OD2-NZ 3.19Å; K177-S315 VanDerWaalsContact CE-OG 3.27Å; K177-S315 WeakPolarHBondContact CE-OG 3.39Å; K177-S315 WeakPolarHBondContact CG-OG 3.31Å; K177-Y318 HydrophobicContact CB-CE2 4.11Å; K177-Y318 WeakPolarHBondContact O-CD2 3.39Å; K177-Y318 PolarHBondContact O-N 3.13Å
178S85.9Confident91.1Very high35 Ų3536.2 Ų36.225%0.24518%0.179CC..THydrogen-bonded Turntrans-90.93.4-175.8-56.20000114.4I176 F181I176-S178 VanDerWaalsContact C-N 3.29Å; I176-S178 PolarHBondContact O-N 2.9Å; S178-F181 VanDerWaalsContact CB-O 3.29Å; S178-F181 WeakPolarHBondContact CB-O 3.36Å; S178-F181 CarbonylContact O-C 3.56Å; S178-F181 WeakPolarHBondContact O-CA 3.42Å; S178-F181 PolarHBondContact O-N 3.26Å
179F86.7Confident91.2Very high7 Ų737.6 Ų37.63%0.03119%0.185CC..THydrogen-bonded Turntrans-51.7132.1-176.5178.2-89.4000112.1I176 D182 F259 L263 L305 P317I176-F179 HydrophobicContact CB-CB 4.38Å; I176-F179 WeakPolarHBondContact O-CB 3.39Å; I176-F179 PolarHBondContact O-N 3.49Å; F179-D182 WeakPolarHBondContact CD2-OD1 3.29Å; F179-F259 HydrophobicContact CE1-CD1 4.47Å; F179-F259 AromaticContact CZ-CD1 3.75Å; F179-F259 HydrophobicContact CZ-CD1 3.75Å; F179-F259 AromaticContact CZ-CE1 3.94Å; F179-F259 HydrophobicContact CZ-CE1 3.94Å; F179-F259 HydrophobicContact CZ-CG 4.24Å; F179-L263 HydrophobicContact CE1-CD1 3.75Å; F179-L263 HydrophobicContact CZ-CD1 4.43Å; F179-L305 HydrophobicContact CD1-CD1 3.9Å; F179-L305 HydrophobicContact CE1-CD1 3.82Å; F179-P317 HydrophobicContact CB-CB 4.31Å
180P87.5Confident91.3Very high3 Ų334.7 Ų34.72%0.01917%0.173CC..THydrogen-bonded Turncis-91.9109.637.9-37.8000115.4D182 A256 F259P180-D182 VanDerWaalsContact C-N 3.25Å; P180-D182 VanDerWaalsContact C-OD1 3.28Å; P180-D182 PolarHBondContact O-N 2.86Å; P180-A256 HydrophobicContact CB-CB 4.39Å; P180-A256 HydrophobicContact CG-CB 4.43Å; P180-A256 WeakPolarHBondContact O-CB 3.32Å; P180-F259 HydrophobicContact CB-CB 3.43Å; P180-F259 VanDerWaalsContact CB-CB 3.43Å; P180-F259 HydrophobicContact CB-CD2 4.48Å; P180-F259 HydrophobicContact CB-CG 4.1Å; P180-F259 HydrophobicContact CG-CB 3.88Å
181F87.7Confident91.3Very high122 Ų12234.7 Ų34.754%0.53517%0.173SC..SBendtrans-94.950.3176.5-52.5-78.9000109.9S178 A256 S260S178-F181 VanDerWaalsContact CB-O 3.29Å; S178-F181 WeakPolarHBondContact CB-O 3.36Å; S178-F181 CarbonylContact O-C 3.56Å; S178-F181 WeakPolarHBondContact O-CA 3.42Å; S178-F181 PolarHBondContact O-N 3.26Å; F181-A256 HydrophobicContact CD1-CB 3.38Å; F181-A256 HydrophobicContact CE1-CB 3.5Å; F181-A256 VanDerWaalsContact CE1-CB 3.5Å; F181-A256 HydrophobicContact CG-CB 4.2Å; F181-A256 HydrophobicContact CZ-CB 4.38Å; F181-S260 WeakPolarHBondContact CZ-OG 3.43Å
182D88.5Confident91.4Very high1 Ų131.9 Ų31.91%0.00515%0.153CC..  trans-98145.9-173.856.8-63.6000113.7F179 P180 Q184 R254F179-D182 WeakPolarHBondContact CD2-OD1 3.29Å; P180-D182 VanDerWaalsContact C-N 3.25Å; P180-D182 VanDerWaalsContact C-OD1 3.28Å; P180-D182 PolarHBondContact O-N 2.86Å; D182-Q184 PolarHBondContact OD2-NE2 3.48Å; D182-R254 PolarHBondContact O-N 3.49Å; D182-R254 VanDerWaalsContact O-N 3.15Å; D182-R254 IonicContact OD1-CZ 3.44Å; D182-R254 IonicContact OD1-NE 2.71Å; D182-R254 PolarHBondContact OD1-NE 3.06Å; D182-R254 IonicContact OD1-NH2 3.5Å; D182-R254 IonicContact OD2-CZ 3.21Å; D182-R254 IonicContact OD2-NE 3.52Å; D182-R254 PolarHBondContact OD2-NE 3.38Å; D182-R254 IonicContact OD2-NH2 2.69Å; D182-R254 PolarHBondContact OD2-NH2 2.97Å
183E90.8Very high91.3Very high31 Ų3139.6 Ų39.615%0.14518%0.182CC..EExtended strand (participates in β ladder)trans-120.7122.6175.3-67.7178.8141.400108.3I225 L252 R253 S769E183-I225 HydrophobicContact CG-CD1 4.27Å; E183-L252 CarbonylContact C-O 3.42Å; E183-L252 VanDerWaalsContact CA-O 3.32Å; E183-L252 WeakPolarHBondContact CA-O 3.14Å; E183-R253 HydrophobicContact CG-CB 4.3Å; E183-R253 HydrophobicContact CG-CG 4.09Å; E183-R253 IonicContact OE1-CZ 2.9Å; E183-R253 VanDerWaalsContact OE1-CZ 3.23Å; E183-R253 IonicContact OE1-NE 3.34Å; E183-R253 PolarHBondContact OE1-NE 3.38Å; E183-R253 IonicContact OE1-NH2 2.74Å; E183-R253 PolarHBondContact OE1-NH2 3.43Å; E183-S769 VanDerWaalsContact OE2-CB 3.27Å; E183-S769 WeakPolarHBondContact OE2-CB 3.32Å; E183-S769 PolarHBondContact OE2-OG 2.89Å
184Q92.4Very high91.4Very high3 Ų336.6 Ų36.61%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-109.9145.1-174.2-54.7-55.9-22.800110.9L87 I174 D175 D182 W222 F251 L252L87-Q184 HydrophobicContact CD2-CB 4.44Å; L87-Q184 HydrophobicContact CD2-CG 4.39Å; I174-Q184 HydrophobicContact CD1-CG 4.5Å; I174-Q184 HydrophobicContact CG2-CG 4.47Å; D175-Q184 PolarHBondContact O-NE2 3.22Å; D182-Q184 PolarHBondContact OD2-NE2 3.48Å; Q184-W222 HydrophobicContact CG-CH2 3.95Å; Q184-W222 HydrophobicContact CG-CZ3 3.94Å; Q184-F251 WeakPolarHBondContact O-CA 3.41Å; Q184-L252 PolarHBondContact N-O 2.99Å; Q184-L252 PolarHBondContact O-N 3.38Å
185T93.1Very high91.6Very high53 Ų5338.1 Ų38.133%0.32518%0.182SC..EExtended strand (participates in β ladder)trans-120.994.4177.7-560000109.6F249 F251T185-F249 HydrophobicContact CG2-CD1 4.37Å; T185-F251 HydrophobicContact CG2-CD1 3.99Å; T185-F251 HydrophobicContact CG2-CE1 3.39Å; T185-F251 HydrophobicContact CG2-CE2 4.31Å; T185-F251 HydrophobicContact CG2-CZ 3.55Å; T185-F251 WeakPolarHBondContact OG1-CD1 3.47Å; T185-F251 VanDerWaalsContact OG1-CE1 3.28Å; T185-F251 WeakPolarHBondContact OG1-CE1 3.22Å
186C95.8Very high91.9Very high0 Ų035.7 Ų35.70%017%0.169CC..EExtended strand (participates in β ladder)trans-94.1158.4175.8-61.10000111.1L94 C172 F249 L250L94-C186 HydrophobicContact CD2-CB 3.58Å; C172-C186 HydrophobicContact CB-CB 3.79Å; C172-C186 WeakPolarHBondContact CB-SG 3.27Å; C172-C186 WeakPolarHBondContact SG-CA 3.44Å; C172-C186 WeakPolarHBondContact SG-CB 3.22Å; C172-C186 CovalentContact SG-SG 2.04Å; C172-C186 PolarHBondContact SG-SG 3.47Å; C186-F249 WeakPolarHBondContact O-CA 3.3Å; C186-L250 PolarHBondContact N-O 2.86Å; C186-L250 PolarHBondContact O-N 3.22Å
187H95.4Very high92.2Very high69 Ų6936.4 Ų36.432%0.31918%0.177SC..EExtended strand (participates in β ladder)trans-141.2153.2175.162.6-81.9000112.2N138 T247 F248 F249N138-H187 PolarHBondContact ND2-O 3.06Å; H187-T247 HydrophobicContact CB-CG2 3.91Å; H187-F248 CarbonylContact C-O 3.54Å; H187-F248 WeakPolarHBondContact CA-O 3.4Å; H187-F249 HydrophobicContact CB-CD1 3.84Å; H187-F249 HydrophobicContact CB-CE1 3.96Å; H187-F249 HydrophobicContact CB-CG 4.36Å
188L96.3Very high92.5Very high1 Ų137.9 Ų37.91%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-123.7110.2175.3-68.3161.6000107L79 L136 F168 S170 F190 T247 F248L79-L188 HydrophobicContact CD1-CD1 4.17Å; L136-L188 HydrophobicContact CD1-CB 4.1Å; L136-L188 HydrophobicContact CD1-CD2 3.85Å; L136-L188 HydrophobicContact CD2-CD2 4.35Å; F168-L188 HydrophobicContact CB-CD2 4.28Å; S170-L188 WeakPolarHBondContact OG-CD2 3.44Å; L188-F190 HydrophobicContact CB-CD2 4.44Å; L188-F190 HydrophobicContact CB-CE2 3.72Å; L188-F190 HydrophobicContact CB-CZ 4.39Å; L188-T247 WeakPolarHBondContact O-CA 3.46Å; L188-F248 HydrophobicContact CB-CB 4.47Å; L188-F248 PolarHBondContact N-O 3.48Å; L188-F248 PolarHBondContact O-N 3.39Å
189K95.9Very high92.9Very high35 Ų3540.4 Ų40.415%0.15220%0.195CC..EExtended strand (participates in β ladder)trans-103.5113.9-177178176.6177.6106.70110.8L136 Y137 N138 Y236 D245 T247L136-K189 CarbonylContact C-O 3.57Å; L136-K189 WeakPolarHBondContact CA-O 3.08Å; Y137-K189 HydrophobicContact CD2-CD 3.97Å; Y137-K189 VanDerWaalsContact CD2-CE 3.45Å; Y137-K189 HydrophobicContact CD2-CG 4.24Å; Y137-K189 HydrophobicContact CG-CD 4.37Å; Y137-K189 HydrophobicContact CG-CG 4.3Å; Y137-K189 PolarHBondContact N-O 2.91Å; N138-K189 PolarHBondContact OD1-N 3.33Å; K189-Y236 WeakPolarHBondContact CE-OH 3.31Å; K189-D245 VanDerWaalsContact CE-CG 3.44Å; K189-D245 WeakPolarHBondContact CE-OD1 3.43Å; K189-D245 WeakPolarHBondContact CE-OD2 3.48Å; K189-D245 HydrophobicContact CG-CB 4.46Å; K189-D245 IonicContact NZ-OD1 3.64Å; K189-D245 PolarHBondContact NZ-OD1 3.2Å; K189-D245 IonicContact NZ-OD2 3.74Å; K189-D245 PolarHBondContact NZ-OD2 3.09Å; K189-T247 HydrophobicContact CB-CG2 4.36Å
190F96.8Very high93.3Very high2 Ų240.1 Ų40.11%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-109.5142.3178.6-65.7-80.8000111.9M77 L79 L100 I134 V135 L136 F168 L188 D245 L246 F248M77-F190 HydrophobicContact CE-CB 4.05Å; M77-F190 HydrophobicContact CE-CD1 4.07Å; M77-F190 HydrophobicContact CE-CD2 3.75Å; M77-F190 HydrophobicContact CE-CE1 4.49Å; M77-F190 HydrophobicContact CE-CE2 4.19Å; M77-F190 HydrophobicContact CE-CG 3.68Å; M77-F190 HydrophobicContact SD-CB 4.08Å; M77-F190 HydrophobicContact SD-CG 4.37Å; L79-F190 HydrophobicContact CD1-CD2 4.43Å; L79-F190 HydrophobicContact CD1-CE2 3.48Å; L79-F190 VanDerWaalsContact CD1-CE2 3.48Å; L79-F190 HydrophobicContact CD1-CZ 4Å; L100-F190 HydrophobicContact CD2-CE1 4.17Å; L100-F190 HydrophobicContact CD2-CZ 4.04Å; I134-F190 HydrophobicContact CG2-CB 3.88Å; I134-F190 HydrophobicContact CG2-CD1 4.29Å; V135-F190 WeakPolarHBondContact O-CA 3.44Å; L136-F190 HydrophobicContact CB-CD1 4.3Å; L136-F190 HydrophobicContact CB-CE1 3.92Å; L136-F190 HydrophobicContact CD1-CD1 4.47Å; L136-F190 HydrophobicContact CD1-CE1 4.04Å; L136-F190 HydrophobicContact CD1-CE2 4.28Å; L136-F190 HydrophobicContact CD1-CZ 3.95Å; F168-F190 HydrophobicContact CD1-CE1 4.47Å; F168-F190 HydrophobicContact CD2-CZ 4.16Å; F168-F190 AromaticContact CE1-CE1 3.79Å; F168-F190 HydrophobicContact CE1-CE1 3.79Å; F168-F190 HydrophobicContact CE1-CZ 4.24Å; F168-F190 AromaticContact CE2-CE1 3.95Å; F168-F190 HydrophobicContact CE2-CE1 3.95Å; F168-F190 AromaticContact CE2-CZ 3.79Å; F168-F190 HydrophobicContact CE2-CZ 3.79Å; F168-F190 AromaticContact CZ-CE1 3.5Å; F168-F190 HydrophobicContact CZ-CE1 3.5Å; F168-F190 VanDerWaalsContact CZ-CE1 3.5Å; F168-F190 AromaticContact CZ-CZ 3.84Å; F168-F190 HydrophobicContact CZ-CZ 3.84Å; L188-F190 HydrophobicContact CB-CD2 4.44Å; L188-F190 HydrophobicContact CB-CE2 3.72Å; L188-F190 HydrophobicContact CB-CZ 4.39Å; F190-D245 CarbonylContact O-C 3.53Å; F190-D245 VanDerWaalsContact O-CA 3.28Å; F190-D245 WeakPolarHBondContact O-CA 3.29Å; F190-D245 WeakPolarHBondContact O-CB 3.36Å; F190-L246 PolarHBondContact N-O 2.95Å; F190-L246 PolarHBondContact O-N 3.41Å; F190-F248 AromaticContact CD2-CD2 3.81Å; F190-F248 HydrophobicContact CD2-CD2 3.81Å; F190-F248 AromaticContact CD2-CE2 3.91Å; F190-F248 HydrophobicContact CD2-CE2 3.91Å; F190-F248 HydrophobicContact CE2-CD2 4.2Å; F190-F248 HydrophobicContact CE2-CE2 4.49Å
191G95.5Very high93.7Very high0 Ų040.7 Ų40.70%020%0.197CC..EExtended strand (participates in β ladder)trans-166.6168172.900000111.6I134 V135 Y137I134-G191 WeakPolarHBondContact CA-O 3.35Å; V135-G191 PolarHBondContact N-O 3.05Å; V135-G191 PolarHBondContact O-N 3.25Å; Y137-G191 WeakPolarHBondContact CE1-O 3.14Å; Y137-G191 WeakPolarHBondContact OH-CA 3.34Å
192S95.8Very high94.1Very high1 Ų134.9 Ų34.91%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-70.9128.6173171.80000110.2D133 Y137 Y195D133-S192 VanDerWaalsContact CG-OG 3.24Å; D133-S192 WeakPolarHBondContact OD1-CB 3.29Å; D133-S192 PolarHBondContact OD1-OG 3.24Å; D133-S192 PolarHBondContact OD2-OG 3.19Å; Y137-S192 PolarHBondContact OH-O 3.11Å; S192-Y195 WeakPolarHBondContact OG-CB 3.25Å; S192-Y195 PolarHBondContact OG-N 3.45Å
193W92.2Very high94.5Very high162 Ų16236.1 Ų36.161%0.61418%0.179SC*.SBendtrans-71.3-31.7-179.4-167.2-109.4000113.4D133 V135 Y137D133-W193 PolarHBondContact O-N 3.33Å; D133-W193 VanDerWaalsContact O-N 3.17Å; D133-W193 PolarHBondContact OD2-N 3.25Å; V135-W193 HydrophobicContact CG2-CB 3.88Å; V135-W193 HydrophobicContact CG2-CD2 4.15Å; V135-W193 HydrophobicContact CG2-CE3 3.61Å; V135-W193 HydrophobicContact CG2-CG 4.31Å; V135-W193 HydrophobicContact CG2-CZ3 4.47Å; Y137-W193 HydrophobicContact CD1-CE3 4.45Å; Y137-W193 HydrophobicContact CE1-CE3 4.27Å
194T92.6Very high94.7Very high88 Ų8835.5 Ų35.554%0.5418%0.176SC..SBendtrans-121.5-18.2-170.266.80000115.3D133D133-T194 WeakPolarHBondContact OD2-CB 3.32Å; D133-T194 PolarHBondContact OD2-N 2.74Å; D133-T194 PolarHBondContact OD2-OG1 2.71Å
195Y93.9Very high94.8Very high47 Ų4735.9 Ų35.918%0.18418%0.178CC..  trans-101.9133.4178.7-57.5-64.1000112R64 W130 D133 S192 K199 L200 Y243R64-Y195 HydrophobicContact CG-CD1 4.46Å; R64-Y195 HydrophobicContact CG-CE1 3.81Å; R64-Y195 HydrophobicContact CG-CE2 4.21Å; W130-Y195 HydrophobicContact CZ2-CE2 4.08Å; D133-Y195 VanDerWaalsContact OD1-CD2 3.3Å; D133-Y195 WeakPolarHBondContact OD1-CD2 3.48Å; S192-Y195 WeakPolarHBondContact OG-CB 3.25Å; S192-Y195 PolarHBondContact OG-N 3.45Å; Y195-K199 HydrophobicContact CD1-CB 3.98Å; Y195-K199 HydrophobicContact CD1-CD 4.12Å; Y195-K199 HydrophobicContact CG-CB 4.35Å; Y195-L200 HydrophobicContact CD2-CB 4.06Å; Y195-L200 HydrophobicContact CD2-CD1 3.59Å; Y195-L200 HydrophobicContact CD2-CG 4.49Å; Y195-L200 HydrophobicContact CE2-CD1 4.24Å; Y195-L200 HydrophobicContact CG-CB 4.03Å; Y195-L200 HydrophobicContact CG-CD1 4.41Å; Y195-Y243 WeakPolarHBondContact O-CD1 3.49Å
196D93.6Very high94.6Very high6 Ų638.4 Ų38.43%0.03219%0.189CC..  trans-78.4167.1165.864-58000111.6N198 K199 L200 E241 Y243D196-N198 PolarHBondContact O-N 3.49Å; D196-N198 VanDerWaalsContact OD2-CB 3.32Å; D196-N198 WeakPolarHBondContact OD2-CB 3.34Å; D196-N198 PolarHBondContact OD2-N 3.41Å; D196-N198 PolarHBondContact OD2-ND2 3.28Å; D196-K199 PolarHBondContact O-N 3.48Å; D196-K199 VanDerWaalsContact OD1-CD 3.24Å; D196-K199 WeakPolarHBondContact OD1-CD 3.49Å; D196-K199 WeakPolarHBondContact OD1-CE 3.27Å; D196-K199 VanDerWaalsContact OD1-CG 3.26Å; D196-K199 WeakPolarHBondContact OD1-CG 3.44Å; D196-K199 IonicContact OD1-NZ 2.69Å; D196-K199 PolarHBondContact OD1-NZ 3.17Å; D196-K199 IonicContact OD2-NZ 2.75Å; D196-L200 PolarHBondContact O-N 3.15Å; D196-E241 HydrophobicContact CB-CB 3.79Å; D196-E241 HydrophobicContact CB-CG 4.28Å; D196-Y243 HydrophobicContact CB-CE1 4.22Å; D196-Y243 HydrophobicContact CB-CE2 4.47Å
197G93Very high94.2Very high18 Ų1845 Ų4519%0.18623%0.225CC..THydrogen-bonded Turntrans-60.9-17.4-176.200000115.7K199 L200 F242G197-K199 VanDerWaalsContact C-N 3.33Å; G197-L200 WeakPolarHBondContact CA-O 3.36Å; G197-F242 PolarHBondContact N-O 2.84Å
198N92.8Very high93.9Very high112 Ų11245.2 Ų45.260%0.59923%0.226SC*.THydrogen-bonded Turntrans-79.9-16.9173.3-49.4-70.3000112.5K72 D196K72-N198 WeakPolarHBondContact CB-O 3.47Å; D196-N198 PolarHBondContact O-N 3.49Å; D196-N198 VanDerWaalsContact OD2-CB 3.32Å; D196-N198 WeakPolarHBondContact OD2-CB 3.34Å; D196-N198 PolarHBondContact OD2-N 3.41Å; D196-N198 PolarHBondContact OD2-ND2 3.28Å
199K94.5Very high93.7Very high88 Ų8846.3 Ų46.338%0.38324%0.235SC..THydrogen-bonded Turntrans-108.3-42.1-178.6-64.9-175.8-16784.40112.1R64 V73 Y195 D196 G197R64-K199 WeakPolarHBondContact CD-O 3.5Å; R64-K199 PolarHBondContact NH1-O 2.99Å; V73-K199 PolarHBondContact N-O 2.95Å; Y195-K199 HydrophobicContact CD1-CB 3.98Å; Y195-K199 HydrophobicContact CD1-CD 4.12Å; Y195-K199 HydrophobicContact CG-CB 4.35Å; D196-K199 PolarHBondContact O-N 3.48Å; D196-K199 VanDerWaalsContact OD1-CD 3.24Å; D196-K199 WeakPolarHBondContact OD1-CD 3.49Å; D196-K199 WeakPolarHBondContact OD1-CE 3.27Å; D196-K199 VanDerWaalsContact OD1-CG 3.26Å; D196-K199 WeakPolarHBondContact OD1-CG 3.44Å; D196-K199 IonicContact OD1-NZ 2.69Å; D196-K199 PolarHBondContact OD1-NZ 3.17Å; D196-K199 IonicContact OD2-NZ 2.75Å; G197-K199 VanDerWaalsContact C-N 3.33Å
200L95.7Very high93.6Very high0 Ų048 Ų480%024%0.244CC..EExtended strand (participates in β ladder)trans-138.2123176.5-165.6163.7000108.6V73 V75 W130 P132 Y195 D196 G197 V202V73-L200 WeakPolarHBondContact O-CA 3.31Å; V75-L200 HydrophobicContact CB-CD2 4.22Å; V75-L200 HydrophobicContact CG2-CD1 4.28Å; V75-L200 HydrophobicContact CG2-CD2 3.79Å; V75-L200 HydrophobicContact CG2-CG 3.99Å; W130-L200 HydrophobicContact CH2-CD1 4.01Å; W130-L200 HydrophobicContact CZ2-CD1 4.1Å; P132-L200 HydrophobicContact CB-CD1 3.99Å; Y195-L200 HydrophobicContact CD2-CB 4.06Å; Y195-L200 HydrophobicContact CD2-CD1 3.59Å; Y195-L200 HydrophobicContact CD2-CG 4.49Å; Y195-L200 HydrophobicContact CE2-CD1 4.24Å; Y195-L200 HydrophobicContact CG-CB 4.03Å; Y195-L200 HydrophobicContact CG-CD1 4.41Å; D196-L200 PolarHBondContact O-N 3.15Å; G197-L200 WeakPolarHBondContact CA-O 3.36Å; L200-V202 HydrophobicContact CD2-CG2 3.47Å; L200-V202 VanDerWaalsContact CD2-CG2 3.47Å
201D95.7Very high93.5Very high15 Ų1548 Ų488%0.0824%0.244CC..EExtended strand (participates in β ladder)trans-112.9134.1177.1-163.3-2.1000110.1K72 V73 L74 V75 R231K72-D201 HydrophobicContact CD-CB 4Å; K72-D201 IonicContact NZ-OD2 3.72Å; K72-D201 PolarHBondContact NZ-OD2 3.14Å; V73-D201 PolarHBondContact O-N 3.34Å; L74-D201 HydrophobicContact CD1-CB 4.39Å; V75-D201 PolarHBondContact N-O 2.87Å; D201-R231 IonicContact OD1-CZ 2.84Å; D201-R231 IonicContact OD1-NE 2.99Å; D201-R231 IonicContact OD1-NH2 3.5Å; D201-R231 PolarHBondContact OD1-NH2 3.14Å; D201-R231 IonicContact OD2-NH2 3.96Å; D201-R231 PolarHBondContact OD2-NH2 3.49Å
202V95.7Very high93.5Very high1 Ų149.9 Ų49.91%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-113.6126.9-174.8-166.30000109.6V75 M77 I134 L200 R231 L246V75-V202 WeakPolarHBondContact O-CA 3.39Å; M77-V202 HydrophobicContact CB-CG1 4.3Å; I134-V202 HydrophobicContact CD1-CG1 4.06Å; I134-V202 HydrophobicContact CD1-CG2 4.08Å; L200-V202 HydrophobicContact CD2-CG2 3.47Å; L200-V202 VanDerWaalsContact CD2-CG2 3.47Å; V202-R231 VanDerWaalsContact O-CD 3.25Å; V202-R231 WeakPolarHBondContact O-CD 3.44Å; V202-R231 PolarHBondContact O-NE 3Å; V202-L246 HydrophobicContact CB-CG 4.48Å; V202-L246 HydrophobicContact CG1-CD1 3.75Å; V202-L246 HydrophobicContact CG1-CD2 4.49Å; V202-L246 HydrophobicContact CG1-CG 3.77Å
203T96Very high93.4Very high27 Ų2752 Ų5217%0.16627%0.265CS..EExtended strand (participates in β ladder)trans-133170.2-178.354.70000111.4L74 V75 E76 M77L74-T203 HydrophobicContact CD1-CG2 3.75Å; V75-T203 PolarHBondContact O-N 3.5Å; V75-T203 VanDerWaalsContact O-N 3.08Å; E76-T203 CarbonylContact C-O 3.58Å; E76-T203 WeakPolarHBondContact CA-O 3.4Å; M77-T203 PolarHBondContact N-O 3.09Å
204F95.9Very high93.4Very high17 Ų1748.6 Ų48.68%0.07527%0.265CS..EExtended strand (participates in β ladder)trans-83.7134.7174.2-61.6-66.3000111M77 N206 N207 A209 A229 R231 L246 F248M77-F204 WeakPolarHBondContact O-CA 3.37Å; F204-N206 PolarHBondContact O-N 3.5Å; F204-N207 PolarHBondContact O-N 3.29Å; F204-N207 VanDerWaalsContact O-N 3.07Å; F204-A209 HydrophobicContact CD2-CB 3.8Å; F204-A209 HydrophobicContact CE2-CB 3.74Å; F204-A209 HydrophobicContact CG-CB 4.43Å; F204-A209 HydrophobicContact CZ-CB 4.33Å; F204-A229 HydrophobicContact CE1-CB 3.49Å; F204-A229 VanDerWaalsContact CE1-CB 3.49Å; F204-A229 HydrophobicContact CZ-CB 3.57Å; F204-R231 HydrophobicContact CE2-CB 3.96Å; F204-R231 HydrophobicContact CZ-CB 4.43Å; F204-L246 HydrophobicContact CD1-CD1 3.86Å; F204-L246 HydrophobicContact CD1-CD2 4.32Å; F204-L246 HydrophobicContact CE1-CB 4.24Å; F204-L246 HydrophobicContact CE1-CD1 3.79Å; F204-L246 HydrophobicContact CE1-CD2 3.85Å; F204-L246 HydrophobicContact CE1-CG 4.18Å; F204-L246 HydrophobicContact CE2-CD2 4.2Å; F204-L246 HydrophobicContact CZ-CD2 3.79Å; F204-F248 HydrophobicContact CD1-CE1 4.43Å; F204-F248 HydrophobicContact CD1-CZ 4.38Å; F204-F248 HydrophobicContact CE1-CE1 4.04Å; F204-F248 HydrophobicContact CE1-CZ 4.01Å
205I93.7Very high93.4Very high11 Ų1148.3 Ų48.36%0.05626%0.261CS..G310 helixtrans-55.2132.9168.7-66.8171.2000108.7E76 M77 N101 R103 N207 E208E76-I205 HydrophobicContact CB-CB 4.35Å; E76-I205 HydrophobicContact CB-CG1 3.45Å; E76-I205 VanDerWaalsContact CB-CG1 3.45Å; M77-I205 PolarHBondContact O-N 2.91Å; M77-I205 VanDerWaalsContact O-N 3.14Å; N101-I205 HydrophobicContact CB-CD1 4.01Å; R103-I205 HydrophobicContact CG-CD1 4.02Å; I205-N207 PolarHBondContact O-N 3.48Å; I205-E208 PolarHBondContact O-N 2.97Å
206N89.7Confident93.5Very high106 Ų10648 Ų4857%0.56726%0.26SS*.G310 helixtrans56.415.2-177.4-54.2-23.4000115.2F204 E208F204-N206 PolarHBondContact O-N 3.5Å; N206-E208 HydrophobicContact CB-CG 4.03Å; N206-E208 PolarHBondContact ND2-OE1 2.96Å; N206-E208 VanDerWaalsContact ND2-OE1 3.1Å; N206-E208 PolarHBondContact O-N 3.43Å
207N88.2Confident93.5Very high140 Ų14051.5 Ų51.575%0.74928%0.281SS*.G310 helixtrans58.421.2-165.3-62.6-38.8000114.8F204 I205 A209F204-N207 PolarHBondContact O-N 3.29Å; F204-N207 VanDerWaalsContact O-N 3.07Å; I205-N207 PolarHBondContact O-N 3.48Å; N207-A209 PolarHBondContact O-N 3.32Å
208E89.2Confident93.5Very high72 Ų7258.6 Ų58.634%0.33631%0.31SS..  trans-76.685.7178.7-72.6-176.1-118.100111.7I205 N206 Q210I205-E208 PolarHBondContact O-N 2.97Å; N206-E208 HydrophobicContact CB-CG 4.03Å; N206-E208 PolarHBondContact ND2-OE1 2.96Å; N206-E208 VanDerWaalsContact ND2-OE1 3.1Å; N206-E208 PolarHBondContact O-N 3.43Å; E208-Q210 PolarHBondContact O-N 3.14Å
209A91.9Very high93.5Very high24 Ų2454.8 Ų54.820%0.19829%0.292CS..  trans-73.153.8179.600000113.7F204 N207 A229 Y780F204-A209 HydrophobicContact CD2-CB 3.8Å; F204-A209 HydrophobicContact CE2-CB 3.74Å; F204-A209 HydrophobicContact CG-CB 4.43Å; F204-A209 HydrophobicContact CZ-CB 4.33Å; N207-A209 PolarHBondContact O-N 3.32Å; A209-A229 PolarHBondContact O-N 3.21Å; A209-Y780 WeakPolarHBondContact CB-OH 3.43Å; A209-Y780 PolarHBondContact O-OH 3.36Å
210Q92.8Very high93.2Very high72 Ų7258 Ų5834%0.33631%0.313SS..BIsolated β-bridgetrans-151.1156-18059.7179.9-10.300111.7E208 R227E208-Q210 PolarHBondContact O-N 3.14Å; Q210-R227 WeakPolarHBondContact CA-O 3.46Å
211V94.7Very high93Very high0 Ų061 Ų610%033%0.327CS..  trans-70.4139.8162.2176.30000108.7L79 L81 R227 F248 L250L79-V211 HydrophobicContact CD2-CB 4.49Å; L79-V211 HydrophobicContact CD2-CG1 3.66Å; L79-V211 HydrophobicContact CD2-CG2 4.23Å; L79-V211 WeakPolarHBondContact O-CA 3.48Å; L81-V211 HydrophobicContact CB-CG1 3.76Å; V211-R227 HydrophobicContact CB-CB 4.13Å; V211-R227 PolarHBondContact N-O 3.27Å; V211-R227 VanDerWaalsContact O-CD 3.3Å; V211-R227 WeakPolarHBondContact O-CD 3.34Å; V211-R227 PolarHBondContact O-NH1 3.4Å; V211-F248 HydrophobicContact CG2-CB 3.77Å; V211-F248 HydrophobicContact CG2-CD1 3.69Å; V211-F248 HydrophobicContact CG2-CG 4.14Å; V211-L250 HydrophobicContact CG1-CD2 4.49Å; V211-L250 HydrophobicContact CG2-CD2 4.16Å
212L95.2Very high92.9Very high40 Ų4060.6 Ų60.621%0.20932%0.324CS..BIsolated β-bridgetrans-86.9144.6174.2-61.2174.3000111.2L79 S80 L81L79-L212 PolarHBondContact O-N 3.4Å; S80-L212 WeakPolarHBondContact CA-O 3.4Å; L81-L212 PolarHBondContact N-O 2.75Å
213L94.6Very high92.8Very high46 Ų4665.6 Ų65.624%0.24135%0.348CS..  trans-121.822.5177.5-61.8-176.7000112.5L81 D215 Y216 R227L81-L213 HydrophobicContact CB-CD2 4Å; L81-L213 HydrophobicContact CD2-CD2 4.03Å; L81-L213 HydrophobicContact CG-CD2 4.48Å; L213-D215 PolarHBondContact O-N 3.34Å; L213-Y216 HydrophobicContact CD1-CD1 4.46Å; L213-Y216 HydrophobicContact CD2-CD1 4.22Å; L213-Y216 HydrophobicContact CD2-CD2 4.17Å; L213-Y216 HydrophobicContact CD2-CG 3.81Å; L213-Y216 PolarHBondContact O-N 3.02Å; L213-R227 VanDerWaalsContact CG-CD 3.5Å
214S92.5Very high92.7Very high90 Ų9065.6 Ų65.663%0.62935%0.348SS*.THydrogen-bonded Turntrans-53.4-39.2178.2390000112.9
215D92.1Very high92.5Very high83 Ų8367.5 Ų67.544%0.44436%0.358SS..THydrogen-bonded Turntrans-113.717.2-172.6-45.6-85.6000111.5L213 T217L213-D215 PolarHBondContact O-N 3.34Å; D215-T217 PolarHBondContact O-N 2.85Å
216Y95.2Very high92.3Very high41 Ų4167.7 Ų67.716%0.16136%0.361CS..PPolyproline II helixtrans-75.9120.7-172.9-179.6-119.5000112.1L81 I82 I84 L213 E218 V224L81-Y216 HydrophobicContact CD2-CD2 3.91Å; L81-Y216 HydrophobicContact CD2-CE2 3.76Å; L81-Y216 HydrophobicContact CG-CD2 3.85Å; L81-Y216 HydrophobicContact CG-CE2 4.06Å; L81-Y216 WeakPolarHBondContact O-CA 3.4Å; L81-Y216 WeakPolarHBondContact O-CB 3.49Å; I82-Y216 WeakPolarHBondContact O-CA 3.22Å; I84-Y216 HydrophobicContact CG1-CE2 4.42Å; L213-Y216 HydrophobicContact CD1-CD1 4.46Å; L213-Y216 HydrophobicContact CD2-CD1 4.22Å; L213-Y216 HydrophobicContact CD2-CD2 4.17Å; L213-Y216 HydrophobicContact CD2-CG 3.81Å; L213-Y216 PolarHBondContact O-N 3.02Å; Y216-E218 HydrophobicContact CD1-CG 4.43Å; Y216-E218 HydrophobicContact CE1-CB 4.48Å; Y216-E218 HydrophobicContact CE1-CG 4.21Å; Y216-V224 HydrophobicContact CE1-CG2 4.16Å
217T95.4Very high92.5Very high79 Ų7965.8 Ų65.849%0.48535%0.346SS..PPolyproline II helixtrans-88.6116.7167.1-580000109.3I82 D215 S219I82-T217 PolarHBondContact O-N 3.31Å; D215-T217 PolarHBondContact O-N 2.85Å; T217-S219 PolarHBondContact O-N 3.47Å
218E92.9Very high92.9Very high167 Ų16759.7 Ų59.778%0.7831%0.314SS*.PPolyproline II helixtrans-56.4135.2-179.5-64.7-177.5168.200112.5Y216Y216-E218 HydrophobicContact CD1-CG 4.43Å; Y216-E218 HydrophobicContact CE1-CB 4.48Å; Y216-E218 HydrophobicContact CE1-CG 4.21Å
219S91.2Very high93.1Very high32 Ų3256.2 Ų56.222%0.22430%0.298CS..PPolyproline II helixtrans-85.6133.6174.1179.70000110.9T217 E221 W222T217-S219 PolarHBondContact O-N 3.47Å; S219-E221 PolarHBondContact O-N 2.96Å; S219-E221 PolarHBondContact OG-N 3.23Å; S219-W222 PolarHBondContact OG-N 3.04Å
220N89.9Confident93.2Very high154 Ų15455.8 Ų55.882%0.82429%0.292SS*.SBendtrans-62.5-23.4176.1-64.7-68.1000113.3N255N220-N255 PolarHBondContact O-ND2 2.72Å
221E90.8Very high93.3Very high64 Ų6456.6 Ų56.630%0.29929%0.292SS..SBendtrans-103.3-30.1-179-175170.7-16300113.6S219 R254 N255 F259S219-E221 PolarHBondContact O-N 2.96Å; S219-E221 PolarHBondContact OG-N 3.23Å; E221-R254 HydrophobicContact CG-CG 4Å; E221-R254 CarbonylContact O-C 3.55Å; E221-R254 WeakPolarHBondContact O-CA 3.46Å; E221-R254 IonicContact OE1-CZ 3.66Å; E221-R254 IonicContact OE1-NH1 2.68Å; E221-R254 PolarHBondContact OE1-NH1 3.23Å; E221-N255 WeakPolarHBondContact O-CB 3.43Å; E221-N255 PolarHBondContact O-N 2.99Å; E221-F259 WeakPolarHBondContact OE1-CE2 3.31Å
222W93.6Very high93.2Very high6 Ų659.4 Ų59.42%0.02331%0.307CS..EExtended strand (participates in β ladder)trans-124.8110.2-167.5-65.1103.9000113.2I84 L87 Q184 S219 L252 R253 R254I84-W222 HydrophobicContact CD1-CB 4.17Å; L87-W222 HydrophobicContact CB-CZ2 4.25Å; L87-W222 HydrophobicContact CD2-CD2 4.42Å; L87-W222 HydrophobicContact CD2-CH2 3.89Å; L87-W222 HydrophobicContact CD2-CZ2 3.74Å; L87-W222 HydrophobicContact CD2-CZ3 4.31Å; L87-W222 HydrophobicContact CG-CZ2 4.31Å; Q184-W222 HydrophobicContact CG-CH2 3.95Å; Q184-W222 HydrophobicContact CG-CZ3 3.94Å; S219-W222 PolarHBondContact OG-N 3.04Å; W222-L252 HydrophobicContact CE3-CB 3.79Å; W222-L252 HydrophobicContact CZ3-CB 4.31Å; W222-R253 WeakPolarHBondContact CA-O 3.37Å; W222-R254 HydrophobicContact CE3-CB 4.23Å; W222-R254 HydrophobicContact CH2-CB 4.06Å; W222-R254 HydrophobicContact CH2-CG 4.29Å; W222-R254 VanDerWaalsContact CH2-CZ 3.49Å; W222-R254 HydrophobicContact CZ2-CG 4.49Å; W222-R254 HydrophobicContact CZ3-CB 3.78Å; W222-R254 HydrophobicContact CZ3-CG 4.38Å
223E93.5Very high93.2Very high107 Ų10761.2 Ų61.250%0.532%0.32SS..EExtended strand (participates in β ladder)trans-80.9131.7170.3175.8-172.2-142.200109.9I225 L252 R253E223-I225 PolarHBondContact O-N 3.4Å; E223-L252 CarbonylContact O-C 3.54Å; E223-L252 VanDerWaalsContact O-CA 3.31Å; E223-L252 WeakPolarHBondContact O-CA 3.4Å; E223-R253 HydrophobicContact CB-CB 4.29Å; E223-R253 PolarHBondContact N-O 3.19Å; E223-R253 PolarHBondContact O-N 3.42Å; E223-R253 IonicContact OE1-NH1 2.7Å; E223-R253 WeakPolarHBondContact OE2-CD 3.35Å; E223-R253 IonicContact OE2-CZ 2.71Å; E223-R253 IonicContact OE2-NE 3.68Å; E223-R253 IonicContact OE2-NH1 3.57Å; E223-R253 PolarHBondContact OE2-NH1 3.07Å
224V93.5Very high93Very high27 Ų2764 Ų6416%0.16433%0.33CS..EExtended strand (participates in β ladder)trans-91.899.5176-177.60000109.3I84 Y216 R227 L252I84-V224 HydrophobicContact CD1-CG2 3.97Å; Y216-V224 HydrophobicContact CE1-CG2 4.16Å; V224-R227 HydrophobicContact CG1-CB 4.4Å; V224-L252 HydrophobicContact CB-CD2 4.5Å; V224-L252 HydrophobicContact CG2-CD2 3.84Å
225I91.2Very high93Very high56 Ų5662 Ų6229%0.28732%0.316SS..EExtended strand (participates in β ladder)trans-69.7-47.8-178.9-45167.7000110.9E183 E223 F251 R253 V773E183-I225 HydrophobicContact CG-CD1 4.27Å; E223-I225 PolarHBondContact O-N 3.4Å; I225-F251 HydrophobicContact CB-CB 4.27Å; I225-F251 PolarHBondContact N-O 3.04Å; I225-R253 HydrophobicContact CD1-CB 3.98Å; I225-R253 HydrophobicContact CG1-CB 4Å; I225-V773 HydrophobicContact CD1-CG2 4.24Å; I225-V773 HydrophobicContact CG2-CG1 4.47Å
226A91Very high93Very high16 Ų1660.7 Ų60.713%0.13231%0.305CS..EExtended strand (participates in β ladder)trans-151.8151-172.500000111F251 V773A226-F251 HydrophobicContact CB-CB 4.04Å; A226-F251 HydrophobicContact CB-CD2 3.87Å; A226-F251 HydrophobicContact CB-CG 4.16Å; A226-F251 PolarHBondContact O-N 3.04Å; A226-V773 HydrophobicContact CB-CG1 4.48Å
227R94.2Very high92.8Very high66 Ų6665.6 Ų65.625%0.24934%0.342CS..  trans-142.938.9-168.363.8-172.8160.8106.6-4.9116.5Q210 V211 L213 V224 F249 L250Q210-R227 WeakPolarHBondContact CA-O 3.46Å; V211-R227 HydrophobicContact CB-CB 4.13Å; V211-R227 PolarHBondContact N-O 3.27Å; V211-R227 VanDerWaalsContact O-CD 3.3Å; V211-R227 WeakPolarHBondContact O-CD 3.34Å; V211-R227 PolarHBondContact O-NH1 3.4Å; L213-R227 VanDerWaalsContact CG-CD 3.5Å; V224-R227 HydrophobicContact CG1-CB 4.4Å; R227-F249 CarbonylContact C-O 3.53Å; R227-F249 VanDerWaalsContact CA-O 3.32Å; R227-F249 WeakPolarHBondContact CA-O 3.34Å; R227-L250 HydrophobicContact CB-CD2 4.33Å
228P94.9Very high92.6Very high11 Ų1167 Ų677%0.07135%0.354CS..BIsolated β-bridgetrans-71.5156.6-174.932.6-35.7000112.5F249 F251 F776 Y780P228-F249 HydrophobicContact CG-CB 4.28Å; P228-F249 PolarHBondContact O-N 2.77Å; P228-F251 HydrophobicContact CG-CE2 4.01Å; P228-F776 HydrophobicContact CG-CD1 4.49Å; P228-F776 HydrophobicContact CG-CE1 3.75Å; P228-Y780 HydrophobicContact CB-CD2 3.96Å; P228-Y780 HydrophobicContact CB-CE1 4.27Å; P228-Y780 HydrophobicContact CB-CE2 3.67Å; P228-Y780 HydrophobicContact CB-CG 4.4Å
229A94.6Very high92.5Very high0 Ų060.6 Ų60.60%033%0.328CS..EExtended strand (participates in β ladder)trans-126.6142.9173.200000111.4F204 A209 T247 F248 Y780F204-A229 HydrophobicContact CE1-CB 3.49Å; F204-A229 VanDerWaalsContact CE1-CB 3.49Å; F204-A229 HydrophobicContact CZ-CB 3.57Å; A209-A229 PolarHBondContact O-N 3.21Å; A229-T247 WeakPolarHBondContact CA-O 3.35Å; A229-F248 HydrophobicContact CB-CB 4.42Å; A229-F248 HydrophobicContact CB-CD1 3.44Å; A229-F248 VanDerWaalsContact CB-CD1 3.44Å; A229-F248 HydrophobicContact CB-CE1 3.83Å; A229-F248 HydrophobicContact CB-CG 4Å; A229-Y780 WeakPolarHBondContact O-CE2 3.46Å; A229-Y780 PolarHBondContact O-OH 3.34Å
230L93.8Very high92.5Very high15 Ų1564.3 Ų64.38%0.07935%0.351CS..EExtended strand (participates in β ladder)trans-119.9133.2178.8-76172.3000110.6T247 F249 Y780 N784L230-T247 PolarHBondContact N-O 3.48Å; L230-T247 PolarHBondContact O-N 3.28Å; L230-F249 HydrophobicContact CB-CE2 4.39Å; L230-F249 HydrophobicContact CD1-CE2 4.01Å; L230-F249 HydrophobicContact CG-CE2 4.41Å; L230-Y780 HydrophobicContact CD1-CD2 4.21Å; L230-Y780 HydrophobicContact CD2-CD2 3.53Å; L230-Y780 HydrophobicContact CD2-CE2 3.45Å; L230-Y780 VanDerWaalsContact CD2-CE2 3.45Å; L230-Y780 HydrophobicContact CG-CD2 3.77Å; L230-Y780 HydrophobicContact CG-CE2 3.75Å; L230-N784 WeakPolarHBondContact CD2-OD1 3.45Å
231R95Very high92.6Very high88 Ų8860.5 Ų60.533%0.33233%0.328SS..EExtended strand (participates in β ladder)trans-87.6119.2164.1178.8172.6176-87.90.6108.4D201 V202 F204 D245 L246D201-R231 IonicContact OD1-CZ 2.84Å; D201-R231 IonicContact OD1-NE 2.99Å; D201-R231 IonicContact OD1-NH2 3.5Å; D201-R231 PolarHBondContact OD1-NH2 3.14Å; D201-R231 IonicContact OD2-NH2 3.96Å; D201-R231 PolarHBondContact OD2-NH2 3.49Å; V202-R231 VanDerWaalsContact O-CD 3.25Å; V202-R231 WeakPolarHBondContact O-CD 3.44Å; V202-R231 PolarHBondContact O-NE 3Å; F204-R231 HydrophobicContact CE2-CB 3.96Å; F204-R231 HydrophobicContact CZ-CB 4.43Å; R231-D245 CarbonylContact C-O 3.52Å; R231-D245 WeakPolarHBondContact CA-O 3.38Å; R231-L246 HydrophobicContact CB-CD2 3.67Å; R231-L246 HydrophobicContact CG-CD2 3.84Å
232N93.2Very high92.8Very high60 Ų6063.5 Ų63.532%0.32134%0.34SS..EExtended strand (participates in β ladder)trans-107156172.9-44.8-77.6000109.6P244 D245 T247N232-P244 WeakPolarHBondContact O-CA 3.47Å; N232-D245 PolarHBondContact N-O 2.88Å; N232-D245 PolarHBondContact ND2-OD2 2.95Å; N232-D245 PolarHBondContact O-N 3.4Å; N232-T247 PolarHBondContact ND2-OG1 2.99Å; N232-T247 VanDerWaalsContact ND2-OG1 3.16Å
233V94Very high92.9Very high78 Ų7864.9 Ų64.947%0.47335%0.346SS..EExtended strand (participates in β ladder)trans-128.9121168.9178.50000107F242 P244V233-F242 HydrophobicContact CG1-CB 3.77Å; V233-F242 HydrophobicContact CG1-CD1 4.09Å; V233-F242 HydrophobicContact CG1-CG 4.25Å; V233-P244 HydrophobicContact CG2-CB 4.48Å
234K90.6Very high93Very high104 Ų10460 Ų6045%0.45232%0.323SS..EExtended strand (participates in β ladder)trans-140.6135.5-168.5179.8172.6179.3-170.90112.4Y236 Y243K234-Y236 HydrophobicContact CB-CE2 4.09Å; K234-Y236 HydrophobicContact CD-CE1 4.14Å; K234-Y236 HydrophobicContact CD-CE2 4.26Å; K234-Y236 HydrophobicContact CG-CD2 4.38Å; K234-Y236 HydrophobicContact CG-CE2 4Å; K234-Y243 PolarHBondContact N-O 2.93Å; K234-Y243 PolarHBondContact O-N 3.49Å
235S92.8Very high93.1Very high49 Ų4958.7 Ų58.734%0.34332%0.315SS..EExtended strand (participates in β ladder)trans-87.7146.6163.8174.10000110.5C239 E241S235-C239 PolarHBondContact OG-O 2.84Å; S235-E241 WeakPolarHBondContact CA-O 3.15Å; S235-E241 WeakPolarHBondContact CB-O 3.38Å; S235-E241 PolarHBondContact OG-O 3.32Å
236Y91.1Very high93.4Very high54 Ų5456 Ų5621%0.21230%0.302CS..EExtended strand (participates in β ladder)trans-117.5149.1-175.5-72.3-94.6000110.5K189 K234 C238 C239 Y243K189-Y236 WeakPolarHBondContact CE-OH 3.31Å; K234-Y236 HydrophobicContact CB-CE2 4.09Å; K234-Y236 HydrophobicContact CD-CE1 4.14Å; K234-Y236 HydrophobicContact CD-CE2 4.26Å; K234-Y236 HydrophobicContact CG-CD2 4.38Å; K234-Y236 HydrophobicContact CG-CE2 4Å; Y236-C238 PolarHBondContact O-N 2.68Å; Y236-C239 CarbonylContact O-C 3.56Å; Y236-C239 PolarHBondContact O-N 3.19Å; Y236-Y243 HydrophobicContact CD2-CD2 4.09Å; Y236-Y243 HydrophobicContact CD2-CG 4.38Å
237P92.4Very high93.6Very high145 Ų14555.6 Ų55.694%0.94230%0.298SS*.THydrogen-bonded Turntrans-59.5-12.5-174.3-26.435.6000116.4
238C91.2Very high93.7Very high108 Ų10852.5 Ų52.573%0.7329%0.286SS*.THydrogen-bonded Turntrans-89.2-21.2175.552.70000114.5Y236Y236-C238 PolarHBondContact O-N 2.68Å
239C90.2Very high93.8Very high33 Ų3353.5 Ų53.522%0.22329%0.289CS..EExtended strand (participates in β ladder)trans-144120.2-166-62.60000110.5S235 Y236 E241 Y243S235-C239 PolarHBondContact OG-O 2.84Å; Y236-C239 CarbonylContact O-C 3.56Å; Y236-C239 PolarHBondContact O-N 3.19Å; C239-E241 WeakPolarHBondContact CB-OE2 3.42Å; C239-E241 PolarHBondContact O-N 2.84Å; C239-Y243 HydrophobicContact CB-CE2 3.7Å
240P90.1Very high93.8Very high110 Ų11053.6 Ų53.671%0.71429%0.29SS*.EExtended strand (participates in β ladder)trans-65.2-17.8178.428.6-36.4000113.5
241E93.2Very high93.8Very high74 Ų7453 Ų5335%0.34629%0.286SS..EExtended strand (participates in β ladder)trans-67.7159.8178.9-59.379-175.800113.1D196 S235 C239 Y243D196-E241 HydrophobicContact CB-CB 3.79Å; D196-E241 HydrophobicContact CB-CG 4.28Å; S235-E241 WeakPolarHBondContact CA-O 3.15Å; S235-E241 WeakPolarHBondContact CB-O 3.38Å; S235-E241 PolarHBondContact OG-O 3.32Å; C239-E241 WeakPolarHBondContact CB-OE2 3.42Å; C239-E241 PolarHBondContact O-N 2.84Å; E241-Y243 HydrophobicContact CB-CE2 3.95Å
242F94.3Very high93.8Very high127 Ų12748.8 Ų48.856%0.55727%0.271SS*.EExtended strand (participates in β ladder)trans-96.3129.3173.5-70.8-82.8000111G197 V233G197-F242 PolarHBondContact N-O 2.84Å; V233-F242 HydrophobicContact CG1-CB 3.77Å; V233-F242 HydrophobicContact CG1-CD1 4.09Å; V233-F242 HydrophobicContact CG1-CG 4.25Å
243Y95.4Very high93.8Very high35 Ų3549.4 Ų49.414%0.13727%0.268CS..EExtended strand (participates in β ladder)trans-110.5124.6178.7-68-101.4000109.4Y195 D196 K234 Y236 C239 E241Y195-Y243 WeakPolarHBondContact O-CD1 3.49Å; D196-Y243 HydrophobicContact CB-CE1 4.22Å; D196-Y243 HydrophobicContact CB-CE2 4.47Å; K234-Y243 PolarHBondContact N-O 2.93Å; K234-Y243 PolarHBondContact O-N 3.49Å; Y236-Y243 HydrophobicContact CD2-CD2 4.09Å; Y236-Y243 HydrophobicContact CD2-CG 4.38Å; C239-Y243 HydrophobicContact CB-CE2 3.7Å; E241-Y243 HydrophobicContact CB-CE2 3.95Å
244P95.9Very high93.7Very high3 Ų346.1 Ų46.12%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-78.7143.4172.731.6-32000110.6N232 V233N232-P244 WeakPolarHBondContact O-CA 3.47Å; V233-P244 HydrophobicContact CG2-CB 4.48Å
245D96Very high93.7Very high1 Ų145.4 Ų45.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-143.6147.5173.767.8-114.6000112.1K189 F190 R231 N232 T247K189-D245 VanDerWaalsContact CE-CG 3.44Å; K189-D245 WeakPolarHBondContact CE-OD1 3.43Å; K189-D245 WeakPolarHBondContact CE-OD2 3.48Å; K189-D245 HydrophobicContact CG-CB 4.46Å; K189-D245 IonicContact NZ-OD1 3.64Å; K189-D245 PolarHBondContact NZ-OD1 3.2Å; K189-D245 IonicContact NZ-OD2 3.74Å; K189-D245 PolarHBondContact NZ-OD2 3.09Å; F190-D245 CarbonylContact O-C 3.53Å; F190-D245 VanDerWaalsContact O-CA 3.28Å; F190-D245 WeakPolarHBondContact O-CA 3.29Å; F190-D245 WeakPolarHBondContact O-CB 3.36Å; R231-D245 CarbonylContact C-O 3.52Å; R231-D245 WeakPolarHBondContact CA-O 3.38Å; N232-D245 PolarHBondContact N-O 2.88Å; N232-D245 PolarHBondContact ND2-OD2 2.95Å; N232-D245 PolarHBondContact O-N 3.4Å; D245-T247 PolarHBondContact OD2-OG1 3.43Å
246L96.6Very high93.5Very high0 Ų043.7 Ų43.70%024%0.237CC..EExtended strand (participates in β ladder)trans-104.5116.4172.2-59.2-170000109.1M77 F190 V202 F204 R231 F248M77-L246 HydrophobicContact CB-CD1 3.84Å; M77-L246 HydrophobicContact CG-CD1 4.27Å; M77-L246 HydrophobicContact SD-CD1 4.18Å; F190-L246 PolarHBondContact N-O 2.95Å; F190-L246 PolarHBondContact O-N 3.41Å; V202-L246 HydrophobicContact CB-CG 4.48Å; V202-L246 HydrophobicContact CG1-CD1 3.75Å; V202-L246 HydrophobicContact CG1-CD2 4.49Å; V202-L246 HydrophobicContact CG1-CG 3.77Å; F204-L246 HydrophobicContact CD1-CD1 3.86Å; F204-L246 HydrophobicContact CD1-CD2 4.32Å; F204-L246 HydrophobicContact CE1-CB 4.24Å; F204-L246 HydrophobicContact CE1-CD1 3.79Å; F204-L246 HydrophobicContact CE1-CD2 3.85Å; F204-L246 HydrophobicContact CE1-CG 4.18Å; F204-L246 HydrophobicContact CE2-CD2 4.2Å; F204-L246 HydrophobicContact CZ-CD2 3.79Å; R231-L246 HydrophobicContact CB-CD2 3.67Å; R231-L246 HydrophobicContact CG-CD2 3.84Å; L246-F248 HydrophobicContact CB-CD2 4.47Å; L246-F248 HydrophobicContact CB-CE2 3.81Å; L246-F248 HydrophobicContact CB-CZ 4.36Å; L246-F248 HydrophobicContact CD1-CE2 4.33Å; L246-F248 HydrophobicContact CD1-CZ 4.19Å
247T96.5Very high93.3Very high7 Ų743.4 Ų43.44%0.04325%0.246CC..EExtended strand (participates in β ladder)trans-107108.9174.5-55.30000109.9H187 L188 K189 A229 L230 N232 D245 F249H187-T247 HydrophobicContact CB-CG2 3.91Å; L188-T247 WeakPolarHBondContact O-CA 3.46Å; K189-T247 HydrophobicContact CB-CG2 4.36Å; A229-T247 WeakPolarHBondContact CA-O 3.35Å; L230-T247 PolarHBondContact N-O 3.48Å; L230-T247 PolarHBondContact O-N 3.28Å; N232-T247 PolarHBondContact ND2-OG1 2.99Å; N232-T247 VanDerWaalsContact ND2-OG1 3.16Å; D245-T247 PolarHBondContact OD2-OG1 3.43Å; T247-F249 HydrophobicContact CG2-CD2 4.18Å; T247-F249 HydrophobicContact CG2-CE1 4.31Å; T247-F249 HydrophobicContact CG2-CE2 3.51Å; T247-F249 HydrophobicContact CG2-CZ 3.59Å; T247-F249 WeakPolarHBondContact O-CD2 3.41Å
248F96.4Very high93.1Very high0 Ų043.1 Ų43.10%023%0.23CC..EExtended strand (participates in β ladder)trans-87.7131.2174.1-60.7-97000109.2M77 L79 H187 L188 F190 F204 V211 A229 L246M77-F248 HydrophobicContact CE-CE2 4.17Å; M77-F248 HydrophobicContact SD-CE2 4.45Å; L79-F248 HydrophobicContact CB-CD1 4.14Å; L79-F248 HydrophobicContact CB-CE1 3.87Å; L79-F248 HydrophobicContact CB-CE2 4.36Å; L79-F248 HydrophobicContact CB-CZ 3.99Å; L79-F248 HydrophobicContact CD1-CD2 4.32Å; L79-F248 HydrophobicContact CD1-CG 4.46Å; H187-F248 CarbonylContact C-O 3.54Å; H187-F248 WeakPolarHBondContact CA-O 3.4Å; L188-F248 HydrophobicContact CB-CB 4.47Å; L188-F248 PolarHBondContact N-O 3.48Å; L188-F248 PolarHBondContact O-N 3.39Å; F190-F248 AromaticContact CD2-CD2 3.81Å; F190-F248 HydrophobicContact CD2-CD2 3.81Å; F190-F248 AromaticContact CD2-CE2 3.91Å; F190-F248 HydrophobicContact CD2-CE2 3.91Å; F190-F248 HydrophobicContact CE2-CD2 4.2Å; F190-F248 HydrophobicContact CE2-CE2 4.49Å; F204-F248 HydrophobicContact CD1-CE1 4.43Å; F204-F248 HydrophobicContact CD1-CZ 4.38Å; F204-F248 HydrophobicContact CE1-CE1 4.04Å; F204-F248 HydrophobicContact CE1-CZ 4.01Å; V211-F248 HydrophobicContact CG2-CB 3.77Å; V211-F248 HydrophobicContact CG2-CD1 3.69Å; V211-F248 HydrophobicContact CG2-CG 4.14Å; A229-F248 HydrophobicContact CB-CB 4.42Å; A229-F248 HydrophobicContact CB-CD1 3.44Å; A229-F248 VanDerWaalsContact CB-CD1 3.44Å; A229-F248 HydrophobicContact CB-CE1 3.83Å; A229-F248 HydrophobicContact CB-CG 4Å; L246-F248 HydrophobicContact CB-CD2 4.47Å; L246-F248 HydrophobicContact CB-CE2 3.81Å; L246-F248 HydrophobicContact CB-CZ 4.36Å; L246-F248 HydrophobicContact CD1-CE2 4.33Å; L246-F248 HydrophobicContact CD1-CZ 4.19Å
249F95.8Very high92.9Very high32 Ų3239.5 Ų39.514%0.1420%0.202CC..EExtended strand (participates in β ladder)trans-108.3142.6178.7-66.6-97.4000110.9T185 C186 H187 R227 P228 L230 T247 F251 F776T185-F249 HydrophobicContact CG2-CD1 4.37Å; C186-F249 WeakPolarHBondContact O-CA 3.3Å; H187-F249 HydrophobicContact CB-CD1 3.84Å; H187-F249 HydrophobicContact CB-CE1 3.96Å; H187-F249 HydrophobicContact CB-CG 4.36Å; R227-F249 CarbonylContact C-O 3.53Å; R227-F249 VanDerWaalsContact CA-O 3.32Å; R227-F249 WeakPolarHBondContact CA-O 3.34Å; P228-F249 HydrophobicContact CG-CB 4.28Å; P228-F249 PolarHBondContact O-N 2.77Å; L230-F249 HydrophobicContact CB-CE2 4.39Å; L230-F249 HydrophobicContact CD1-CE2 4.01Å; L230-F249 HydrophobicContact CG-CE2 4.41Å; T247-F249 HydrophobicContact CG2-CD2 4.18Å; T247-F249 HydrophobicContact CG2-CE1 4.31Å; T247-F249 HydrophobicContact CG2-CE2 3.51Å; T247-F249 HydrophobicContact CG2-CZ 3.59Å; T247-F249 WeakPolarHBondContact O-CD2 3.41Å; F249-F251 HydrophobicContact CB-CD2 4.49Å; F249-F251 HydrophobicContact CB-CE2 3.84Å; F249-F776 HydrophobicContact CB-CZ 4.44Å; F249-F776 HydrophobicContact CD1-CE2 4Å; F249-F776 AromaticContact CD1-CZ 3.84Å; F249-F776 HydrophobicContact CD1-CZ 3.84Å; F249-F776 AromaticContact CD2-CZ 3.84Å; F249-F776 HydrophobicContact CD2-CZ 3.84Å; F249-F776 AromaticContact CE1-CE2 3.87Å; F249-F776 HydrophobicContact CE1-CE2 3.87Å; F249-F776 AromaticContact CE1-CZ 3.98Å; F249-F776 HydrophobicContact CE1-CZ 3.98Å; F249-F776 AromaticContact CE2-CZ 3.99Å; F249-F776 HydrophobicContact CE2-CZ 3.99Å; F249-F776 HydrophobicContact CG-CE1 4.49Å; F249-F776 HydrophobicContact CG-CE2 4.41Å; F249-F776 AromaticContact CG-CZ 3.77Å; F249-F776 HydrophobicContact CG-CZ 3.77Å; F249-F776 HydrophobicContact CZ-CE2 4.17Å; F249-F776 HydrophobicContact CZ-CZ 4.05Å
250L95.5Very high92.8Very high3 Ų339.2 Ų39.22%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-124.8115.9173.9-67.4174.7000108.9L81 L94 T96 C186 V211 R227 L252L81-L250 HydrophobicContact CD2-CD1 4.38Å; L81-L250 HydrophobicContact CD2-CD2 4.24Å; L94-L250 HydrophobicContact CD2-CD1 4.14Å; T96-L250 HydrophobicContact CG2-CD1 4.37Å; C186-L250 PolarHBondContact N-O 2.86Å; C186-L250 PolarHBondContact O-N 3.22Å; V211-L250 HydrophobicContact CG1-CD2 4.49Å; V211-L250 HydrophobicContact CG2-CD2 4.16Å; R227-L250 HydrophobicContact CB-CD2 4.33Å; L250-L252 HydrophobicContact CB-CD2 4.2Å; L250-L252 HydrophobicContact CB-CG 4.38Å
251F94.4Very high92.7Very high2 Ų242 Ų421%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-95.8111.3173.5-68-92.7000108.5Q184 T185 I225 A226 P228 F249 V773 F776Q184-F251 WeakPolarHBondContact O-CA 3.41Å; T185-F251 HydrophobicContact CG2-CD1 3.99Å; T185-F251 HydrophobicContact CG2-CE1 3.39Å; T185-F251 HydrophobicContact CG2-CE2 4.31Å; T185-F251 HydrophobicContact CG2-CZ 3.55Å; T185-F251 WeakPolarHBondContact OG1-CD1 3.47Å; T185-F251 VanDerWaalsContact OG1-CE1 3.28Å; T185-F251 WeakPolarHBondContact OG1-CE1 3.22Å; I225-F251 HydrophobicContact CB-CB 4.27Å; I225-F251 PolarHBondContact N-O 3.04Å; A226-F251 HydrophobicContact CB-CB 4.04Å; A226-F251 HydrophobicContact CB-CD2 3.87Å; A226-F251 HydrophobicContact CB-CG 4.16Å; A226-F251 PolarHBondContact O-N 3.04Å; P228-F251 HydrophobicContact CG-CE2 4.01Å; F249-F251 HydrophobicContact CB-CD2 4.49Å; F249-F251 HydrophobicContact CB-CE2 3.84Å; F251-V773 HydrophobicContact CD1-CG1 4.23Å; F251-V773 HydrophobicContact CD1-CG2 4.06Å; F251-V773 HydrophobicContact CG-CG1 4.44Å; F251-F776 HydrophobicContact CE1-CB 4.19Å; F251-F776 HydrophobicContact CE1-CD1 4.3Å; F251-F776 HydrophobicContact CE1-CG 4.13Å; F251-F776 AromaticContact CE2-CD1 3.71Å; F251-F776 HydrophobicContact CE2-CD1 3.71Å; F251-F776 AromaticContact CE2-CE1 3.78Å; F251-F776 HydrophobicContact CE2-CE1 3.78Å; F251-F776 HydrophobicContact CE2-CG 4.29Å; F251-F776 HydrophobicContact CE2-CZ 4.36Å; F251-F776 HydrophobicContact CZ-CB 3.96Å; F251-F776 AromaticContact CZ-CD1 3.3Å; F251-F776 HydrophobicContact CZ-CD1 3.3Å; F251-F776 AromaticContact CZ-CD2 3.88Å; F251-F776 HydrophobicContact CZ-CD2 3.88Å; F251-F776 AromaticContact CZ-CE1 3.7Å; F251-F776 HydrophobicContact CZ-CE1 3.7Å; F251-F776 HydrophobicContact CZ-CE2 4.2Å; F251-F776 AromaticContact CZ-CG 3.41Å; F251-F776 HydrophobicContact CZ-CG 3.41Å; F251-F776 VanDerWaalsContact CZ-CG 3.41Å; F251-F776 HydrophobicContact CZ-CZ 4.12Å
252L94Very high92.6Very high0 Ų041.8 Ų41.80%020%0.198CC..EExtended strand (participates in β ladder)trans-113.7133-171.4-54.3-180000110I84 L87 L94 E183 Q184 W222 E223 V224 L250I84-L252 HydrophobicContact CD1-CD1 4.16Å; I84-L252 HydrophobicContact CD1-CD2 3.54Å; L87-L252 HydrophobicContact CD2-CD1 4.07Å; L94-L252 HydrophobicContact CD1-CD1 4.35Å; E183-L252 CarbonylContact C-O 3.42Å; E183-L252 VanDerWaalsContact CA-O 3.32Å; E183-L252 WeakPolarHBondContact CA-O 3.14Å; Q184-L252 PolarHBondContact N-O 2.99Å; Q184-L252 PolarHBondContact O-N 3.38Å; W222-L252 HydrophobicContact CE3-CB 3.79Å; W222-L252 HydrophobicContact CZ3-CB 4.31Å; E223-L252 CarbonylContact O-C 3.54Å; E223-L252 VanDerWaalsContact O-CA 3.31Å; E223-L252 WeakPolarHBondContact O-CA 3.4Å; V224-L252 HydrophobicContact CB-CD2 4.5Å; V224-L252 HydrophobicContact CG2-CD2 3.84Å; L250-L252 HydrophobicContact CB-CD2 4.2Å; L250-L252 HydrophobicContact CB-CG 4.38Å
253R92.8Very high92.3Very high72 Ų7235.9 Ų35.927%0.27217%0.173SC..EExtended strand (participates in β ladder)trans-110.5136.4170.7-174.8178.6-64134-7.4109.9E183 W222 E223 I225E183-R253 HydrophobicContact CG-CB 4.3Å; E183-R253 HydrophobicContact CG-CG 4.09Å; E183-R253 IonicContact OE1-CZ 2.9Å; E183-R253 VanDerWaalsContact OE1-CZ 3.23Å; E183-R253 IonicContact OE1-NE 3.34Å; E183-R253 PolarHBondContact OE1-NE 3.38Å; E183-R253 IonicContact OE1-NH2 2.74Å; E183-R253 PolarHBondContact OE1-NH2 3.43Å; W222-R253 WeakPolarHBondContact CA-O 3.37Å; E223-R253 HydrophobicContact CB-CB 4.29Å; E223-R253 PolarHBondContact N-O 3.19Å; E223-R253 PolarHBondContact O-N 3.42Å; E223-R253 IonicContact OE1-NH1 2.7Å; E223-R253 WeakPolarHBondContact OE2-CD 3.35Å; E223-R253 IonicContact OE2-CZ 2.71Å; E223-R253 IonicContact OE2-NE 3.68Å; E223-R253 IonicContact OE2-NH1 3.57Å; E223-R253 PolarHBondContact OE2-NH1 3.07Å; I225-R253 HydrophobicContact CD1-CB 3.98Å; I225-R253 HydrophobicContact CG1-CB 4Å
254R92.4Very high91.9Very high9 Ų936.4 Ų36.43%0.03418%0.179CC..EExtended strand (participates in β ladder)trans-77135.2174.8-162.6-171.4-57.3-91.8-2.3111.7E89 D182 E221 W222 A256E89-R254 IonicContact OE1-CZ 3.97Å; E89-R254 IonicContact OE1-NH1 2.7Å; E89-R254 PolarHBondContact OE1-NH1 3.31Å; E89-R254 IonicContact OE1-NH2 3.14Å; E89-R254 PolarHBondContact OE1-NH2 3.04Å; D182-R254 PolarHBondContact O-N 3.49Å; D182-R254 VanDerWaalsContact O-N 3.15Å; D182-R254 IonicContact OD1-CZ 3.44Å; D182-R254 IonicContact OD1-NE 2.71Å; D182-R254 PolarHBondContact OD1-NE 3.06Å; D182-R254 IonicContact OD1-NH2 3.5Å; D182-R254 IonicContact OD2-CZ 3.21Å; D182-R254 IonicContact OD2-NE 3.52Å; D182-R254 PolarHBondContact OD2-NE 3.38Å; D182-R254 IonicContact OD2-NH2 2.69Å; D182-R254 PolarHBondContact OD2-NH2 2.97Å; E221-R254 HydrophobicContact CG-CG 4Å; E221-R254 CarbonylContact O-C 3.55Å; E221-R254 WeakPolarHBondContact O-CA 3.46Å; E221-R254 IonicContact OE1-CZ 3.66Å; E221-R254 IonicContact OE1-NH1 2.68Å; E221-R254 PolarHBondContact OE1-NH1 3.23Å; W222-R254 HydrophobicContact CE3-CB 4.23Å; W222-R254 HydrophobicContact CH2-CB 4.06Å; W222-R254 HydrophobicContact CH2-CG 4.29Å; W222-R254 VanDerWaalsContact CH2-CZ 3.49Å; W222-R254 HydrophobicContact CZ2-CG 4.49Å; W222-R254 HydrophobicContact CZ3-CB 3.78Å; W222-R254 HydrophobicContact CZ3-CG 4.38Å; R254-A256 VanDerWaalsContact C-N 3.26Å; R254-A256 PolarHBondContact O-N 3.26Å
255N91.1Very high91.5Very high90 Ų9040.1 Ų40.148%0.48120%0.199SC..  trans-7081.6164-175.8-0.1000110.1N220 E221 A257N220-N255 PolarHBondContact O-ND2 2.72Å; E221-N255 WeakPolarHBondContact O-CB 3.43Å; E221-N255 PolarHBondContact O-N 2.99Å; N255-A257 PolarHBondContact O-N 2.96Å
256A88Confident91.3Very high12 Ų1242 Ų4210%0.09921%0.211CC..THydrogen-bonded Turntrans-60.8-8.7-171.600000115.6P180 F181 R254 F258 F259 S260P180-A256 HydrophobicContact CB-CB 4.39Å; P180-A256 HydrophobicContact CG-CB 4.43Å; P180-A256 WeakPolarHBondContact O-CB 3.32Å; F181-A256 HydrophobicContact CD1-CB 3.38Å; F181-A256 HydrophobicContact CE1-CB 3.5Å; F181-A256 VanDerWaalsContact CE1-CB 3.5Å; F181-A256 HydrophobicContact CG-CB 4.2Å; F181-A256 HydrophobicContact CZ-CB 4.38Å; R254-A256 VanDerWaalsContact C-N 3.26Å; R254-A256 PolarHBondContact O-N 3.26Å; A256-F258 PolarHBondContact O-N 3.38Å; A256-F259 PolarHBondContact O-N 3.3Å; A256-S260 VanDerWaalsContact O-CB 3.3Å; A256-S260 WeakPolarHBondContact O-CB 3.43Å; A256-S260 PolarHBondContact O-N 2.87Å; A256-S260 PolarHBondContact O-OG 2.92Å
257A87.1Confident91Very high48 Ų4842.3 Ų42.340%0.39721%0.213SC..Hα-helixtrans-57.7-48.5-171.700000113.2N255 S260 Y261N255-A257 PolarHBondContact O-N 2.96Å; A257-S260 WeakPolarHBondContact O-CB 3.3Å; A257-S260 PolarHBondContact O-N 3.46Å; A257-Y261 WeakPolarHBondContact O-CD2 3.5Å; A257-Y261 PolarHBondContact O-N 2.97Å; A257-Y261 VanDerWaalsContact O-N 3.16Å
258F88.8Confident90.5Very high139 Ų13946 Ų4661%0.6124%0.236SC*.Hα-helixtrans-60.8-50.4-178.6177.2-105.4000112.2A256 S260 Y261 I262A256-F258 PolarHBondContact O-N 3.38Å; F258-S260 VanDerWaalsContact C-N 3.31Å; F258-S260 PolarHBondContact O-N 3.27Å; F258-Y261 PolarHBondContact O-N 3.3Å; F258-I262 HydrophobicContact CD1-CD1 4.21Å; F258-I262 HydrophobicContact CD2-CD1 4.07Å; F258-I262 HydrophobicContact CE1-CD1 3.7Å; F258-I262 HydrophobicContact CE2-CD1 3.54Å; F258-I262 HydrophobicContact CG-CD1 4.39Å; F258-I262 HydrophobicContact CZ-CD1 3.34Å; F258-I262 PolarHBondContact O-N 3.31Å
259F87.1Confident90.2Very high33 Ų3350.6 Ų50.615%0.14526%0.259CS..Hα-helixtrans-67.1-31.2177.6-66.1-83000112.6F179 P180 E221 A256 I262 L263F179-F259 HydrophobicContact CE1-CD1 4.47Å; F179-F259 AromaticContact CZ-CD1 3.75Å; F179-F259 HydrophobicContact CZ-CD1 3.75Å; F179-F259 AromaticContact CZ-CE1 3.94Å; F179-F259 HydrophobicContact CZ-CE1 3.94Å; F179-F259 HydrophobicContact CZ-CG 4.24Å; P180-F259 HydrophobicContact CB-CB 3.43Å; P180-F259 VanDerWaalsContact CB-CB 3.43Å; P180-F259 HydrophobicContact CB-CD2 4.48Å; P180-F259 HydrophobicContact CB-CG 4.1Å; P180-F259 HydrophobicContact CG-CB 3.88Å; E221-F259 WeakPolarHBondContact OE1-CE2 3.31Å; A256-F259 PolarHBondContact O-N 3.3Å; F259-I262 PolarHBondContact O-N 2.9Å; F259-L263 HydrophobicContact CD1-CD1 4.24Å; F259-L263 WeakPolarHBondContact O-CB 3.43Å; F259-L263 PolarHBondContact O-N 3.24Å
260S86.7Confident90Very high27 Ų2750.5 Ų50.519%0.18926%0.26CS..Iπ-helixtrans-62.2-42.8174.5-62.80000111.9F181 A256 A257 F258 I262 V264 L265F181-S260 WeakPolarHBondContact CZ-OG 3.43Å; A256-S260 VanDerWaalsContact O-CB 3.3Å; A256-S260 WeakPolarHBondContact O-CB 3.43Å; A256-S260 PolarHBondContact O-N 2.87Å; A256-S260 PolarHBondContact O-OG 2.92Å; A257-S260 WeakPolarHBondContact O-CB 3.3Å; A257-S260 PolarHBondContact O-N 3.46Å; F258-S260 VanDerWaalsContact C-N 3.31Å; F258-S260 PolarHBondContact O-N 3.27Å; S260-I262 VanDerWaalsContact C-N 3.35Å; S260-I262 PolarHBondContact O-N 2.85Å; S260-V264 WeakPolarHBondContact O-CB 3.4Å; S260-V264 PolarHBondContact O-N 3.37Å; S260-V264 VanDerWaalsContact O-N 3.16Å; S260-L265 PolarHBondContact O-N 2.85Å
261Y88.8Confident89.6Confident167 Ų16750.6 Ų50.666%0.65526%0.261SS*.Iπ-helixtrans-70.8-26176.3-72.9-64.6000114.1A257 F258 L265A257-Y261 WeakPolarHBondContact O-CD2 3.5Å; A257-Y261 PolarHBondContact O-N 2.97Å; A257-Y261 VanDerWaalsContact O-N 3.16Å; F258-Y261 PolarHBondContact O-N 3.3Å; Y261-L265 HydrophobicContact CD1-CD2 4.1Å
262I90.1Very high89.1Confident70 Ų7053.3 Ų53.336%0.35928%0.281SS..Iπ-helixtrans-95.3-34.1-175.8-68.8176.2000113.2F258 F259 S260 P266 L304F258-I262 HydrophobicContact CD1-CD1 4.21Å; F258-I262 HydrophobicContact CD2-CD1 4.07Å; F258-I262 HydrophobicContact CE1-CD1 3.7Å; F258-I262 HydrophobicContact CE2-CD1 3.54Å; F258-I262 HydrophobicContact CG-CD1 4.39Å; F258-I262 HydrophobicContact CZ-CD1 3.34Å; F258-I262 PolarHBondContact O-N 3.31Å; F259-I262 PolarHBondContact O-N 2.9Å; S260-I262 VanDerWaalsContact C-N 3.35Å; S260-I262 PolarHBondContact O-N 2.85Å; I262-P266 WeakPolarHBondContact O-CG 3.19Å; I262-L304 HydrophobicContact CG2-CD2 4.07Å
263L88.9Confident88.8Confident3 Ų357.1 Ų57.12%0.01630%0.301CS..Iπ-helixtrans-107.5-53-176.8-59.5175.1000111.7F179 F259 C267 L304 L305 I319F179-L263 HydrophobicContact CE1-CD1 3.75Å; F179-L263 HydrophobicContact CZ-CD1 4.43Å; F259-L263 HydrophobicContact CD1-CD1 4.24Å; F259-L263 WeakPolarHBondContact O-CB 3.43Å; F259-L263 PolarHBondContact O-N 3.24Å; L263-C267 WeakPolarHBondContact O-CB 3.45Å; L263-C267 PolarHBondContact O-N 3.49Å; L263-L304 HydrophobicContact CD2-CD2 3.77Å; L263-L304 HydrophobicContact CD2-CG 4Å; L263-L305 HydrophobicContact CD1-CD1 4.38Å; L263-I319 HydrophobicContact CB-CD1 4.19Å
264V87.5Confident88.4Confident46 Ų4653.7 Ų53.728%0.27929%0.288SS..Iπ-helixtrans-72.9-45.1-173-174.10000111.6S260 C267 V268 I319S260-V264 WeakPolarHBondContact O-CB 3.4Å; S260-V264 PolarHBondContact O-N 3.37Å; S260-V264 VanDerWaalsContact O-N 3.16Å; V264-C267 WeakPolarHBondContact O-CB 3.32Å; V264-C267 PolarHBondContact O-N 3.3Å; V264-V268 HydrophobicContact CG1-CG2 4.42Å; V264-V268 WeakPolarHBondContact O-CG2 3.48Å; V264-V268 PolarHBondContact O-N 3.46Å; V264-I319 HydrophobicContact CG2-CD1 4.05Å
265L87.9Confident87.8Confident81 Ų8156.3 Ų56.342%0.42430%0.302SS..Hα-helixtrans-64-48.7-178.7176.763.4000113.1S260 Y261 C267 V268 L269S260-L265 PolarHBondContact O-N 2.85Å; Y261-L265 HydrophobicContact CD1-CD2 4.1Å; L265-C267 VanDerWaalsContact C-N 3.28Å; L265-C267 PolarHBondContact O-N 3.26Å; L265-V268 PolarHBondContact O-N 2.99Å; L265-L269 HydrophobicContact CD1-CD1 4.17Å; L265-L269 HydrophobicContact CD1-CG 4.28Å; L265-L269 HydrophobicContact CG-CD1 4.2Å; L265-L269 WeakPolarHBondContact O-CG 3.29Å; L265-L269 PolarHBondContact O-N 3.44Å; L265-L269 VanDerWaalsContact O-N 3.07Å
266P91.1Very high87.5Confident42 Ų4255 Ų5527%0.27330%0.297SS..Hα-helixtrans-64-32.5175.1-25.438.4000113I262 L269 L270 L301I262-P266 WeakPolarHBondContact O-CG 3.19Å; P266-L269 PolarHBondContact O-N 2.87Å; P266-L270 WeakPolarHBondContact O-CB 3.4Å; P266-L270 VanDerWaalsContact O-CG 3.31Å; P266-L270 WeakPolarHBondContact O-CG 3.47Å; P266-L270 PolarHBondContact O-N 3.3Å; P266-L301 HydrophobicContact CB-CD1 4.48Å; P266-L301 HydrophobicContact CB-CD2 4.47Å
267C89.6Confident87.1Confident6 Ų654.7 Ų54.74%0.04129%0.294CS..Hα-helixtrans-59.5-50.5172.3176.30000111.8L263 V264 L265 L269 L270 A271 L301 Y322 Y323L263-C267 WeakPolarHBondContact O-CB 3.45Å; L263-C267 PolarHBondContact O-N 3.49Å; V264-C267 WeakPolarHBondContact O-CB 3.32Å; V264-C267 PolarHBondContact O-N 3.3Å; L265-C267 VanDerWaalsContact C-N 3.28Å; L265-C267 PolarHBondContact O-N 3.26Å; C267-L269 VanDerWaalsContact C-N 3.32Å; C267-L269 PolarHBondContact O-N 2.9Å; C267-L270 PolarHBondContact O-N 2.84Å; C267-A271 WeakPolarHBondContact O-CB 3.45Å; C267-A271 PolarHBondContact O-N 3.47Å; C267-L301 HydrophobicContact CB-CD1 4.44Å; C267-Y322 WeakPolarHBondContact SG-CE1 3.39Å; C267-Y323 HydrophobicContact CB-CE1 3.88Å
268V86.8Confident86.5Confident84 Ų8452.6 Ų52.651%0.50928%0.276SS..Hα-helixtrans-61.9-38177.9171.50000111.9V264 L265 S272V264-V268 HydrophobicContact CG1-CG2 4.42Å; V264-V268 WeakPolarHBondContact O-CG2 3.48Å; V264-V268 PolarHBondContact O-N 3.46Å; L265-V268 PolarHBondContact O-N 2.99Å; V268-S272 PolarHBondContact O-N 2.84Å
269L90.6Very high85.9Confident96 Ų9655.7 Ų55.750%0.50328%0.283SS..Hα-helixtrans-70.3-40176.9-66.6171.9000112.7L265 P266 C267 S272 L273L265-L269 HydrophobicContact CD1-CD1 4.17Å; L265-L269 HydrophobicContact CD1-CG 4.28Å; L265-L269 HydrophobicContact CG-CD1 4.2Å; L265-L269 WeakPolarHBondContact O-CG 3.29Å; L265-L269 PolarHBondContact O-N 3.44Å; L265-L269 VanDerWaalsContact O-N 3.07Å; P266-L269 PolarHBondContact O-N 2.87Å; C267-L269 VanDerWaalsContact C-N 3.32Å; C267-L269 PolarHBondContact O-N 2.9Å; L269-S272 PolarHBondContact O-OG 3.1Å; L269-L273 WeakPolarHBondContact O-CG 3.43Å; L269-L273 PolarHBondContact O-N 3.33Å
270L91.7Very high85.7Confident31 Ų3156.2 Ų56.216%0.16229%0.288CS..Hα-helixtrans-69.2-37.4174.2-72.3169.5000111.9P266 C267 L273 T274 A297 F298 L301P266-L270 WeakPolarHBondContact O-CB 3.4Å; P266-L270 VanDerWaalsContact O-CG 3.31Å; P266-L270 WeakPolarHBondContact O-CG 3.47Å; P266-L270 PolarHBondContact O-N 3.3Å; C267-L270 PolarHBondContact O-N 2.84Å; L270-L273 PolarHBondContact O-N 3.39Å; L270-T274 WeakPolarHBondContact O-CG2 3.08Å; L270-T274 PolarHBondContact O-N 3.41Å; L270-A297 HydrophobicContact CD1-CB 3.65Å; L270-A297 HydrophobicContact CD2-CB 3.69Å; L270-A297 HydrophobicContact CG-CB 4.34Å; L270-F298 HydrophobicContact CB-CE1 4.23Å; L270-F298 HydrophobicContact CB-CE2 4.03Å; L270-F298 HydrophobicContact CB-CZ 3.76Å; L270-L301 HydrophobicContact CD1-CD1 3.66Å; L270-L301 HydrophobicContact CD1-CG 4.48Å
271A86Confident85.4Confident4 Ų458.3 Ų58.33%0.03330%0.301CS..Hα-helixtrans-59.3-49174.600000111.4C267 L273 T274C267-A271 WeakPolarHBondContact O-CB 3.45Å; C267-A271 PolarHBondContact O-N 3.47Å; A271-L273 VanDerWaalsContact C-N 3.33Å; A271-L273 PolarHBondContact O-N 2.87Å; A271-T274 WeakPolarHBondContact O-CB 3.38Å; A271-T274 PolarHBondContact O-N 3.26Å; A271-T274 PolarHBondContact O-OG1 3.33Å
272S84.5Confident84.7Confident60 Ų6050.8 Ų50.842%0.4227%0.272SS..Hα-helixtrans-64.6-34.9177.771.80000112.8V268 L269 T274 L275V268-S272 PolarHBondContact O-N 2.84Å; L269-S272 PolarHBondContact O-OG 3.1Å; S272-T274 PolarHBondContact O-N 3.03Å; S272-L275 WeakPolarHBondContact O-CB 3.47Å; S272-L275 PolarHBondContact O-N 3.11Å; S272-L275 VanDerWaalsContact O-N 3.11Å
273L88Confident84Confident80 Ų8052.9 Ų52.942%0.41928%0.28SS..Hα-helixtrans-63.2-22.4172.6-73.1170.6000113.5L269 L270 A271 L275 V276 I294L269-L273 WeakPolarHBondContact O-CG 3.43Å; L269-L273 PolarHBondContact O-N 3.33Å; L270-L273 PolarHBondContact O-N 3.39Å; A271-L273 VanDerWaalsContact C-N 3.33Å; A271-L273 PolarHBondContact O-N 2.87Å; L273-L275 PolarHBondContact O-N 3.33Å; L273-V276 HydrophobicContact CD2-CG2 4.43Å; L273-V276 WeakPolarHBondContact O-CB 3.22Å; L273-V276 PolarHBondContact O-N 2.87Å; L273-I294 HydrophobicContact CB-CD1 3.76Å
274T84.3Confident83.7Confident0 Ų054.6 Ų54.60%029%0.293CS..Hα-helixtrans-64.9-28.8173.371.80000112.8L270 A271 S272 V276 I277 F278 I294 F298 I330 Y752L270-T274 WeakPolarHBondContact O-CG2 3.08Å; L270-T274 PolarHBondContact O-N 3.41Å; A271-T274 WeakPolarHBondContact O-CB 3.38Å; A271-T274 PolarHBondContact O-N 3.26Å; A271-T274 PolarHBondContact O-OG1 3.33Å; S272-T274 PolarHBondContact O-N 3.03Å; T274-V276 PolarHBondContact O-N 2.89Å; T274-I277 VanDerWaalsContact O-CB 3.31Å; T274-I277 WeakPolarHBondContact O-CB 3.34Å; T274-I277 PolarHBondContact O-N 2.96Å; T274-F278 WeakPolarHBondContact O-CD2 3.31Å; T274-I294 HydrophobicContact CG2-CG2 4.05Å; T274-F298 HydrophobicContact CG2-CE2 4.42Å; T274-I330 HydrophobicContact CG2-CD1 4.17Å; T274-I330 HydrophobicContact CG2-CG1 4.38Å; T274-Y752 WeakPolarHBondContact CB-OH 3.49Å; T274-Y752 WeakPolarHBondContact CG2-OH 3.43Å; T274-Y752 PolarHBondContact OG1-OH 3.43Å
275L80.1Confident83.6Confident64 Ų6457.1 Ų57.134%0.33531%0.31SS..Hα-helixtrans-64.5-31177-56.1175.6000111.6S272 L273 I277 F278S272-L275 WeakPolarHBondContact O-CB 3.47Å; S272-L275 PolarHBondContact O-N 3.11Å; S272-L275 VanDerWaalsContact O-N 3.11Å; L273-L275 PolarHBondContact O-N 3.33Å; L275-I277 VanDerWaalsContact C-N 3.3Å; L275-I277 PolarHBondContact O-N 2.67Å; L275-F278 PolarHBondContact O-N 3.38Å
276V83.3Confident83.6Confident63 Ų6355.6 Ų55.638%0.38231%0.309SS..Hα-helixtrans-67.4-29.2178.6-173.10000111.8L273 T274 F278 W279 L280 L290L273-V276 HydrophobicContact CD2-CG2 4.43Å; L273-V276 WeakPolarHBondContact O-CB 3.22Å; L273-V276 PolarHBondContact O-N 2.87Å; T274-V276 PolarHBondContact O-N 2.89Å; V276-F278 PolarHBondContact O-N 3.45Å; V276-W279 PolarHBondContact O-N 3.19Å; V276-L280 HydrophobicContact CG1-CD1 4.18Å; V276-L280 PolarHBondContact O-N 3.4Å; V276-L290 HydrophobicContact CB-CD2 4.43Å; V276-L290 HydrophobicContact CG1-CD2 4.37Å
277I80.9Confident83.3Confident5 Ų553.8 Ų53.83%0.02630%0.297CS..Hα-helixtrans-56.1-36175.5-59.2173.5000110.7T274 L275 K287 L290 I294T274-I277 VanDerWaalsContact O-CB 3.31Å; T274-I277 WeakPolarHBondContact O-CB 3.34Å; T274-I277 PolarHBondContact O-N 2.96Å; L275-I277 VanDerWaalsContact C-N 3.3Å; L275-I277 PolarHBondContact O-N 2.67Å; I277-K287 HydrophobicContact CG2-CG 3.79Å; I277-K287 WeakPolarHBondContact O-CD 3.27Å; I277-K287 WeakPolarHBondContact O-CE 3.38Å; I277-L290 HydrophobicContact CG1-CD2 3.79Å; I277-L290 HydrophobicContact CG1-CG 4.03Å; I277-I294 HydrophobicContact CD1-CD1 4.26Å
278F72.9Confident83.1Confident3 Ų356.8 Ų56.81%0.01331%0.311CS..THydrogen-bonded Turntrans-88.5-8.1-178.9-57-82.5000114T274 L275 V276 S333 R746 F749 Y752T274-F278 WeakPolarHBondContact O-CD2 3.31Å; L275-F278 PolarHBondContact O-N 3.38Å; V276-F278 PolarHBondContact O-N 3.45Å; F278-S333 WeakPolarHBondContact CE1-OG 3.36Å; F278-S333 WeakPolarHBondContact CZ-OG 3.08Å; F278-R746 PolarHBondContact O-NH1 3.21Å; F278-F749 HydrophobicContact CB-CB 4.01Å; F278-F749 HydrophobicContact CB-CD2 3.29Å; F278-F749 HydrophobicContact CB-CE2 3.92Å; F278-F749 HydrophobicContact CB-CG 3.8Å; F278-F749 HydrophobicContact CD1-CB 3.7Å; F278-F749 HydrophobicContact CD1-CD2 4Å; F278-F749 HydrophobicContact CD1-CG 4.3Å; F278-F749 AromaticContact CD2-CD2 3.77Å; F278-F749 HydrophobicContact CD2-CD2 3.77Å; F278-F749 HydrophobicContact CD2-CE2 4.36Å; F278-F749 HydrophobicContact CE1-CB 4.45Å; F278-F749 HydrophobicContact CG-CB 3.99Å; F278-F749 AromaticContact CG-CD2 3.41Å; F278-F749 HydrophobicContact CG-CD2 3.41Å; F278-F749 VanDerWaalsContact CG-CD2 3.41Å; F278-F749 HydrophobicContact CG-CE2 4.28Å; F278-F749 HydrophobicContact CG-CG 4.07Å; F278-Y752 HydrophobicContact CD2-CD1 4.4Å; F278-Y752 HydrophobicContact CE1-CG 4.4Å; F278-Y752 AromaticContact CE2-CD1 3.48Å; F278-Y752 HydrophobicContact CE2-CD1 3.48Å; F278-Y752 VanDerWaalsContact CE2-CD1 3.48Å; F278-Y752 AromaticContact CE2-CD2 3.88Å; F278-Y752 HydrophobicContact CE2-CD2 3.88Å; F278-Y752 AromaticContact CE2-CE1 3.74Å; F278-Y752 HydrophobicContact CE2-CE1 3.74Å; F278-Y752 HydrophobicContact CE2-CE2 4.05Å; F278-Y752 AromaticContact CE2-CG 3.59Å; F278-Y752 HydrophobicContact CE2-CG 3.59Å; F278-Y752 AromaticContact CZ-CD1 3.85Å; F278-Y752 HydrophobicContact CZ-CD1 3.85Å; F278-Y752 AromaticContact CZ-CD2 3.45Å; F278-Y752 HydrophobicContact CZ-CD2 3.45Å; F278-Y752 VanDerWaalsContact CZ-CD2 3.45Å; F278-Y752 HydrophobicContact CZ-CE1 4.33Å; F278-Y752 AromaticContact CZ-CE2 3.92Å; F278-Y752 HydrophobicContact CZ-CE2 3.92Å; F278-Y752 AromaticContact CZ-CG 3.4Å; F278-Y752 HydrophobicContact CZ-CG 3.4Å; F278-Y752 VanDerWaalsContact CZ-CG 3.4Å
279W77.8Confident83.2Confident204 Ų20456.7 Ų56.777%0.77331%0.311SS*.THydrogen-bonded Turntrans-82-30.9167.1-84.862.7000111.8V276V276-W279 PolarHBondContact O-N 3.19Å
280L82.9Confident83.2Confident44 Ų4454.4 Ų54.423%0.2330%0.299CS..SBendtrans-67.2133.7174.3-9467.3000111.5V276 A286 K287V276-L280 HydrophobicContact CG1-CD1 4.18Å; V276-L280 PolarHBondContact O-N 3.4Å; L280-A286 HydrophobicContact CD2-CB 3.84Å; L280-K287 HydrophobicContact CB-CB 4.13Å; L280-K287 HydrophobicContact CB-CG 4.39Å; L280-K287 HydrophobicContact CD2-CB 4.25Å
281P79.3Confident83.1Confident72 Ų7253 Ų5347%0.46829%0.292SS..  trans-65.1144.1174.828.1-34.4000110.3E283 S284P281-E283 PolarHBondContact O-N 2.95Å; P281-S284 PolarHBondContact O-N 2.93Å
282P75.2Confident83.3Confident9 Ų958.7 Ų58.76%0.05832%0.319CS..THydrogen-bonded Turntrans-64.3-13.4-17926.7-35000113.7S284 V340 I341P282-S284 PolarHBondContact O-N 3.17Å; P282-V340 HydrophobicContact CB-CG1 3.61Å; P282-V340 HydrophobicContact CG-CG1 3.87Å; P282-I341 VanDerWaalsContact O-CG1 3.3Å; P282-I341 WeakPolarHBondContact O-CG1 3.32Å
283E75.2Confident83.7Confident113 Ų11360.7 Ų60.753%0.52833%0.325SS..THydrogen-bonded Turntrans-66.2-23.9171.4-54-173.5-177.500113.3P281 Y344P281-E283 PolarHBondContact O-N 2.95Å; E283-Y344 HydrophobicContact CG-CD2 4.3Å; E283-Y344 HydrophobicContact CG-CE1 4.47Å; E283-Y344 HydrophobicContact CG-CE2 3.58Å; E283-Y344 WeakPolarHBondContact OE1-CE2 3.42Å; E283-Y344 PolarHBondContact OE1-OH 2.91Å
284S83.2Confident83.9Confident40 Ų4057.1 Ų57.128%0.2831%0.307SS..  trans-89.1121.9-172.2-175.60000112.2P281 P282 A286 K287P281-S284 PolarHBondContact O-N 2.93Å; P282-S284 PolarHBondContact O-N 3.17Å; S284-A286 PolarHBondContact O-N 2.99Å; S284-A286 VanDerWaalsContact O-N 3.12Å; S284-A286 PolarHBondContact OG-N 2.69Å; S284-K287 WeakPolarHBondContact O-CB 3.21Å; S284-K287 PolarHBondContact O-N 2.92Å; S284-K287 VanDerWaalsContact O-N 3.07Å
285P84.4Confident84.4Confident99 Ų9960.6 Ų60.664%0.64332%0.322SS*.THydrogen-bonded Turntrans-63.5-19.8176.327.4-34.8000112.7K287 M288 V289P285-K287 PolarHBondContact O-N 2.96Å; P285-M288 PolarHBondContact O-N 3Å; P285-V289 PolarHBondContact O-N 3.4Å
286A87Confident85.1Confident48 Ų4861.3 Ų61.340%0.39733%0.329SS..Hα-helixtrans-59.9-27174.300000112.8L280 S284 V289 L290L280-A286 HydrophobicContact CD2-CB 3.84Å; S284-A286 PolarHBondContact O-N 2.99Å; S284-A286 VanDerWaalsContact O-N 3.12Å; S284-A286 PolarHBondContact OG-N 2.69Å; A286-V289 PolarHBondContact O-N 3.37Å; A286-L290 VanDerWaalsContact O-CB 3.3Å; A286-L290 WeakPolarHBondContact O-CB 3.38Å; A286-L290 PolarHBondContact O-N 3.4Å
287K85Confident85.6Confident5 Ų559.6 Ų59.62%0.02232%0.321CS..Hα-helixtrans-61.2-45.2176.1-174.7172.4-179.8162.50111.8I277 L280 S284 P285 G291 D745I277-K287 HydrophobicContact CG2-CG 3.79Å; I277-K287 WeakPolarHBondContact O-CD 3.27Å; I277-K287 WeakPolarHBondContact O-CE 3.38Å; L280-K287 HydrophobicContact CB-CB 4.13Å; L280-K287 HydrophobicContact CB-CG 4.39Å; L280-K287 HydrophobicContact CD2-CB 4.25Å; S284-K287 WeakPolarHBondContact O-CB 3.21Å; S284-K287 PolarHBondContact O-N 2.92Å; S284-K287 VanDerWaalsContact O-N 3.07Å; P285-K287 PolarHBondContact O-N 2.96Å; K287-G291 PolarHBondContact O-N 3.38Å; K287-G291 VanDerWaalsContact O-N 3.14Å; K287-D745 IonicContact NZ-OD1 3.22Å; K287-D745 PolarHBondContact NZ-OD1 3.34Å; K287-D745 IonicContact NZ-OD2 3.08Å; K287-D745 PolarHBondContact NZ-OD2 3.45Å
288M85.2Confident86.2Confident68 Ų6859.3 Ų59.334%0.33532%0.32SS..Hα-helixtrans-70.1-42177.8-67.5-17765.900111.9P285 L290 G291 M292 V338 I341P285-M288 PolarHBondContact O-N 3Å; M288-L290 PolarHBondContact O-N 3.38Å; M288-G291 PolarHBondContact O-N 2.94Å; M288-M292 WeakPolarHBondContact O-CG 3.41Å; M288-M292 PolarHBondContact O-N 3.4Å; M288-V338 HydrophobicContact CE-CG2 3.48Å; M288-V338 VanDerWaalsContact CE-CG2 3.48Å; M288-V338 HydrophobicContact SD-CG2 4.09Å; M288-I341 HydrophobicContact CG-CD1 4.46Å; M288-I341 HydrophobicContact SD-CD1 3.84Å
289V90.5Very high87.3Confident82 Ų8264 Ų6450%0.49734%0.34SS..Hα-helixtrans-63-42.4178176.80000111.3P285 A286 M292 N293P285-V289 PolarHBondContact O-N 3.4Å; A286-V289 PolarHBondContact O-N 3.37Å; V289-M292 PolarHBondContact O-N 3.32Å; V289-N293 WeakPolarHBondContact O-CB 3.45Å; V289-N293 PolarHBondContact O-N 2.98Å; V289-N293 PolarHBondContact O-ND2 3.04Å
290L90.3Very high88.1Confident48 Ų4859.2 Ų59.225%0.25133%0.329SS..Hα-helixtrans-62.3-45.8175.6-178.165.7000111.4V276 I277 A286 M288 M292 N293 I294V276-L290 HydrophobicContact CB-CD2 4.43Å; V276-L290 HydrophobicContact CG1-CD2 4.37Å; I277-L290 HydrophobicContact CG1-CD2 3.79Å; I277-L290 HydrophobicContact CG1-CG 4.03Å; A286-L290 VanDerWaalsContact O-CB 3.3Å; A286-L290 WeakPolarHBondContact O-CB 3.38Å; A286-L290 PolarHBondContact O-N 3.4Å; M288-L290 PolarHBondContact O-N 3.38Å; L290-M292 PolarHBondContact O-N 3.16Å; L290-N293 PolarHBondContact O-N 3.36Å; L290-I294 HydrophobicContact CD1-CD1 3.99Å; L290-I294 HydrophobicContact CD1-CG1 4.36Å; L290-I294 HydrophobicContact CG-CD1 4.06Å; L290-I294 WeakPolarHBondContact O-CG1 3.38Å; L290-I294 PolarHBondContact O-N 3.42Å
291G89Confident88.5Confident2 Ų258 Ų582%0.02132%0.323CS..Hα-helixtrans-58.7-46.1175.900000113.1K287 M288 N293 I294 F295 I330K287-G291 PolarHBondContact O-N 3.38Å; K287-G291 VanDerWaalsContact O-N 3.14Å; M288-G291 PolarHBondContact O-N 2.94Å; G291-N293 PolarHBondContact O-N 2.95Å; G291-I294 PolarHBondContact O-N 2.96Å; G291-F295 PolarHBondContact O-N 3.32Å; G291-I330 WeakPolarHBondContact O-CG2 3.36Å
292M90.6Very high89.2Confident124 Ų12456.8 Ų56.861%0.61131%0.312SS*.Hα-helixtrans-62.9-41.4176.3-71.3-179.76800112.5M288 V289 L290 F295 V296M288-M292 WeakPolarHBondContact O-CG 3.41Å; M288-M292 PolarHBondContact O-N 3.4Å; V289-M292 PolarHBondContact O-N 3.32Å; L290-M292 PolarHBondContact O-N 3.16Å; M292-F295 PolarHBondContact O-N 3.24Å; M292-V296 WeakPolarHBondContact O-CG2 3.47Å; M292-V296 PolarHBondContact O-N 3.41Å
293N92.9Very high90Very high101 Ų10160.2 Ų60.254%0.5433%0.33SS..Hα-helixtrans-65.9-40.6178.9-71.7-11.3000112.1V289 L290 G291 V296 A297V289-N293 WeakPolarHBondContact O-CB 3.45Å; V289-N293 PolarHBondContact O-N 2.98Å; V289-N293 PolarHBondContact O-ND2 3.04Å; L290-N293 PolarHBondContact O-N 3.36Å; G291-N293 PolarHBondContact O-N 2.95Å; N293-V296 PolarHBondContact O-N 3.31Å; N293-A297 PolarHBondContact O-N 3.35Å
294I92.6Very high90.8Very high6 Ų658.3 Ų58.33%0.03132%0.323CS..Hα-helixtrans-70.3-35.2176.9-62.7174.6000111.1L273 T274 I277 L290 G291 A297 F298 I330L273-I294 HydrophobicContact CB-CD1 3.76Å; T274-I294 HydrophobicContact CG2-CG2 4.05Å; I277-I294 HydrophobicContact CD1-CD1 4.26Å; L290-I294 HydrophobicContact CD1-CD1 3.99Å; L290-I294 HydrophobicContact CD1-CG1 4.36Å; L290-I294 HydrophobicContact CG-CD1 4.06Å; L290-I294 WeakPolarHBondContact O-CG1 3.38Å; L290-I294 PolarHBondContact O-N 3.42Å; G291-I294 PolarHBondContact O-N 2.96Å; I294-A297 PolarHBondContact O-N 3.42Å; I294-F298 HydrophobicContact CG2-CD2 3.73Å; I294-F298 HydrophobicContact CG2-CE2 3.58Å; I294-F298 WeakPolarHBondContact O-CD2 3.49Å; I294-F298 PolarHBondContact O-N 2.93Å; I294-I330 HydrophobicContact CB-CD1 4.43Å; I294-I330 HydrophobicContact CG2-CD1 3.76Å
295F93.3Very high91.1Very high72 Ų7256.6 Ų56.632%0.31631%0.31SS..Hα-helixtrans-57.9-48.3170.9-179-83.5000111.7G291 M292 A297 F298 F299 M327 I330 T331G291-F295 PolarHBondContact O-N 3.32Å; M292-F295 PolarHBondContact O-N 3.24Å; F295-A297 VanDerWaalsContact C-N 3.3Å; F295-A297 PolarHBondContact O-N 3.48Å; F295-F298 PolarHBondContact O-N 3.28Å; F295-F299 PolarHBondContact O-N 3.16Å; F295-M327 HydrophobicContact CD2-CB 4.06Å; F295-M327 HydrophobicContact CD2-CG 3.99Å; F295-M327 HydrophobicContact CE2-CB 3.74Å; F295-M327 HydrophobicContact CE2-CG 3.93Å; F295-M327 HydrophobicContact CE2-SD 4.34Å; F295-M327 HydrophobicContact CZ-CG 4.49Å; F295-M327 HydrophobicContact CZ-SD 4.32Å; F295-I330 HydrophobicContact CB-CG2 4.01Å; F295-T331 WeakPolarHBondContact CE2-OG1 3.22Å
296V95.4Very high91.3Very high79 Ų7954.3 Ų54.348%0.47930%0.3SS..Hα-helixtrans-62.7-37.5177173.20000111.3M292 N293 F299 L300M292-V296 WeakPolarHBondContact O-CG2 3.47Å; M292-V296 PolarHBondContact O-N 3.41Å; N293-V296 PolarHBondContact O-N 3.31Å; V296-F299 PolarHBondContact O-N 3.36Å; V296-L300 HydrophobicContact CG1-CD1 4.19Å; V296-L300 HydrophobicContact CG1-CG 4.47Å; V296-L300 WeakPolarHBondContact O-CG 3.27Å; V296-L300 PolarHBondContact O-N 2.69Å
297A94.7Very high91.3Very high27 Ų2756 Ų5622%0.22330%0.302CS..Hα-helixtrans-64.4-43.5176.300000112.8L270 N293 I294 F295 L300 L301L270-A297 HydrophobicContact CD1-CB 3.65Å; L270-A297 HydrophobicContact CD2-CB 3.69Å; L270-A297 HydrophobicContact CG-CB 4.34Å; N293-A297 PolarHBondContact O-N 3.35Å; I294-A297 PolarHBondContact O-N 3.42Å; F295-A297 VanDerWaalsContact C-N 3.3Å; F295-A297 PolarHBondContact O-N 3.48Å; A297-L300 PolarHBondContact O-N 3.27Å; A297-L301 PolarHBondContact O-N 3.44Å
298F93.7Very high91.2Very high0 Ų058 Ų580%032%0.316CS..Hα-helixtrans-66.1-35173-81-64.2000112.8L270 T274 I294 F295 L301 L302 Y323 N326 M327 I330L270-F298 HydrophobicContact CB-CE1 4.23Å; L270-F298 HydrophobicContact CB-CE2 4.03Å; L270-F298 HydrophobicContact CB-CZ 3.76Å; T274-F298 HydrophobicContact CG2-CE2 4.42Å; I294-F298 HydrophobicContact CG2-CD2 3.73Å; I294-F298 HydrophobicContact CG2-CE2 3.58Å; I294-F298 WeakPolarHBondContact O-CD2 3.49Å; I294-F298 PolarHBondContact O-N 2.93Å; F295-F298 PolarHBondContact O-N 3.28Å; F298-L301 HydrophobicContact CD1-CD1 4.49Å; F298-L301 PolarHBondContact O-N 3.27Å; F298-L302 PolarHBondContact O-N 3.32Å; F298-Y323 AromaticContact CD1-CD1 3.99Å; F298-Y323 HydrophobicContact CD1-CD1 3.99Å; F298-Y323 HydrophobicContact CE1-CD1 4.31Å; F298-N326 HydrophobicContact CD1-CB 4.47Å; F298-N326 HydrophobicContact CD2-CB 4.14Å; F298-N326 HydrophobicContact CE1-CB 4.27Å; F298-N326 HydrophobicContact CE2-CB 3.92Å; F298-N326 HydrophobicContact CG-CB 4.42Å; F298-N326 HydrophobicContact CZ-CB 3.99Å; F298-M327 HydrophobicContact CB-CG 3.83Å; F298-M327 HydrophobicContact CB-SD 4.33Å; F298-I330 HydrophobicContact CD2-CD1 3.7Å; F298-I330 HydrophobicContact CE2-CD1 3.88Å
299F94.4Very high91.1Very high100 Ų10055.4 Ų55.444%0.43931%0.305SS..Hα-helixtrans-63.9-42173.8-178.2-106.3000111.9F295 V296 L302 L303 M327F295-F299 PolarHBondContact O-N 3.16Å; V296-F299 PolarHBondContact O-N 3.36Å; F299-L302 PolarHBondContact O-N 2.89Å; F299-L303 HydrophobicContact CD1-CD1 4.16Å; F299-L303 HydrophobicContact CE1-CD1 3.68Å; F299-L303 HydrophobicContact CE1-CG 4.18Å; F299-L303 HydrophobicContact CZ-CD1 4.17Å; F299-L303 HydrophobicContact CZ-CD2 4.28Å; F299-L303 HydrophobicContact CZ-CG 4.28Å; F299-L303 WeakPolarHBondContact O-CG 3.4Å; F299-L303 PolarHBondContact O-N 2.82Å; F299-M327 HydrophobicContact CB-SD 4.04Å; F299-M327 HydrophobicContact CD2-SD 4.47Å
300L94.6Very high90.8Very high105 Ų10551.8 Ų51.855%0.5528%0.283SS..Hα-helixtrans-64.7-37.6174.4-70.1170.8000112.6V296 A297 L303 L304V296-L300 HydrophobicContact CG1-CD1 4.19Å; V296-L300 HydrophobicContact CG1-CG 4.47Å; V296-L300 WeakPolarHBondContact O-CG 3.27Å; V296-L300 PolarHBondContact O-N 2.69Å; A297-L300 PolarHBondContact O-N 3.27Å; L300-L303 PolarHBondContact O-N 3.16Å; L300-L304 PolarHBondContact O-N 3.32Å
301L93Very high90Very high18 Ų1857.4 Ų57.49%0.09431%0.308CS..Hα-helixtrans-66.7-35.2172.4-73.4-179.5000112.6P266 C267 L270 A297 F298 L304 L305 Y323P266-L301 HydrophobicContact CB-CD1 4.48Å; P266-L301 HydrophobicContact CB-CD2 4.47Å; C267-L301 HydrophobicContact CB-CD1 4.44Å; L270-L301 HydrophobicContact CD1-CD1 3.66Å; L270-L301 HydrophobicContact CD1-CG 4.48Å; A297-L301 PolarHBondContact O-N 3.44Å; F298-L301 HydrophobicContact CD1-CD1 4.49Å; F298-L301 PolarHBondContact O-N 3.27Å; L301-L304 PolarHBondContact O-N 2.96Å; L301-L305 WeakPolarHBondContact O-CB 3.25Å; L301-L305 PolarHBondContact O-N 3.5Å; L301-Y323 HydrophobicContact CB-CD2 4.39Å; L301-Y323 HydrophobicContact CB-CE1 4.34Å; L301-Y323 HydrophobicContact CB-CE2 3.86Å; L301-Y323 HydrophobicContact CD1-CE1 4.29Å; L301-Y323 WeakPolarHBondContact O-CE2 3.2Å
302L92.6Very high88.8Confident47 Ų4761 Ų6125%0.24634%0.337CS..Hα-helixtrans-68-38.2174-178.262.5000111.9F298 F299 L305 A306 Y323 M327F298-L302 PolarHBondContact O-N 3.32Å; F299-L302 PolarHBondContact O-N 2.89Å; L302-L305 HydrophobicContact CD1-CD2 4.35Å; L302-L305 PolarHBondContact O-N 2.95Å; L302-A306 WeakPolarHBondContact O-CB 3.28Å; L302-A306 PolarHBondContact O-N 2.89Å; L302-Y323 HydrophobicContact CB-CD2 4.08Å; L302-Y323 HydrophobicContact CD1-CD2 4.18Å; L302-M327 HydrophobicContact CB-CE 4.19Å; L302-M327 HydrophobicContact CD2-CE 3.69Å
303L92.6Very high87.7Confident81 Ų8157.1 Ų57.142%0.42432%0.323SS..Hα-helixtrans-62.8-44.5173-70.2178.5000111.7F299 L300 L305 A306 D307F299-L303 HydrophobicContact CD1-CD1 4.16Å; F299-L303 HydrophobicContact CE1-CD1 3.68Å; F299-L303 HydrophobicContact CE1-CG 4.18Å; F299-L303 HydrophobicContact CZ-CD1 4.17Å; F299-L303 HydrophobicContact CZ-CD2 4.28Å; F299-L303 HydrophobicContact CZ-CG 4.28Å; F299-L303 WeakPolarHBondContact O-CG 3.4Å; F299-L303 PolarHBondContact O-N 2.82Å; L300-L303 PolarHBondContact O-N 3.16Å; L303-L305 VanDerWaalsContact C-N 3.31Å; L303-L305 PolarHBondContact O-N 3.33Å; L303-A306 PolarHBondContact O-N 3.35Å; L303-A306 VanDerWaalsContact O-N 3.13Å; L303-D307 PolarHBondContact O-N 2.93Å
304L91.6Very high86.6Confident73 Ų7359.1 Ų59.138%0.38233%0.333SS..Hα-helixtrans-60.9-40.4176.4-177.560.9000112I262 L263 L300 L301 S308I262-L304 HydrophobicContact CG2-CD2 4.07Å; L263-L304 HydrophobicContact CD2-CD2 3.77Å; L263-L304 HydrophobicContact CD2-CG 4Å; L300-L304 PolarHBondContact O-N 3.32Å; L301-L304 PolarHBondContact O-N 2.96Å; L304-S308 PolarHBondContact O-N 2.72Å; L304-S308 PolarHBondContact O-OG 3Å
305L89.9Confident85.9Confident4 Ų460.2 Ų60.22%0.02134%0.341CS..Hα-helixtrans-65.5-38.2173.8-179.766.4000112.2F179 L263 L301 L302 L303 S308 T309 P317 I319 Y323F179-L305 HydrophobicContact CD1-CD1 3.9Å; F179-L305 HydrophobicContact CE1-CD1 3.82Å; L263-L305 HydrophobicContact CD1-CD1 4.38Å; L301-L305 WeakPolarHBondContact O-CB 3.25Å; L301-L305 PolarHBondContact O-N 3.5Å; L302-L305 HydrophobicContact CD1-CD2 4.35Å; L302-L305 PolarHBondContact O-N 2.95Å; L303-L305 VanDerWaalsContact C-N 3.31Å; L303-L305 PolarHBondContact O-N 3.33Å; L305-S308 CarbonylContact O-C 3.53Å; L305-S308 PolarHBondContact O-N 3.32Å; L305-T309 HydrophobicContact CD1-CG2 4.18Å; L305-T309 WeakPolarHBondContact O-CG2 3.37Å; L305-T309 PolarHBondContact O-N 3.49Å; L305-T309 PolarHBondContact O-OG1 3.36Å; L305-P317 HydrophobicContact CD1-CG 4.23Å; L305-P317 HydrophobicContact CD2-CG 3.99Å; L305-P317 HydrophobicContact CG-CG 4.31Å; L305-I319 HydrophobicContact CD1-CG2 4.05Å; L305-I319 HydrophobicContact CD2-CG2 3.94Å; L305-Y323 HydrophobicContact CB-CE2 4.11Å; L305-Y323 HydrophobicContact CD2-CD2 3.94Å; L305-Y323 HydrophobicContact CD2-CE2 3.78Å
306A88.6Confident85.4Confident51 Ų5160.1 Ų60.142%0.42135%0.347SS..Hα-helixtrans-70.8-34179.200000112.7L302 L303 S308L302-A306 WeakPolarHBondContact O-CB 3.28Å; L302-A306 PolarHBondContact O-N 2.89Å; L303-A306 PolarHBondContact O-N 3.35Å; L303-A306 VanDerWaalsContact O-N 3.13Å; A306-S308 VanDerWaalsContact C-N 3.28Å
307D86.5Confident85.1Confident84 Ų8456.6 Ų56.645%0.44933%0.325SS..Hα-helixtrans-68.4-26.9171.3-86.2-11.1000112L303 T513L303-D307 PolarHBondContact O-N 2.93Å; D307-T513 PolarHBondContact OD2-OG1 3.42Å
308S82.8Confident84.7Confident45 Ų4559.9 Ų59.932%0.31533%0.333SS..THydrogen-bonded Turntrans-95.39.9178.3-58.20000115.6L304 L305 A306L304-S308 PolarHBondContact O-N 2.72Å; L304-S308 PolarHBondContact O-OG 3Å; L305-S308 CarbonylContact O-C 3.53Å; L305-S308 PolarHBondContact O-N 3.32Å; A306-S308 VanDerWaalsContact C-N 3.28Å
309T83.9Confident84.4Confident15 Ų1560.5 Ų60.59%0.09234%0.336CS..SBendtrans-134.8151.4-177.548.50000112.8I176 L305 Q311I176-T309 HydrophobicContact CD1-CG2 3.88Å; L305-T309 HydrophobicContact CD1-CG2 4.18Å; L305-T309 WeakPolarHBondContact O-CG2 3.37Å; L305-T309 PolarHBondContact O-N 3.49Å; L305-T309 PolarHBondContact O-OG1 3.36Å; T309-Q311 PolarHBondContact O-N 2.95Å
310P82.9Confident84.2Confident5 Ų555.8 Ų55.83%0.03232%0.315CS..  trans-56.1123.6175.27.1-19000113.5E89 I176 A312 S313E89-P310 WeakPolarHBondContact O-CB 3.48Å; E89-P310 WeakPolarHBondContact O-CG 3.42Å; I176-P310 HydrophobicContact CD1-CG 4.23Å; I176-P310 HydrophobicContact CG2-CG 4.03Å; P310-A312 PolarHBondContact O-N 2.89Å; P310-A312 VanDerWaalsContact O-N 3.14Å; P310-S313 PolarHBondContact O-N 3.27Å; P310-S313 PolarHBondContact O-OG 2.98Å
311Q74.1Confident84Confident166 Ų16657.3 Ų57.378%0.77632%0.315SS*.THydrogen-bonded Turntrans-59.8-21.7173.4-60.7-175.4-9.200112.4T309T309-Q311 PolarHBondContact O-N 2.95Å
312A63.7Low83.8Confident78 Ų7857.2 Ų57.265%0.64531%0.313SS*.THydrogen-bonded Turntrans-119.858.9174.800000111.2Q92 P310Q92-A312 PolarHBondContact NE2-O 3.06Å; P310-A312 PolarHBondContact O-N 2.89Å; P310-A312 VanDerWaalsContact O-N 3.14Å
313S67Low83.8Confident43 Ų4355 Ų5530%0.30130%0.302SS..  trans-85.7143.5170.4480000111.6P310 S315P310-S313 PolarHBondContact O-N 3.27Å; P310-S313 PolarHBondContact O-OG 2.98Å; S313-S315 PolarHBondContact O-N 3.47Å
314N70.5Confident83.7Confident143 Ų14353.7 Ų53.777%0.76530%0.298SS*.SBendtrans-72.5-7.8173.1-73.9-22.7000113.2
315S77.4Confident83.6Confident28 Ų2853.1 Ų53.120%0.19630%0.295CS..SBendtrans-163.8132.5-171.846.20000110.8I176 K177 S313I176-S315 WeakPolarHBondContact CG1-O 3.26Å; K177-S315 VanDerWaalsContact CE-OG 3.27Å; K177-S315 WeakPolarHBondContact CE-OG 3.39Å; K177-S315 WeakPolarHBondContact CG-OG 3.31Å; S313-S315 PolarHBondContact O-N 3.47Å
316V82.7Confident83.6Confident71 Ų7152.9 Ų52.943%0.4329%0.294SS..  trans-72.1141.6174.21780000109.6Y321V316-Y321 HydrophobicContact CB-CD2 4.29Å; V316-Y321 HydrophobicContact CB-CE2 3.7Å; V316-Y321 HydrophobicContact CG1-CD2 4.19Å; V316-Y321 HydrophobicContact CG1-CE2 4.1Å; V316-Y321 WeakPolarHBondContact O-CE2 3.18Å
317P88.9Confident83.7Confident5 Ų551.3 Ų51.33%0.03228%0.279CS..  trans-65.2148.7176.528.3-38.1000112.3I176 F179 L305 I319 G320 Y321I176-P317 WeakPolarHBondContact O-CB 3.32Å; F179-P317 HydrophobicContact CB-CB 4.31Å; L305-P317 HydrophobicContact CD1-CG 4.23Å; L305-P317 HydrophobicContact CD2-CG 3.99Å; L305-P317 HydrophobicContact CG-CG 4.31Å; P317-I319 VanDerWaalsContact C-N 3.27Å; P317-I319 HydrophobicContact CB-CG2 4.2Å; P317-I319 HydrophobicContact CG-CG2 4.49Å; P317-I319 PolarHBondContact O-N 2.95Å; P317-G320 WeakPolarHBondContact O-CA 3.26Å; P317-G320 PolarHBondContact O-N 2.96Å; P317-Y321 PolarHBondContact O-N 3.31Å
318Y87.6Confident84Confident96 Ų9652.9 Ų52.938%0.37629%0.286SS..Hα-helixtrans-58.7-35.1-178.7-68.9-56.5000113.5K177 G320 Y321 Y322K177-Y318 HydrophobicContact CB-CE2 4.11Å; K177-Y318 WeakPolarHBondContact O-CD2 3.39Å; K177-Y318 PolarHBondContact O-N 3.13Å; Y318-G320 VanDerWaalsContact C-N 3.29Å; Y318-G320 PolarHBondContact O-N 3.43Å; Y318-Y321 PolarHBondContact O-N 3.24Å; Y318-Y322 PolarHBondContact O-N 2.92Å; Y318-Y322 VanDerWaalsContact O-N 3.09Å
319I87.8Confident84.3Confident12 Ų1251.3 Ų51.36%0.06227%0.274CS..Hα-helixtrans-64.3-32.2174-170.7168.5000112.6L263 V264 L305 P317 Y322 Y323L263-I319 HydrophobicContact CB-CD1 4.19Å; V264-I319 HydrophobicContact CG2-CD1 4.05Å; L305-I319 HydrophobicContact CD1-CG2 4.05Å; L305-I319 HydrophobicContact CD2-CG2 3.94Å; P317-I319 VanDerWaalsContact C-N 3.27Å; P317-I319 HydrophobicContact CB-CG2 4.2Å; P317-I319 HydrophobicContact CG-CG2 4.49Å; P317-I319 PolarHBondContact O-N 2.95Å; I319-Y322 PolarHBondContact O-N 3.39Å; I319-Y323 HydrophobicContact CD1-CE1 4.23Å; I319-Y323 HydrophobicContact CG1-CD1 4.43Å; I319-Y323 HydrophobicContact CG1-CE1 3.79Å; I319-Y323 HydrophobicContact CG1-CE2 4.33Å; I319-Y323 PolarHBondContact O-N 2.77Å
320G89.9Confident84.6Confident1 Ų150.7 Ų50.71%0.0127%0.27CS..Hα-helixtrans-67.2-41.2173.700000112.5P317 Y318 Y322 Y323 C324P317-G320 WeakPolarHBondContact O-CA 3.26Å; P317-G320 PolarHBondContact O-N 2.96Å; Y318-G320 VanDerWaalsContact C-N 3.29Å; Y318-G320 PolarHBondContact O-N 3.43Å; G320-Y322 VanDerWaalsContact C-N 3.3Å; G320-Y322 PolarHBondContact O-N 3.15Å; G320-Y323 PolarHBondContact O-N 2.79Å; G320-C324 PolarHBondContact O-N 3.01Å; G320-C324 VanDerWaalsContact O-N 3.07Å; G320-C324 PolarHBondContact O-SG 3.32Å
321Y89.1Confident84.9Confident137 Ų13754 Ų5454%0.53729%0.29SS..Hα-helixtrans-60.3-39.1171.1-75.4-74.3000112V316 P317 Y318 C324 L325V316-Y321 HydrophobicContact CB-CD2 4.29Å; V316-Y321 HydrophobicContact CB-CE2 3.7Å; V316-Y321 HydrophobicContact CG1-CD2 4.19Å; V316-Y321 HydrophobicContact CG1-CE2 4.1Å; V316-Y321 WeakPolarHBondContact O-CE2 3.18Å; P317-Y321 PolarHBondContact O-N 3.31Å; Y318-Y321 PolarHBondContact O-N 3.24Å; Y321-C324 PolarHBondContact O-N 2.84Å; Y321-L325 WeakPolarHBondContact O-CB 3.34Å; Y321-L325 PolarHBondContact O-N 3.38Å
322Y89.7Confident85.6Confident17 Ų1750.4 Ų50.47%0.06728%0.276CS..Hα-helixtrans-66.9-39.7176.6-175.3-97.1000113C267 Y318 I319 G320 L325 N326 H756 A759 L763C267-Y322 WeakPolarHBondContact SG-CE1 3.39Å; Y318-Y322 PolarHBondContact O-N 2.92Å; Y318-Y322 VanDerWaalsContact O-N 3.09Å; I319-Y322 PolarHBondContact O-N 3.39Å; G320-Y322 VanDerWaalsContact C-N 3.3Å; G320-Y322 PolarHBondContact O-N 3.15Å; Y322-L325 PolarHBondContact O-N 2.82Å; Y322-N326 VanDerWaalsContact CD1-ND2 3.31Å; Y322-N326 WeakPolarHBondContact CD1-ND2 3.47Å; Y322-N326 WeakPolarHBondContact CE1-ND2 3.36Å; Y322-N326 PolarHBondContact O-N 2.91Å; Y322-N326 PolarHBondContact O-ND2 3.38Å; Y322-H756 PolarHBondContact OH-CE1 2.76Å; Y322-A759 HydrophobicContact CD2-CB 4.13Å; Y322-A759 HydrophobicContact CE2-CB 3.92Å; Y322-L763 HydrophobicContact CD1-CD1 3.79Å; Y322-L763 HydrophobicContact CD2-CD1 3.51Å; Y322-L763 HydrophobicContact CD2-CG 3.91Å; Y322-L763 HydrophobicContact CE1-CD1 4.27Å; Y322-L763 HydrophobicContact CE2-CD1 4.02Å; Y322-L763 HydrophobicContact CG-CD1 3.38Å; Y322-L763 HydrophobicContact CG-CG 4.13Å
323Y91.8Very high86.7Confident0 Ų047.2 Ų47.20%025%0.248CC..Hα-helixtrans-60.3-46.7172.5-64.5-17.4000111.6C267 F298 L301 L302 L305 I319 G320 L325 N326 M327C267-Y323 HydrophobicContact CB-CE1 3.88Å; F298-Y323 AromaticContact CD1-CD1 3.99Å; F298-Y323 HydrophobicContact CD1-CD1 3.99Å; F298-Y323 HydrophobicContact CE1-CD1 4.31Å; L301-Y323 HydrophobicContact CB-CD2 4.39Å; L301-Y323 HydrophobicContact CB-CE1 4.34Å; L301-Y323 HydrophobicContact CB-CE2 3.86Å; L301-Y323 HydrophobicContact CD1-CE1 4.29Å; L301-Y323 WeakPolarHBondContact O-CE2 3.2Å; L302-Y323 HydrophobicContact CB-CD2 4.08Å; L302-Y323 HydrophobicContact CD1-CD2 4.18Å; L305-Y323 HydrophobicContact CB-CE2 4.11Å; L305-Y323 HydrophobicContact CD2-CD2 3.94Å; L305-Y323 HydrophobicContact CD2-CE2 3.78Å; I319-Y323 HydrophobicContact CD1-CE1 4.23Å; I319-Y323 HydrophobicContact CG1-CD1 4.43Å; I319-Y323 HydrophobicContact CG1-CE1 3.79Å; I319-Y323 HydrophobicContact CG1-CE2 4.33Å; I319-Y323 PolarHBondContact O-N 2.77Å; G320-Y323 PolarHBondContact O-N 2.79Å; Y323-L325 PolarHBondContact O-N 3.01Å; Y323-N326 PolarHBondContact O-N 3.48Å; Y323-M327 WeakPolarHBondContact O-CE 3.28Å; Y323-M327 PolarHBondContact O-N 3.46Å
324C91.4Very high87.6Confident53 Ų5346.7 Ų46.736%0.35825%0.245SC..Hα-helixtrans-61.2-43.1176.2-70.40000112.3G320 Y321 N326 M327 I328G320-C324 PolarHBondContact O-N 3.01Å; G320-C324 VanDerWaalsContact O-N 3.07Å; G320-C324 PolarHBondContact O-SG 3.32Å; Y321-C324 PolarHBondContact O-N 2.84Å; C324-N326 PolarHBondContact O-N 3.01Å; C324-M327 PolarHBondContact O-N 3.05Å; C324-I328 VanDerWaalsContact O-CG1 3.29Å; C324-I328 WeakPolarHBondContact O-CG1 3.45Å; C324-I328 PolarHBondContact O-N 3.01Å
325L89.9Confident88.4Confident61 Ų6146.8 Ų46.832%0.31924%0.239SC..Hα-helixtrans-60.8-44.6176.2-174.9154.7000111.5Y321 Y322 Y323 I328 L329 A759Y321-L325 WeakPolarHBondContact O-CB 3.34Å; Y321-L325 PolarHBondContact O-N 3.38Å; Y322-L325 PolarHBondContact O-N 2.82Å; Y323-L325 PolarHBondContact O-N 3.01Å; L325-I328 PolarHBondContact O-N 3.41Å; L325-L329 HydrophobicContact CD2-CD1 3.57Å; L325-L329 HydrophobicContact CD2-CG 4.05Å; L325-L329 WeakPolarHBondContact O-CB 3.45Å; L325-L329 WeakPolarHBondContact O-CG 3.35Å; L325-L329 PolarHBondContact O-N 2.97Å; L325-A759 HydrophobicContact CD1-CB 3.94Å; L325-A759 HydrophobicContact CD2-CB 3.71Å
326N89.3Confident88.8Confident0 Ų047.2 Ų47.20%024%0.239CC..Hα-helixtrans-65.8-40.5176.6-80.1-85.9000112.2F298 Y322 Y323 C324 I328 L329 I330 H756F298-N326 HydrophobicContact CD1-CB 4.47Å; F298-N326 HydrophobicContact CD2-CB 4.14Å; F298-N326 HydrophobicContact CE1-CB 4.27Å; F298-N326 HydrophobicContact CE2-CB 3.92Å; F298-N326 HydrophobicContact CG-CB 4.42Å; F298-N326 HydrophobicContact CZ-CB 3.99Å; Y322-N326 VanDerWaalsContact CD1-ND2 3.31Å; Y322-N326 WeakPolarHBondContact CD1-ND2 3.47Å; Y322-N326 WeakPolarHBondContact CE1-ND2 3.36Å; Y322-N326 PolarHBondContact O-N 2.91Å; Y322-N326 PolarHBondContact O-ND2 3.38Å; Y323-N326 PolarHBondContact O-N 3.48Å; C324-N326 PolarHBondContact O-N 3.01Å; N326-I328 VanDerWaalsContact C-N 3.35Å; N326-I328 PolarHBondContact O-N 3.42Å; N326-L329 PolarHBondContact O-N 3.01Å; N326-I330 WeakPolarHBondContact O-CB 3.39Å; N326-I330 WeakPolarHBondContact O-CD1 3.41Å; N326-I330 VanDerWaalsContact O-CG1 3.22Å; N326-I330 WeakPolarHBondContact O-CG1 3.33Å; N326-I330 PolarHBondContact O-N 3.41Å; N326-H756 PolarHBondContact OD1-CE1 2.91Å; N326-H756 VanDerWaalsContact OD1-CE1 3.3Å; N326-H756 PolarHBondContact OD1-ND1 3.48Å
327M91.7Very high88.8Confident18 Ų1844.2 Ų44.29%0.08922%0.221CC..Hα-helixtrans-63-39174.7-77.6-174.7-79.800112.6F295 F298 F299 L302 Y323 C324 T331F295-M327 HydrophobicContact CD2-CB 4.06Å; F295-M327 HydrophobicContact CD2-CG 3.99Å; F295-M327 HydrophobicContact CE2-CB 3.74Å; F295-M327 HydrophobicContact CE2-CG 3.93Å; F295-M327 HydrophobicContact CE2-SD 4.34Å; F295-M327 HydrophobicContact CZ-CG 4.49Å; F295-M327 HydrophobicContact CZ-SD 4.32Å; F298-M327 HydrophobicContact CB-CG 3.83Å; F298-M327 HydrophobicContact CB-SD 4.33Å; F299-M327 HydrophobicContact CB-SD 4.04Å; F299-M327 HydrophobicContact CD2-SD 4.47Å; L302-M327 HydrophobicContact CB-CE 4.19Å; L302-M327 HydrophobicContact CD2-CE 3.69Å; Y323-M327 WeakPolarHBondContact O-CE 3.28Å; Y323-M327 PolarHBondContact O-N 3.46Å; C324-M327 PolarHBondContact O-N 3.05Å; M327-T331 WeakPolarHBondContact O-CB 3.34Å; M327-T331 PolarHBondContact O-N 3.07Å; M327-T331 PolarHBondContact O-OG1 2.9Å
328I91.9Very high88.7Confident117 Ų11747.4 Ų47.460%0.624%0.24SC*.Hα-helixtrans-64.3-47.9173.1-68.4163.6000110.6C324 L325 N326 I330 T331 L332C324-I328 VanDerWaalsContact O-CG1 3.29Å; C324-I328 WeakPolarHBondContact O-CG1 3.45Å; C324-I328 PolarHBondContact O-N 3.01Å; L325-I328 PolarHBondContact O-N 3.41Å; N326-I328 VanDerWaalsContact C-N 3.35Å; N326-I328 PolarHBondContact O-N 3.42Å; I328-I330 PolarHBondContact O-N 3.44Å; I328-T331 PolarHBondContact O-N 2.95Å; I328-L332 WeakPolarHBondContact O-CB 3.22Å; I328-L332 PolarHBondContact O-N 2.77Å
329L89.1Confident88.6Confident11 Ų1147.1 Ų47.16%0.05824%0.241CC..Hα-helixtrans-60.2-43.3177.9-80.1-175.6000112.7L325 N326 L332 S333 Y752 I755L325-L329 HydrophobicContact CD2-CD1 3.57Å; L325-L329 HydrophobicContact CD2-CG 4.05Å; L325-L329 WeakPolarHBondContact O-CB 3.45Å; L325-L329 WeakPolarHBondContact O-CG 3.35Å; L325-L329 PolarHBondContact O-N 2.97Å; N326-L329 PolarHBondContact O-N 3.01Å; L329-L332 PolarHBondContact O-N 3.23Å; L329-S333 VanDerWaalsContact O-CB 3.27Å; L329-S333 WeakPolarHBondContact O-CB 3.43Å; L329-S333 PolarHBondContact O-N 3.46Å; L329-Y752 HydrophobicContact CB-CD2 4.2Å; L329-Y752 HydrophobicContact CB-CE2 3.63Å; L329-Y752 HydrophobicContact CD1-CE2 4.34Å; L329-Y752 HydrophobicContact CD2-CD2 4.4Å; L329-Y752 HydrophobicContact CG-CE2 4.44Å; L329-I755 HydrophobicContact CD1-CG2 4.12Å; L329-I755 HydrophobicContact CD2-CB 4.3Å; L329-I755 HydrophobicContact CD2-CD1 4.2Å; L329-I755 HydrophobicContact CD2-CG2 3.99Å; L329-I755 HydrophobicContact CG-CG2 4.49Å
330I89.9Confident88.5Confident3 Ų346.5 Ų46.52%0.01524%0.238CC..Hα-helixtrans-67.4-38.2177.5-67.9162.5000110.8T274 G291 I294 F295 F298 N326 I328 S333 S334T274-I330 HydrophobicContact CG2-CD1 4.17Å; T274-I330 HydrophobicContact CG2-CG1 4.38Å; G291-I330 WeakPolarHBondContact O-CG2 3.36Å; I294-I330 HydrophobicContact CB-CD1 4.43Å; I294-I330 HydrophobicContact CG2-CD1 3.76Å; F295-I330 HydrophobicContact CB-CG2 4.01Å; F298-I330 HydrophobicContact CD2-CD1 3.7Å; F298-I330 HydrophobicContact CE2-CD1 3.88Å; N326-I330 WeakPolarHBondContact O-CB 3.39Å; N326-I330 WeakPolarHBondContact O-CD1 3.41Å; N326-I330 VanDerWaalsContact O-CG1 3.22Å; N326-I330 WeakPolarHBondContact O-CG1 3.33Å; N326-I330 PolarHBondContact O-N 3.41Å; I328-I330 PolarHBondContact O-N 3.44Å; I330-S333 PolarHBondContact O-N 3.41Å; I330-S334 VanDerWaalsContact O-CB 3.29Å; I330-S334 WeakPolarHBondContact O-CB 3.42Å; I330-S334 PolarHBondContact O-N 3.36Å; I330-S334 PolarHBondContact O-OG 3.27Å
331T90.5Very high88.2Confident75 Ų7548.5 Ų48.546%0.4625%0.248SC..Hα-helixtrans-63.2-47.2175.1-57.20000111F295 M327 I328 S334 F335F295-T331 WeakPolarHBondContact CE2-OG1 3.22Å; M327-T331 WeakPolarHBondContact O-CB 3.34Å; M327-T331 PolarHBondContact O-N 3.07Å; M327-T331 PolarHBondContact O-OG1 2.9Å; I328-T331 PolarHBondContact O-N 2.95Å; T331-S334 PolarHBondContact O-N 3.41Å; T331-F335 PolarHBondContact O-N 3.09Å
332L88.9Confident88Confident90 Ų9046.8 Ų46.847%0.47125%0.248SC..Hα-helixtrans-62.7-46.5176.4-179.760.6000111.6I328 L329 S334 F335 L336I328-L332 WeakPolarHBondContact O-CB 3.22Å; I328-L332 PolarHBondContact O-N 2.77Å; L329-L332 PolarHBondContact O-N 3.23Å; L332-S334 VanDerWaalsContact C-N 3.29Å; L332-S334 PolarHBondContact O-N 2.93Å; L332-F335 PolarHBondContact O-N 3.26Å; L332-L336 HydrophobicContact CD1-CD1 4.09Å; L332-L336 HydrophobicContact CD1-CG 4.2Å; L332-L336 HydrophobicContact CG-CD1 3.95Å; L332-L336 HydrophobicContact CG-CG 4.47Å; L332-L336 WeakPolarHBondContact O-CB 3.3Å; L332-L336 VanDerWaalsContact O-CG 3.28Å; L332-L336 WeakPolarHBondContact O-CG 3.3Å; L332-L336 PolarHBondContact O-N 2.72Å
333S86.2Confident87.6Confident10 Ų1046.6 Ų46.67%0.0725%0.248CC..Hα-helixtrans-59.6-38.6175.5-1790000112.4F278 L329 I330 S337F278-S333 WeakPolarHBondContact CE1-OG 3.36Å; F278-S333 WeakPolarHBondContact CZ-OG 3.08Å; L329-S333 VanDerWaalsContact O-CB 3.27Å; L329-S333 WeakPolarHBondContact O-CB 3.43Å; L329-S333 PolarHBondContact O-N 3.46Å; I330-S333 PolarHBondContact O-N 3.41Å; S333-S337 VanDerWaalsContact O-CB 3.31Å; S333-S337 WeakPolarHBondContact O-CB 3.32Å; S333-S337 PolarHBondContact O-N 2.85Å; S333-S337 PolarHBondContact O-OG 2.93Å
334S85Confident86.9Confident33 Ų3347.5 Ų47.523%0.23125%0.252CS..Hα-helixtrans-68-43176.9-59.40000111.7I330 T331 L332 S337 V338I330-S334 VanDerWaalsContact O-CB 3.29Å; I330-S334 WeakPolarHBondContact O-CB 3.42Å; I330-S334 PolarHBondContact O-N 3.36Å; I330-S334 PolarHBondContact O-OG 3.27Å; T331-S334 PolarHBondContact O-N 3.41Å; L332-S334 VanDerWaalsContact C-N 3.29Å; L332-S334 PolarHBondContact O-N 2.93Å; S334-S337 PolarHBondContact O-N 3.24Å; S334-V338 WeakPolarHBondContact O-CG2 3.04Å; S334-V338 PolarHBondContact O-N 3.43Å
335F87.2Confident86.3Confident144 Ų14451.5 Ų51.563%0.63226%0.263SS*.Hα-helixtrans-61.8-46.6174176.4-96.5000112T331 L332 S337 V338 F339T331-F335 PolarHBondContact O-N 3.09Å; L332-F335 PolarHBondContact O-N 3.26Å; F335-S337 VanDerWaalsContact C-N 3.33Å; F335-S337 PolarHBondContact O-N 3.26Å; F335-V338 PolarHBondContact O-N 2.86Å; F335-F339 PolarHBondContact O-N 3.24Å
336L85.8Confident85.5Confident38 Ų3855.2 Ų55.220%0.19927%0.273CS..Hα-helixtrans-64-36.8176.3-67.9172.6000111.7L332 F339 V340 F748L332-L336 HydrophobicContact CD1-CD1 4.09Å; L332-L336 HydrophobicContact CD1-CG 4.2Å; L332-L336 HydrophobicContact CG-CD1 3.95Å; L332-L336 HydrophobicContact CG-CG 4.47Å; L332-L336 WeakPolarHBondContact O-CB 3.3Å; L332-L336 VanDerWaalsContact O-CG 3.28Å; L332-L336 WeakPolarHBondContact O-CG 3.3Å; L332-L336 PolarHBondContact O-N 2.72Å; L336-F339 WeakPolarHBondContact O-CB 3.48Å; L336-F339 PolarHBondContact O-N 2.88Å; L336-V340 VanDerWaalsContact O-CG2 3.29Å; L336-V340 WeakPolarHBondContact O-CG2 3.32Å; L336-V340 PolarHBondContact O-N 3.02Å; L336-F748 HydrophobicContact CB-CD2 3.89Å; L336-F748 HydrophobicContact CB-CE2 4.14Å; L336-F748 HydrophobicContact CB-CG 4.35Å; L336-F748 HydrophobicContact CD1-CB 4.22Å; L336-F748 HydrophobicContact CD1-CD1 3.94Å; L336-F748 HydrophobicContact CD1-CD2 4.26Å; L336-F748 HydrophobicContact CD1-CE1 4.38Å; L336-F748 HydrophobicContact CD1-CG 3.89Å; L336-F748 HydrophobicContact CD2-CD1 4.44Å; L336-F748 HydrophobicContact CD2-CD2 4.39Å; L336-F748 HydrophobicContact CD2-CE1 4.09Å; L336-F748 HydrophobicContact CD2-CE2 4.02Å; L336-F748 HydrophobicContact CD2-CZ 3.86Å; L336-F748 HydrophobicContact CG-CD2 4.41Å; L336-F748 HydrophobicContact CG-CE2 4.49Å
337S84.2Confident84.2Confident7 Ų755.2 Ų55.25%0.04927%0.273CS..Hα-helixtrans-62.3-43.3173.2-62.70000111.8S333 S334 F335 F339 V340 I341S333-S337 VanDerWaalsContact O-CB 3.31Å; S333-S337 WeakPolarHBondContact O-CB 3.32Å; S333-S337 PolarHBondContact O-N 2.85Å; S333-S337 PolarHBondContact O-OG 2.93Å; S334-S337 PolarHBondContact O-N 3.24Å; F335-S337 VanDerWaalsContact C-N 3.33Å; F335-S337 PolarHBondContact O-N 3.26Å; S337-F339 VanDerWaalsContact C-N 3.32Å; S337-F339 PolarHBondContact O-N 3.48Å; S337-V340 PolarHBondContact O-N 3.02Å; S337-I341 WeakPolarHBondContact O-CB 3.37Å; S337-I341 WeakPolarHBondContact O-CD1 3.33Å; S337-I341 VanDerWaalsContact O-CG1 3.24Å; S337-I341 WeakPolarHBondContact O-CG1 3.32Å; S337-I341 PolarHBondContact O-N 3.38Å
338V86.6Confident82.9Confident72 Ų7260.4 Ų60.444%0.43630%0.301SS..Hα-helixtrans-64.1-37.2174.4172.30000111.6M288 S334 F335 I341 N342M288-V338 HydrophobicContact CE-CG2 3.48Å; M288-V338 VanDerWaalsContact CE-CG2 3.48Å; M288-V338 HydrophobicContact SD-CG2 4.09Å; S334-V338 WeakPolarHBondContact O-CG2 3.04Å; S334-V338 PolarHBondContact O-N 3.43Å; F335-V338 PolarHBondContact O-N 2.86Å; V338-I341 PolarHBondContact O-N 3.26Å; V338-N342 WeakPolarHBondContact O-CB 3.42Å; V338-N342 PolarHBondContact O-N 3.2Å
339F85.8Confident81.6Confident90 Ų9062.1 Ų62.140%0.39530%0.304SS..Hα-helixtrans-64.5-45173.3178.1-102.5000112.2F335 L336 S337 I341 N342 L343F335-F339 PolarHBondContact O-N 3.24Å; L336-F339 WeakPolarHBondContact O-CB 3.48Å; L336-F339 PolarHBondContact O-N 2.88Å; S337-F339 VanDerWaalsContact C-N 3.32Å; S337-F339 PolarHBondContact O-N 3.48Å; F339-I341 PolarHBondContact O-N 3.28Å; F339-N342 WeakPolarHBondContact O-CB 3.36Å; F339-N342 PolarHBondContact O-N 3.24Å; F339-L343 HydrophobicContact CD1-CD1 4.15Å; F339-L343 HydrophobicContact CD1-CG 4.44Å; F339-L343 HydrophobicContact CE1-CD1 3.57Å; F339-L343 HydrophobicContact CE1-CG 4.1Å; F339-L343 HydrophobicContact CE2-CD2 4.49Å; F339-L343 HydrophobicContact CZ-CD1 3.92Å; F339-L343 HydrophobicContact CZ-CD2 4.22Å; F339-L343 HydrophobicContact CZ-CG 4.17Å; F339-L343 WeakPolarHBondContact O-CG 3.28Å; F339-L343 PolarHBondContact O-N 3.25Å
340V84.9Confident80.3Confident0 Ų068.8 Ų68.80%033%0.329CS..Hα-helixtrans-60.3-43.9174.81690000111.2P282 L336 S337 N342 L343 Y344 A741 M744 D745 F748P282-V340 HydrophobicContact CB-CG1 3.61Å; P282-V340 HydrophobicContact CG-CG1 3.87Å; L336-V340 VanDerWaalsContact O-CG2 3.29Å; L336-V340 WeakPolarHBondContact O-CG2 3.32Å; L336-V340 PolarHBondContact O-N 3.02Å; S337-V340 PolarHBondContact O-N 3.02Å; V340-N342 VanDerWaalsContact C-N 3.34Å; V340-N342 PolarHBondContact O-N 3.09Å; V340-L343 PolarHBondContact O-N 3.12Å; V340-Y344 WeakPolarHBondContact O-CB 3.45Å; V340-Y344 PolarHBondContact O-N 3.05Å; V340-A741 HydrophobicContact CG1-CB 4.02Å; V340-A741 WeakPolarHBondContact CG1-O 3.28Å; V340-M744 HydrophobicContact CG2-CB 4.29Å; V340-D745 HydrophobicContact CG1-CB 4.32Å; V340-F748 HydrophobicContact CG2-CD2 4.07Å; V340-F748 HydrophobicContact CG2-CE2 3.83Å
341I84.4Confident79.4Confident42 Ų4274.4 Ų74.422%0.21536%0.359CS..Hα-helixtrans-60.9-42.5174.8-71.5163.8000111.1P282 M288 S337 V338 F339 Y344 F345P282-I341 VanDerWaalsContact O-CG1 3.3Å; P282-I341 WeakPolarHBondContact O-CG1 3.32Å; M288-I341 HydrophobicContact CG-CD1 4.46Å; M288-I341 HydrophobicContact SD-CD1 3.84Å; S337-I341 WeakPolarHBondContact O-CB 3.37Å; S337-I341 WeakPolarHBondContact O-CD1 3.33Å; S337-I341 VanDerWaalsContact O-CG1 3.24Å; S337-I341 WeakPolarHBondContact O-CG1 3.32Å; S337-I341 PolarHBondContact O-N 3.38Å; V338-I341 PolarHBondContact O-N 3.26Å; F339-I341 PolarHBondContact O-N 3.28Å; I341-Y344 WeakPolarHBondContact O-CB 3.44Å; I341-Y344 PolarHBondContact O-N 2.93Å; I341-F345 HydrophobicContact CG2-CD2 3.84Å; I341-F345 HydrophobicContact CG2-CE2 3.86Å; I341-F345 VanDerWaalsContact O-CD2 3.31Å; I341-F345 WeakPolarHBondContact O-CD2 3.36Å; I341-F345 PolarHBondContact O-N 2.75Å
342N84.7Confident78.4Confident101 Ų10179.1 Ų79.154%0.5437%0.368SS..Hα-helixtrans-62.8-44.5175.5-170.8-2.6000111.3V338 F339 V340 Y344 F345 R346V338-N342 WeakPolarHBondContact O-CB 3.42Å; V338-N342 PolarHBondContact O-N 3.2Å; F339-N342 WeakPolarHBondContact O-CB 3.36Å; F339-N342 PolarHBondContact O-N 3.24Å; V340-N342 VanDerWaalsContact C-N 3.34Å; V340-N342 PolarHBondContact O-N 3.09Å; N342-Y344 PolarHBondContact O-N 3.13Å; N342-F345 PolarHBondContact O-N 3.26Å; N342-R346 WeakPolarHBondContact O-CB 3.36Å; N342-R346 PolarHBondContact O-N 3.42Å
343L79.7Confident77.7Confident13 Ų1375.3 Ų75.37%0.06835%0.349CS..Hα-helixtrans-61.6-41.8174.1-67.4-172.7000112.7F339 V340 R346 W737F339-L343 HydrophobicContact CD1-CD1 4.15Å; F339-L343 HydrophobicContact CD1-CG 4.44Å; F339-L343 HydrophobicContact CE1-CD1 3.57Å; F339-L343 HydrophobicContact CE1-CG 4.1Å; F339-L343 HydrophobicContact CE2-CD2 4.49Å; F339-L343 HydrophobicContact CZ-CD1 3.92Å; F339-L343 HydrophobicContact CZ-CD2 4.22Å; F339-L343 HydrophobicContact CZ-CG 4.17Å; F339-L343 WeakPolarHBondContact O-CG 3.28Å; F339-L343 PolarHBondContact O-N 3.25Å; V340-L343 PolarHBondContact O-N 3.12Å; L343-R346 PolarHBondContact O-N 3.4Å; L343-W737 HydrophobicContact CD2-CZ3 4.17Å
344Y78.5Confident77.3Confident20 Ų2078.1 Ų78.18%0.07837%0.367CS..Hα-helixtrans-58.2-49.7178.1-175.2-77.7000111.5E283 V340 I341 N342 R738 A741E283-Y344 HydrophobicContact CG-CD2 4.3Å; E283-Y344 HydrophobicContact CG-CE1 4.47Å; E283-Y344 HydrophobicContact CG-CE2 3.58Å; E283-Y344 WeakPolarHBondContact OE1-CE2 3.42Å; E283-Y344 PolarHBondContact OE1-OH 2.91Å; V340-Y344 WeakPolarHBondContact O-CB 3.45Å; V340-Y344 PolarHBondContact O-N 3.05Å; I341-Y344 WeakPolarHBondContact O-CB 3.44Å; I341-Y344 PolarHBondContact O-N 2.93Å; N342-Y344 PolarHBondContact O-N 3.13Å; Y344-R738 HydrophobicContact CD2-CB 4.28Å; Y344-R738 HydrophobicContact CD2-CG 3.87Å; Y344-R738 HydrophobicContact CE1-CG 4.31Å; Y344-R738 HydrophobicContact CE2-CB 4.01Å; Y344-R738 HydrophobicContact CE2-CG 3.52Å; Y344-R738 HydrophobicContact CG-CG 4.42Å; Y344-R738 WeakPolarHBondContact OH-CD 3.33Å; Y344-R738 PolarHBondContact OH-NE 2.77Å; Y344-R738 PolarHBondContact OH-NH1 3.48Å; Y344-A741 HydrophobicContact CD2-CB 4.28Å
345F77.9Confident76.8Confident137 Ų13783.7 Ų83.760%0.60139%0.389SS*.Hα-helixtrans-76.6-20177.2-71.5-64.3000113.6I341 N342 G347 D348I341-F345 HydrophobicContact CG2-CD2 3.84Å; I341-F345 HydrophobicContact CG2-CE2 3.86Å; I341-F345 VanDerWaalsContact O-CD2 3.31Å; I341-F345 WeakPolarHBondContact O-CD2 3.36Å; I341-F345 PolarHBondContact O-N 2.75Å; N342-F345 PolarHBondContact O-N 3.26Å; F345-G347 PolarHBondContact O-N 3.49Å; F345-D348 WeakPolarHBondContact O-CB 3.39Å; F345-D348 PolarHBondContact O-N 3.21Å
346R72.5Confident76.3Confident138 Ų13880.9 Ų80.952%0.52139%0.386SS..Hα-helixtrans-66-22.2175.5-172171.3-174.2164.61.4113N342 L343 D348 K349N342-R346 WeakPolarHBondContact O-CB 3.36Å; N342-R346 PolarHBondContact O-N 3.42Å; L343-R346 PolarHBondContact O-N 3.4Å; R346-D348 PolarHBondContact O-N 2.87Å; R346-K349 WeakPolarHBondContact O-CB 3.43Å; R346-K349 PolarHBondContact O-N 2.86Å
347G63.6Low75.7Confident1 Ų181 Ų811%0.0139%0.387CS..G310 helixtrans-58.9-24.1173.300000114.5F345 K349 W737F345-G347 PolarHBondContact O-N 3.49Å; G347-K349 PolarHBondContact O-N 2.82Å; G347-W737 VanDerWaalsContact CA-CD1 3.45Å
348D64.7Low75.1Confident127 Ų12785.6 Ų85.668%0.67940%0.403SS*.G310 helixtrans-68.5-15.7176.3-14634.4000112.6F345 R346 R350F345-D348 WeakPolarHBondContact O-CB 3.39Å; F345-D348 PolarHBondContact O-N 3.21Å; R346-D348 PolarHBondContact O-N 2.87Å; D348-R350 VanDerWaalsContact C-N 3.27Å; D348-R350 PolarHBondContact O-N 3.41Å
349K63.5Low74.4Confident152 Ų15290.4 Ų90.466%0.66141%0.413SS*.G310 helixtrans-8723.5-178.2-60.9-168.5174.7-174.80114.4R346 G347 N351R346-K349 WeakPolarHBondContact O-CB 3.43Å; R346-K349 PolarHBondContact O-N 2.86Å; G347-K349 PolarHBondContact O-N 2.82Å; K349-N351 PolarHBondContact O-N 2.92Å
350R62.4Low73.8Confident152 Ų15289.1 Ų89.157%0.57441%0.41SS*.  trans54.4-4.9171.2-69.2-177.8172.3153.4-6.5118.9D348 E730D348-R350 VanDerWaalsContact C-N 3.27Å; D348-R350 PolarHBondContact O-N 3.41Å; R350-E730 HydrophobicContact CG-CG 4.45Å; R350-E730 IonicContact CZ-OE1 3.99Å; R350-E730 IonicContact CZ-OE2 2.65Å; R350-E730 IonicContact NE-OE1 2.77Å; R350-E730 PolarHBondContact NE-OE1 3.16Å; R350-E730 IonicContact NE-OE2 3.73Å; R350-E730 PolarHBondContact NE-OE2 3.37Å; R350-E730 VanDerWaalsContact NH2-CD 3.27Å; R350-E730 IonicContact NH2-OE1 2.71Å; R350-E730 PolarHBondContact NH2-OE1 3.48Å; R350-E730 VanDerWaalsContact NH2-OE1 3.08Å; R350-E730 IonicContact NH2-OE2 3.63Å; R350-E730 PolarHBondContact NH2-OE2 2.86Å
351N69.6Low73Confident120 Ų12090 Ų9064%0.64242%0.416SS*.PPolyproline II helixtrans-75.1130.1177.2-72.2-6000111.3K349 I733 W737K349-N351 PolarHBondContact O-N 2.92Å; N351-I733 WeakPolarHBondContact O-CG2 3.36Å; N351-W737 PolarHBondContact O-NE1 3.39Å
352R71.1Confident72.2Confident174 Ų17494 Ų9466%0.65743%0.434SS*.PPolyproline II helixtrans-59.2149.5171.4-69.9-176.2178-176.8-1.1110.9E729 I733R352-E729 IonicContact NH2-OE1 3.52Å; R352-I733 HydrophobicContact CG-CD1 3.92Å; R352-I733 HydrophobicContact CG-CG1 4.16Å
353V74.4Confident71.3Confident11 Ų1195.3 Ų95.37%0.06744%0.439CS..PPolyproline II helixtrans-62.8135178.91760000110.9Q355 L357 R358 E736 W737 I740V353-Q355 PolarHBondContact O-N 3.25Å; V353-L357 HydrophobicContact CG1-CB 3.83Å; V353-R358 HydrophobicContact CG1-CB 4.48Å; V353-E736 HydrophobicContact CG2-CB 3.79Å; V353-W737 HydrophobicContact CG2-CD2 3.99Å; V353-W737 HydrophobicContact CG2-CG 4.11Å; V353-W737 HydrophobicContact CG2-CZ2 4.31Å; V353-I740 HydrophobicContact CB-CD1 4.18Å; V353-I740 HydrophobicContact CG1-CD1 3.33Å; V353-I740 HydrophobicContact CG2-CD1 3.79Å
354P77.8Confident70.5Confident69 Ų6998.7 Ų98.745%0.44846%0.457SS..PPolyproline II helixtrans-55.3132170-25.734.1000112.5C356 L357 R358P354-C356 PolarHBondContact O-N 3.15Å; P354-L357 PolarHBondContact O-N 3.07Å; P354-R358 PolarHBondContact O-N 3.17Å
355Q74Confident69.6Low149 Ų149101.5 Ų101.570%0.69647%0.474SS*.Hα-helixtrans-52.9-33-174-65.8-176.8-0.500114V353 R358 R359V353-Q355 PolarHBondContact O-N 3.25Å; Q355-R358 PolarHBondContact O-N 2.73Å; Q355-R359 WeakPolarHBondContact O-CG 3.22Å; Q355-R359 PolarHBondContact O-N 3.22Å
356C77.3Confident68.3Low85 Ų8597.9 Ų97.957%0.57447%0.474SS*.Hα-helixtrans-58.4-48.1175.3-175.10000112.6P354 R358 R359 I360P354-C356 PolarHBondContact O-N 3.15Å; C356-R358 VanDerWaalsContact C-N 3.32Å; C356-R358 PolarHBondContact O-N 2.57Å; C356-R359 PolarHBondContact O-N 3.02Å; C356-I360 WeakPolarHBondContact O-CG1 3.41Å; C356-I360 PolarHBondContact O-N 3Å
357L72.3Confident67.2Low41 Ų41100.7 Ų100.722%0.21549%0.491CS..Hα-helixtrans-65.7-35.4177.6-69.3176000111.9V353 P354 I360 C361 W737 I740 M744V353-L357 HydrophobicContact CG1-CB 3.83Å; P354-L357 PolarHBondContact O-N 3.07Å; L357-I360 PolarHBondContact O-N 3.24Å; L357-C361 WeakPolarHBondContact O-CB 3.47Å; L357-C361 PolarHBondContact O-N 3.49Å; L357-W737 HydrophobicContact CD1-CZ3 4.39Å; L357-I740 HydrophobicContact CB-CD1 4.36Å; L357-M744 HydrophobicContact CD2-CE 3.68Å
358R71.5Confident66.1Low103 Ų103105.7 Ų105.739%0.38953%0.525SS..Hα-helixtrans-66.8-41.7174.5-160.1-171.7-77.4-165.7-2.8111.4V353 P354 Q355 C356 C361 H362 E736V353-R358 HydrophobicContact CG1-CB 4.48Å; P354-R358 PolarHBondContact O-N 3.17Å; Q355-R358 PolarHBondContact O-N 2.73Å; C356-R358 VanDerWaalsContact C-N 3.32Å; C356-R358 PolarHBondContact O-N 2.57Å; R358-C361 WeakPolarHBondContact O-CB 3.26Å; R358-C361 PolarHBondContact O-N 2.89Å; R358-H362 PolarHBondContact O-CD2 3.26Å; R358-H362 PolarHBondContact O-N 2.94Å; R358-E736 IonicContact CZ-OE1 2.71Å; R358-E736 IonicContact CZ-OE2 3.24Å; R358-E736 IonicContact NE-OE2 3.6Å; R358-E736 PolarHBondContact NE-OE2 2.91Å; R358-E736 IonicContact NH2-OE1 2.6Å; R358-E736 PolarHBondContact NH2-OE1 3.16Å; R358-E736 IonicContact NH2-OE2 3.91Å; R358-E736 PolarHBondContact NH2-OE2 3.3Å
359R72.8Confident64.7Low173 Ų173107.3 Ų107.365%0.65353%0.533SS*.Hα-helixtrans-59.8-46.4172.7-72.9-176.8-172.5-170.43.2112Q355 C356 C361 H362 I363Q355-R359 WeakPolarHBondContact O-CG 3.22Å; Q355-R359 PolarHBondContact O-N 3.22Å; C356-R359 PolarHBondContact O-N 3.02Å; R359-C361 VanDerWaalsContact C-N 3.31Å; R359-C361 PolarHBondContact O-N 2.75Å; R359-H362 PolarHBondContact O-N 3.14Å; R359-H362 VanDerWaalsContact O-N 3.17Å; R359-I363 VanDerWaalsContact O-CG1 3.3Å; R359-I363 WeakPolarHBondContact O-CG1 3.43Å; R359-I363 PolarHBondContact O-N 2.93Å
360I71.9Confident63.3Low64 Ų64104.2 Ų104.233%0.32855%0.545SS..Hα-helixtrans-58.2-44.1176.6-69.2163.7000110.8C356 L357 H362 I363 L364C356-I360 WeakPolarHBondContact O-CG1 3.41Å; C356-I360 PolarHBondContact O-N 3Å; L357-I360 PolarHBondContact O-N 3.24Å; I360-H362 PolarHBondContact O-N 3.25Å; I360-I363 PolarHBondContact O-N 3.2Å; I360-L364 HydrophobicContact CG2-CD1 3.73Å; I360-L364 HydrophobicContact CG2-CG 4.49Å; I360-L364 WeakPolarHBondContact O-CG 3.48Å; I360-L364 PolarHBondContact O-N 3.37Å
361C67.5Low62Low19 Ų19106.3 Ų106.313%0.12856%0.558CS.*Hα-helixtrans-61.8-41.9175.8-167.30000112.6L357 R358 R359 N365 I740L357-C361 WeakPolarHBondContact O-CB 3.47Å; L357-C361 PolarHBondContact O-N 3.49Å; R358-C361 WeakPolarHBondContact O-CB 3.26Å; R358-C361 PolarHBondContact O-N 2.89Å; R359-C361 VanDerWaalsContact C-N 3.31Å; R359-C361 PolarHBondContact O-N 2.75Å; C361-N365 WeakPolarHBondContact O-CB 3.2Å; C361-N365 PolarHBondContact O-N 3.18Å; C361-N365 PolarHBondContact O-ND2 3.23Å; C361-N365 PolarHBondContact SG-ND2 2.69Å; C361-N365 VanDerWaalsContact SG-ND2 3.45Å; C361-I740 HydrophobicContact CB-CG1 4.42Å
362H67.7Low60.6Low126 Ų126106.5 Ų106.558%0.58357%0.567SS**Hα-helixtrans-67.3-37.1175.1-74.7-64.1000113.3R358 R359 I360 G366R358-H362 PolarHBondContact O-CD2 3.26Å; R358-H362 PolarHBondContact O-N 2.94Å; R359-H362 PolarHBondContact O-N 3.14Å; R359-H362 VanDerWaalsContact O-N 3.17Å; I360-H362 PolarHBondContact O-N 3.25Å; H362-G366 WeakPolarHBondContact O-CA 3.41Å; H362-G366 PolarHBondContact O-N 3.41Å
363I66.6Low58.8Low127 Ų127103.3 Ų103.365%0.65157%0.572SS**Hα-helixtrans-66.3-44.6177.3-69.2162.2000110.5R359 I360 G366R359-I363 VanDerWaalsContact O-CG1 3.3Å; R359-I363 WeakPolarHBondContact O-CG1 3.43Å; R359-I363 PolarHBondContact O-N 2.93Å; I360-I363 PolarHBondContact O-N 3.2Å; I363-G366 PolarHBondContact O-N 2.84Å
364L63.2Low57.1Low84 Ų84108.5 Ų108.544%0.4461%0.607SS.*Hα-helixtrans-73.6-39.2-177.2-68.5168.8000113.1I360 G366 V743 I747I360-L364 HydrophobicContact CG2-CD1 3.73Å; I360-L364 HydrophobicContact CG2-CG 4.49Å; I360-L364 WeakPolarHBondContact O-CG 3.48Å; I360-L364 PolarHBondContact O-N 3.37Å; L364-G366 VanDerWaalsContact C-N 3.27Å; L364-V743 HydrophobicContact CD1-CG1 4Å; L364-I747 HydrophobicContact CD1-CD1 3.35Å; L364-I747 HydrophobicContact CD1-CG1 3.79Å
365N59.7Low55Low80 Ų80114 Ų11443%0.42862%0.624SS.*Hα-helixtrans-75.1-18.4172.4-67.5-30.3000112.3C361 F367 C368C361-N365 WeakPolarHBondContact O-CB 3.2Å; C361-N365 PolarHBondContact O-N 3.18Å; C361-N365 PolarHBondContact O-ND2 3.23Å; C361-N365 PolarHBondContact SG-ND2 2.69Å; C361-N365 VanDerWaalsContact SG-ND2 3.45Å; N365-F367 PolarHBondContact O-N 3.31Å; N365-C368 PolarHBondContact O-N 3.25Å; N365-C368 VanDerWaalsContact O-O 3.09Å
366G51.2Low53.1Low60 Ų60116.1 Ų116.162%0.61963%0.634SS**THydrogen-bonded Turntrans-65.2-6.9-178.100000115.5H362 I363 L364H362-G366 WeakPolarHBondContact O-CA 3.41Å; H362-G366 PolarHBondContact O-N 3.41Å; I363-G366 PolarHBondContact O-N 2.84Å; L364-G366 VanDerWaalsContact C-N 3.27Å
367F48Very low50.9Low197 Ų197115.7 Ų115.786%0.86464%0.643SS**THydrogen-bonded Turntrans-93.14.4173.2-127.9-94.5000113.7N365N365-F367 PolarHBondContact O-N 3.31Å
368C40.3Very low49.2Very low107 Ų107121.7 Ų121.772%0.72368%0.676SS**SBendtrans-137.8126.4175.2-72.80000111.2N365N365-C368 PolarHBondContact O-N 3.25Å; N365-C368 VanDerWaalsContact O-O 3.09Å
369D37Very low47.3Very low160 Ų160124.8 Ų124.886%0.85670%0.695SS**  trans49.195.4178.5-83.8-32.9000118.2K371D369-K371 VanDerWaalsContact C-N 3.31Å; D369-K371 PolarHBondContact O-N 2.79Å
370G32.7Very low45.4Very low88 Ų88123.7 Ų123.791%0.90770%0.702SS**  trans-69.578.316500000113
371K36.5Very low43.6Very low196 Ų196127.4 Ų127.485%0.85273%0.728SS**  trans-150.129.6170.6-118.6164.9-169.6171.70116.8D369D369-K371 VanDerWaalsContact C-N 3.31Å; D369-K371 PolarHBondContact O-N 2.79Å
372C38.6Very low42Very low123 Ų123132.4 Ų132.483%0.83176%0.76SS**  trans-105.976.4170.2-75.80000111.8C374C372-C374 PolarHBondContact O-N 2.87Å
373S33.6Very low40.2Very low108 Ų108135.6 Ų135.676%0.75578%0.778SS**  trans-80.283.5177.2-167.20000111.7K375S373-K375 VanDerWaalsContact C-N 3.28Å; S373-K375 PolarHBondContact O-N 2.89Å; S373-K375 VanDerWaalsContact O-N 3.11Å
374C38.6Very low38.6Very low120 Ų120132.9 Ų132.981%0.81178%0.781SS**  trans-78.679.3163.3-64.40000109.1C372 E376C372-C374 PolarHBondContact O-N 2.87Å; C374-E376 PolarHBondContact O-N 2.93Å
375K34.4Very low37.2Very low185 Ų185134.5 Ų134.580%0.80479%0.794SS**PPolyproline II helixtrans-60.7136165.2-89.3-168.3171.6-171.70109.4S373 G377S373-K375 VanDerWaalsContact C-N 3.28Å; S373-K375 PolarHBondContact O-N 2.89Å; S373-K375 VanDerWaalsContact O-N 3.11Å; K375-G377 PolarHBondContact O-N 2.85Å
376E33.5Very low36.1Very low193 Ų193136.8 Ų136.890%0.90281%0.81SS**PPolyproline II helixtrans-64.6124.5168.7-70.1165.7125.800108.5C374C374-E376 PolarHBondContact O-N 2.93Å
377G32.6Very low35.3Very low75 Ų75140.7 Ų140.777%0.77382%0.815SS**PPolyproline II helixtrans-96.2118.1171.100000108.4K375K375-G377 PolarHBondContact O-N 2.85Å
378D34.8Very low34.7Very low167 Ų167136 Ų13689%0.89381%0.807SS**PPolyproline II helixtrans-59151.9-175.1-88.3-56.6000113.6
379Q33Very low34.3Very low169 Ų169138.3 Ų138.379%0.7981%0.813SS**SBendtrans-75.7157.4171-60.7177.915.700110
380N32.4Very low34.3Very low149 Ų149135.8 Ų135.880%0.79781%0.807SS**  trans86.484.6174.4-45.1-49.6000117.4
381T33.8Very low34Very low142 Ų142139.5 Ų139.587%0.87181%0.806SS**  -167.2135.7123.913.50000110.9
382P34Very low33.7Very low124 Ų124135 Ų13581%0.80580%0.799SS**  trans-81.5161.417533.4-34.4000112.4G384P382-G384 PolarHBondContact O-N 2.65Å; P382-G384 VanDerWaalsContact O-N 3.07Å
383M31Very low33.3Very low194 Ų194134.6 Ų134.696%0.95679%0.793SS**  trans-52.5107.7-176-77.8174.1-8600114.5
384G32.7Very low33Very low70 Ų70135.5 Ų135.572%0.72279%0.794SS**  trans-91.611915800000110.6P382 V386P382-G384 PolarHBondContact O-N 2.65Å; P382-G384 VanDerWaalsContact O-N 3.07Å; G384-V386 PolarHBondContact O-N 2.93Å
385V33.3Very low32.5Very low117 Ų117134.4 Ų134.471%0.70979%0.794SS**  trans-82109.4173176.30000108.7I387V385-I387 HydrophobicContact CG1-CG1 4.24Å
386V35.9Very low32.2Very low128 Ų128130.7 Ų130.778%0.77679%0.791SS**  trans-109110.5171.6-179.30000109G384G384-V386 PolarHBondContact O-N 2.93Å
387I34Very low32.2Very low142 Ų142129.9 Ų129.973%0.72879%0.788SS**  trans-93.1114.1168.1-62.7167000107V385V385-I387 HydrophobicContact CG1-CG1 4.24Å
388S37.1Very low32.4Very low98 Ų98132.4 Ų132.469%0.68579%0.788SS**  trans-11895.5174.1580000110.1S390S388-S390 PolarHBondContact O-N 3.05Å
389N30.9Very low32.3Very low157 Ų157132.9 Ų132.984%0.8478%0.782SS**  trans-76.3117.6169-82.8-12.6000109.9
390S36.3Very low32.2Very low107 Ų107130.8 Ų130.875%0.74878%0.777SS**  trans-149.5112.9158.246.60000110.5S388S388-S390 PolarHBondContact O-N 3.05Å
391N28.4Very low32.2Very low165 Ų165130.2 Ų130.288%0.88277%0.773SS**  trans-77.2122.9173.5-66.2-31.6000109.7
392S29.9Very low32.2Very low101 Ų101134.3 Ų134.371%0.70678%0.775SS**  trans-177.5154.7145.743.50000114.3
393T29.4Very low32.3Very low115 Ų115133.2 Ų133.271%0.70677%0.77SS**  trans5398.5147.346.50000121.1
394T27.4Very low32.7Very low127 Ų127128.5 Ų128.578%0.77976%0.756SS**  51.9133.1116.7560000122.6
395A27.2Very low33.2Very low98 Ų98132.8 Ų132.881%0.8176%0.757SS**  trans72.9105.4141.900000119.7
396S29.1Very low33.5Very low106 Ų106134.7 Ų134.774%0.74176%0.763SS**  trans-166.3177135.352.30000110.9
397Q33.7Very low33.8Very low177 Ų177133.5 Ų133.583%0.82776%0.756SS**  trans76.980.2164.7-55.2-179.724.800118.3K399Q397-K399 PolarHBondContact O-N 2.7Å
398T37.1Very low34.1Very low128 Ų128134.5 Ų134.579%0.78576%0.757SS**  -47.9124.6128.742.80000109.2
399K32Very low34.2Very low176 Ų176138.2 Ų138.277%0.76577%0.766SS**  57.5130.585.8-65.8-169.3175.2-179.80112.9Q397Q397-K399 PolarHBondContact O-N 2.7Å
400N30.5Very low34.6Very low126 Ų126139.4 Ų139.467%0.67476%0.764SS**  cis-157.4-171.75.6-121.814.8000111.6
401D32.6Very low34.6Very low136 Ų136142.9 Ų142.973%0.72777%0.765SS**SBendtrans67.289161.3-53.4-24.1000118.6
402Y34.7Very low35Very low228 Ų228140.1 Ų140.189%0.89476%0.759SS**SBendtrans-169.5-7.9140-114-70.7000113.4S404Y402-S404 PolarHBondContact O-N 2.91Å
403S35.9Very low35.4Very low102 Ų102139.6 Ų139.671%0.71376%0.761SS**THydrogen-bonded Turntrans-81.2-0.3-171.748.50000116.4
404S39.5Very low35.7Very low94 Ų94141.8 Ų141.866%0.65777%0.767SS**THydrogen-bonded Turntrans-79.4-27.4-169.752.10000115.4Y402Y402-S404 PolarHBondContact O-N 2.91Å
405Q41.8Very low36Very low161 Ų161141.5 Ų141.575%0.75277%0.765SS**SBendtrans-87.7-24.7-173.4-65.5-171.73.500114.6V407Q405-V407 PolarHBondContact O-N 3.3Å
406L40.2Very low36.2Very low157 Ų157144.8 Ų144.882%0.82277%0.769SS**THydrogen-bonded Turntrans-73.8-12.2-175.5-127.778.2000114.4
407V42Very low36.3Very low103 Ų103144.6 Ų144.662%0.62477%0.767SS**THydrogen-bonded Turntrans-87.4-30.1-174.6-179.30000112.5Q405Q405-V407 PolarHBondContact O-N 3.3Å
408Q41.6Very low36.2Very low163 Ų163142.8 Ų142.876%0.76276%0.763SS**G310 helixtrans-71.7-35.3-174.7-76.6-176.7-27.400113.6K410Q408-K410 PolarHBondContact O-N 3.28Å
409M37.5Very low36Very low176 Ų176144.3 Ų144.387%0.86777%0.767SS**G310 helixtrans-74.6-5.2-179.1-69.2-166.3179.900115
410K39.1Very low36.1Very low182 Ų182145.6 Ų145.679%0.79178%0.776SS**G310 helixtrans-101.3-1.1-179.9-116.2178.3-179178.70114.7Q408Q408-K410 PolarHBondContact O-N 3.28Å
411K36.8Very low36.2Very low179 Ų179148.2 Ų148.278%0.77878%0.784SS**SBendtrans-100.1-0.1-172.3-132.1176.9-176.9-176.40115.6
412S37.8Very low36.2Very low108 Ų108149.8 Ų149.876%0.75579%0.787SS**SBendtrans-108.98.8-175.952.50000115
413A38.5Very low36.1Very low90 Ų90144.7 Ų144.774%0.74478%0.775SS**SBendtrans-125.712.8-176.500000114.1
414L34.7Very low35.9Very low161 Ų161146.4 Ų146.484%0.84378%0.775SS**  trans-143.947.6-173.7-108.3157.8000111.6
415V33.6Very low35.6Very low120 Ų120146.7 Ų146.773%0.72778%0.777SS**  trans-134.492.8169.6-177.60000107.7
416N31.8Very low35Very low167 Ų167143.5 Ų143.589%0.89377%0.772SS**SBendtrans166.262.9158.4-89.9-3.6000110.1
417S31.4Very low34.6Very low102 Ų102146.2 Ų146.271%0.71377%0.773SS**SBendtrans-164.3149.7160.8-169.10000107.3
418N31.9Very low34.1Very low139 Ų139147.7 Ų147.774%0.74378%0.783SS**  trans69.983.2175-45.98.6000114.6
419N33Very low33.7Very low160 Ų160143.6 Ų143.686%0.85678%0.784SS**  177.494.9123.7-920000110.6
420E33.2Very low33.4Very low204 Ų204139.7 Ų139.795%0.95378%0.78SS**  trans-165.1144.9142.2-111.2163.7-170.400108
421Q31.7Very low33Very low181 Ų181137.1 Ų137.185%0.84678%0.779SS**  trans-153.9151.4-163.8-170.6171.2-600107.9
422Q33.6Very low32.8Very low169 Ų169134.8 Ų134.879%0.7978%0.78SS**  trans74.8141.3-174.2-50.2-170.8-96.700113.8
423D32.1Very low32.3Very low120 Ų120133.4 Ų133.464%0.64278%0.783SS**  cis-158.5168.6-9.9-121.7-41.4000113.7
424I32.5Very low32Very low138 Ų138138.7 Ų138.771%0.70879%0.794SS**  trans65.9100.4152.2-65162.5000120.1
425S32.2Very low31.7Very low100 Ų100140.8 Ų140.870%0.69980%0.797SS**  trans34.8136.2136.479.10000121.8
426S30.7Very low31.5Very low95 Ų95147 Ų14766%0.66481%0.807SS**  168.3175.466.354.40000112.9
427Y31.7Very low31.5Very low213 Ų213144.1 Ų144.184%0.83580%0.8SS**  trans60.184.4165.2-72.3-74.5000121.5
428T31.5Very low31.6Very low135 Ų135148 Ų14883%0.82880%0.804SS**  trans-7135.2133.756.80000119
429G32Very low31.6Very low76 Ų76151.3 Ų151.378%0.78481%0.811SS**  trans-17673.5170.800000118.5
430A31.9Very low31.5Very low94 Ų94147.4 Ų147.478%0.77781%0.81SS**  trans47.4127144.100000123.8
431V31.3Very low31.4Very low129 Ų129148.1 Ų148.178%0.78281%0.809SS**  83.6107129.1173.80000121.5
432T32.2Very low31.4Very low130 Ų130143.3 Ų143.380%0.79880%0.8SS**  trans44.495145.267.40000122.3
433G27.6Very low31.3Very low79 Ų79147.2 Ų147.281%0.81481%0.808SS**  47.4109.5111.300000121.6
434M30.4Very low31.2Very low200 Ų200151.3 Ų151.399%0.98582%0.82SS**  trans-140.5170.1153.6-124.2-175.3-179.700112.3
435K28.9Very low31.2Very low205 Ų205149.5 Ų149.589%0.89183%0.826SS**  trans-96.5136.1-161.7-68.4169.8179.7167.10114.5
436R30.3Very low30.9Very low252 Ų252153.6 Ų153.695%0.95184%0.836SS**  trans17.8130.4149-77.1177.9161.9178-5.5119.2
437S30.8Very low31Very low105 Ų105155.5 Ų155.573%0.73484%0.843SS**  trans-150.1114142.2-158.60000115.7
438K33.2Very low30.9Very low185 Ų185153.1 Ų153.180%0.80484%0.84SS**  trans56.2143136.6-72.5176.1174.7171.10123.9
439K32.6Very low31.3Very low207 Ų207154 Ų15490%0.984%0.835SS**  trans82.4112.6151.7-74.2170.5177.8-179.50119.3
440G31.3Very low31.4Very low79 Ų79155.8 Ų155.881%0.81483%0.826SS**  trans-135.6146.7148.700000109.8
441K30.4Very low31.7Very low219 Ų219159.6 Ų159.695%0.95283%0.834SS**  trans-134.9125.5174.7-98.2-173.4173.8-176.50108.8
442A32.9Very low31.9Very low79 Ų79157 Ų15765%0.65383%0.833SS**  trans-154.1136.916700000105.5
443R30.2Very low31.7Very low252 Ų252158.3 Ų158.395%0.95183%0.834SS**  cis57.49218.9-89.1-165.1177.8-171-0.4114
444F31.4Very low31.9Very low206 Ų206164.4 Ų164.490%0.90484%0.838SS**  trans-102.3137.5156.3-78.6-85.7000109.3
445A31Very low31.9Very low100 Ų100160.5 Ų160.583%0.82683%0.826SS**  trans-128.3165.7160.300000106.8
446M26.8Very low32Very low186 Ų186159.3 Ų159.392%0.91683%0.828SS**  trans-89.6160.7-176.6-52.5-155.4-52.500112.5
447V31.6Very low32Very low134 Ų134154 Ų15481%0.81282%0.817SS**  trans158.7145.3162.2144.60000107.2
448E31.5Very low32.2Very low164 Ų164155.1 Ų155.177%0.76682%0.819SS**  cis-169.3-176.8-25.6-160.5160.5-171.100109
449E38.1Very low32.1Very low153 Ų153152.4 Ų152.472%0.71581%0.814SS**  trans81.1112.7154.7-61.9-142.6114.500123.8
450N35.9Very low32Very low114 Ų114149.7 Ų149.761%0.6181%0.809SS**  71109.1123.5-55.1-15.6000123.2
451N38Very low32Very low173 Ų173156 Ų15693%0.92581%0.81SS**  173.4155.5103-90.6-53.7000112.6
452G34.9Very low31.9Very low74 Ų74152.6 Ų152.676%0.76380%0.802SS**  trans122.430.8148.600000123
453L27.7Very low31.9Very low158 Ų158158.9 Ų158.983%0.82781%0.81SS**  trans32.3113.6148.8-166.285.2000121
454K32.3Very low32.1Very low208 Ų208154 Ų15490%0.90480%0.803SS**  trans-161.9147.9130.6-115.8170.7-174.71780113
455T29.5Very low32.1Very low117 Ų117149.2 Ų149.272%0.71879%0.791SS**  trans-104.2143.5-163.750.20000114.4
456L31.7Very low31.9Very low180 Ų180151.2 Ų151.294%0.94279%0.788SS**  trans-146.2151.2147.5-105.8168.8000108.6
457I30.2Very low32.3Very low142 Ų142149.6 Ų149.673%0.72879%0.788SS**  trans-118.5144.9-166.4-63.9163.2000109.3
458V34.8Very low32.4Very low127 Ų127150.7 Ų150.777%0.7779%0.788SS**  trans-177.2106.6134.6149.50000109.2
459D31.7Very low32.5Very low129 Ų129149.8 Ų149.869%0.6978%0.784SS**  trans47.7128.6139.6-45.8-25.3000123.1
460N29.7Very low32Very low150 Ų150150.8 Ų150.880%0.80279%0.786SS**  trans-78159.6163.4-73.6-19.4000111.7
461Y32.2Very low31.9Very low211 Ų211154.9 Ų154.983%0.82780%0.798SS**  trans-125.697.7157.8-103-92.2000109.9Y463Y461-Y463 HydrophobicContact CD1-CD2 4.14Å; Y461-Y463 HydrophobicContact CE1-CD2 4.22Å; Y461-Y463 HydrophobicContact CE1-CE2 4.34Å
462D28.4Very low31.5Very low148 Ų148158 Ų15879%0.79180%0.797SS**  trans-84.1154.7147.2-85.4-54.5000108.1
463Y32.9Very low31.2Very low210 Ų210164.3 Ų164.382%0.82480%0.799SS**  trans-143.7132.5161.9-130.8-85.6000112.4Y461Y461-Y463 HydrophobicContact CD1-CD2 4.14Å; Y461-Y463 HydrophobicContact CE1-CD2 4.22Å; Y461-Y463 HydrophobicContact CE1-CE2 4.34Å
464D34Very low31.3Very low149 Ų149168.8 Ų168.880%0.79781%0.805SS**  trans-86.5170.5-165.4-132.7-41.7000113.6
465T30.5Very low31.2Very low107 Ų107162.5 Ų162.566%0.65679%0.786SS**SBendtrans-83.1157.3177.955.40000113.3
466N28.2Very low31.4Very low142 Ų142164.6 Ų164.676%0.75979%0.792SS**  trans78.1101.2167.1-47-62.5000117.8
467T34.2Very low31.4Very low151 Ų151164.5 Ų164.593%0.92679%0.787SS**  trans-149118142-2.60000113.7
468I33.5Very low31.5Very low157 Ų157169.2 Ų169.281%0.80580%0.796SS**  trans-67.8133178-49.4163.3000110.3
469Q34.1Very low31.4Very low145 Ų145171.1 Ų171.168%0.67880%0.796SS**  167.8126.3119.9-89.8-171.167.500116.6
470K28.1Very low31.3Very low174 Ų174170.2 Ų170.276%0.75780%0.799SS**  trans52118139.5-59.7172.6-176.4155.50121.1
471K32.5Very low31.4Very low200 Ų200171.6 Ų171.687%0.8780%0.8SS**  -164.1124.6123.5-108.1158.9-172.3173.60115
472R31.5Very low31.5Very low238 Ų238166.7 Ų166.790%0.89879%0.793SS**  trans57.178.7149.8-64.8-174.1175.6173.8-1.4121.9
473Y27.9Very low31.5Very low208 Ų208168.1 Ų168.182%0.81680%0.795SS**  2.8135.4123.6-123.3-123.9000120.8P475Y473-P475 VanDerWaalsContact CD1-CD 3.42Å; Y473-P475 HydrophobicContact CD1-CG 3.85Å; Y473-P475 HydrophobicContact CE1-CG 3.5Å
474R29.4Very low31.6Very low251 Ų251164.3 Ų164.395%0.94779%0.793SS**  trans-157.9109.5140.9-108.9-166.2-179-175.11.9110.8
475P31.1Very low31.5Very low77 Ų77166 Ų16650%0.580%0.796SS.*  trans-129.3145.2171.437.5-24.6000114.5Y473Y473-P475 VanDerWaalsContact CD1-CD 3.42Å; Y473-P475 HydrophobicContact CD1-CG 3.85Å; Y473-P475 HydrophobicContact CE1-CG 3.5Å
476N32.9Very low31.4Very low160 Ų160165.6 Ų165.686%0.85680%0.804SS**  trans-124.3108.4156.1-71.4-18.7000105.6
477Q31.8Very low31.5Very low179 Ų179166.2 Ų166.284%0.83681%0.807SS**  56.499.778.8-74-165.6-28.600115.2
478R32.7Very low31.5Very low241 Ų241166.5 Ų166.591%0.90980%0.803SS**  -153.2155.6111.7-98.8168.4-155.9-149.34110.6
479H32.8Very low31.3Very low166 Ų166168.8 Ų168.877%0.76981%0.807SS**  trans-24.1140.6-174.9-66.1-29.1000119.7
480C28.5Very low31.2Very low111 Ų111169.5 Ų169.575%0.7582%0.816SS**  64.4132.268.8-50.10000110.9
481E33.1Very low31.3Very low178 Ų178170.7 Ų170.783%0.83282%0.821SS**  cis-137.1127.230.2-75.6173.6145.400111.7
482T32.7Very low31.3Very low109 Ų109170.6 Ų170.667%0.66982%0.824SS**  51.5107.3102.652.70000119.5
483Q30Very low31.2Very low178 Ų178166.4 Ų166.483%0.83282%0.818SS**  56.995.7126.2-61.3174.1-61.800121.2
484T33.4Very low31.2Very low129 Ų129164.2 Ų164.279%0.79182%0.82SS**  -149123.1119.6360000106.1
485E31.9Very low31.3Very low186 Ų186159.2 Ų159.287%0.86982%0.818SS**  68.6147.975.9-66.3-161.8141.300114D487E485-D487 PolarHBondContact O-N 3.34Å
486A28.9Very low31.4Very low98 Ų98164 Ų16481%0.8183%0.834SS**SBendtrans-84.4102.2-162.800000112.2
487D30.9Very low31.3Very low155 Ų155165.4 Ų165.483%0.82984%0.835SS**  trans-169.589.4148.3-99.9-25.7000111.6E485E485-D487 PolarHBondContact O-N 3.34Å
488N34.7Very low31.1Very low156 Ų156162.3 Ų162.383%0.83483%0.832SS**  trans-162.535.5160.5-112.8-49.6000113.8N490N488-N490 VanDerWaalsContact C-N 3.3Å; N488-N490 PolarHBondContact O-N 2.96Å; N488-N490 VanDerWaalsContact O-N 3.17Å
489F28.8Very low31Very low205 Ų205159 Ų15990%0.89983%0.827SS**  trans-89.556.2180-144-81.1000111.4
490N30.9Very low30.8Very low161 Ų161156.9 Ų156.986%0.86183%0.829SS**SBendtrans-167.847.9178.6-105.4-20.3000116.2N488N488-N490 VanDerWaalsContact C-N 3.3Å; N488-N490 PolarHBondContact O-N 2.96Å; N488-N490 VanDerWaalsContact O-N 3.17Å
491K31.4Very low30.8Very low198 Ų198159.5 Ų159.586%0.86183%0.83SS**SBendtrans-155.533.9169.3-128.6170.3-170.5177.20119.6
492E31.5Very low30.8Very low199 Ų199156.9 Ų156.993%0.9383%0.832SS**  trans-148.357.5169.5-136.8166.1-13400113.2
493L29.8Very low30.6Very low149 Ų149160.5 Ų160.578%0.7884%0.838SS**  trans-137.773.5175.2-164.781.2000110.7
494N29Very low30.6Very low162 Ų162159.3 Ų159.387%0.86684%0.837SS**SBendtrans-151.440.8174.8-118.5-12.2000114
495T30.2Very low30.4Very low147 Ų147158.3 Ų158.390%0.90284%0.835SS**SBendtrans-163.548.5166.717.20000112.1
496Q34.6Very low30.3Very low178 Ų178158.6 Ų158.683%0.83283%0.833SS**  trans-132.2125.9169.4-72.6-165.3-0.900112.1
497Q30.1Very low30.3Very low189 Ų189161.6 Ų161.688%0.88383%0.834SS**  trans-124.598.2177.6-173179.127.400108.7
498C27.2Very low30.2Very low113 Ų113165.1 Ų165.176%0.76484%0.836SS**  trans64136.9176-65.30000115.8
499Q29.9Very low29.9Very low172 Ų172162.1 Ų162.180%0.80483%0.827SS**  cis-158.8151.418-125.31639.300112.1
500C30.1Very low30Very low121 Ų121163.6 Ų163.682%0.81883%0.826SS**  trans50.496.2153.2-62.30000120.3
501H28.3Very low30Very low166 Ų166160.9 Ų160.977%0.76982%0.82SS**  trans-60.9147.4158.9-89.9-138.4000113.6
502S33.2Very low30Very low123 Ų123159.6 Ų159.686%0.8682%0.822SS**  -146.7119.7121.164.10000111.3
503K28.2Very low30.1Very low185 Ų185155 Ų15580%0.80481%0.808SS**  trans-93.6126166.1-77.9-177.3176.5178.20107.8
504L30.7Very low30.4Very low153 Ų153152.8 Ų152.880%0.80180%0.802SS**  trans-156102.4155.9-120.1160.9000111.8K506L504-K506 PolarHBondContact O-N 3.24Å
505S27.8Very low30.4Very low109 Ų109150.3 Ų150.376%0.76280%0.798SS**  trans-69.8116.3165.442.60000109.7
506K30.8Very low30.3Very low191 Ų191152.5 Ų152.583%0.8379%0.794SS**  trans-164.5136.8151.1-108.9146.2-168.4174.20114.6L504L504-K506 PolarHBondContact O-N 3.24Å
507I28Very low30.1Very low162 Ų162153.2 Ų153.283%0.83180%0.795SS**  trans-39.9155.5159.1-64.5152.7000113
508R29.6Very low30.1Very low229 Ų229150.9 Ų150.986%0.86479%0.789SS**  trans100.195.7164.3-96.5-178.1177153-0.4119.6
509S28.9Very low30.4Very low92 Ų92152.5 Ų152.564%0.64379%0.79SS**  59.5120.8114.869.50000122.6
510R29.6Very low30.5Very low236 Ų236150.2 Ų150.289%0.89179%0.791SS**  trans76.9132.1141.1-74.1-173.8171.6-177.3-2.2120.7
511S30.3Very low30.5Very low104 Ų104151.2 Ų151.273%0.72779%0.789SS**  trans58106.4146.460.30000119.1
512L33.4Very low30.7Very low171 Ų171150 Ų15090%0.89579%0.787SS**  -167.1130.592.8-94.2153.8000110.6
513T33Very low30.8Very low104 Ų104152.4 Ų152.464%0.63879%0.789SS**  trans-102.3-174.2173.758.30000109.9D307D307-T513 PolarHBondContact OD2-OG1 3.42Å
514P35.9Very low30.9Very low101 Ų101146.8 Ų146.866%0.65678%0.783SS**  -128.8169.3-81.739-24.3000113
515S28.5Very low30.8Very low111 Ų111147.2 Ų147.278%0.77679%0.787SS**  trans-177.1150.7146.5430000114.9
516K28.5Very low31.1Very low192 Ų192147.9 Ų147.984%0.83579%0.791SS**  trans36.8108148.7-63.2179.9178.5-174.70118.9
517F30.5Very low31.1Very low193 Ų193147.8 Ų147.885%0.84679%0.794SS**  trans-138.398.4137.4-105.6-79.9000110.2
518N29.2Very low31.4Very low140 Ų140149.2 Ų149.275%0.74980%0.797SS**  trans-131.5163.2154.2-105.325.3000105.7
519D33.2Very low31.4Very low147 Ų147143.7 Ų143.779%0.78679%0.79SS**  trans67.597.5170.2-43.1-29.6000115.6
520C31.9Very low31.3Very low124 Ų124145 Ų14584%0.83880%0.798SS**  trans-139.286156.1-840000107.2
521D30.4Very low31.3Very low143 Ų143140.7 Ų140.777%0.76580%0.799SS**  trans-103.4148.2-177.2-150-1000110.8
522I33Very low31.2Very low141 Ų141141.9 Ų141.972%0.72381%0.805SS**  trans51.1111.2166.6-53.4156.2000117.8
523L35.2Very low31Very low173 Ų173139.8 Ų139.891%0.90680%0.803SS**  -176.6125.5123.2-103.2168.7000114.2
524G30.6Very low30.9Very low67 Ų67143.6 Ų143.669%0.69181%0.814SS**  trans87.2102.7142.500000120.3
525N28.5Very low30.8Very low162 Ų162149.1 Ų149.187%0.86682%0.823SS**  trans29.1111.4146.2-65.9-7.1000120.3
526S33.8Very low31Very low123 Ų123154.1 Ų154.186%0.8683%0.827SS**  -172.2165.6109.437.40000112.4
527Q30.8Very low31Very low188 Ų188156.4 Ų156.488%0.87983%0.832SS**  trans-79.6124.1-167.3-58143.7-47.300112.8
528Q35Very low31.1Very low193 Ų193158.6 Ų158.690%0.90283%0.834SS**  trans-169145.9142.2-109.9163.311.100112.4
529P28.7Very low31.3Very low112 Ų112156 Ų15673%0.72783%0.827SS**  trans-110164.4-174.540.9-34.9000115.6
530C26.5Very low31.3Very low119 Ų119159.8 Ų159.880%0.80483%0.832SS**  trans64.2117.3153.6-66.40000121.5
531T31.5Very low31.5Very low147 Ų147160.6 Ų160.690%0.90283%0.833SS**SBendtrans-150.287.6131.150.70000110.8
532C27.8Very low31.6Very low129 Ų129159 Ų15987%0.87283%0.83SS**SBendtrans-158.1-16.1167.5-149.70000116.3
533C28.9Very low31.5Very low126 Ų126157.6 Ų157.685%0.85183%0.833SS**  trans-126.474.2-177.5-63.70000112.2
534Q29.6Very low31.6Very low184 Ų184156.3 Ų156.386%0.8683%0.832SS**  trans-142.264.5170.5-81.8-164-28.200112.3
535Y33.8Very low31.6Very low217 Ų217161.9 Ų161.985%0.85184%0.84SS**SBendtrans-149.6143151.5-100.8-75.3000108.9
536Y32.8Very low31.7Very low217 Ų217159.8 Ų159.885%0.85184%0.837SS**  trans6084-178.3-64.4-84.1000117.5
537Y29.2Very low31.5Very low239 Ų239159.4 Ų159.494%0.93783%0.83SS**  trans-148.1103.2137.6-115.7-75.8000112.6
538R32Very low31.7Very low239 Ų239157.9 Ų157.990%0.90283%0.826SS**  trans-144.8134.9157.4-95.2-171.1174.2-172.5-0.6103.9
539S34Very low31.4Very low86 Ų86155 Ų15560%0.60183%0.826SS**  cis-156.1153.17.9-89.50000110.1
540Y34.2Very low31.7Very low227 Ų227154.4 Ų154.489%0.8982%0.824SS**  trans57.4117.5160.1-81.6-117.4000119.7
541V35.1Very low32Very low141 Ų141154.9 Ų154.986%0.85583%0.826SS**  178.2138.7128.1145.80000108.2
542P32.9Very low32.4Very low109 Ų109155.9 Ų155.971%0.70883%0.825SS**  trans-93.2135.7-166.834.9-35.8000116.1
543S30Very low32.7Very low111 Ų111154.6 Ų154.678%0.77682%0.815SS**  trans41.195143.464.10000120.6
544T37.7Very low32.8Very low146 Ų146155.3 Ų155.390%0.89682%0.815SS**  trans-138146.914045.80000110.2
545H31.4Very low33.3Very low185 Ų185154.2 Ų154.286%0.85681%0.813SS**  trans-72.5142.7177.3-83.2-111.7000111.6
546C29Very low33.1Very low118 Ų118148.8 Ų148.880%0.79781%0.807SS**  trans-143.5137.6152.3-163.40000110.2
547T31.2Very low33.2Very low115 Ų115142.9 Ų142.971%0.70680%0.803SS**  trans-118.897.6-163.1500000112
548I35.5Very low33.5Very low155 Ų155137.1 Ų137.180%0.79580%0.797SS**  trans-135.470.6172.5-48.9-178.9000109.7
549C27.7Very low33.8Very low133 Ų133130 Ų13090%0.89979%0.785SS**  trans-161.471.7169.6-98.90000110.4
550S34.1Very low34Very low100 Ų100133.2 Ų133.270%0.69980%0.795SS**  trans-147.4126.6175.46.20000110.4
551P33.8Very low34.2Very low129 Ų129127.5 Ų127.584%0.83879%0.786SS**  trans-79.3146.3177.932.6-34.2000111.3
552L39.2Very low34.3Very low168 Ų168131.7 Ų131.788%0.8879%0.786SS**  trans-129.3156.5174.7-77.5174.4000111.4
553P34.6Very low34.5Very low102 Ų102132.2 Ų132.266%0.66279%0.788SS**  trans-108.8168.8-137.639.7-36.6000115.6
554V30.2Very low34.9Very low140 Ų140134 Ų13485%0.84879%0.787SS**  trans-65.2130.3169.6179.20000110.6
555I41.1Very low35Very low162 Ų162134.2 Ų134.283%0.83178%0.783SS**  trans-123.9136.8165.4-62.1179.1000108.3
556S30.1Very low35.1Very low102 Ų102130.6 Ų130.671%0.71378%0.776SS**  trans-139.4128.4-177.960.20000111.6
557A33.6Very low35.3Very low94 Ų94136.1 Ų136.178%0.77778%0.78SS**  trans170.5153.4141.300000112.6
558S35.1Very low35.5Very low117 Ų117137.4 Ų137.482%0.81878%0.782SS**  trans64.5142.2156.7-88.80000120.1
559S38.4Very low35.4Very low91 Ų91138.3 Ų138.364%0.63678%0.782SS**  cis-167.6163.5-12.842.70000113.2
560N39.6Very low35.8Very low153 Ų153138 Ų13882%0.81878%0.782SS**  trans86.4150.3154.2-72.6-19.9000121.5
561P38.5Very low35.8Very low107 Ų107138 Ų13870%0.69578%0.782SS**  trans-139.5-158.8-144.242.5-21.1000114.9
562R36.5Very low36.1Very low228 Ų228142 Ų14286%0.8679%0.786SS**  trans108.2137.9177.3-63.7170.5-174.7-171.73.1111.7
563T38.1Very low36.2Very low121 Ų121142.4 Ų142.474%0.74278%0.783SS**  cis-160166.5-0.84.30000112.8
564L37.7Very low36.3Very low147 Ų147140.4 Ų140.477%0.7778%0.781SS**  trans84.3100.1153.1-105.274000122.3
565N39.1Very low37.1Very low151 Ų151144.1 Ų144.181%0.80779%0.786SS**  92136.5128-89.1-4.1000123
566P35Very low37.5Very low109 Ų109143.2 Ų143.271%0.70878%0.778SS**  trans-125.6163.6-172.443.2-29.6000116
567R31.8Very low38.7Very low235 Ų235143 Ų14389%0.88777%0.774SS**  -176.4160.5123-107.8174.5179.3177.20.9114.2
568I35.2Very low39.7Very low142 Ų142147.5 Ų147.573%0.72878%0.779SS**  trans83.890.1162.4-63.7152.6000118.3
569Q34.3Very low40.7Very low173 Ų173149.3 Ų149.381%0.80878%0.779SS**  78.3129.6125.8-68.1178.8-15.200124.6
570S36.5Very low42.1Very low128 Ų128146.7 Ų146.790%0.89576%0.761SS**  trans85.4125.6148.278.10000118.7
571S33.3Very low43.5Very low100 Ų100145.1 Ų145.170%0.69975%0.753SS**  trans-108.6122.7-174.648.30000111.8
572K39.9Very low44.9Very low213 Ų213144.9 Ų144.993%0.92675%0.749SS**PPolyproline II helixtrans-79.2125.2158.9-72.9-177.3176.6178.60108.5G574K572-G574 PolarHBondContact O-N 2.77Å
573H41.6Very low46Very low175 Ų175137 Ų13781%0.8173%0.728SS**PPolyproline II helixtrans-71126.2172.9-82.6-88.8000110.6
574G37.6Very low47.2Very low61 Ų61137.9 Ų137.963%0.62972%0.722SS**PPolyproline II helixtrans-74159.3163.900000111.6K572 H576K572-G574 PolarHBondContact O-N 2.77Å; G574-H576 PolarHBondContact O-N 3.24Å
575K45.5Very low48.4Very low217 Ų217137.7 Ų137.794%0.94372%0.717SS**PPolyproline II helixtrans-62.4126.7177.7-63.9-177178.1-175.20110.5
576H50.5Low49.5Very low144 Ų144136.8 Ų136.867%0.66771%0.707SS**PPolyproline II helixtrans-87.2146.4164.7-101.6-90.7000110.2G574G574-H576 PolarHBondContact O-N 3.24Å
577P55Low50.6Low97 Ų97136.7 Ų136.763%0.6370%0.7SS**PPolyproline II helixtrans-69.7149.6174.729.4-35.1000112N579 C580P577-N579 PolarHBondContact O-N 3.07Å; P577-N579 VanDerWaalsContact O-N 3.09Å; P577-C580 PolarHBondContact O-N 2.93Å
578E54.9Low51.8Low189 Ų189130.3 Ų130.388%0.88368%0.684SS**THydrogen-bonded Turntrans-70.5-12.3-163-54.8-172.9144.300114.8C580E578-C580 VanDerWaalsContact C-N 3.26Å; E578-C580 PolarHBondContact O-N 3.42Å
579N56.3Low52.6Low154 Ų154127.3 Ų127.382%0.82468%0.68SS**THydrogen-bonded Turntrans-83.211.4-179.6-67.7-30.8000114.4P577 N581P577-N579 PolarHBondContact O-N 3.07Å; P577-N579 VanDerWaalsContact O-N 3.09Å; N579-N581 PolarHBondContact O-N 3.33Å
580C67.8Low53.2Low37 Ų37125.3 Ų125.325%0.2567%0.674CS.*  trans-75.8111.3179.1-174.80000112.4P577 E578 V582 C583 K584P577-C580 PolarHBondContact O-N 2.93Å; E578-C580 VanDerWaalsContact C-N 3.26Å; E578-C580 PolarHBondContact O-N 3.42Å; C580-V582 PolarHBondContact O-N 2.9Å; C580-V582 VanDerWaalsContact O-N 3.16Å; C580-C583 HydrophobicContact CB-CB 4.14Å; C580-C583 WeakPolarHBondContact O-CB 3.45Å; C580-C583 PolarHBondContact O-N 3.41Å; C580-K584 PolarHBondContact O-N 3.01Å; C580-K584 VanDerWaalsContact O-N 3.08Å
581N68.1Low53.4Low120 Ų120125.5 Ų125.564%0.64266%0.663SS**Hα-helixtrans-56.1-31.7178.1-79.5-27.6000113.9N579 K584 Q585N579-N581 PolarHBondContact O-N 3.33Å; N581-K584 PolarHBondContact O-N 3.33Å; N581-Q585 WeakPolarHBondContact O-CG 3.43Å; N581-Q585 PolarHBondContact O-N 3.16Å
582V67.5Low53.5Low102 Ų102130.9 Ų130.962%0.61867%0.669SS**Hα-helixtrans-67.5-41.9177.1-175.10000111C580 K584 Q585 H586C580-V582 PolarHBondContact O-N 2.9Å; C580-V582 VanDerWaalsContact O-N 3.16Å; V582-K584 VanDerWaalsContact C-N 3.32Å; V582-K584 PolarHBondContact O-N 3.07Å; V582-Q585 PolarHBondContact O-N 3.12Å; V582-H586 PolarHBondContact O-N 3.18Å
583C60.1Low53.4Low63 Ų63129.6 Ų129.643%0.42666%0.663SS.*Hα-helixtrans-64.8-37.6174.2-60.80000111.4C580 H586 L587C580-C583 HydrophobicContact CB-CB 4.14Å; C580-C583 WeakPolarHBondContact O-CB 3.45Å; C580-C583 PolarHBondContact O-N 3.41Å; C583-H586 PolarHBondContact O-N 3.21Å; C583-L587 PolarHBondContact O-N 3.17Å
584K62.7Low53.2Low139 Ų139127.6 Ų127.660%0.60466%0.664SS**Hα-helixtrans-64.6-38.9177.4-150.5166.7-169.5167.80112.4C580 N581 V582 N588C580-K584 PolarHBondContact O-N 3.01Å; C580-K584 VanDerWaalsContact O-N 3.08Å; N581-K584 PolarHBondContact O-N 3.33Å; V582-K584 VanDerWaalsContact C-N 3.32Å; V582-K584 PolarHBondContact O-N 3.07Å; K584-N588 WeakPolarHBondContact O-CB 3.47Å; K584-N588 VanDerWaalsContact O-CG 3.28Å; K584-N588 PolarHBondContact O-N 2.7Å
585Q64.5Low53Low143 Ų143133.3 Ų133.367%0.66867%0.674SS**Hα-helixtrans-66-40.4170.7-72.1175.9-9.500112N581 V582 N588 A589N581-Q585 WeakPolarHBondContact O-CG 3.43Å; N581-Q585 PolarHBondContact O-N 3.16Å; V582-Q585 PolarHBondContact O-N 3.12Å; Q585-N588 PolarHBondContact O-N 2.92Å; Q585-A589 PolarHBondContact O-N 3.3Å
586H62.4Low52.2Low132 Ų132128.2 Ų128.261%0.61166%0.661SS**Hα-helixtrans-67.7-37.9179.3-14699.8000113V582 C583 A589 L590V582-H586 PolarHBondContact O-N 3.18Å; C583-H586 PolarHBondContact O-N 3.21Å; H586-A589 PolarHBondContact O-N 2.89Å; H586-L590 PolarHBondContact O-N 2.95Å
587L57.6Low51.2Low106 Ų106128.1 Ų128.156%0.55567%0.665SS**Hα-helixtrans-66.2-44.6173.5-118.191.4000111.8C583 A589 L590 M591C583-L587 PolarHBondContact O-N 3.17Å; L587-A589 PolarHBondContact O-N 2.83Å; L587-L590 PolarHBondContact O-N 3.06Å; L587-M591 PolarHBondContact O-N 3.11Å
588N55.9Low50.1Low102 Ų102131.4 Ų131.455%0.54568%0.678SS.*Hα-helixtrans-64-30.2179.2-74-5.6000112.5K584 Q585 L590K584-N588 WeakPolarHBondContact O-CB 3.47Å; K584-N588 VanDerWaalsContact O-CG 3.28Å; K584-N588 PolarHBondContact O-N 2.7Å; Q585-N588 PolarHBondContact O-N 2.92Å; N588-L590 VanDerWaalsContact C-N 3.27Å; N588-L590 PolarHBondContact O-N 2.82Å
589A52.7Low48.9Very low78 Ų78132.5 Ų132.565%0.64568%0.675SS**Hα-helixtrans-69-22172.600000113.8Q585 H586 L587Q585-A589 PolarHBondContact O-N 3.3Å; H586-A589 PolarHBondContact O-N 2.89Å; L587-A589 PolarHBondContact O-N 2.83Å
590L46Very low47.6Very low131 Ų131134 Ų13469%0.68668%0.675SS**Hα-helixtrans-95.6-19.1-177.6-71.9169.6000114.2H586 L587 N588H586-L590 PolarHBondContact O-N 2.95Å; L587-L590 PolarHBondContact O-N 3.06Å; N588-L590 VanDerWaalsContact C-N 3.27Å; N588-L590 PolarHBondContact O-N 2.82Å
591M41.5Very low45.8Very low133 Ų133137.4 Ų137.466%0.65570%0.699SS**SBendtrans-87.83.9-177-66.9-158.3-68.800115.2L587 K593L587-M591 PolarHBondContact O-N 3.11Å; M591-K593 PolarHBondContact O-N 2.86Å
592Y36.5Very low44.1Very low212 Ų212139 Ų13983%0.83171%0.706SS**  trans-92.442.6-172.4-130.6-83.8000115.5
593K36.3Very low42.2Very low186 Ų186141 Ų14181%0.80971%0.713SS**SBendtrans-177.5133.4165.8-105.7158.8-177.6175.30108.9M591M591-K593 PolarHBondContact O-N 2.86Å
594T37.8Very low40.7Very low133 Ų133146.6 Ų146.682%0.81673%0.725SS**  cis-151.9156.8-2.1-15.60000109
595H34.5Very low39.2Very low181 Ų181148 Ų14884%0.83873%0.733SS**  trans-66.5160.6179.1-115.6-99.7000113.7
596T28.7Very low37.6Very low110 Ų110146 Ų14668%0.67574%0.735SS**  trans-74.1165.7167.944.30000112.6
597N29.4Very low36.2Very low142 Ų142148.8 Ų148.876%0.75975%0.751SS**  trans73.9110.3-175.1-44.5-18.5000111.5
598D31.8Very low35.2Very low167 Ų167149.5 Ų149.589%0.89376%0.76SS**  -154.8162.864.9-91.2-29.5000114.7
599Y28.1Very low34.1Very low212 Ų212151.9 Ų151.983%0.83177%0.773SS**  trans-101.1149174.3-114-95.6000111.4
600F28.9Very low33.2Very low186 Ų186153.7 Ų153.782%0.81678%0.778SS**  trans61.1113.8173.2-68.9-81.4000118.7
601S30.4Very low32.7Very low108 Ų108153 Ų15376%0.75578%0.784SS**  146.7138.6106.568.10000117.2
602I32Very low32.4Very low153 Ų153155.4 Ų155.479%0.78580%0.796SS**  trans5595.6144.2-56.1164.5000119.7
603N27.8Very low32.4Very low143 Ų143151 Ų15177%0.76579%0.794SS**  30.6126.5124.7-90-56.8000122.7
604R29.4Very low32.1Very low181 Ų181151.5 Ų151.568%0.68380%0.796SS**  trans88.2116.3132.2-82.4-173175.9-153.30.8122.2
605H32.1Very low31.9Very low168 Ų168153 Ų15378%0.77880%0.799SS**  trans71.6154.5148.8-53.6-50.3000116.7
606S30.7Very low31.6Very low102 Ų102151.3 Ų151.371%0.71380%0.796SS**  cis-150.5157.611.9540000112.9
607M32.3Very low31.7Very low190 Ų190154 Ų15494%0.93681%0.806SS**  trans-144.2147.2144-88.3-149.8154.200113.4
608T35.8Very low32Very low122 Ų122152.6 Ų152.675%0.74881%0.808SS**  trans-125.1157.6166.8460000105.8
609N33.2Very low31.9Very low151 Ų151153.4 Ų153.481%0.80781%0.811SS**  cis-149176.417.5-127.511000109.7
610P35.1Very low32.1Very low117 Ų117149 Ų14976%0.7681%0.81SS**  trans-106.6165-163.740-36.2000116.5
611S35.3Very low32.4Very low116 Ų116145.2 Ų145.281%0.81181%0.807SS**  trans-156.6160.1155.761.20000112.5
612M33.9Very low32.7Very low183 Ų183149 Ų14990%0.90181%0.812SS**SBendtrans73.4153178.1-76.9-159.7154.300119.3
613P36Very low33Very low121 Ų121147.2 Ų147.279%0.78680%0.803SS**PPolyproline II helixtrans-102.6168.5-15039.5-35.6000115.5
614F31.8Very low33.3Very low195 Ų195150.5 Ų150.586%0.85581%0.805SS**PPolyproline II helixtrans-93.8135.6179.4-82.6-101.9000113
615D32.5Very low33.8Very low166 Ų166148.2 Ų148.289%0.88880%0.797SS**PPolyproline II helixtrans-78142153.3-94.1-48.2000110.9N617D615-N617 PolarHBondContact O-N 3.35Å
616N28.5Very low33.8Very low145 Ų145146.2 Ų146.278%0.77579%0.788SS**SBendtrans-85.1107.9178.7-69-60.3000110.7
617N31.5Very low34.3Very low165 Ų165149.4 Ų149.488%0.88279%0.785SS**  trans160.673.6139-81.6-32.2000113.2D615D615-N617 PolarHBondContact O-N 3.35Å
618S34.5Very low34.5Very low114 Ų114149.7 Ų149.780%0.79778%0.776SS**  trans-147.2132.814978.10000110.8C620S618-C620 PolarHBondContact O-N 3.25Å
619L31.2Very low34.6Very low183 Ų183151.7 Ų151.796%0.95878%0.782SS**  trans-100.275.9-168.6-160.9119000111.3
620C30.4Very low35Very low119 Ų119148 Ų14880%0.80478%0.779SS**  trans-138.6105.2177.8-157.30000111.1S618S618-C620 PolarHBondContact O-N 3.25Å
621S35.6Very low35.1Very low107 Ų107151.9 Ų151.975%0.74878%0.779SS**  trans-128.1133.2178.658.90000111.9
622H37.2Very low35.3Very low189 Ų189150.4 Ų150.488%0.87577%0.767SS**  trans-71.9128.5-173.1-76.2-102.5000112.6R624H622-R624 PolarHBondContact O-N 2.91Å
623I38.9Very low35.7Very low114 Ų114144.6 Ų144.659%0.58575%0.748SS**  trans-74.7116.2164.7-63176.4000108.9Y625 L634I623-Y625 HydrophobicContact CG2-CD2 4.3Å; I623-Y625 HydrophobicContact CG2-CE1 4.4Å; I623-Y625 HydrophobicContact CG2-CE2 3.86Å; I623-L634 HydrophobicContact CG2-CD2 3.69Å
624R33.9Very low35.8Very low213 Ų213144.6 Ų144.680%0.80474%0.741SS**  trans-100.9112.9173.9179.8-178.2-81-179.9-3.4109.9H622H622-R624 PolarHBondContact O-N 2.91Å
625Y38.5Very low36.3Very low132 Ų132141.8 Ų141.852%0.51873%0.733SS.*  trans-80.5136.7171.3-64.3-84.9000111.3I623 P632 L634I623-Y625 HydrophobicContact CG2-CD2 4.3Å; I623-Y625 HydrophobicContact CG2-CE1 4.4Å; I623-Y625 HydrophobicContact CG2-CE2 3.86Å; Y625-P632 HydrophobicContact CD1-CB 4.49Å; Y625-L634 HydrophobicContact CE1-CG 4.33Å
626E33.4Very low36.5Very low126 Ų126137.8 Ų137.859%0.58972%0.718SS**EExtended strand (participates in β ladder)trans-129135164.1-171.6167-112.900109.8
627Y40.4Very low36.7Very low170 Ų170136 Ų13667%0.66772%0.715SS**EExtended strand (participates in β ladder)trans-90.3119.2-178.7-79.4-99.3000110.5
628R35.9Very low37Very low195 Ų195137.8 Ų137.874%0.73671%0.71SS**EExtended strand (participates in β ladder)trans-117.3141.1158.5-76.6-172.3176.5-165.40.1109G630 R631R628-G630 PolarHBondContact O-N 3.22Å; R628-G630 VanDerWaalsContact O-N 3.08Å; R628-R631 PolarHBondContact O-N 3.3Å
629N39.3Very low36.9Very low164 Ų164135.8 Ų135.888%0.87771%0.708SS**THydrogen-bonded Turntrans49.638.8170.1-55.57.8000114.9R631N629-R631 VanDerWaalsContact C-N 3.29Å; N629-R631 PolarHBondContact O-N 2.86Å
630G40.5Very low37Very low73 Ų73135.3 Ų135.375%0.75370%0.7SS**THydrogen-bonded Turntrans72.78.117300000116.4R628R628-G630 PolarHBondContact O-N 3.22Å; R628-G630 VanDerWaalsContact O-N 3.08Å
631R37.4Very low36.9Very low200 Ų200136.3 Ų136.376%0.75570%0.698SS**EExtended strand (participates in β ladder)trans-123.7139.7175.7-61.2-174.9-175.2-176.21.5111R628 N629 A633R628-R631 PolarHBondContact O-N 3.3Å; N629-R631 VanDerWaalsContact C-N 3.29Å; N629-R631 PolarHBondContact O-N 2.86Å; R631-A633 PolarHBondContact O-N 3.29Å
632P39.4Very low36.6Very low85 Ų85141.9 Ų141.955%0.55270%0.704SS**EExtended strand (participates in β ladder)trans-72126168.130.1-32.1000109.3Y625Y625-P632 HydrophobicContact CD1-CB 4.49Å
633A43.8Very low36.3Very low61 Ų61139.3 Ų139.350%0.50470%0.696SS.*EExtended strand (participates in β ladder)trans-115.3128.7174.200000109.9R631 I635R631-A633 PolarHBondContact O-N 3.29Å; A633-I635 PolarHBondContact O-N 2.04Å
634L37.9Very low36Very low121 Ų121141.5 Ų141.563%0.63471%0.709SS**  trans-86.5105.9178.7-104.4161.8000110I623 Y625 S636I623-L634 HydrophobicContact CG2-CD2 3.69Å; Y625-L634 HydrophobicContact CE1-CG 4.33Å; L634-S636 PolarHBondContact O-N 2.92Å
635I41.3Very low35.8Very low135 Ų135138.4 Ų138.469%0.69270%0.703SS**  trans-75.5116.3172-59.2178000108.5A633A633-I635 PolarHBondContact O-N 2.04Å
636S37Very low35.4Very low82 Ų82139.1 Ų139.157%0.57372%0.716SS**  trans-70.8130.9174.1-174.50000110.6L634 Y638L634-S636 PolarHBondContact O-N 2.92Å; S636-Y638 PolarHBondContact O-N 2.98Å
637P33.7Very low35.3Very low109 Ų109142.3 Ų142.371%0.70873%0.731SS**SBendtrans-79.434.4-176.134.5-37.6000114.1
638Y37.1Very low34.8Very low201 Ų201142 Ų14279%0.78874%0.74SS**  trans-140.756.8175.3-75.6-73000111.6S636 H640S636-Y638 PolarHBondContact O-N 2.98Å; Y638-H640 VanDerWaalsContact C-N 3.31Å; Y638-H640 PolarHBondContact O-N 2.72Å
639G32.1Very low34.6Very low73 Ų73138.4 Ų138.475%0.75374%0.74SS**  trans-82.471.9167.900000111.1
640H33.2Very low34.1Very low172 Ų172137.1 Ų137.180%0.79674%0.738SS**  trans-72.6135176.6-128.2-86.4000110.5Y638 Y642Y638-H640 VanDerWaalsContact C-N 3.31Å; Y638-H640 PolarHBondContact O-N 2.72Å; H640-Y642 PolarHBondContact O-N 2.96Å
641N27.4Very low33.7Very low140 Ų140140.7 Ų140.775%0.74974%0.74SS**  trans-66.7115.4-178.8-66.7-32.9000110.9
642Y30.7Very low33.5Very low225 Ų225139.4 Ų139.488%0.88274%0.742SS**  trans-109.895.7146.9-91.7-87.3000107.7H640H640-Y642 PolarHBondContact O-N 2.96Å
643L29.6Very low33.2Very low135 Ų135141.1 Ų141.171%0.70775%0.751SS**  trans-70.5123.6157.2-83156.9000106.9
644D32.8Very low32.6Very low160 Ų160146.2 Ų146.286%0.85677%0.77SS**  trans-139.6142.6145.3-127.7-33.4000108.7
645H31Very low32.2Very low147 Ų147147.9 Ų147.968%0.68178%0.779SS**  trans-88.3164.6-170.2-88.2-108.9000112.3
646N29.4Very low31.8Very low148 Ų148146.5 Ų146.579%0.79178%0.779SS**  trans91.766.7164-47.7-37.1000118.7
647E30.4Very low31.4Very low192 Ų192149.7 Ų149.790%0.89779%0.788SS**  -126.495.9129.4-104.5-177.9177.500107.5
648L30.3Very low31.3Very low165 Ų165153.6 Ų153.686%0.86479%0.794SS**  trans-78.4126.1-177.6-158.982.5000109.6T650L648-T650 PolarHBondContact O-N 2.87Å
649T32.7Very low30.9Very low119 Ų119149.2 Ų149.273%0.7379%0.792SS**  trans-63.7119.4175.6420000110.9N651T649-N651 PolarHBondContact O-N 2.79Å
650T29.2Very low31Very low136 Ų136151.3 Ų151.383%0.83480%0.795SS**  trans-70.687.8175.540.70000111.2L648L648-T650 PolarHBondContact O-N 2.87Å
651N32Very low31.1Very low149 Ų149147.7 Ų147.780%0.79779%0.79SS**  trans-109.8140.1164.1-90.3-29.5000110.4T649T649-N651 PolarHBondContact O-N 2.79Å
652H33.2Very low31.2Very low172 Ų172148.2 Ų148.280%0.79679%0.791SS**  trans-74.7161.6-168.6-87.3-113.8000114.4
653T31.4Very low31Very low122 Ų122143.6 Ų143.675%0.74879%0.79SS**  trans57.6100.6158.748.70000117.7
654N32.4Very low31Very low167 Ų167146 Ų14689%0.89380%0.795SS**  -159.8135.5112.9-92-36.6000112
655L28.8Very low30.7Very low156 Ų156145.3 Ų145.382%0.81780%0.796SS**  trans-78.6170.7163.1-82.9105.9000109.4
656P33.4Very low30.6Very low106 Ų106145.5 Ų145.569%0.68880%0.801SS**  cis-142.616021.236.6-14.9000119.9
657I27.8Very low30.6Very low149 Ų149142.8 Ų142.876%0.76479%0.793SS**  trans50.6109.7137.3-55.7164.6000120.1
658K32Very low30.6Very low192 Ų192141 Ų14184%0.83579%0.79SS**  -175.4107.5126.6-98.6169.6-178-179.80107.7
659S29.1Very low30.6Very low109 Ų109137.7 Ų137.776%0.76278%0.781SS**  51120.290.470.50000114
660S33.8Very low30.5Very low116 Ų116140.4 Ų140.481%0.81178%0.783SS**  cis-135-158.6-0.256.50000109.2
661S35.2Very low30.6Very low97 Ų97140.1 Ų140.168%0.67878%0.776SS**  cis-1681576.3110000107
662I31.1Very low30.8Very low150 Ų150140 Ų14077%0.76978%0.776SS**  cis-145.9146.4-0.6-106.4151.9000107.6
663C25.2Very low30.9Very low128 Ų128137 Ų13787%0.86577%0.771SS**  trans-135.795161.7-172.90000108.6
664K29Very low31.1Very low187 Ų187137.2 Ų137.281%0.81377%0.766SS**  trans175.4117.7167.4-106167.2-177.7-178.20109.4
665T26.9Very low31.3Very low145 Ų145139 Ų13989%0.8976%0.762SS**  trans-13882.8163.6-44.70000108.4
666I29.6Very low31.5Very low150 Ų150136.9 Ų136.977%0.76976%0.755SS**  trans-134.7133.4174.1-64.1-178.9000107.6
667S30.2Very low31.7Very low91 Ų91138 Ų13864%0.63676%0.761SS**  trans57.1122167.363.30000119.6
668N29.9Very low32.1Very low156 Ų156138.3 Ų138.383%0.83476%0.764SS**  trans68.2131.2138.6-54.9-4.5000117.4
669S30.1Very low32.5Very low95 Ų95134.4 Ų134.466%0.66476%0.761SS**  cis-173173.416.945.50000112.5
670F29.4Very low33.1Very low176 Ų176133.8 Ų133.877%0.77276%0.756SS**  trans70.3112.4155.3-71-61.7000121.7
671N32.8Very low33.4Very low130 Ų130135.2 Ų135.270%0.69575%0.754SS**  93.2124.5128.7-67.6-13.5000123.1
672N34.9Very low33.9Very low147 Ų147136.5 Ų136.579%0.78676%0.757SS**  trans93.7142.1143.4-68.4-1.3000120.1
673P36.9Very low34.3Very low107 Ų107135.6 Ų135.670%0.69575%0.754SS**  -142.4-145.7-128.639-15.5000115.4
674I34.7Very low35.1Very low127 Ų127135 Ų13565%0.65175%0.746SS**  trans74.1131.1170.5-13.6-177.3000114.2
675Y36.3Very low36Very low205 Ų205134 Ų13480%0.80475%0.75SS**  cis-130.514819.9-85-91.2000116.7
676T34.2Very low37.3Very low111 Ų111130.2 Ų130.268%0.68173%0.729SS**  trans-9.3152.2153.1530000120.4
677T36.9Very low38.5Very low131 Ų131131.6 Ų131.680%0.80473%0.732SS**  cis-142.7171.947.346.30000116.6
678N36.2Very low39.5Very low154 Ų154136.5 Ų136.582%0.82474%0.742SS**  trans-80.1168.6-174.6-47.4-39.1000112.3
679S40.4Very low40.7Very low111 Ų111131.5 Ų131.578%0.77672%0.723SS**  cis-172.6170.730.255.60000109.9
680S40.7Very low41.8Very low95 Ų95132.2 Ų132.266%0.66472%0.718SS**  cis-175.7153.9-2455.80000112.9
681I41.6Very low43Very low147 Ų147130.7 Ų130.775%0.75471%0.714SS**  trans79.9110.1146.5-70.3162.7000121.9
682T44Very low44.1Very low123 Ų123130.5 Ų130.576%0.75571%0.709SS**  trans43.6128.9147.163.70000121.9
683N41Very low45.3Very low132 Ų132128.7 Ų128.771%0.70670%0.698SS**  cis71.1137.437.8-141.622.7000112.6
684V41.9Very low46.3Very low116 Ų116129.6 Ų129.670%0.70369%0.693SS**  cis-146.713842.6174.90000113.4
685N46.9Very low47.5Very low164 Ų164129.6 Ų129.688%0.87769%0.692SS**  trans-177.985.9156-107-25.8000110.7
686S54.7Low48.8Very low67 Ų67123 Ų12347%0.46967%0.673SS.*  trans-151.8-9.3-167.358.20000121.3K688 A689 L690S686-K688 PolarHBondContact O-N 2.93Å; S686-A689 WeakPolarHBondContact O-CB 3.38Å; S686-A689 PolarHBondContact O-N 3.39Å; S686-L690 PolarHBondContact O-N 3.04Å; S686-L690 VanDerWaalsContact O-N 3.1Å
687E54.6Low50.4Low178 Ų178120.3 Ų120.383%0.83266%0.659SS**Hα-helixtrans-60.4-42.5-172.9-71-168.7126.900114.4A689 L690E687-A689 VanDerWaalsContact C-N 3.29Å; E687-A689 PolarHBondContact O-N 3.24Å; E687-L690 PolarHBondContact O-N 2.86Å
688K52.4Low52.1Low194 Ų194118.2 Ų118.284%0.84365%0.646SS**Hα-helixtrans-70.3-23175.2-71.3-174.6177.7179.80113.5S686S686-K688 PolarHBondContact O-N 2.93Å
689A55.2Low54Low51 Ų51115.9 Ų115.942%0.42163%0.633SS.*Hα-helixtrans-73.2-35.4173.700000111.3S686 E687 H692 L693S686-A689 WeakPolarHBondContact O-CB 3.38Å; S686-A689 PolarHBondContact O-N 3.39Å; E687-A689 VanDerWaalsContact C-N 3.29Å; E687-A689 PolarHBondContact O-N 3.24Å; A689-H692 PolarHBondContact O-N 2.79Å; A689-L693 WeakPolarHBondContact O-CB 3.35Å; A689-L693 PolarHBondContact O-N 2.9Å
690L52.3Low55.8Low110 Ų110116.3 Ų116.358%0.57663%0.626SS**Hα-helixtrans-64.3-43.1-175.5-167.865.6000112.9S686 E687 H692 L693 Q694S686-L690 PolarHBondContact O-N 3.04Å; S686-L690 VanDerWaalsContact O-N 3.1Å; E687-L690 PolarHBondContact O-N 2.86Å; L690-H692 VanDerWaalsContact C-N 3.35Å; L690-H692 PolarHBondContact O-N 3.14Å; L690-L693 PolarHBondContact O-N 3.28Å; L690-Q694 PolarHBondContact O-N 3.29Å
691Q55.4Low57.6Low145 Ų145117 Ų11768%0.67862%0.621SS**Hα-helixtrans-64.2-39.2174.6-73.8-173.8-23.700112.2L693 Q694 M695Q691-L693 VanDerWaalsContact C-N 3.33Å; Q691-L693 PolarHBondContact O-N 2.98Å; Q691-Q694 PolarHBondContact O-N 3.49Å; Q691-M695 PolarHBondContact O-N 2.89Å
692H55.9Low59.6Low126 Ų126114.9 Ų114.958%0.58361%0.611SS**Hα-helixtrans-66.5-36.1177.5-135.6-64.6000111.8A689 L690 T696A689-H692 PolarHBondContact O-N 2.79Å; L690-H692 VanDerWaalsContact C-N 3.35Å; L690-H692 PolarHBondContact O-N 3.14Å; H692-T696 WeakPolarHBondContact O-CG2 3.47Å; H692-T696 PolarHBondContact O-N 3.28Å; H692-T696 PolarHBondContact O-OG1 2.93Å
693L58.6Low61.4Low109 Ų109114.6 Ų114.657%0.57160%0.602SS**Hα-helixtrans-67.8-36.9173.3-93.2152.5000113.6A689 L690 Q691 T696 S697A689-L693 WeakPolarHBondContact O-CB 3.35Å; A689-L693 PolarHBondContact O-N 2.9Å; L690-L693 PolarHBondContact O-N 3.28Å; Q691-L693 VanDerWaalsContact C-N 3.33Å; Q691-L693 PolarHBondContact O-N 2.98Å; L693-T696 WeakPolarHBondContact CA-OG1 3.3Å; L693-T696 PolarHBondContact O-OG1 3.46Å; L693-S697 WeakPolarHBondContact O-CB 3.37Å; L693-S697 PolarHBondContact O-N 3.38Å; L693-S697 PolarHBondContact O-OG 3.26Å
694Q59.2Low63.5Low125 Ų125115 Ų11558%0.58460%0.598SS**Hα-helixtrans-68.5-40.7172.9-81.5-175.4-8800112L690 Q691 S697 T698L690-Q694 PolarHBondContact O-N 3.29Å; Q691-Q694 PolarHBondContact O-N 3.49Å; Q694-S697 PolarHBondContact O-N 3.38Å; Q694-S697 PolarHBondContact O-OG 3.45Å; Q694-S697 VanDerWaalsContact O-OG 3.06Å; Q694-T698 PolarHBondContact O-N 3Å; Q694-T698 PolarHBondContact O-OG1 3.5Å
695M58.2Low65.5Low128 Ų128113 Ų11363%0.63159%0.586SS**Hα-helixtrans-64.3-45.8177.9-160.7-172.1-55.900111.2Q691 S697 T698 L699Q691-M695 PolarHBondContact O-N 2.89Å; M695-S697 VanDerWaalsContact C-N 3.35Å; M695-S697 PolarHBondContact O-N 3.37Å; M695-T698 PolarHBondContact O-N 3.49Å; M695-T698 PolarHBondContact O-OG1 2.71Å; M695-L699 PolarHBondContact O-N 2.97Å
696T63.7Low67.4Low66 Ų66109.8 Ų109.841%0.40557%0.567SS.*Hα-helixtrans-65.7-34176.754.40000112.9H692 L693 L699 L700H692-T696 WeakPolarHBondContact O-CG2 3.47Å; H692-T696 PolarHBondContact O-N 3.28Å; H692-T696 PolarHBondContact O-OG1 2.93Å; L693-T696 WeakPolarHBondContact CA-OG1 3.3Å; L693-T696 PolarHBondContact O-OG1 3.46Å; T696-L699 PolarHBondContact O-N 3.02Å; T696-L700 WeakPolarHBondContact O-CB 3.42Å; T696-L700 PolarHBondContact O-N 2.93Å
697S67.7Low68.9Low55 Ų55112.6 Ų112.639%0.38557%0.573SS.*Hα-helixtrans-68.8-39.3175.876.60000112.7L693 Q694 M695 L699 L700 I701L693-S697 WeakPolarHBondContact O-CB 3.37Å; L693-S697 PolarHBondContact O-N 3.38Å; L693-S697 PolarHBondContact O-OG 3.26Å; Q694-S697 PolarHBondContact O-N 3.38Å; Q694-S697 PolarHBondContact O-OG 3.45Å; Q694-S697 VanDerWaalsContact O-OG 3.06Å; M695-S697 VanDerWaalsContact C-N 3.35Å; M695-S697 PolarHBondContact O-N 3.37Å; S697-L699 VanDerWaalsContact C-N 3.35Å; S697-L699 PolarHBondContact O-N 2.97Å; S697-L700 PolarHBondContact O-N 2.87Å; S697-I701 VanDerWaalsContact O-CG1 3.31Å; S697-I701 WeakPolarHBondContact O-CG1 3.47Å; S697-I701 PolarHBondContact O-N 3.33Å
698T73.5Confident70.4Confident86 Ų86107.8 Ų107.853%0.52856%0.556SS.*Hα-helixtrans-63.6-38.8172.656.20000112.5Q694 M695 I701 L702Q694-T698 PolarHBondContact O-N 3Å; Q694-T698 PolarHBondContact O-OG1 3.5Å; M695-T698 PolarHBondContact O-N 3.49Å; M695-T698 PolarHBondContact O-OG1 2.71Å; T698-I701 PolarHBondContact O-N 3.32Å; T698-L702 WeakPolarHBondContact O-CB 3.41Å; T698-L702 PolarHBondContact O-N 3.07Å
699L76.6Confident72.1Confident106 Ų106103.4 Ų103.456%0.55554%0.539SS*.Hα-helixtrans-64.2-43.3174.2-167.373.9000111.4M695 T696 S697 L702 M703M695-L699 PolarHBondContact O-N 2.97Å; T696-L699 PolarHBondContact O-N 3.02Å; S697-L699 VanDerWaalsContact C-N 3.35Å; S697-L699 PolarHBondContact O-N 2.97Å; L699-L702 PolarHBondContact O-N 2.9Å; L699-M703 HydrophobicContact CG-SD 4.31Å; L699-M703 WeakPolarHBondContact O-CB 3.2Å; L699-M703 VanDerWaalsContact O-CG 3.32Å; L699-M703 WeakPolarHBondContact O-CG 3.36Å; L699-M703 PolarHBondContact O-N 2.85Å
700L76.7Confident73.7Confident120 Ų120105 Ų10563%0.62854%0.543SS*.Hα-helixtrans-62.7-41177.6-115.5159.9000112.6T696 S697 K704T696-L700 WeakPolarHBondContact O-CB 3.42Å; T696-L700 PolarHBondContact O-N 2.93Å; S697-L700 PolarHBondContact O-N 2.87Å; L700-K704 VanDerWaalsContact O-CB 3.29Å; L700-K704 WeakPolarHBondContact O-CB 3.34Å; L700-K704 PolarHBondContact O-N 2.89Å
701I80.5Confident75.3Confident110 Ų110103.7 Ų103.756%0.56454%0.536SS*.Hα-helixtrans-62.2-48.8174.1-68.6163.8000109.8S697 T698 K704 T705S697-I701 VanDerWaalsContact O-CG1 3.31Å; S697-I701 WeakPolarHBondContact O-CG1 3.47Å; S697-I701 PolarHBondContact O-N 3.33Å; T698-I701 PolarHBondContact O-N 3.32Å; I701-K704 PolarHBondContact O-N 2.84Å; I701-T705 PolarHBondContact O-N 2.89Å; I701-T705 PolarHBondContact O-OG1 3.15Å; I701-T705 VanDerWaalsContact O-OG1 3.08Å
702L82.6Confident76.9Confident102 Ų102100.9 Ų100.953%0.53453%0.526SS..Hα-helixtrans-67.6-39-176.9-166.3148.6000112.4T698 L699 K704 T705 I706T698-L702 WeakPolarHBondContact O-CB 3.41Å; T698-L702 PolarHBondContact O-N 3.07Å; L699-L702 PolarHBondContact O-N 2.9Å; L702-K704 VanDerWaalsContact C-N 3.35Å; L702-T705 PolarHBondContact O-N 2.84Å; L702-I706 HydrophobicContact CD2-CD1 3.64Å; L702-I706 HydrophobicContact CD2-CG1 4.35Å; L702-I706 WeakPolarHBondContact O-CG1 3.47Å; L702-I706 PolarHBondContact O-N 2.95Å
703M82.8Confident78.5Confident117 Ų11799.3 Ų99.358%0.57652%0.521SS*.Hα-helixtrans-59.9-44.2170.6-74.8-178.471.300111.5L699 T705 I706 E707L699-M703 HydrophobicContact CG-SD 4.31Å; L699-M703 WeakPolarHBondContact O-CB 3.2Å; L699-M703 VanDerWaalsContact O-CG 3.32Å; L699-M703 WeakPolarHBondContact O-CG 3.36Å; L699-M703 PolarHBondContact O-N 2.85Å; M703-T705 VanDerWaalsContact C-N 3.34Å; M703-T705 PolarHBondContact O-N 2.87Å; M703-I706 PolarHBondContact O-N 2.92Å; M703-E707 WeakPolarHBondContact O-CB 3.33Å; M703-E707 PolarHBondContact O-N 2.96Å
704K84.2Confident80Confident140 Ų140100.3 Ų100.361%0.60952%0.517SS*.Hα-helixtrans-67.4-33.1178.3-166.8168.5-173.1171.50112.7L700 I701 L702 E707 T708L700-K704 VanDerWaalsContact O-CB 3.29Å; L700-K704 WeakPolarHBondContact O-CB 3.34Å; L700-K704 PolarHBondContact O-N 2.89Å; I701-K704 PolarHBondContact O-N 2.84Å; L702-K704 VanDerWaalsContact C-N 3.35Å; K704-E707 PolarHBondContact O-N 2.86Å; K704-T708 PolarHBondContact O-N 3.23Å; K704-T708 PolarHBondContact O-OG1 2.86Å
705T84.2Confident81.3Confident73 Ų7397.3 Ų97.345%0.44851%0.51SS..Hα-helixtrans-65-45.7170.6-56.70000111.4I701 L702 M703 E707 T708 E709I701-T705 PolarHBondContact O-N 2.89Å; I701-T705 PolarHBondContact O-OG1 3.15Å; I701-T705 VanDerWaalsContact O-OG1 3.08Å; L702-T705 PolarHBondContact O-N 2.84Å; M703-T705 VanDerWaalsContact C-N 3.34Å; M703-T705 PolarHBondContact O-N 2.87Å; T705-E707 VanDerWaalsContact C-N 3.32Å; T705-E707 PolarHBondContact O-N 3.1Å; T705-T708 WeakPolarHBondContact CA-OG1 3.34Å; T705-T708 PolarHBondContact O-N 2.93Å; T705-T708 PolarHBondContact O-OG1 3.33Å; T705-E709 PolarHBondContact O-N 2.82Å
706I87Confident82.8Confident97 Ų9796.7 Ų96.750%0.49751%0.508SS..Hα-helixtrans-60.6-42.4175.1-70.1172.2000110.9L702 M703 T708 E709 V710L702-I706 HydrophobicContact CD2-CD1 3.64Å; L702-I706 HydrophobicContact CD2-CG1 4.35Å; L702-I706 WeakPolarHBondContact O-CG1 3.47Å; L702-I706 PolarHBondContact O-N 2.95Å; M703-I706 PolarHBondContact O-N 2.92Å; I706-T708 PolarHBondContact O-N 2.95Å; I706-E709 PolarHBondContact O-N 3.33Å; I706-V710 HydrophobicContact CG2-CG2 4.22Å; I706-V710 WeakPolarHBondContact O-CB 3.49Å; I706-V710 VanDerWaalsContact O-CG2 3.3Å; I706-V710 WeakPolarHBondContact O-CG2 3.12Å; I706-V710 PolarHBondContact O-N 3.21Å
707E86.5Confident84.1Confident127 Ų12797.9 Ų97.959%0.59351%0.511SS*.Hα-helixtrans-58.3-45.9176.3-170.2171.7-142.600111.5M703 K704 T705 V710 D711M703-E707 WeakPolarHBondContact O-CB 3.33Å; M703-E707 PolarHBondContact O-N 2.96Å; K704-E707 PolarHBondContact O-N 2.86Å; T705-E707 VanDerWaalsContact C-N 3.32Å; T705-E707 PolarHBondContact O-N 3.1Å; E707-V710 PolarHBondContact O-N 2.6Å; E707-D711 PolarHBondContact O-N 2.87Å
708T85.5Confident85.2Confident76 Ų76100.8 Ų100.847%0.46652%0.517SS..Hα-helixtrans-65.6-36.8175.249.10000114K704 T705 I706 N712K704-T708 PolarHBondContact O-N 3.23Å; K704-T708 PolarHBondContact O-OG1 2.86Å; T705-T708 WeakPolarHBondContact CA-OG1 3.34Å; T705-T708 PolarHBondContact O-N 2.93Å; T705-T708 PolarHBondContact O-OG1 3.33Å; I706-T708 PolarHBondContact O-N 2.95Å; T708-N712 WeakPolarHBondContact O-CB 3.26Å; T708-N712 PolarHBondContact O-N 3.36Å; T708-N712 PolarHBondContact O-ND2 3.46Å
709E87.1Confident85.9Confident103 Ų103101.8 Ų101.848%0.48152%0.518SS..Hα-helixtrans-69.1-39.4175.5-73.2-59.2155.400112.1T705 I706 N712 I713T705-E709 PolarHBondContact O-N 2.82Å; I706-E709 PolarHBondContact O-N 3.33Å; E709-N712 WeakPolarHBondContact O-CB 3.25Å; E709-N712 PolarHBondContact O-N 2.81Å; E709-I713 WeakPolarHBondContact O-CG1 3.29Å; E709-I713 PolarHBondContact O-N 3.28Å
710V89.4Confident86.6Confident84 Ų84103 Ų10351%0.50952%0.519SS..Hα-helixtrans-63.7-43.1175.7168.90000111.1I706 E707 I713 R714I706-V710 HydrophobicContact CG2-CG2 4.22Å; I706-V710 WeakPolarHBondContact O-CB 3.49Å; I706-V710 VanDerWaalsContact O-CG2 3.3Å; I706-V710 WeakPolarHBondContact O-CG2 3.12Å; I706-V710 PolarHBondContact O-N 3.21Å; E707-V710 PolarHBondContact O-N 2.6Å; V710-I713 PolarHBondContact O-N 3.02Å; V710-R714 VanDerWaalsContact O-CB 3.25Å; V710-R714 WeakPolarHBondContact O-CB 3.42Å; V710-R714 PolarHBondContact O-N 3.45Å
711D87.3Confident87.3Confident82 Ų82102 Ų10244%0.43951%0.514SS..Hα-helixtrans-71.4-31.4176.1-96.5-22.7000113E707 R714 S715E707-D711 PolarHBondContact O-N 2.87Å; D711-R714 PolarHBondContact O-N 2.97Å; D711-R714 WeakPolarHBondContact OD1-CD 3.44Å; D711-R714 IonicContact OD1-NH1 3.28Å; D711-R714 PolarHBondContact OD1-NH1 2.96Å; D711-S715 WeakPolarHBondContact O-CB 3.27Å; D711-S715 PolarHBondContact O-N 3.05Å
712N87.2Confident87.6Confident87 Ų87102.2 Ų102.247%0.46552%0.516SS..Hα-helixtrans-60.3-51.2169-78.4-23.5000111.4T708 E709 R714 S715 I716T708-N712 WeakPolarHBondContact O-CB 3.26Å; T708-N712 PolarHBondContact O-N 3.36Å; T708-N712 PolarHBondContact O-ND2 3.46Å; E709-N712 WeakPolarHBondContact O-CB 3.25Å; E709-N712 PolarHBondContact O-N 2.81Å; N712-R714 VanDerWaalsContact C-N 3.31Å; N712-R714 PolarHBondContact O-N 3.45Å; N712-S715 WeakPolarHBondContact O-CB 3.41Å; N712-S715 PolarHBondContact O-N 2.97Å; N712-S715 VanDerWaalsContact O-N 3.12Å; N712-I716 WeakPolarHBondContact O-CG1 3.39Å; N712-I716 PolarHBondContact O-N 2.81Å
713I89.6Confident87.9Confident93 Ų93106.2 Ų106.248%0.47752%0.524SS..Hα-helixtrans-58.8-43.6176.1-71160.5000110.6E709 V710 S715 I716 I717E709-I713 WeakPolarHBondContact O-CG1 3.29Å; E709-I713 PolarHBondContact O-N 3.28Å; V710-I713 PolarHBondContact O-N 3.02Å; I713-S715 VanDerWaalsContact C-N 3.3Å; I713-S715 PolarHBondContact O-N 3.11Å; I713-I716 PolarHBondContact O-N 3.21Å; I713-I717 HydrophobicContact CG2-CD1 3.79Å; I713-I717 HydrophobicContact CG2-CG1 4.46Å; I713-I717 WeakPolarHBondContact O-CG1 3.39Å; I713-I717 PolarHBondContact O-N 3.19Å
714R90.2Very high88.1Confident130 Ų130104 Ų10449%0.49151%0.514SS..Hα-helixtrans-62.6-34.9176.7-168-176.6-172.4-169.77.1112.5V710 D711 N712 K718V710-R714 VanDerWaalsContact O-CB 3.25Å; V710-R714 WeakPolarHBondContact O-CB 3.42Å; V710-R714 PolarHBondContact O-N 3.45Å; D711-R714 PolarHBondContact O-N 2.97Å; D711-R714 WeakPolarHBondContact OD1-CD 3.44Å; D711-R714 IonicContact OD1-NH1 3.28Å; D711-R714 PolarHBondContact OD1-NH1 2.96Å; N712-R714 VanDerWaalsContact C-N 3.31Å; N712-R714 PolarHBondContact O-N 3.45Å; R714-K718 VanDerWaalsContact O-CG 3.28Å; R714-K718 WeakPolarHBondContact O-CG 3.21Å; R714-K718 PolarHBondContact O-N 2.88Å
715S87.7Confident88.2Confident61 Ų61102 Ų10243%0.42751%0.509SS..Hα-helixtrans-66.9-46.5173.8-166.20000111.6D711 N712 I713 I717 K718 L719D711-S715 WeakPolarHBondContact O-CB 3.27Å; D711-S715 PolarHBondContact O-N 3.05Å; N712-S715 WeakPolarHBondContact O-CB 3.41Å; N712-S715 PolarHBondContact O-N 2.97Å; N712-S715 VanDerWaalsContact O-N 3.12Å; I713-S715 VanDerWaalsContact C-N 3.3Å; I713-S715 PolarHBondContact O-N 3.11Å; S715-I717 VanDerWaalsContact C-N 3.35Å; S715-I717 PolarHBondContact O-N 3.47Å; S715-K718 WeakPolarHBondContact O-CB 3.4Å; S715-K718 PolarHBondContact O-N 3.29Å; S715-L719 WeakPolarHBondContact O-CG 3.29Å; S715-L719 PolarHBondContact O-N 3.48Å
716I89Confident88.2Confident115 Ų115104.1 Ų104.159%0.5951%0.513SS*.Hα-helixtrans-60.5-43.6176.1-65.4166.1000111N712 I713 L719 F720N712-I716 WeakPolarHBondContact O-CG1 3.39Å; N712-I716 PolarHBondContact O-N 2.81Å; I713-I716 PolarHBondContact O-N 3.21Å; I716-L719 PolarHBondContact O-N 3.44Å; I716-F720 WeakPolarHBondContact O-CB 3.42Å; I716-F720 PolarHBondContact O-N 2.93Å
717I91.1Very high88Confident92 Ų92106.1 Ų106.147%0.47252%0.518SS..Hα-helixtrans-63.1-43.1176.2-68.9168.8000111.1I713 S715 L719 F720 L721I713-I717 HydrophobicContact CG2-CD1 3.79Å; I713-I717 HydrophobicContact CG2-CG1 4.46Å; I713-I717 WeakPolarHBondContact O-CG1 3.39Å; I713-I717 PolarHBondContact O-N 3.19Å; S715-I717 VanDerWaalsContact C-N 3.35Å; S715-I717 PolarHBondContact O-N 3.47Å; I717-L719 PolarHBondContact O-N 2.92Å; I717-F720 PolarHBondContact O-N 2.61Å; I717-L721 HydrophobicContact CG2-CD1 3.89Å; I717-L721 HydrophobicContact CG2-CG 4.33Å; I717-L721 WeakPolarHBondContact O-CB 3.48Å; I717-L721 WeakPolarHBondContact O-CG 3.41Å; I717-L721 PolarHBondContact O-N 3.16Å
718K90.4Very high88Confident115 Ų115103.7 Ų103.750%0.551%0.509SS..Hα-helixtrans-58.6-46.3173.7-76.3168178.71750111.7R714 S715 F720 L721 L722R714-K718 VanDerWaalsContact O-CG 3.28Å; R714-K718 WeakPolarHBondContact O-CG 3.21Å; R714-K718 PolarHBondContact O-N 2.88Å; S715-K718 WeakPolarHBondContact O-CB 3.4Å; S715-K718 PolarHBondContact O-N 3.29Å; K718-F720 VanDerWaalsContact C-N 3.33Å; K718-F720 PolarHBondContact O-N 3.42Å; K718-L721 PolarHBondContact O-N 3.17Å; K718-L722 WeakPolarHBondContact O-CB 3.41Å; K718-L722 VanDerWaalsContact O-CG 3.27Å; K718-L722 WeakPolarHBondContact O-CG 3.46Å; K718-L722 PolarHBondContact O-N 3.21Å
719L88.7Confident87.7Confident107 Ų107104.3 Ų104.356%0.5651%0.506SS*.Hα-helixtrans-62.3-38.9177.6-71.4170000112.3S715 I716 I717 R723S715-L719 WeakPolarHBondContact O-CG 3.29Å; S715-L719 PolarHBondContact O-N 3.48Å; I716-L719 PolarHBondContact O-N 3.44Å; I717-L719 PolarHBondContact O-N 2.92Å; L719-R723 WeakPolarHBondContact O-CB 3.43Å; L719-R723 PolarHBondContact O-N 2.92Å
720F91.2Very high87.4Confident131 Ų131101.5 Ų101.558%0.57549%0.493SS*.Hα-helixtrans-68.1-43.6176.3-170.8-108.4000112.3I716 I717 K718 R723 I724I716-F720 WeakPolarHBondContact O-CB 3.42Å; I716-F720 PolarHBondContact O-N 2.93Å; I717-F720 PolarHBondContact O-N 2.61Å; K718-F720 VanDerWaalsContact C-N 3.33Å; K718-F720 PolarHBondContact O-N 3.42Å; F720-R723 PolarHBondContact O-N 3.18Å; F720-I724 HydrophobicContact CD1-CD1 3.83Å; F720-I724 HydrophobicContact CE1-CD1 3.44Å; F720-I724 VanDerWaalsContact CE1-CD1 3.44Å; F720-I724 HydrophobicContact CE1-CG1 4.37Å; F720-I724 HydrophobicContact CZ-CD1 3.97Å; F720-I724 PolarHBondContact O-N 2.89Å
721L90.4Very high87Confident101 Ų101100.6 Ų100.653%0.52949%0.485SS..Hα-helixtrans-63.5-41.1175.1-71.3172.1000112.1I717 K718 R723 I724 N725I717-L721 HydrophobicContact CG2-CD1 3.89Å; I717-L721 HydrophobicContact CG2-CG 4.33Å; I717-L721 WeakPolarHBondContact O-CB 3.48Å; I717-L721 WeakPolarHBondContact O-CG 3.41Å; I717-L721 PolarHBondContact O-N 3.16Å; K718-L721 PolarHBondContact O-N 3.17Å; L721-R723 VanDerWaalsContact C-N 3.33Å; L721-R723 PolarHBondContact O-N 3.03Å; L721-I724 PolarHBondContact O-N 2.73Å; L721-N725 WeakPolarHBondContact O-CB 3.27Å; L721-N725 PolarHBondContact O-N 3.49Å
722L87.3Confident86.7Confident114 Ų114100.9 Ų100.960%0.59749%0.486SS*.Hα-helixtrans-62.3-39.5173-72.9168.6000111.9K718 K726K718-L722 WeakPolarHBondContact O-CB 3.41Å; K718-L722 VanDerWaalsContact O-CG 3.27Å; K718-L722 WeakPolarHBondContact O-CG 3.46Å; K718-L722 PolarHBondContact O-N 3.21Å; L722-K726 WeakPolarHBondContact O-CB 3.45Å; L722-K726 PolarHBondContact O-N 2.71Å
723R89.1Confident86.4Confident186 Ų18697.7 Ų97.770%0.70247%0.469SS*.Hα-helixtrans-67.5-35.9176.4-170.4179.8-69-174.7-2.4112.4L719 F720 L721 K727L719-R723 WeakPolarHBondContact O-CB 3.43Å; L719-R723 PolarHBondContact O-N 2.92Å; F720-R723 PolarHBondContact O-N 3.18Å; L721-R723 VanDerWaalsContact C-N 3.33Å; L721-R723 PolarHBondContact O-N 3.03Å; R723-K727 WeakPolarHBondContact O-CB 3.5Å; R723-K727 PolarHBondContact O-N 2.92Å
724I87Confident86Confident70 Ų7095.1 Ų95.136%0.35946%0.455SS..Hα-helixtrans-67.2-54.4171.4-73174.4000110.3F720 L721 K726 K727 D728F720-I724 HydrophobicContact CD1-CD1 3.83Å; F720-I724 HydrophobicContact CE1-CD1 3.44Å; F720-I724 VanDerWaalsContact CE1-CD1 3.44Å; F720-I724 HydrophobicContact CE1-CG1 4.37Å; F720-I724 HydrophobicContact CZ-CD1 3.97Å; F720-I724 PolarHBondContact O-N 2.89Å; L721-I724 PolarHBondContact O-N 2.73Å; I724-K726 VanDerWaalsContact C-N 3.31Å; I724-K726 PolarHBondContact O-N 2.85Å; I724-K727 CarbonylContact O-C 3.59Å; I724-K727 WeakPolarHBondContact O-CA 3.25Å; I724-K727 WeakPolarHBondContact O-CB 3.16Å; I724-K727 PolarHBondContact O-N 2.91Å; I724-D728 WeakPolarHBondContact CG2-OD2 3.46Å; I724-D728 PolarHBondContact O-N 2.78Å
725N87.5Confident85.5Confident97 Ų9795.5 Ų95.552%0.51946%0.461SS..Hα-helixtrans-56.1-45.3-176.7-169.636.6000111.6L721 K727 D728 E729L721-N725 WeakPolarHBondContact O-CB 3.27Å; L721-N725 PolarHBondContact O-N 3.49Å; N725-K727 VanDerWaalsContact C-N 3.34Å; N725-K727 PolarHBondContact O-N 2.91Å; N725-D728 PolarHBondContact O-N 3.02Å; N725-D728 VanDerWaalsContact O-N 3.15Å; N725-E729 PolarHBondContact O-N 2.89Å
726K83.6Confident85.2Confident119 Ų11994.8 Ų94.852%0.51745%0.451SS..Hα-helixtrans-59.9-40.9174.2-179.6171.8-178.51720112.9L722 I724 D728 E729 E730L722-K726 WeakPolarHBondContact O-CB 3.45Å; L722-K726 PolarHBondContact O-N 2.71Å; I724-K726 VanDerWaalsContact C-N 3.31Å; I724-K726 PolarHBondContact O-N 2.85Å; K726-D728 VanDerWaalsContact C-N 3.3Å; K726-D728 PolarHBondContact O-N 3.14Å; K726-E729 PolarHBondContact O-N 3.29Å; K726-E730 WeakPolarHBondContact CE-OE1 3.38Å; K726-E730 WeakPolarHBondContact CG-OE1 3.43Å; K726-E730 VanDerWaalsContact O-CG 3.31Å; K726-E730 WeakPolarHBondContact O-CG 3.21Å; K726-E730 PolarHBondContact O-N 2.94Å
727K82.9Confident85Confident139 Ų13990 Ų9060%0.60443%0.425SS*.Hα-helixtrans-66.2-34.9176.8-170.2178.3-178.7-179.40111.5R723 I724 N725 N731R723-K727 WeakPolarHBondContact O-CB 3.5Å; R723-K727 PolarHBondContact O-N 2.92Å; I724-K727 CarbonylContact O-C 3.59Å; I724-K727 WeakPolarHBondContact O-CA 3.25Å; I724-K727 WeakPolarHBondContact O-CB 3.16Å; I724-K727 PolarHBondContact O-N 2.91Å; N725-K727 VanDerWaalsContact C-N 3.34Å; N725-K727 PolarHBondContact O-N 2.91Å; K727-N731 WeakPolarHBondContact O-CB 3.48Å; K727-N731 PolarHBondContact O-N 2.83Å; K727-N731 PolarHBondContact O-ND2 2.87Å; K727-N731 VanDerWaalsContact O-ND2 3.09Å
728D85.7Confident84.5Confident76 Ų7690.6 Ų90.641%0.40642%0.422SS..Hα-helixtrans-76.3-35.8177.7-70.6-31.2000112.5I724 N725 K726 N731 I732I724-D728 WeakPolarHBondContact CG2-OD2 3.46Å; I724-D728 PolarHBondContact O-N 2.78Å; N725-D728 PolarHBondContact O-N 3.02Å; N725-D728 VanDerWaalsContact O-N 3.15Å; K726-D728 VanDerWaalsContact C-N 3.3Å; K726-D728 PolarHBondContact O-N 3.14Å; D728-N731 WeakPolarHBondContact O-CB 3.35Å; D728-N731 PolarHBondContact O-N 3.03Å; D728-N731 PolarHBondContact OD1-ND2 2.82Å; D728-I732 WeakPolarHBondContact O-CB 3.46Å; D728-I732 WeakPolarHBondContact O-CD1 3.41Å; D728-I732 WeakPolarHBondContact O-CG1 3.43Å; D728-I732 PolarHBondContact O-N 3.28Å
729E80.6Confident84.1Confident88 Ų8890 Ų9041%0.41142%0.422SS..Hα-helixtrans-57.9-46.7166.2-72.8-165.8120.500111.9R352 N725 K726 I732 I733R352-E729 IonicContact NH2-OE1 3.52Å; N725-E729 PolarHBondContact O-N 2.89Å; K726-E729 PolarHBondContact O-N 3.29Å; E729-I732 PolarHBondContact O-N 3.36Å; E729-I733 WeakPolarHBondContact O-CG1 3.38Å; E729-I733 PolarHBondContact O-N 3.18Å
730E79.6Confident83.8Confident45 Ų4585.4 Ų85.421%0.2140%0.398CS..Hα-helixtrans-62.6-41.9176.6-70.8178.8-151.200111.5R350 K726 I732 I733 I734R350-E730 HydrophobicContact CG-CG 4.45Å; R350-E730 IonicContact CZ-OE1 3.99Å; R350-E730 IonicContact CZ-OE2 2.65Å; R350-E730 IonicContact NE-OE1 2.77Å; R350-E730 PolarHBondContact NE-OE1 3.16Å; R350-E730 IonicContact NE-OE2 3.73Å; R350-E730 PolarHBondContact NE-OE2 3.37Å; R350-E730 VanDerWaalsContact NH2-CD 3.27Å; R350-E730 IonicContact NH2-OE1 2.71Å; R350-E730 PolarHBondContact NH2-OE1 3.48Å; R350-E730 VanDerWaalsContact NH2-OE1 3.08Å; R350-E730 IonicContact NH2-OE2 3.63Å; R350-E730 PolarHBondContact NH2-OE2 2.86Å; K726-E730 WeakPolarHBondContact CE-OE1 3.38Å; K726-E730 WeakPolarHBondContact CG-OE1 3.43Å; K726-E730 VanDerWaalsContact O-CG 3.31Å; K726-E730 WeakPolarHBondContact O-CG 3.21Å; K726-E730 PolarHBondContact O-N 2.94Å; E730-I732 PolarHBondContact O-N 2.84Å; E730-I733 PolarHBondContact O-N 3.35Å; E730-I734 WeakPolarHBondContact O-CG1 3.28Å; E730-I734 PolarHBondContact O-N 3.3Å; E730-I734 VanDerWaalsContact O-N 3.1Å
731N81.7Confident83.4Confident64 Ų6479.2 Ų79.234%0.34237%0.37SS..Hα-helixtrans-61.5-38.3172.9-74.1-36.3000112.9K727 D728 K735K727-N731 WeakPolarHBondContact O-CB 3.48Å; K727-N731 PolarHBondContact O-N 2.83Å; K727-N731 PolarHBondContact O-ND2 2.87Å; K727-N731 VanDerWaalsContact O-ND2 3.09Å; D728-N731 WeakPolarHBondContact O-CB 3.35Å; D728-N731 PolarHBondContact O-N 3.03Å; D728-N731 PolarHBondContact OD1-ND2 2.82Å; N731-K735 VanDerWaalsContact O-CG 3.31Å; N731-K735 WeakPolarHBondContact O-CG 3.41Å; N731-K735 PolarHBondContact O-N 3.07Å
732I81.4Confident82.9Confident89 Ų8977.6 Ų77.646%0.45636%0.362SS..Hα-helixtrans-66.4-47.1178.6-72.5161.4000110.1D728 E729 E730 I734 K735 E736D728-I732 WeakPolarHBondContact O-CB 3.46Å; D728-I732 WeakPolarHBondContact O-CD1 3.41Å; D728-I732 WeakPolarHBondContact O-CG1 3.43Å; D728-I732 PolarHBondContact O-N 3.28Å; E729-I732 PolarHBondContact O-N 3.36Å; E730-I732 PolarHBondContact O-N 2.84Å; I732-I734 VanDerWaalsContact C-N 3.31Å; I732-I734 PolarHBondContact O-N 3.25Å; I732-K735 WeakPolarHBondContact O-CB 3.46Å; I732-K735 PolarHBondContact O-N 3.27Å; I732-K735 VanDerWaalsContact O-N 3.12Å; I732-E736 PolarHBondContact O-N 3Å
733I80.2Confident82.7Confident19 Ų1973.1 Ų73.110%0.09734%0.339CS..Hα-helixtrans-59-44177.8-67.5168.3000110.7N351 R352 E729 E730 K735 E736 W737N351-I733 WeakPolarHBondContact O-CG2 3.36Å; R352-I733 HydrophobicContact CG-CD1 3.92Å; R352-I733 HydrophobicContact CG-CG1 4.16Å; E729-I733 WeakPolarHBondContact O-CG1 3.38Å; E729-I733 PolarHBondContact O-N 3.18Å; E730-I733 PolarHBondContact O-N 3.35Å; I733-K735 PolarHBondContact O-N 2.9Å; I733-E736 PolarHBondContact O-N 2.75Å; I733-W737 VanDerWaalsContact O-CD1 3.29Å; I733-W737 PolarHBondContact O-N 2.91Å
734I80Confident82.4Confident39 Ų3965.8 Ų65.820%0.231%0.313CS..Hα-helixtrans-61.1-43.8176-68.4165.2000111.1E730 I732 E736 W737 R738E730-I734 WeakPolarHBondContact O-CG1 3.28Å; E730-I734 PolarHBondContact O-N 3.3Å; E730-I734 VanDerWaalsContact O-N 3.1Å; I732-I734 VanDerWaalsContact C-N 3.31Å; I732-I734 PolarHBondContact O-N 3.25Å; I734-E736 PolarHBondContact O-N 3.47Å; I734-W737 PolarHBondContact O-N 2.83Å; I734-R738 WeakPolarHBondContact O-CG 3.37Å; I734-R738 PolarHBondContact O-N 2.9Å; I734-R738 VanDerWaalsContact O-N 3.13Å
735K81.5Confident82.2Confident138 Ų13862.8 Ų62.860%0.630%0.298SS*.Hα-helixtrans-61-42.8177-75.5170.5-179.1179.40112.4N731 I732 I733 R738 M739N731-K735 VanDerWaalsContact O-CG 3.31Å; N731-K735 WeakPolarHBondContact O-CG 3.41Å; N731-K735 PolarHBondContact O-N 3.07Å; I732-K735 WeakPolarHBondContact O-CB 3.46Å; I732-K735 PolarHBondContact O-N 3.27Å; I732-K735 VanDerWaalsContact O-N 3.12Å; I733-K735 PolarHBondContact O-N 2.9Å; K735-R738 PolarHBondContact O-N 3.38Å; K735-M739 WeakPolarHBondContact O-CG 3.45Å; K735-M739 PolarHBondContact O-N 3.33Å
736E81.6Confident82Confident46 Ų4663.6 Ų63.622%0.21529%0.294CS..Hα-helixtrans-60.1-47.1178.4-70.9-176.4-159.900112.4V353 R358 I732 I733 I734 R738 M739 I740V353-E736 HydrophobicContact CG2-CB 3.79Å; R358-E736 IonicContact CZ-OE1 2.71Å; R358-E736 IonicContact CZ-OE2 3.24Å; R358-E736 IonicContact NE-OE2 3.6Å; R358-E736 PolarHBondContact NE-OE2 2.91Å; R358-E736 IonicContact NH2-OE1 2.6Å; R358-E736 PolarHBondContact NH2-OE1 3.16Å; R358-E736 IonicContact NH2-OE2 3.91Å; R358-E736 PolarHBondContact NH2-OE2 3.3Å; I732-E736 PolarHBondContact O-N 3Å; I733-E736 PolarHBondContact O-N 2.75Å; I734-E736 PolarHBondContact O-N 3.47Å; E736-R738 VanDerWaalsContact C-N 3.34Å; E736-R738 PolarHBondContact O-N 3.47Å; E736-M739 PolarHBondContact O-N 3.08Å; E736-I740 WeakPolarHBondContact O-CG1 3.47Å; E736-I740 PolarHBondContact O-N 2.89Å
737W82.9Confident82Confident15 Ų1559.6 Ų59.66%0.05728%0.277CS..Hα-helixtrans-63.5-38.2177.8-79.1104.3000112.5L343 G347 N351 V353 L357 I733 I734 I740 A741L343-W737 HydrophobicContact CD2-CZ3 4.17Å; G347-W737 VanDerWaalsContact CA-CD1 3.45Å; N351-W737 PolarHBondContact O-NE1 3.39Å; V353-W737 HydrophobicContact CG2-CD2 3.99Å; V353-W737 HydrophobicContact CG2-CG 4.11Å; V353-W737 HydrophobicContact CG2-CZ2 4.31Å; L357-W737 HydrophobicContact CD1-CZ3 4.39Å; I733-W737 VanDerWaalsContact O-CD1 3.29Å; I733-W737 PolarHBondContact O-N 2.91Å; I734-W737 PolarHBondContact O-N 2.83Å; W737-I740 PolarHBondContact O-N 3.16Å; W737-A741 WeakPolarHBondContact O-CB 3.35Å; W737-A741 PolarHBondContact O-N 2.68Å
738R82.1Confident82.1Confident105 Ų10555 Ų5540%0.39626%0.258SS..Hα-helixtrans-65.2-44.4174.8-67.8-177.4-173.3-158.23.4112.4Y344 I734 K735 E736 I740 A741 I742Y344-R738 HydrophobicContact CD2-CB 4.28Å; Y344-R738 HydrophobicContact CD2-CG 3.87Å; Y344-R738 HydrophobicContact CE1-CG 4.31Å; Y344-R738 HydrophobicContact CE2-CB 4.01Å; Y344-R738 HydrophobicContact CE2-CG 3.52Å; Y344-R738 HydrophobicContact CG-CG 4.42Å; Y344-R738 WeakPolarHBondContact OH-CD 3.33Å; Y344-R738 PolarHBondContact OH-NE 2.77Å; Y344-R738 PolarHBondContact OH-NH1 3.48Å; I734-R738 WeakPolarHBondContact O-CG 3.37Å; I734-R738 PolarHBondContact O-N 2.9Å; I734-R738 VanDerWaalsContact O-N 3.13Å; K735-R738 PolarHBondContact O-N 3.38Å; E736-R738 VanDerWaalsContact C-N 3.34Å; E736-R738 PolarHBondContact O-N 3.47Å; R738-I740 VanDerWaalsContact C-N 3.31Å; R738-I740 PolarHBondContact O-N 3.02Å; R738-A741 PolarHBondContact O-N 3.1Å; R738-I742 WeakPolarHBondContact O-CG1 3.36Å; R738-I742 PolarHBondContact O-N 3.44Å
739M81.5Confident82Confident102 Ų10253.4 Ų53.450%0.50225%0.247SC..Hα-helixtrans-59.6-42.1175.8-72.9-60.2-64.200111.5K735 E736 I742 V743K735-M739 WeakPolarHBondContact O-CG 3.45Å; K735-M739 PolarHBondContact O-N 3.33Å; E736-M739 PolarHBondContact O-N 3.08Å; M739-I742 PolarHBondContact O-N 3.03Å; M739-V743 WeakPolarHBondContact O-CG2 3.49Å; M739-V743 PolarHBondContact O-N 3.05Å
740I82.5Confident82.1Confident11 Ų1153.9 Ų53.96%0.05625%0.252CS..Hα-helixtrans-68.3-37.9178-69.9164.1000111.8V353 L357 C361 E736 W737 R738 I742 V743 M744V353-I740 HydrophobicContact CB-CD1 4.18Å; V353-I740 HydrophobicContact CG1-CD1 3.33Å; V353-I740 HydrophobicContact CG2-CD1 3.79Å; L357-I740 HydrophobicContact CB-CD1 4.36Å; C361-I740 HydrophobicContact CB-CG1 4.42Å; E736-I740 WeakPolarHBondContact O-CG1 3.47Å; E736-I740 PolarHBondContact O-N 2.89Å; W737-I740 PolarHBondContact O-N 3.16Å; R738-I740 VanDerWaalsContact C-N 3.31Å; R738-I740 PolarHBondContact O-N 3.02Å; I740-I742 VanDerWaalsContact C-N 3.34Å; I740-I742 PolarHBondContact O-N 3.47Å; I740-V743 PolarHBondContact O-N 3.38Å; I740-M744 HydrophobicContact CG2-CG 4.37Å; I740-M744 WeakPolarHBondContact O-CB 3.31Å; I740-M744 VanDerWaalsContact O-CG 3.27Å; I740-M744 WeakPolarHBondContact O-CG 3.49Å; I740-M744 PolarHBondContact O-N 2.7Å
741A81.9Confident82.4Confident0 Ų057.9 Ų57.90%027%0.268CS..Hα-helixtrans-60.3-43.7173.200000111.6V340 Y344 W737 R738 D745V340-A741 HydrophobicContact CG1-CB 4.02Å; V340-A741 WeakPolarHBondContact CG1-O 3.28Å; Y344-A741 HydrophobicContact CD2-CB 4.28Å; W737-A741 WeakPolarHBondContact O-CB 3.35Å; W737-A741 PolarHBondContact O-N 2.68Å; R738-A741 PolarHBondContact O-N 3.1Å; A741-D745 PolarHBondContact O-N 3.01Å
742I80.7Confident82.6Confident67 Ų6755.3 Ų55.334%0.34425%0.254SS..Hα-helixtrans-66.9-43.2177.1-65.9163.2000111.6R738 M739 I740 D745 R746R738-I742 WeakPolarHBondContact O-CG1 3.36Å; R738-I742 PolarHBondContact O-N 3.44Å; M739-I742 PolarHBondContact O-N 3.03Å; I740-I742 VanDerWaalsContact C-N 3.34Å; I740-I742 PolarHBondContact O-N 3.47Å; I742-D745 PolarHBondContact O-N 3.37Å; I742-R746 WeakPolarHBondContact O-CG 3.49Å; I742-R746 PolarHBondContact O-N 2.7Å; I742-R746 VanDerWaalsContact O-N 3.1Å
743V82.9Confident82.8Confident21 Ų2153.7 Ų53.713%0.12725%0.246CC..Hα-helixtrans-63.7-43.3176.7169.20000110.9L364 M739 I740 D745 R746 I747L364-V743 HydrophobicContact CD1-CG1 4Å; M739-V743 WeakPolarHBondContact O-CG2 3.49Å; M739-V743 PolarHBondContact O-N 3.05Å; I740-V743 PolarHBondContact O-N 3.38Å; V743-D745 PolarHBondContact O-N 2.86Å; V743-R746 PolarHBondContact O-N 2.88Å; V743-I747 HydrophobicContact CG1-CD1 4.21Å; V743-I747 WeakPolarHBondContact O-CG1 3.45Å; V743-I747 PolarHBondContact O-N 2.84Å
744M82.6Confident83.1Confident32 Ų3257 Ų5716%0.15826%0.263CS..Hα-helixtrans-59.1-44.3174.5-76.3-71.6-173.800112.4V340 L357 I740 R746 I747 F748V340-M744 HydrophobicContact CG2-CB 4.29Å; L357-M744 HydrophobicContact CD2-CE 3.68Å; I740-M744 HydrophobicContact CG2-CG 4.37Å; I740-M744 WeakPolarHBondContact O-CB 3.31Å; I740-M744 VanDerWaalsContact O-CG 3.27Å; I740-M744 WeakPolarHBondContact O-CG 3.49Å; I740-M744 PolarHBondContact O-N 2.7Å; M744-R746 VanDerWaalsContact C-N 3.27Å; M744-R746 PolarHBondContact O-N 2.94Å; M744-I747 PolarHBondContact O-N 2.97Å; M744-I747 HydrophobicContact SD-CD1 4.08Å; M744-F748 HydrophobicContact CB-CE2 3.98Å; M744-F748 HydrophobicContact CB-CZ 4.37Å; M744-F748 WeakPolarHBondContact O-CD2 3.5Å; M744-F748 VanDerWaalsContact O-CG 3.24Å; M744-F748 WeakPolarHBondContact O-CG 3.4Å; M744-F748 PolarHBondContact O-N 3.37Å; M744-F748 HydrophobicContact SD-CZ 4.09Å
745D83.7Confident83.4Confident7 Ų758.8 Ų58.84%0.03727%0.272CS..Hα-helixtrans-59.8-37176.4-161.753.8000112.2K287 V340 A741 I742 V743 F749K287-D745 IonicContact NZ-OD1 3.22Å; K287-D745 PolarHBondContact NZ-OD1 3.34Å; K287-D745 IonicContact NZ-OD2 3.08Å; K287-D745 PolarHBondContact NZ-OD2 3.45Å; V340-D745 HydrophobicContact CG1-CB 4.32Å; A741-D745 PolarHBondContact O-N 3.01Å; I742-D745 PolarHBondContact O-N 3.37Å; V743-D745 PolarHBondContact O-N 2.86Å; D745-F749 WeakPolarHBondContact O-CB 3.4Å; D745-F749 PolarHBondContact O-N 3.19Å
746R83.4Confident83.5Confident113 Ų11353 Ų5343%0.42625%0.247SC..Hα-helixtrans-71.5-36.3174.5-67.3-71.6173.4-135.5-6.2113.3F278 I742 V743 M744 F749 I750F278-R746 PolarHBondContact O-NH1 3.21Å; I742-R746 WeakPolarHBondContact O-CG 3.49Å; I742-R746 PolarHBondContact O-N 2.7Å; I742-R746 VanDerWaalsContact O-N 3.1Å; V743-R746 PolarHBondContact O-N 2.88Å; M744-R746 VanDerWaalsContact C-N 3.27Å; M744-R746 PolarHBondContact O-N 2.94Å; R746-F749 PolarHBondContact O-N 2.74Å; R746-I750 WeakPolarHBondContact O-CG1 3.41Å; R746-I750 PolarHBondContact O-N 2.93Å; R746-I750 VanDerWaalsContact O-N 3.15Å
747I83Confident83.6Confident35 Ų3555.8 Ų55.818%0.17926%0.263CS..Hα-helixtrans-62.2-48.3171.7-62.4164000110.1L364 V743 M744 F749 I750 F751L364-I747 HydrophobicContact CD1-CD1 3.35Å; L364-I747 HydrophobicContact CD1-CG1 3.79Å; V743-I747 HydrophobicContact CG1-CD1 4.21Å; V743-I747 WeakPolarHBondContact O-CG1 3.45Å; V743-I747 PolarHBondContact O-N 2.84Å; M744-I747 PolarHBondContact O-N 2.97Å; M744-I747 HydrophobicContact SD-CD1 4.08Å; I747-F749 VanDerWaalsContact C-N 3.31Å; I747-F749 PolarHBondContact O-N 2.81Å; I747-I750 PolarHBondContact O-N 2.8Å; I747-I750 VanDerWaalsContact O-N 3.14Å; I747-F751 HydrophobicContact CG2-CD2 3.78Å; I747-F751 HydrophobicContact CG2-CE2 3.56Å; I747-F751 WeakPolarHBondContact O-CD2 3.25Å; I747-F751 PolarHBondContact O-N 3.4Å; I747-F751 VanDerWaalsContact O-N 3.14Å
748F84.2Confident83.7Confident44 Ų4458.6 Ų58.619%0.19328%0.284CS..Hα-helixtrans-64.8-34.6-179.4-58.5-36000112.2L336 V340 M744 Y752L336-F748 HydrophobicContact CB-CD2 3.89Å; L336-F748 HydrophobicContact CB-CE2 4.14Å; L336-F748 HydrophobicContact CB-CG 4.35Å; L336-F748 HydrophobicContact CD1-CB 4.22Å; L336-F748 HydrophobicContact CD1-CD1 3.94Å; L336-F748 HydrophobicContact CD1-CD2 4.26Å; L336-F748 HydrophobicContact CD1-CE1 4.38Å; L336-F748 HydrophobicContact CD1-CG 3.89Å; L336-F748 HydrophobicContact CD2-CD1 4.44Å; L336-F748 HydrophobicContact CD2-CD2 4.39Å; L336-F748 HydrophobicContact CD2-CE1 4.09Å; L336-F748 HydrophobicContact CD2-CE2 4.02Å; L336-F748 HydrophobicContact CD2-CZ 3.86Å; L336-F748 HydrophobicContact CG-CD2 4.41Å; L336-F748 HydrophobicContact CG-CE2 4.49Å; V340-F748 HydrophobicContact CG2-CD2 4.07Å; V340-F748 HydrophobicContact CG2-CE2 3.83Å; M744-F748 HydrophobicContact CB-CE2 3.98Å; M744-F748 HydrophobicContact CB-CZ 4.37Å; M744-F748 WeakPolarHBondContact O-CD2 3.5Å; M744-F748 VanDerWaalsContact O-CG 3.24Å; M744-F748 WeakPolarHBondContact O-CG 3.4Å; M744-F748 PolarHBondContact O-N 3.37Å; M744-F748 HydrophobicContact SD-CZ 4.09Å; F748-Y752 WeakPolarHBondContact O-CB 3.42Å; F748-Y752 PolarHBondContact O-N 3.08Å
749F83.2Confident83.8Confident42 Ų4254.1 Ų54.118%0.18427%0.269CS..Hα-helixtrans-59.1-46.5169.3168.9-119.9000112.8F278 D745 R746 I747 F751 Y752 L753F278-F749 HydrophobicContact CB-CB 4.01Å; F278-F749 HydrophobicContact CB-CD2 3.29Å; F278-F749 HydrophobicContact CB-CE2 3.92Å; F278-F749 HydrophobicContact CB-CG 3.8Å; F278-F749 HydrophobicContact CD1-CB 3.7Å; F278-F749 HydrophobicContact CD1-CD2 4Å; F278-F749 HydrophobicContact CD1-CG 4.3Å; F278-F749 AromaticContact CD2-CD2 3.77Å; F278-F749 HydrophobicContact CD2-CD2 3.77Å; F278-F749 HydrophobicContact CD2-CE2 4.36Å; F278-F749 HydrophobicContact CE1-CB 4.45Å; F278-F749 HydrophobicContact CG-CB 3.99Å; F278-F749 AromaticContact CG-CD2 3.41Å; F278-F749 HydrophobicContact CG-CD2 3.41Å; F278-F749 VanDerWaalsContact CG-CD2 3.41Å; F278-F749 HydrophobicContact CG-CE2 4.28Å; F278-F749 HydrophobicContact CG-CG 4.07Å; D745-F749 WeakPolarHBondContact O-CB 3.4Å; D745-F749 PolarHBondContact O-N 3.19Å; R746-F749 PolarHBondContact O-N 2.74Å; I747-F749 VanDerWaalsContact C-N 3.31Å; I747-F749 PolarHBondContact O-N 2.81Å; F749-F751 PolarHBondContact O-N 3.18Å; F749-Y752 PolarHBondContact O-N 2.85Å; F749-L753 HydrophobicContact CE1-CD1 4.28Å; F749-L753 HydrophobicContact CE2-CB 4.21Å; F749-L753 HydrophobicContact CE2-CD1 3.78Å; F749-L753 HydrophobicContact CZ-CD1 3.49Å; F749-L753 VanDerWaalsContact CZ-CD1 3.49Å; F749-L753 VanDerWaalsContact O-CB 3.29Å; F749-L753 WeakPolarHBondContact O-CB 3.37Å; F749-L753 PolarHBondContact O-N 2.87Å
750I83.3Confident83.7Confident98 Ų9850.4 Ų50.450%0.50326%0.255SS..Hα-helixtrans-61.7-46.2-179.9-68164.8000110.6R746 I747 L753 I754R746-I750 WeakPolarHBondContact O-CG1 3.41Å; R746-I750 PolarHBondContact O-N 2.93Å; R746-I750 VanDerWaalsContact O-N 3.15Å; I747-I750 PolarHBondContact O-N 2.8Å; I747-I750 VanDerWaalsContact O-N 3.14Å; I750-L753 PolarHBondContact O-N 2.63Å; I750-I754 HydrophobicContact CG2-CD1 3.8Å; I750-I754 VanDerWaalsContact O-CG1 3.29Å; I750-I754 WeakPolarHBondContact O-CG1 3.2Å; I750-I754 PolarHBondContact O-N 2.68Å
751F85.9Confident83.5Confident128 Ų12856.6 Ų56.656%0.56128%0.282SS*.Hα-helixtrans-62-43.9175.3-76.5-65.2000112.5I747 F749 I754 I755I747-F751 HydrophobicContact CG2-CD2 3.78Å; I747-F751 HydrophobicContact CG2-CE2 3.56Å; I747-F751 WeakPolarHBondContact O-CD2 3.25Å; I747-F751 PolarHBondContact O-N 3.4Å; I747-F751 VanDerWaalsContact O-N 3.14Å; F749-F751 PolarHBondContact O-N 3.18Å; F751-I754 PolarHBondContact O-N 2.86Å; F751-I755 WeakPolarHBondContact O-CD1 3.39Å; F751-I755 VanDerWaalsContact O-CG1 3.27Å; F751-I755 WeakPolarHBondContact O-CG1 3.46Å; F751-I755 PolarHBondContact O-N 3.19Å; F751-I755 VanDerWaalsContact O-N 3.09Å
752Y86.9Confident83.1Confident11 Ų1160.8 Ų60.84%0.04331%0.311CS..Hα-helixtrans-59.7-48.1176.6-174.9-77.5000111.4T274 F278 L329 F748 F749 I754 I755 H756T274-Y752 WeakPolarHBondContact CB-OH 3.49Å; T274-Y752 WeakPolarHBondContact CG2-OH 3.43Å; T274-Y752 PolarHBondContact OG1-OH 3.43Å; F278-Y752 HydrophobicContact CD2-CD1 4.4Å; F278-Y752 HydrophobicContact CE1-CG 4.4Å; F278-Y752 AromaticContact CE2-CD1 3.48Å; F278-Y752 HydrophobicContact CE2-CD1 3.48Å; F278-Y752 VanDerWaalsContact CE2-CD1 3.48Å; F278-Y752 AromaticContact CE2-CD2 3.88Å; F278-Y752 HydrophobicContact CE2-CD2 3.88Å; F278-Y752 AromaticContact CE2-CE1 3.74Å; F278-Y752 HydrophobicContact CE2-CE1 3.74Å; F278-Y752 HydrophobicContact CE2-CE2 4.05Å; F278-Y752 AromaticContact CE2-CG 3.59Å; F278-Y752 HydrophobicContact CE2-CG 3.59Å; F278-Y752 AromaticContact CZ-CD1 3.85Å; F278-Y752 HydrophobicContact CZ-CD1 3.85Å; F278-Y752 AromaticContact CZ-CD2 3.45Å; F278-Y752 HydrophobicContact CZ-CD2 3.45Å; F278-Y752 VanDerWaalsContact CZ-CD2 3.45Å; F278-Y752 HydrophobicContact CZ-CE1 4.33Å; F278-Y752 AromaticContact CZ-CE2 3.92Å; F278-Y752 HydrophobicContact CZ-CE2 3.92Å; F278-Y752 AromaticContact CZ-CG 3.4Å; F278-Y752 HydrophobicContact CZ-CG 3.4Å; F278-Y752 VanDerWaalsContact CZ-CG 3.4Å; L329-Y752 HydrophobicContact CB-CD2 4.2Å; L329-Y752 HydrophobicContact CB-CE2 3.63Å; L329-Y752 HydrophobicContact CD1-CE2 4.34Å; L329-Y752 HydrophobicContact CD2-CD2 4.4Å; L329-Y752 HydrophobicContact CG-CE2 4.44Å; F748-Y752 WeakPolarHBondContact O-CB 3.42Å; F748-Y752 PolarHBondContact O-N 3.08Å; F749-Y752 PolarHBondContact O-N 2.85Å; Y752-I754 PolarHBondContact O-N 2.81Å; Y752-I755 PolarHBondContact O-N 2.73Å; Y752-H756 HydrophobicContact CD1-CB 4.28Å; Y752-H756 HydrophobicContact CE1-CB 4.13Å; Y752-H756 VanDerWaalsContact O-CB 3.23Å; Y752-H756 WeakPolarHBondContact O-CB 3.47Å; Y752-H756 PolarHBondContact O-N 2.8Å
753L85.3Confident82.7Confident54 Ų5460.9 Ų60.928%0.28331%0.312SS..Hα-helixtrans-63.5-41.6-178.3-179.9147.5000111.7F749 I750 H756 L757F749-L753 HydrophobicContact CE1-CD1 4.28Å; F749-L753 HydrophobicContact CE2-CB 4.21Å; F749-L753 HydrophobicContact CE2-CD1 3.78Å; F749-L753 HydrophobicContact CZ-CD1 3.49Å; F749-L753 VanDerWaalsContact CZ-CD1 3.49Å; F749-L753 VanDerWaalsContact O-CB 3.29Å; F749-L753 WeakPolarHBondContact O-CB 3.37Å; F749-L753 PolarHBondContact O-N 2.87Å; I750-L753 PolarHBondContact O-N 2.63Å; L753-H756 PolarHBondContact O-N 3.21Å; L753-L757 HydrophobicContact CD2-CD1 3.6Å; L753-L757 HydrophobicContact CD2-CG 4.29Å; L753-L757 HydrophobicContact CG-CD1 4.27Å; L753-L757 WeakPolarHBondContact O-CB 3.34Å; L753-L757 WeakPolarHBondContact O-CG 3.31Å; L753-L757 PolarHBondContact O-N 3.49Å
754I86.1Confident81.8Confident89 Ų8966.4 Ų66.446%0.45634%0.34SS..Hα-helixtrans-60.8-50.6174.9-69.7166.2000110.5I750 F751 Y752 H756 L757 C758I750-I754 HydrophobicContact CG2-CD1 3.8Å; I750-I754 VanDerWaalsContact O-CG1 3.29Å; I750-I754 WeakPolarHBondContact O-CG1 3.2Å; I750-I754 PolarHBondContact O-N 2.68Å; F751-I754 PolarHBondContact O-N 2.86Å; Y752-I754 PolarHBondContact O-N 2.81Å; I754-H756 VanDerWaalsContact C-N 3.32Å; I754-H756 PolarHBondContact O-N 2.82Å; I754-L757 PolarHBondContact O-N 2.92Å; I754-C758 WeakPolarHBondContact O-CB 3.48Å; I754-C758 PolarHBondContact O-N 2.91Å; I754-C758 PolarHBondContact O-SG 3.08Å
755I86.2Confident80.9Confident77 Ų7769.3 Ų69.340%0.39536%0.355SS..Hα-helixtrans-64.3-39.6-179.3-59161.5000110.8L329 F751 Y752 C758 A759L329-I755 HydrophobicContact CD1-CG2 4.12Å; L329-I755 HydrophobicContact CD2-CB 4.3Å; L329-I755 HydrophobicContact CD2-CD1 4.2Å; L329-I755 HydrophobicContact CD2-CG2 3.99Å; L329-I755 HydrophobicContact CG-CG2 4.49Å; F751-I755 WeakPolarHBondContact O-CD1 3.39Å; F751-I755 VanDerWaalsContact O-CG1 3.27Å; F751-I755 WeakPolarHBondContact O-CG1 3.46Å; F751-I755 PolarHBondContact O-N 3.19Å; F751-I755 VanDerWaalsContact O-N 3.09Å; Y752-I755 PolarHBondContact O-N 2.73Å; I755-C758 PolarHBondContact O-N 3.29Å; I755-A759 VanDerWaalsContact O-CB 3.32Å; I755-A759 WeakPolarHBondContact O-CB 3.37Å; I755-A759 PolarHBondContact O-N 3.33Å
756H84.4Confident79.5Confident15 Ų1574.5 Ų74.57%0.06939%0.389CS..Hα-helixtrans-67.7-41.4179.6-169.687.1000112.4Y322 N326 Y752 L753 I754 A759 A760Y322-H756 PolarHBondContact OH-CE1 2.76Å; N326-H756 PolarHBondContact OD1-CE1 2.91Å; N326-H756 VanDerWaalsContact OD1-CE1 3.3Å; N326-H756 PolarHBondContact OD1-ND1 3.48Å; Y752-H756 HydrophobicContact CD1-CB 4.28Å; Y752-H756 HydrophobicContact CE1-CB 4.13Å; Y752-H756 VanDerWaalsContact O-CB 3.23Å; Y752-H756 WeakPolarHBondContact O-CB 3.47Å; Y752-H756 PolarHBondContact O-N 2.8Å; L753-H756 PolarHBondContact O-N 3.21Å; I754-H756 VanDerWaalsContact C-N 3.32Å; I754-H756 PolarHBondContact O-N 2.82Å; H756-A759 PolarHBondContact O-N 3.2Å; H756-A760 WeakPolarHBondContact O-CB 3.17Å; H756-A760 PolarHBondContact O-N 3.36Å
757L83.8Confident78.1Confident105 Ų10578 Ų7855%0.5540%0.403SS..Hα-helixtrans-65.5-43.3173.3-73.1179.7000111.8L753 I754 A759 A760 F761L753-L757 HydrophobicContact CD2-CD1 3.6Å; L753-L757 HydrophobicContact CD2-CG 4.29Å; L753-L757 HydrophobicContact CG-CD1 4.27Å; L753-L757 WeakPolarHBondContact O-CB 3.34Å; L753-L757 WeakPolarHBondContact O-CG 3.31Å; L753-L757 PolarHBondContact O-N 3.49Å; I754-L757 PolarHBondContact O-N 2.92Å; L757-A759 VanDerWaalsContact C-N 3.32Å; L757-A759 PolarHBondContact O-N 3.01Å; L757-A760 PolarHBondContact O-N 3.4Å; L757-F761 WeakPolarHBondContact O-CB 3.32Å; L757-F761 PolarHBondContact O-N 3.28Å
758C85.2Confident76.4Confident75 Ų7579.7 Ų79.751%0.50742%0.418SS..Hα-helixtrans-60-41.9174-70.30000111.7I754 I755 S762I754-C758 WeakPolarHBondContact O-CB 3.48Å; I754-C758 PolarHBondContact O-N 2.91Å; I754-C758 PolarHBondContact O-SG 3.08Å; I755-C758 PolarHBondContact O-N 3.29Å; C758-S762 WeakPolarHBondContact O-CB 3.43Å; C758-S762 PolarHBondContact O-N 2.98Å; C758-S762 PolarHBondContact O-OG 3.02Å
759A82.4Confident74.8Confident10 Ų1079.2 Ų79.28%0.08342%0.419CS..Hα-helixtrans-67.9-40.2177.400000112.7Y322 L325 I755 H756 L757 S762 L763Y322-A759 HydrophobicContact CD2-CB 4.13Å; Y322-A759 HydrophobicContact CE2-CB 3.92Å; L325-A759 HydrophobicContact CD1-CB 3.94Å; L325-A759 HydrophobicContact CD2-CB 3.71Å; I755-A759 VanDerWaalsContact O-CB 3.32Å; I755-A759 WeakPolarHBondContact O-CB 3.37Å; I755-A759 PolarHBondContact O-N 3.33Å; H756-A759 PolarHBondContact O-N 3.2Å; L757-A759 VanDerWaalsContact C-N 3.32Å; L757-A759 PolarHBondContact O-N 3.01Å; A759-S762 PolarHBondContact O-N 3.38Å; A759-L763 PolarHBondContact O-N 2.97Å
760A79.4Confident73.3Confident24 Ų2480 Ų8020%0.19842%0.424CS..Hα-helixtrans-66.6-45.5176.100000111.7H756 L757 S762 L763 L764H756-A760 WeakPolarHBondContact O-CB 3.17Å; H756-A760 PolarHBondContact O-N 3.36Å; L757-A760 PolarHBondContact O-N 3.4Å; A760-S762 VanDerWaalsContact C-N 3.29Å; A760-S762 PolarHBondContact O-N 3.23Å; A760-L763 PolarHBondContact O-N 3.07Å; A760-L763 VanDerWaalsContact O-N 3.1Å; A760-L764 WeakPolarHBondContact O-CG 3.34Å; A760-L764 PolarHBondContact O-N 3.45Å
761F78.9Confident71.8Confident141 Ų14184 Ų8462%0.61843%0.434SS*.Hα-helixtrans-60.9-38.4174.4-167.4-109.5000111.8L757 L763 L764 I765L757-F761 WeakPolarHBondContact O-CB 3.32Å; L757-F761 PolarHBondContact O-N 3.28Å; F761-L763 PolarHBondContact O-N 3.48Å; F761-L764 PolarHBondContact O-N 3.31Å; F761-L764 VanDerWaalsContact O-N 3.11Å; F761-I765 HydrophobicContact CD1-CD1 3.95Å; F761-I765 HydrophobicContact CD1-CG1 4.42Å; F761-I765 HydrophobicContact CE1-CD1 3.74Å; F761-I765 HydrophobicContact CE1-CG1 4.17Å; F761-I765 HydrophobicContact CZ-CD1 4.39Å; F761-I765 HydrophobicContact CZ-CG1 4.37Å; F761-I765 WeakPolarHBondContact O-CG1 3.21Å; F761-I765 PolarHBondContact O-N 3.38Å
762S73.8Confident70.6Confident88 Ų8882.8 Ų82.862%0.61543%0.433SS*.Hα-helixtrans-65-20.8175.3-57.10000114.4C758 A759 A760C758-S762 WeakPolarHBondContact O-CB 3.43Å; C758-S762 PolarHBondContact O-N 2.98Å; C758-S762 PolarHBondContact O-OG 3.02Å; A759-S762 PolarHBondContact O-N 3.38Å; A760-S762 VanDerWaalsContact C-N 3.29Å; A760-S762 PolarHBondContact O-N 3.23Å
763L71.6Confident69.3Low70 Ų7083 Ų8337%0.36644%0.435SS..Hα-helixtrans-87.8-31.6169.3-78.2-171.1000112.9Y322 A759 A760 F761Y322-L763 HydrophobicContact CD1-CD1 3.79Å; Y322-L763 HydrophobicContact CD2-CD1 3.51Å; Y322-L763 HydrophobicContact CD2-CG 3.91Å; Y322-L763 HydrophobicContact CE1-CD1 4.27Å; Y322-L763 HydrophobicContact CE2-CD1 4.02Å; Y322-L763 HydrophobicContact CG-CD1 3.38Å; Y322-L763 HydrophobicContact CG-CG 4.13Å; A759-L763 PolarHBondContact O-N 2.97Å; A760-L763 PolarHBondContact O-N 3.07Å; A760-L763 VanDerWaalsContact O-N 3.1Å; F761-L763 PolarHBondContact O-N 3.48Å
764L65.5Low68.3Low137 Ų13783.6 Ų83.672%0.71744%0.441SS*.Hα-helixtrans-83-13.5-172.6-72.2171000114.1A760 F761 P766A760-L764 WeakPolarHBondContact O-CG 3.34Å; A760-L764 PolarHBondContact O-N 3.45Å; F761-L764 PolarHBondContact O-N 3.31Å; F761-L764 VanDerWaalsContact O-N 3.11Å; L764-P766 VanDerWaalsContact O-CD 3.25Å; L764-P766 WeakPolarHBondContact O-CD 3.45Å
765I62.6Low67.4Low92 Ų9283.5 Ų83.547%0.47244%0.439SS..SBendtrans-72.4114.6168-63.4161.9000108.3F761 R767F761-I765 HydrophobicContact CD1-CD1 3.95Å; F761-I765 HydrophobicContact CD1-CG1 4.42Å; F761-I765 HydrophobicContact CE1-CD1 3.74Å; F761-I765 HydrophobicContact CE1-CG1 4.17Å; F761-I765 HydrophobicContact CZ-CD1 4.39Å; F761-I765 HydrophobicContact CZ-CG1 4.37Å; F761-I765 WeakPolarHBondContact O-CG1 3.21Å; F761-I765 PolarHBondContact O-N 3.38Å; I765-R767 PolarHBondContact O-N 3.09Å
766P53.6Low66.6Low116 Ų11681.7 Ų81.775%0.75343%0.428SS*.  trans-68.5104.3175.128.8-33.5000109.2L764 S768L764-P766 VanDerWaalsContact O-CD 3.25Å; L764-P766 WeakPolarHBondContact O-CD 3.45Å; P766-S768 VanDerWaalsContact C-N 3.27Å; P766-S768 PolarHBondContact O-N 3.42Å
767R55.1Low65.9Low187 Ų18783.6 Ų83.671%0.70644%0.439SS*.  trans-77.680.1175.3-164.8-178.1-164.2110.55.6109.2I765 S769I765-R767 PolarHBondContact O-N 3.09Å; R767-S769 PolarHBondContact O-N 3.35Å
768S47.8Very low65.3Low71 Ų7185.5 Ų85.550%0.49744%0.439SS..  trans-51.3119.8-172.546.30000112.9P766 E770P766-S768 VanDerWaalsContact C-N 3.27Å; P766-S768 PolarHBondContact O-N 3.42Å; S768-E770 VanDerWaalsContact C-N 3.35Å
769S50.4Low64.5Low33 Ų3386.3 Ų86.323%0.23144%0.435CS..  trans-84.8-5.6177.446.60000113.8E183 R767 Y771 N772E183-S769 VanDerWaalsContact OE2-CB 3.27Å; E183-S769 WeakPolarHBondContact OE2-CB 3.32Å; E183-S769 PolarHBondContact OE2-OG 2.89Å; R767-S769 PolarHBondContact O-N 3.35Å; S769-Y771 PolarHBondContact O-N 3.22Å; S769-N772 PolarHBondContact O-N 3.24Å
770E51Low63.8Low58 Ų5887.7 Ų87.727%0.27144%0.438SS..THydrogen-bonded Turntrans-49.1-26.6-179.3-73.6-172.3130.100113.6S768 N772 V773 V774 S870S768-E770 VanDerWaalsContact C-N 3.35Å; E770-N772 PolarHBondContact O-N 2.88Å; E770-V773 PolarHBondContact O-N 3.34Å; E770-V774 WeakPolarHBondContact O-CG2 3.35Å; E770-V774 PolarHBondContact O-N 2.96Å; E770-S870 PolarHBondContact OE1-OG 3.24Å
771Y51.9Low63.1Low182 Ų18295.1 Ų95.171%0.71446%0.461SS*.Hα-helixtrans-47.2-41.6170.6-78.7-78.3000114S769 E775S769-Y771 PolarHBondContact O-N 3.22Å; Y771-E775 VanDerWaalsContact O-CB 3.26Å; Y771-E775 WeakPolarHBondContact O-CB 3.43Å; Y771-E775 PolarHBondContact O-N 2.83Å
772N60Low62.5Low103 Ų10393.1 Ų93.155%0.55146%0.456SS*.Hα-helixtrans-67.5-44.2-176.7-75.8-11000112S769 E770 F776S769-N772 PolarHBondContact O-N 3.24Å; E770-N772 PolarHBondContact O-N 2.88Å; N772-F776 WeakPolarHBondContact O-CB 3.46Å; N772-F776 PolarHBondContact O-N 3.01Å
773V60.4Low61.8Low15 Ų1593.6 Ų93.69%0.09145%0.447CS..Hα-helixtrans-72.1-43-178.7-170.20000110.2I225 A226 F251 E770 L777I225-V773 HydrophobicContact CD1-CG2 4.24Å; I225-V773 HydrophobicContact CG2-CG1 4.47Å; A226-V773 HydrophobicContact CB-CG1 4.48Å; F251-V773 HydrophobicContact CD1-CG1 4.23Å; F251-V773 HydrophobicContact CD1-CG2 4.06Å; F251-V773 HydrophobicContact CG-CG1 4.44Å; E770-V773 PolarHBondContact O-N 3.34Å; V773-L777 HydrophobicContact CG1-CD1 4.02Å; V773-L777 HydrophobicContact CG1-CG 4.48Å; V773-L777 WeakPolarHBondContact O-CB 3.45Å; V773-L777 VanDerWaalsContact O-CG 3.26Å; V773-L777 WeakPolarHBondContact O-CG 3.47Å; V773-L777 PolarHBondContact O-N 2.96Å
774V63.4Low61.1Low67 Ų6792.6 Ų92.641%0.40644%0.442SS..Hα-helixtrans-65.6-45.3179.71750000111.5E770 L777 R778E770-V774 WeakPolarHBondContact O-CG2 3.35Å; E770-V774 PolarHBondContact O-N 2.96Å; V774-L777 PolarHBondContact O-N 2.84Å; V774-R778 WeakPolarHBondContact O-CB 3.45Å; V774-R778 PolarHBondContact O-N 3.13Å
775E67.9Low60.3Low88 Ų8893.7 Ų93.741%0.41144%0.438SS..Hα-helixtrans-72.8-32.8-179.8-160.365.1-164.300111.9Y771 R778 E779Y771-E775 VanDerWaalsContact O-CB 3.26Å; Y771-E775 WeakPolarHBondContact O-CB 3.43Å; Y771-E775 PolarHBondContact O-N 2.83Å; E775-R778 VanDerWaalsContact CD-CD 3.48Å; E775-R778 WeakPolarHBondContact O-CB 3.35Å; E775-R778 PolarHBondContact O-N 3.17Å; E775-R778 VanDerWaalsContact OE1-CD 3.28Å; E775-R778 WeakPolarHBondContact OE1-CD 3.23Å; E775-R778 IonicContact OE1-CZ 3.61Å; E775-R778 IonicContact OE1-NH1 3.83Å; E775-R778 PolarHBondContact OE1-NH1 3.25Å; E775-R778 WeakPolarHBondContact OE2-CD 3.45Å; E775-R778 IonicContact OE2-CZ 2.71Å; E775-R778 IonicContact OE2-NE 3.88Å; E775-R778 IonicContact OE2-NH1 2.72Å; E775-R778 PolarHBondContact OE2-NH1 3.11Å; E775-E779 PolarHBondContact O-N 2.86Å
776F69Low59.6Low38 Ų3893.3 Ų93.317%0.16744%0.437CS..Hα-helixtrans-63.3-45.7168.9-177.7-82.8000111.8P228 F249 F251 N772 R778 E779 Y780P228-F776 HydrophobicContact CG-CD1 4.49Å; P228-F776 HydrophobicContact CG-CE1 3.75Å; F249-F776 HydrophobicContact CB-CZ 4.44Å; F249-F776 HydrophobicContact CD1-CE2 4Å; F249-F776 AromaticContact CD1-CZ 3.84Å; F249-F776 HydrophobicContact CD1-CZ 3.84Å; F249-F776 AromaticContact CD2-CZ 3.84Å; F249-F776 HydrophobicContact CD2-CZ 3.84Å; F249-F776 AromaticContact CE1-CE2 3.87Å; F249-F776 HydrophobicContact CE1-CE2 3.87Å; F249-F776 AromaticContact CE1-CZ 3.98Å; F249-F776 HydrophobicContact CE1-CZ 3.98Å; F249-F776 AromaticContact CE2-CZ 3.99Å; F249-F776 HydrophobicContact CE2-CZ 3.99Å; F249-F776 HydrophobicContact CG-CE1 4.49Å; F249-F776 HydrophobicContact CG-CE2 4.41Å; F249-F776 AromaticContact CG-CZ 3.77Å; F249-F776 HydrophobicContact CG-CZ 3.77Å; F249-F776 HydrophobicContact CZ-CE2 4.17Å; F249-F776 HydrophobicContact CZ-CZ 4.05Å; F251-F776 HydrophobicContact CE1-CB 4.19Å; F251-F776 HydrophobicContact CE1-CD1 4.3Å; F251-F776 HydrophobicContact CE1-CG 4.13Å; F251-F776 AromaticContact CE2-CD1 3.71Å; F251-F776 HydrophobicContact CE2-CD1 3.71Å; F251-F776 AromaticContact CE2-CE1 3.78Å; F251-F776 HydrophobicContact CE2-CE1 3.78Å; F251-F776 HydrophobicContact CE2-CG 4.29Å; F251-F776 HydrophobicContact CE2-CZ 4.36Å; F251-F776 HydrophobicContact CZ-CB 3.96Å; F251-F776 AromaticContact CZ-CD1 3.3Å; F251-F776 HydrophobicContact CZ-CD1 3.3Å; F251-F776 AromaticContact CZ-CD2 3.88Å; F251-F776 HydrophobicContact CZ-CD2 3.88Å; F251-F776 AromaticContact CZ-CE1 3.7Å; F251-F776 HydrophobicContact CZ-CE1 3.7Å; F251-F776 HydrophobicContact CZ-CE2 4.2Å; F251-F776 AromaticContact CZ-CG 3.41Å; F251-F776 HydrophobicContact CZ-CG 3.41Å; F251-F776 VanDerWaalsContact CZ-CG 3.41Å; F251-F776 HydrophobicContact CZ-CZ 4.12Å; N772-F776 WeakPolarHBondContact O-CB 3.46Å; N772-F776 PolarHBondContact O-N 3.01Å; F776-R778 PolarHBondContact O-N 3.28Å; F776-E779 PolarHBondContact O-N 2.9Å; F776-Y780 HydrophobicContact CE1-CD2 4.45Å; F776-Y780 VanDerWaalsContact O-CB 3.28Å; F776-Y780 WeakPolarHBondContact O-CB 3.45Å; F776-Y780 PolarHBondContact O-N 2.95Å
777L69.5Low59.2Low56 Ų5690.3 Ų90.329%0.29342%0.419SS..Hα-helixtrans-64.6-27.1177.2-72172.8000112V773 V774 R781V773-L777 HydrophobicContact CG1-CD1 4.02Å; V773-L777 HydrophobicContact CG1-CG 4.48Å; V773-L777 WeakPolarHBondContact O-CB 3.45Å; V773-L777 VanDerWaalsContact O-CG 3.26Å; V773-L777 WeakPolarHBondContact O-CG 3.47Å; V773-L777 PolarHBondContact O-N 2.96Å; V774-L777 PolarHBondContact O-N 2.84Å; L777-R781 VanDerWaalsContact O-CG 3.32Å; L777-R781 WeakPolarHBondContact O-CG 3.31Å; L777-R781 PolarHBondContact O-N 2.86Å
778R72Confident58.8Low144 Ų14484.7 Ų84.754%0.54341%0.406SS..Hα-helixtrans-70.9-49.2171.1-164.5-169.7-156.5169.82.9111.8V774 E775 F776 Y780 R781 L782V774-R778 WeakPolarHBondContact O-CB 3.45Å; V774-R778 PolarHBondContact O-N 3.13Å; E775-R778 VanDerWaalsContact CD-CD 3.48Å; E775-R778 WeakPolarHBondContact O-CB 3.35Å; E775-R778 PolarHBondContact O-N 3.17Å; E775-R778 VanDerWaalsContact OE1-CD 3.28Å; E775-R778 WeakPolarHBondContact OE1-CD 3.23Å; E775-R778 IonicContact OE1-CZ 3.61Å; E775-R778 IonicContact OE1-NH1 3.83Å; E775-R778 PolarHBondContact OE1-NH1 3.25Å; E775-R778 WeakPolarHBondContact OE2-CD 3.45Å; E775-R778 IonicContact OE2-CZ 2.71Å; E775-R778 IonicContact OE2-NE 3.88Å; E775-R778 IonicContact OE2-NH1 2.72Å; E775-R778 PolarHBondContact OE2-NH1 3.11Å; F776-R778 PolarHBondContact O-N 3.28Å; R778-Y780 VanDerWaalsContact C-N 3.27Å; R778-Y780 PolarHBondContact O-N 2.87Å; R778-R781 PolarHBondContact O-N 2.86Å; R778-L782 HydrophobicContact CG-CD1 4.45Å; R778-L782 WeakPolarHBondContact O-CG 3.49Å; R778-L782 PolarHBondContact O-N 2.68Å
779E68.7Low58.1Low93 Ų9386.1 Ų86.144%0.43540%0.403SS..Hα-helixtrans-56.8-41.2171.6-86-160.7-156.400111.9E775 F776 L782 K783E775-E779 PolarHBondContact O-N 2.86Å; F776-E779 PolarHBondContact O-N 2.9Å; E779-L782 PolarHBondContact O-N 2.86Å; E779-K783 WeakPolarHBondContact O-CB 3.26Å; E779-K783 VanDerWaalsContact O-CG 3.3Å; E779-K783 WeakPolarHBondContact O-CG 3.35Å; E779-K783 PolarHBondContact O-N 2.84Å; E779-K783 IonicContact OE2-NZ 2.86Å; E779-K783 PolarHBondContact OE2-NZ 2.96Å
780Y66.3Low57.5Low38 Ų3890.4 Ų90.415%0.14942%0.418CS..Hα-helixtrans-61.6-47.8177.4-179.7-95.6000111.5A209 P228 A229 L230 F776 R778 L782 K783 N784A209-Y780 WeakPolarHBondContact CB-OH 3.43Å; A209-Y780 PolarHBondContact O-OH 3.36Å; P228-Y780 HydrophobicContact CB-CD2 3.96Å; P228-Y780 HydrophobicContact CB-CE1 4.27Å; P228-Y780 HydrophobicContact CB-CE2 3.67Å; P228-Y780 HydrophobicContact CB-CG 4.4Å; A229-Y780 WeakPolarHBondContact O-CE2 3.46Å; A229-Y780 PolarHBondContact O-OH 3.34Å; L230-Y780 HydrophobicContact CD1-CD2 4.21Å; L230-Y780 HydrophobicContact CD2-CD2 3.53Å; L230-Y780 HydrophobicContact CD2-CE2 3.45Å; L230-Y780 VanDerWaalsContact CD2-CE2 3.45Å; L230-Y780 HydrophobicContact CG-CD2 3.77Å; L230-Y780 HydrophobicContact CG-CE2 3.75Å; F776-Y780 HydrophobicContact CE1-CD2 4.45Å; F776-Y780 VanDerWaalsContact O-CB 3.28Å; F776-Y780 WeakPolarHBondContact O-CB 3.45Å; F776-Y780 PolarHBondContact O-N 2.95Å; R778-Y780 VanDerWaalsContact C-N 3.27Å; R778-Y780 PolarHBondContact O-N 2.87Å; Y780-L782 PolarHBondContact O-N 2.69Å; Y780-K783 PolarHBondContact O-N 2.88Å; Y780-N784 VanDerWaalsContact CZ-ND2 3.26Å; Y780-N784 PolarHBondContact O-N 2.93Å; Y780-N784 PolarHBondContact OH-ND2 3.14Å
781R65.2Low57.1Low181 Ų18192.6 Ų92.668%0.68343%0.428SS*.Hα-helixtrans-59.1-44.4172.6-73.7176.7-166.6-1785.6111.7L777 R778 Y785L777-R781 VanDerWaalsContact O-CG 3.32Å; L777-R781 WeakPolarHBondContact O-CG 3.31Å; L777-R781 PolarHBondContact O-N 2.86Å; R778-R781 PolarHBondContact O-N 2.86Å; R781-Y785 WeakPolarHBondContact O-CB 3.39Å; R781-Y785 PolarHBondContact O-N 2.93Å
782L67.1Low56.4Low98 Ų9889 Ų8951%0.51342%0.421SS..Hα-helixtrans-65.1-40.2179-70.5167.9000112.3R778 E779 Y780 N786R778-L782 HydrophobicContact CG-CD1 4.45Å; R778-L782 WeakPolarHBondContact O-CG 3.49Å; R778-L782 PolarHBondContact O-N 2.68Å; E779-L782 PolarHBondContact O-N 2.86Å; Y780-L782 PolarHBondContact O-N 2.69Å; L782-N786 WeakPolarHBondContact O-CB 3.37Å; L782-N786 PolarHBondContact O-N 3.5Å; L782-N786 PolarHBondContact O-OD1 3.37Å
783K59.4Low55.5Low98 Ų9888.1 Ų88.143%0.42641%0.414SS..Hα-helixtrans-66.6-45.5177-77.2163.4176.8163.30111.8E779 Y780 N786 S787E779-K783 WeakPolarHBondContact O-CB 3.26Å; E779-K783 VanDerWaalsContact O-CG 3.3Å; E779-K783 WeakPolarHBondContact O-CG 3.35Å; E779-K783 PolarHBondContact O-N 2.84Å; E779-K783 IonicContact OE2-NZ 2.86Å; E779-K783 PolarHBondContact OE2-NZ 2.96Å; Y780-K783 PolarHBondContact O-N 2.88Å; K783-N786 PolarHBondContact O-N 3.06Å; K783-S787 PolarHBondContact O-N 2.87Å
784N57.2Low54.7Low49 Ų4991 Ų9126%0.26243%0.431SS..Hα-helixtrans-70.8-34.4177.4-71.316.3000112.3L230 Y780 S787 T788L230-N784 WeakPolarHBondContact CD2-OD1 3.45Å; Y780-N784 VanDerWaalsContact CZ-ND2 3.26Å; Y780-N784 PolarHBondContact O-N 2.93Å; Y780-N784 PolarHBondContact OH-ND2 3.14Å; N784-S787 WeakPolarHBondContact CA-OG 3.45Å; N784-S787 PolarHBondContact O-N 3.3Å; N784-S787 PolarHBondContact O-OG 3.38Å; N784-S787 VanDerWaalsContact O-OG 3.11Å; N784-T788 WeakPolarHBondContact O-CG2 3.2Å; N784-T788 PolarHBondContact O-N 2.99Å; N784-T788 PolarHBondContact O-OG1 3.44Å
785Y48.8Very low54Low161 Ų16192.3 Ų92.363%0.63144%0.435SS*.Hα-helixtrans-62-46171.8-169.5-90.5000110.7R781 T788 F789R781-Y785 WeakPolarHBondContact O-CB 3.39Å; R781-Y785 PolarHBondContact O-N 2.93Å; Y785-T788 PolarHBondContact O-OG1 3Å; Y785-T788 VanDerWaalsContact O-OG1 3.05Å; Y785-F789 WeakPolarHBondContact O-CB 3.35Å; Y785-F789 PolarHBondContact O-N 3.07Å
786N46Very low52.9Low84 Ų8491.8 Ų91.845%0.44944%0.438SS..Hα-helixtrans-68.4-36.6177-70.5-0.6000113L782 K783 F789 F790L782-N786 WeakPolarHBondContact O-CB 3.37Å; L782-N786 PolarHBondContact O-N 3.5Å; L782-N786 PolarHBondContact O-OD1 3.37Å; K783-N786 PolarHBondContact O-N 3.06Å; N786-F789 PolarHBondContact O-N 3.41Å; N786-F790 WeakPolarHBondContact O-CD2 3.42Å; N786-F790 PolarHBondContact O-N 3.14Å
787S45.6Very low51.7Low52 Ų5295.1 Ų95.136%0.36446%0.455SS..Hα-helixtrans-66.3-45.9177.470.70000111.3K783 N784 F789 F790 E791K783-S787 PolarHBondContact O-N 2.87Å; N784-S787 WeakPolarHBondContact CA-OG 3.45Å; N784-S787 PolarHBondContact O-N 3.3Å; N784-S787 PolarHBondContact O-OG 3.38Å; N784-S787 VanDerWaalsContact O-OG 3.11Å; S787-F789 VanDerWaalsContact C-N 3.26Å; S787-F789 PolarHBondContact O-N 3.19Å; S787-F790 PolarHBondContact O-N 3.49Å; S787-E791 WeakPolarHBondContact O-CB 3.25Å; S787-E791 WeakPolarHBondContact O-CG 3.37Å; S787-E791 PolarHBondContact O-N 3.23Å
788T46.4Very low50.4Low70 Ų7097 Ų9743%0.42947%0.466SS..Hα-helixtrans-65.2-28.8174.357.90000112.7N784 Y785 N792N784-T788 WeakPolarHBondContact O-CG2 3.2Å; N784-T788 PolarHBondContact O-N 2.99Å; N784-T788 PolarHBondContact O-OG1 3.44Å; Y785-T788 PolarHBondContact O-OG1 3Å; Y785-T788 VanDerWaalsContact O-OG1 3.05Å; T788-N792 PolarHBondContact O-N 2.81Å; T788-N792 PolarHBondContact O-ND2 3.17Å
789F34.1Very low49.1Very low100 Ų10094.6 Ų94.644%0.43946%0.463SS..Hα-helixtrans-67.7-50.4171.4-170-95.8000111.8Y785 N786 S787 E791 N792 E793Y785-F789 WeakPolarHBondContact O-CB 3.35Å; Y785-F789 PolarHBondContact O-N 3.07Å; N786-F789 PolarHBondContact O-N 3.41Å; S787-F789 VanDerWaalsContact C-N 3.26Å; S787-F789 PolarHBondContact O-N 3.19Å; F789-E791 PolarHBondContact O-N 2.96Å; F789-N792 PolarHBondContact O-N 3.26Å; F789-E793 HydrophobicContact CD1-CG 4.24Å; F789-E793 HydrophobicContact CE1-CG 3.9Å; F789-E793 VanDerWaalsContact CE1-OE1 3.29Å; F789-E793 WeakPolarHBondContact CE1-OE1 3.41Å; F789-E793 WeakPolarHBondContact CE1-OE2 3.48Å; F789-E793 HydrophobicContact CZ-CG 4.31Å; F789-E793 PolarHBondContact O-N 3.46Å
790F37.3Very low47.7Very low124 Ų12498 Ų9854%0.54447%0.473SS..Hα-helixtrans-68-32.1179.1-79.5-61.9000113.9N786 S787 E793 T794N786-F790 WeakPolarHBondContact O-CD2 3.42Å; N786-F790 PolarHBondContact O-N 3.14Å; S787-F790 PolarHBondContact O-N 3.49Å; F790-E793 PolarHBondContact O-N 3.36Å; F790-T794 WeakPolarHBondContact O-CB 3.45Å; F790-T794 WeakPolarHBondContact O-CG2 3.17Å; F790-T794 PolarHBondContact O-N 3.07Å; F790-T794 PolarHBondContact O-OG1 3.1Å
791E42Very low46.5Very low104 Ų104101.5 Ų101.549%0.48649%0.491SS..Hα-helixtrans-65.6-39.3171.6-74.8176.4154.400111S787 F789 T794 I795S787-E791 WeakPolarHBondContact O-CB 3.25Å; S787-E791 WeakPolarHBondContact O-CG 3.37Å; S787-E791 PolarHBondContact O-N 3.23Å; F789-E791 PolarHBondContact O-N 2.96Å; E791-T794 PolarHBondContact O-OG1 2.84Å; E791-I795 WeakPolarHBondContact O-CB 3.12Å; E791-I795 WeakPolarHBondContact O-CD1 3.34Å; E791-I795 WeakPolarHBondContact O-CG1 3.23Å; E791-I795 PolarHBondContact O-N 2.99Å; E791-I795 VanDerWaalsContact O-N 3.08Å
792N37.8Very low45.2Very low105 Ų10597.8 Ų97.856%0.56149%0.485SS*.Hα-helixtrans-68-42.9173.2-78.3-60.3000112.9T788 F789 I795 T796T788-N792 PolarHBondContact O-N 2.81Å; T788-N792 PolarHBondContact O-ND2 3.17Å; F789-N792 PolarHBondContact O-N 3.26Å; N792-I795 PolarHBondContact O-N 3.31Å; N792-T796 PolarHBondContact O-N 3.46Å; N792-T796 PolarHBondContact O-OG1 2.7Å
793E40.7Very low44.1Very low86 Ų8699 Ų9940%0.40249%0.491SS..Hα-helixtrans-65.3-37.4176.3-74.3-166.414100113F789 F790 T796 M797F789-E793 HydrophobicContact CD1-CG 4.24Å; F789-E793 HydrophobicContact CE1-CG 3.9Å; F789-E793 VanDerWaalsContact CE1-OE1 3.29Å; F789-E793 WeakPolarHBondContact CE1-OE1 3.41Å; F789-E793 WeakPolarHBondContact CE1-OE2 3.48Å; F789-E793 HydrophobicContact CZ-CG 4.31Å; F789-E793 PolarHBondContact O-N 3.46Å; F790-E793 PolarHBondContact O-N 3.36Å; E793-T796 WeakPolarHBondContact CA-OG1 3.38Å; E793-T796 PolarHBondContact O-N 2.91Å; E793-T796 PolarHBondContact O-OG1 3.3Å; E793-M797 WeakPolarHBondContact O-CB 3.4Å; E793-M797 VanDerWaalsContact O-CG 3.26Å; E793-M797 WeakPolarHBondContact O-CG 3.3Å; E793-M797 PolarHBondContact O-N 3.15Å
794T44.3Very low43.2Very low74 Ų74100 Ų10045%0.45450%0.5SS..Hα-helixtrans-72-31.8176.549.20000112.4F790 E791 N798F790-T794 WeakPolarHBondContact O-CB 3.45Å; F790-T794 WeakPolarHBondContact O-CG2 3.17Å; F790-T794 PolarHBondContact O-N 3.07Å; F790-T794 PolarHBondContact O-OG1 3.1Å; E791-T794 PolarHBondContact O-OG1 2.84Å; T794-N798 WeakPolarHBondContact O-CB 3.37Å; T794-N798 VanDerWaalsContact O-CG 3.28Å; T794-N798 PolarHBondContact O-N 2.84Å; T794-N798 PolarHBondContact O-ND2 2.81Å
795I48.5Very low42.3Very low95 Ų95103 Ų10349%0.48752%0.52SS..Hα-helixtrans-67-42.8171.5-70.7166000111.2E791 N792 N799E791-I795 WeakPolarHBondContact O-CB 3.12Å; E791-I795 WeakPolarHBondContact O-CD1 3.34Å; E791-I795 WeakPolarHBondContact O-CG1 3.23Å; E791-I795 PolarHBondContact O-N 2.99Å; E791-I795 VanDerWaalsContact O-N 3.08Å; N792-I795 PolarHBondContact O-N 3.31Å; I795-N799 WeakPolarHBondContact O-CB 3.31Å; I795-N799 VanDerWaalsContact O-CG 3.31Å; I795-N799 PolarHBondContact O-N 3.42Å; I795-N799 VanDerWaalsContact O-N 3.14Å; I795-N799 PolarHBondContact O-ND2 2.64Å
796T45.6Very low41.7Very low77 Ų77103.6 Ų103.647%0.47253%0.528SS..Hα-helixtrans-68.7-40.7177.354.50000112.5N792 E793 N799 Y800N792-T796 PolarHBondContact O-N 3.46Å; N792-T796 PolarHBondContact O-OG1 2.7Å; E793-T796 WeakPolarHBondContact CA-OG1 3.38Å; E793-T796 PolarHBondContact O-N 2.91Å; E793-T796 PolarHBondContact O-OG1 3.3Å; T796-N799 PolarHBondContact O-N 2.83Å; T796-Y800 PolarHBondContact O-N 3.04Å
797M42.6Very low41Very low109 Ų109106.5 Ų106.554%0.53754%0.543SS..Hα-helixtrans-62.2-45.6176-75.9-67.5-66.600112.7E793 N799 Y800 Q801E793-M797 WeakPolarHBondContact O-CB 3.4Å; E793-M797 VanDerWaalsContact O-CG 3.26Å; E793-M797 WeakPolarHBondContact O-CG 3.3Å; E793-M797 PolarHBondContact O-N 3.15Å; M797-N799 VanDerWaalsContact C-N 3.34Å; M797-N799 PolarHBondContact O-N 3.21Å; M797-Y800 PolarHBondContact O-N 3Å; M797-Q801 PolarHBondContact O-N 3.1Å
798N43.1Very low40.5Very low96 Ų96109.7 Ų109.751%0.51356%0.563SS.*Hα-helixtrans-63.5-39177.4-75.6-38.7000112.1T794 Q801 N802T794-N798 WeakPolarHBondContact O-CB 3.37Å; T794-N798 VanDerWaalsContact O-CG 3.28Å; T794-N798 PolarHBondContact O-N 2.84Å; T794-N798 PolarHBondContact O-ND2 2.81Å; N798-Q801 PolarHBondContact O-N 3.23Å; N798-N802 PolarHBondContact O-N 2.65Å; N798-N802 VanDerWaalsContact O-N 3.07Å; N798-N802 PolarHBondContact O-ND2 2.57Å
799N45.6Very low39.6Very low92 Ų92114.5 Ų114.549%0.49259%0.585SS.*Hα-helixtrans-64.8-40.7174.6-73.9-21.6000112.1I795 T796 M797 I803I795-N799 WeakPolarHBondContact O-CB 3.31Å; I795-N799 VanDerWaalsContact O-CG 3.31Å; I795-N799 PolarHBondContact O-N 3.42Å; I795-N799 VanDerWaalsContact O-N 3.14Å; I795-N799 PolarHBondContact O-ND2 2.64Å; T796-N799 PolarHBondContact O-N 2.83Å; M797-N799 VanDerWaalsContact C-N 3.34Å; M797-N799 PolarHBondContact O-N 3.21Å; N799-I803 WeakPolarHBondContact O-CD1 3.39Å; N799-I803 VanDerWaalsContact O-CG1 3.29Å; N799-I803 WeakPolarHBondContact O-CG1 3.32Å; N799-I803 PolarHBondContact O-N 2.77Å
800Y38.2Very low39.6Very low164 Ų164116.2 Ų116.264%0.64360%0.599SS**Hα-helixtrans-64.8-40.3174.6-99.6-82.7000113T796 M797 I803 I804T796-Y800 PolarHBondContact O-N 3.04Å; M797-Y800 PolarHBondContact O-N 3Å; Y800-I803 PolarHBondContact O-N 2.82Å; Y800-I804 WeakPolarHBondContact O-CD1 3.45Å; Y800-I804 WeakPolarHBondContact O-CG1 3.4Å; Y800-I804 PolarHBondContact O-N 3.23Å
801Q40.3Very low39.3Very low112 Ų112116.5 Ų116.552%0.52361%0.607SS.*Hα-helixtrans-69.1-38179.5-76.5177.7-115.100112.6M797 N798 I803 I804 T805M797-Q801 PolarHBondContact O-N 3.1Å; N798-Q801 PolarHBondContact O-N 3.23Å; Q801-I803 VanDerWaalsContact C-N 3.34Å; Q801-I803 PolarHBondContact O-N 3.02Å; Q801-I804 PolarHBondContact O-N 3.18Å; Q801-T805 PolarHBondContact O-N 2.73Å; Q801-T805 PolarHBondContact O-OG1 3.25Å
802N39.8Very low39Very low103 Ų103118.1 Ų118.155%0.55162%0.618SS**Hα-helixtrans-63.4-38.5174.6-70.9-18.4000112.3N798 I804 T805N798-N802 PolarHBondContact O-N 2.65Å; N798-N802 VanDerWaalsContact O-N 3.07Å; N798-N802 PolarHBondContact O-ND2 2.57Å; N802-I804 PolarHBondContact O-N 3.43Å; N802-T805 PolarHBondContact O-N 3.31Å; N802-T805 PolarHBondContact O-OG1 3Å; N802-T805 VanDerWaalsContact O-OG1 3.06Å
803I42.6Very low38.7Very low125 Ų125119.5 Ų119.564%0.64163%0.626SS**Hα-helixtrans-66.5-25.1176.6-69.8166.7000112N799 Y800 Q801N799-I803 WeakPolarHBondContact O-CD1 3.39Å; N799-I803 VanDerWaalsContact O-CG1 3.29Å; N799-I803 WeakPolarHBondContact O-CG1 3.32Å; N799-I803 PolarHBondContact O-N 2.77Å; Y800-I803 PolarHBondContact O-N 2.82Å; Q801-I803 VanDerWaalsContact C-N 3.34Å; Q801-I803 PolarHBondContact O-N 3.02Å
804I40.8Very low38.3Very low119 Ų119121.7 Ų121.761%0.6164%0.64SS**Hα-helixtrans-86.1-19.7179.9-68.6167.3000112.4Y800 Q801 N802Y800-I804 WeakPolarHBondContact O-CD1 3.45Å; Y800-I804 WeakPolarHBondContact O-CG1 3.4Å; Y800-I804 PolarHBondContact O-N 3.23Å; Q801-I804 PolarHBondContact O-N 3.18Å; N802-I804 PolarHBondContact O-N 3.43Å
805T37.4Very low37.9Very low112 Ų112124.5 Ų124.569%0.68765%0.653SS**SBendtrans-87.6-5.617742.50000115.5Q801 N802Q801-T805 PolarHBondContact O-N 2.73Å; Q801-T805 PolarHBondContact O-OG1 3.25Å; N802-T805 PolarHBondContact O-N 3.31Å; N802-T805 PolarHBondContact O-OG1 3Å; N802-T805 VanDerWaalsContact O-OG1 3.06Å
806E36.5Very low37Very low173 Ų173126.3 Ų126.381%0.80866%0.663SS**  trans-10462.3177.3-65.6-164.9162.700113
807L32.7Very low36.3Very low145 Ų145129.8 Ų129.876%0.75968%0.679SS**  trans-111.6131.5167.3-83.3164.7000110.7N809L807-N809 PolarHBondContact O-N 2.88Å
808P33.8Very low36Very low119 Ų119134.9 Ų134.977%0.77370%0.698SS**  trans-76.5125.4-166.828.7-34.8000113.3N810P808-N810 PolarHBondContact O-N 2.93Å
809N28.8Very low35.3Very low170 Ų170137.8 Ų137.891%0.90971%0.713SS**  trans-58.6126.6169.9-100.8-33.9000111.5L807L807-N809 PolarHBondContact O-N 2.88Å
810N33.5Very low34.7Very low137 Ų137139.9 Ų139.973%0.73372%0.723SS**  trans-144.680.4168.6-163.49000113.4P808P808-N810 PolarHBondContact O-N 2.93Å
811N31.4Very low34.3Very low130 Ų130138.5 Ų138.570%0.69573%0.726SS**  trans63.9145.3142.9-65.4-49.2000122.5
812N34.6Very low33.7Very low137 Ų137139.3 Ų139.373%0.73373%0.734SS**  trans78.189.5153.3-59.6-12.4000120
813N31.9Very low33.2Very low134 Ų134140.5 Ų140.572%0.71775%0.745SS**  73.4132.7117.8-78.736.7000123.4
814D32.9Very low32.5Very low132 Ų132143.3 Ų143.371%0.70676%0.755SS**  trans88.7133.5142.2-59.8-19000121.9
815N35.2Very low32.1Very low134 Ų134145 Ų14572%0.71776%0.764SS**  trans75.978.5158.3-62.9-47.8000120.5
816N29Very low32Very low133 Ų133147 Ų14771%0.71177%0.77SS**  56.6136.8110.2-65.3-41.8000121.3
817N31.8Very low31.6Very low149 Ų149148.5 Ų148.580%0.79777%0.774SS**  trans71.377150.6-57.9-22.5000119.3
818K36.3Very low31.6Very low217 Ų217150.5 Ų150.594%0.94378%0.78SS**  -167.7129108.9-107.1170.4-177.7178.50113.6
819L29Very low31.5Very low157 Ų157150.8 Ų150.882%0.82278%0.784SS**  trans-117.1160.7165.5-167.274.5000108
820I31.7Very low31.6Very low136 Ų136150.1 Ų150.170%0.69778%0.779SS**  trans68.6101.1168.6-34.9-180000115.6
821N31.2Very low31.6Very low135 Ų135150.7 Ų150.772%0.72278%0.782SS**  -164.3122.6111.8-102.4-9000112.5
822L27.4Very low31.6Very low129 Ų129152 Ų15268%0.67579%0.789SS**  45.8112.3128.5-53.2169.6000117.7
823T28.3Very low31.6Very low127 Ų127150.2 Ų150.278%0.77979%0.785SS**  60.15964.476.90000114.4
824E29.2Very low31.4Very low184 Ų184150.3 Ų150.386%0.8679%0.785SS**  trans-152.2-179.6157.4-122.8167.5-152.400109.4
825I32.1Very low31.3Very low156 Ų156151.5 Ų151.580%0.879%0.792SS**  trans81.5140-178.5-54.7165000115
826N34.5Very low31.2Very low153 Ų153154.1 Ų154.182%0.81880%0.8SS**  trans72.551.6172.4-65-11.7000119.8
827K28.8Very low31.2Very low205 Ų205156.7 Ų156.789%0.89181%0.805SS**  trans-108.793.1133.2-93.2-173.9175.8177.40109.7
828Q31.5Very low31Very low187 Ų187159 Ų15987%0.87481%0.807SS**  trans177106.4155-104.8165.927.900112.1
829S33.3Very low30.6Very low125 Ų125153.5 Ų153.587%0.87480%0.796SS**  175.5129.3129.536.20000109.9
830I29.9Very low30.9Very low155 Ų155154.5 Ų154.580%0.79580%0.801SS**  trans-111.6132.5167.8-61.2166.2000104.6
831N33.8Very low30.8Very low150 Ų150154.4 Ų154.480%0.80280%0.801SS**  trans172.2145.1136.6-88-23000114.7
832N32.4Very low30.6Very low158 Ų158154.8 Ų154.885%0.84580%0.802SS**  trans68.8145.8159.9-88.716.1000122.3
833P33Very low30.8Very low99 Ų99156.3 Ų156.364%0.64381%0.811SS**  trans-111.8-168.7-179.445.2-36.6000113.9
834D28Very low31Very low135 Ų135159.6 Ų159.672%0.72282%0.818SS**  trans80135.3157.9-61.4-28.8000120.3
835N30.6Very low30.9Very low157 Ų157160.3 Ų160.384%0.8482%0.818SS**  trans72.8147.2-179.9-46.3-67000114.8
836E34.3Very low30.6Very low190 Ų190160.3 Ų160.389%0.88882%0.819SS**  cis-140.5174.89-152.7163.7-167.300113.1
837K28.5Very low30.2Very low187 Ų187161.3 Ų161.381%0.81382%0.821SS**  trans-90.1152-171.6-70.9165.9-179.7159.70113.1
838K27.5Very low30.3Very low196 Ų196159.2 Ų159.285%0.85282%0.817SS**  trans31109.5144-63178.1174.5-175.70117.3
839S28.4Very low30Very low102 Ų102156.2 Ų156.271%0.71381%0.812SS**  169.3103.910357.30000113.5
840I34.5Very low29.7Very low179 Ų179156.9 Ų156.992%0.91881%0.806SS**  trans-128.6110.7143.6-61.2-176.2000105.9
841I29.2Very low29.6Very low134 Ų134157.2 Ų157.269%0.68780%0.804SS**  trans-117.7143.9-177.5-81.8174.1000107.1
842N28.6Very low29.4Very low142 Ų142161 Ų16176%0.75981%0.809SS**  trans61.5103.8174.2-59.4-19.9000116.3
843N30.9Very low29Very low161 Ų161162.7 Ų162.786%0.86181%0.809SS**  -141.4170116.4-98-33.9000109.1
844E32.1Very low28.8Very low196 Ų196162.6 Ų162.692%0.91681%0.808SS**  trans62.780.9177-55-164138.100116
845K26.5Very low28.7Very low199 Ų199163.8 Ų163.887%0.86581%0.807SS**  trans-13870.2164.9-169.7-161.4174.8-178.60111.6
846L26.4Very low28.7Very low156 Ų156165.9 Ų165.982%0.81780%0.804SS**  trans-160.5148.3155.6-143.971.1000111.6
847M27.2Very low28.4Very low174 Ų174161.7 Ų161.786%0.85779%0.788SS**  trans65.6137.8-173.8-44.1-170.1-171.400113.1
848I30.5Very low28.6Very low161 Ų161158.9 Ų158.983%0.82678%0.781SS**  cis-117.5132.92.5-64.8169000109.3
849T25.4Very low28.9Very low124 Ų124156 Ų15676%0.76177%0.773SS**  trans-89.2121.7163470000109.6
850N27.2Very low29Very low139 Ų139157 Ų15774%0.74377%0.771SS**  trans-169.4145.5132.9-95.6-5.8000111.5
851E26.5Very low29Very low163 Ų163151.5 Ų151.576%0.76275%0.748SS**  trans32.9102.3147.9-56-179.9135.300119
852Y30.8Very low29.2Very low228 Ų228150.2 Ų150.289%0.89474%0.742SS**  -172.1135102.2-112.5-89.6000109.7
853K22.9Very low29.5Very low194 Ų194148.7 Ų148.784%0.84373%0.734SS**  trans-150.392.6-178.1-171.8-178.3-178.1177.70113.1
854P29.1Very low29.9Very low98 Ų98144.2 Ų144.264%0.63672%0.715SS**  trans-74.1130.5161.630.2-30.2000109.9Y856P854-Y856 HydrophobicContact CB-CE2 4.49Å
855K25.1Very low30.4Very low160 Ų160139.2 Ų139.270%0.69669%0.694SS**  trans-66.8146.2161.2-87.6-178.8158.5-1550109.4D857K855-D857 IonicContact NZ-OD1 2.81Å
856Y31.6Very low30.8Very low200 Ų200134.8 Ų134.878%0.78468%0.68SS**  trans-129.1122.6150.9-84.3-79.4000108.9P854 I858P854-Y856 HydrophobicContact CB-CE2 4.49Å; Y856-I858 VanDerWaalsContact C-N 3.32Å; Y856-I858 PolarHBondContact O-N 2.7Å
857D28.1Very low31.5Very low102 Ų102132.7 Ų132.755%0.54567%0.669SS.*  trans-83.472.5-171.8-66-55000111.3K855 I859 N860K855-D857 IonicContact NZ-OD1 2.81Å; D857-I859 PolarHBondContact O-N 2.99Å; D857-I859 VanDerWaalsContact O-N 3.07Å; D857-N860 PolarHBondContact O-N 3Å
858I32.9Very low32.2Very low129 Ų129133.4 Ų133.466%0.66266%0.663SS**THydrogen-bonded Turntrans-60.8-15.6179-65.8173.1000112.8Y856 S861 L862Y856-I858 VanDerWaalsContact C-N 3.32Å; Y856-I858 PolarHBondContact O-N 2.7Å; I858-S861 PolarHBondContact O-OG 2.84Å; I858-L862 WeakPolarHBondContact O-CD1 3.4Å
859I32.5Very low32.7Very low135 Ų135128.2 Ų128.269%0.69264%0.637SS**Hα-helixtrans-75.7-33.6-175.8-63.5173.7000112.2D857 S861D857-I859 PolarHBondContact O-N 2.99Å; D857-I859 VanDerWaalsContact O-N 3.07Å; I859-S861 PolarHBondContact O-N 2.75Å
860N31.7Very low33.7Very low124 Ų124123.5 Ų123.566%0.66361%0.61SS**Hα-helixtrans-82.1-9.6-172.8-70.8-3.9000114.4D857D857-N860 PolarHBondContact O-N 3Å
861S34.1Very low34.4Very low63 Ų63121.8 Ų121.844%0.44161%0.606SS.*Hα-helixtrans-84.7-32.7178.558.20000112.9I858 I859 D863 S864I858-S861 PolarHBondContact O-OG 2.84Å; I859-S861 PolarHBondContact O-N 2.75Å; S861-D863 PolarHBondContact O-N 3.04Å; S861-S864 PolarHBondContact O-N 3.46Å; S861-S864 PolarHBondContact O-OG 3.47Å
862L33.4Very low35.3Very low106 Ų106122.1 Ų122.156%0.55560%0.601SS**Hα-helixtrans-64.9-40.1-179.1-85.382.3000112.7I858 S864 I865I858-L862 WeakPolarHBondContact O-CD1 3.4Å; L862-S864 PolarHBondContact O-N 2.88Å; L862-I865 WeakPolarHBondContact O-CB 3.33Å; L862-I865 PolarHBondContact O-N 3.21Å
863D34.7Very low36.4Very low111 Ų111114 Ų11459%0.59457%0.571SS**Hα-helixtrans-66.8-20.4-178-74.2-24.8000113.5S861 I865S861-D863 PolarHBondContact O-N 3.04Å; D863-I865 VanDerWaalsContact C-N 3.31Å
864S39.9Very low37.6Very low66 Ų66110.3 Ų110.346%0.46255%0.552SS.*Hα-helixtrans-70.9-26.7172.376.70000113.2S861 L862S861-S864 PolarHBondContact O-N 3.46Å; S861-S864 PolarHBondContact O-OG 3.47Å; L862-S864 PolarHBondContact O-N 2.88Å
865I41Very low38.6Very low92 Ų92110 Ų11047%0.47255%0.545SS..Hα-helixtrans-80.4-29.9-169.4-62.2173.2000111.4L862 D863 N867 Y868L862-I865 WeakPolarHBondContact O-CB 3.33Å; L862-I865 PolarHBondContact O-N 3.21Å; D863-I865 VanDerWaalsContact C-N 3.31Å; I865-N867 PolarHBondContact O-N 3.14Å; I865-N867 VanDerWaalsContact O-N 3.12Å; I865-Y868 PolarHBondContact O-N 3.45Å
866N36.7Very low40.1Very low106 Ų106106.5 Ų106.557%0.56754%0.537SS*.G310 helixtrans-63.9-16.5179-71.4-34.5000114L869N866-L869 WeakPolarHBondContact O-CD1 3.17Å
867N40.3Very low40.8Very low112 Ų112100.4 Ų100.460%0.59952%0.518SS*.G310 helixtrans-83.3-12.3179.4-78.5-53.9000114.6I865 R874I865-N867 PolarHBondContact O-N 3.14Å; I865-N867 VanDerWaalsContact O-N 3.12Å; N867-R874 PolarHBondContact O-NH2 3.43Å
868Y42.5Very low41.9Very low188 Ų188101.8 Ų101.874%0.73752%0.521SS*.G310 helixtrans-95.64.3-176.5-73.6-84.3000114.9I865I865-Y868 PolarHBondContact O-N 3.45Å
869L40.6Very low42.6Very low52 Ų52102.1 Ų102.127%0.27252%0.52SS..SBendtrans-75.9137.2174.1-69.789.8000111.5N866 Q873 R874N866-L869 WeakPolarHBondContact O-CD1 3.17Å; L869-Q873 HydrophobicContact CB-CB 4.17Å; L869-Q873 HydrophobicContact CD2-CB 4.25Å; L869-R874 HydrophobicContact CB-CG 4.28Å; L869-R874 PolarHBondContact O-NE 3.07Å; L869-R874 PolarHBondContact O-NH2 3.4Å
870S46.1Very low43.3Very low26 Ų2697.5 Ų97.518%0.18250%0.499CS..  trans-61.3155.4-179.583.50000111.6E770 Y872 Q873 R874E770-S870 PolarHBondContact OE1-OG 3.24Å; S870-Y872 PolarHBondContact O-N 3.24Å; S870-Y872 VanDerWaalsContact O-N 3.13Å; S870-Y872 PolarHBondContact OG-N 2.84Å; S870-Q873 PolarHBondContact O-N 2.94Å; S870-Q873 PolarHBondContact OG-N 3.26Å; S870-Q873 VanDerWaalsContact OG-N 3.09Å; S870-R874 WeakPolarHBondContact O-CG 3.42Å; S870-R874 PolarHBondContact O-N 3.19Å
871P42.2Very low44Very low103 Ų10395.6 Ų95.667%0.66949%0.489SS*.Hα-helixtrans-55-30.9175.2-26.935.7000113.3L875P871-L875 WeakPolarHBondContact O-CG 3.33Å; P871-L875 PolarHBondContact O-N 3.41Å
872Y44.2Very low44.7Very low170 Ų17096 Ų9667%0.66749%0.489SS*.Hα-helixtrans-72.6-43.7174-91.7-86.7000112.8S870 R874 L875 V876S870-Y872 PolarHBondContact O-N 3.24Å; S870-Y872 VanDerWaalsContact O-N 3.13Å; S870-Y872 PolarHBondContact OG-N 2.84Å; Y872-R874 VanDerWaalsContact C-N 3.31Å; Y872-R874 PolarHBondContact O-N 3.21Å; Y872-L875 WeakPolarHBondContact O-CB 3.29Å; Y872-L875 PolarHBondContact O-N 3.05Å; Y872-L875 VanDerWaalsContact O-N 3.15Å; Y872-V876 WeakPolarHBondContact O-CG2 3.43Å; Y872-V876 PolarHBondContact O-N 2.93Å
873Q53.8Low45.1Very low56 Ų5696.8 Ų96.826%0.26249%0.493SS..Hα-helixtrans-63-37.6175.5-74.3174.3-27.600112L869 S870 L875 V876 D877L869-Q873 HydrophobicContact CB-CB 4.17Å; L869-Q873 HydrophobicContact CD2-CB 4.25Å; S870-Q873 PolarHBondContact O-N 2.94Å; S870-Q873 PolarHBondContact OG-N 3.26Å; S870-Q873 VanDerWaalsContact OG-N 3.09Å; Q873-L875 VanDerWaalsContact C-N 3.31Å; Q873-L875 PolarHBondContact O-N 3.03Å; Q873-V876 PolarHBondContact O-N 3.21Å; Q873-D877 WeakPolarHBondContact O-CB 3.4Å; Q873-D877 PolarHBondContact O-N 2.93Å
874R48.5Very low45.6Very low117 Ų11797 Ų9744%0.44249%0.489SS..Hα-helixtrans-60-39.7172.7-64.8179.2-163.3-1442112.3N867 L869 S870 Y872 Q878N867-R874 PolarHBondContact O-NH2 3.43Å; L869-R874 HydrophobicContact CB-CG 4.28Å; L869-R874 PolarHBondContact O-NE 3.07Å; L869-R874 PolarHBondContact O-NH2 3.4Å; S870-R874 WeakPolarHBondContact O-CG 3.42Å; S870-R874 PolarHBondContact O-N 3.19Å; Y872-R874 VanDerWaalsContact C-N 3.31Å; Y872-R874 PolarHBondContact O-N 3.21Å; R874-Q878 VanDerWaalsContact O-CB 3.31Å; R874-Q878 WeakPolarHBondContact O-CB 3.23Å; R874-Q878 VanDerWaalsContact O-CG 3.27Å; R874-Q878 WeakPolarHBondContact O-CG 3.27Å; R874-Q878 PolarHBondContact O-N 3.47Å
875L50.7Low45.8Very low92 Ų9299.4 Ų99.448%0.48249%0.493SS..Hα-helixtrans-68.7-41.8175.2-73.6165.3000112.3P871 Y872 Q873 Q879P871-L875 WeakPolarHBondContact O-CG 3.33Å; P871-L875 PolarHBondContact O-N 3.41Å; Y872-L875 WeakPolarHBondContact O-CB 3.29Å; Y872-L875 PolarHBondContact O-N 3.05Å; Y872-L875 VanDerWaalsContact O-N 3.15Å; Q873-L875 VanDerWaalsContact C-N 3.31Å; Q873-L875 PolarHBondContact O-N 3.03Å; L875-Q879 WeakPolarHBondContact O-CB 3.05Å; L875-Q879 WeakPolarHBondContact O-CG 3.25Å; L875-Q879 PolarHBondContact O-N 2.84Å
876V56.3Low45.8Very low87 Ų87102.8 Ų102.853%0.52750%0.501SS..Hα-helixtrans-66.9-39177.5173.40000111.6Y872 Q873 Q879 S880Y872-V876 WeakPolarHBondContact O-CG2 3.43Å; Y872-V876 PolarHBondContact O-N 2.93Å; Q873-V876 PolarHBondContact O-N 3.21Å; V876-Q879 PolarHBondContact O-N 2.7Å; V876-S880 VanDerWaalsContact O-CB 3.32Å; V876-S880 WeakPolarHBondContact O-CB 3.48Å; V876-S880 PolarHBondContact O-N 2.89Å
877D46.6Very low46.1Very low71 Ų71101 Ų10138%0.3849%0.493SS..Hα-helixtrans-79.6-27.5177.4-76.6-34.4000113.4Q873 S880 N881Q873-D877 WeakPolarHBondContact O-CB 3.4Å; Q873-D877 PolarHBondContact O-N 2.93Å; D877-S880 PolarHBondContact O-OG 3.44Å; D877-S880 PolarHBondContact OD1-OG 3.28Å; D877-N881 VanDerWaalsContact O-CB 3.3Å; D877-N881 WeakPolarHBondContact O-CB 3.45Å; D877-N881 PolarHBondContact O-N 2.86Å; D877-N881 PolarHBondContact O-ND2 3.44Å
878Q50.5Low46.1Very low131 Ų131100.3 Ų100.361%0.61249%0.49SS*.Hα-helixtrans-64-43.8164.6-79.9-178.9-38.200111R874 T882R874-Q878 VanDerWaalsContact O-CB 3.31Å; R874-Q878 WeakPolarHBondContact O-CB 3.23Å; R874-Q878 VanDerWaalsContact O-CG 3.27Å; R874-Q878 WeakPolarHBondContact O-CG 3.27Å; R874-Q878 PolarHBondContact O-N 3.47Å; Q878-T882 WeakPolarHBondContact O-CB 3.25Å; Q878-T882 WeakPolarHBondContact O-CG2 3.39Å; Q878-T882 PolarHBondContact O-N 3.41Å; Q878-T882 PolarHBondContact O-OG1 2.82Å
879Q48.9Very low46.2Very low137 Ų13797.4 Ų97.464%0.6448%0.483SS*.Hα-helixtrans-67.6-39.1175.5-73.2-177.7-0.500112.7L875 V876 T882 L883L875-Q879 WeakPolarHBondContact O-CB 3.05Å; L875-Q879 WeakPolarHBondContact O-CG 3.25Å; L875-Q879 PolarHBondContact O-N 2.84Å; V876-Q879 PolarHBondContact O-N 2.7Å; Q879-T882 WeakPolarHBondContact CA-OG1 3.43Å; Q879-T882 PolarHBondContact O-OG1 2.74Å; Q879-L883 WeakPolarHBondContact O-CB 3.43Å; Q879-L883 PolarHBondContact O-N 2.91Å
880S46.3Very low46.1Very low37 Ų37100.6 Ų100.626%0.25950%0.5SS..Hα-helixtrans-71.5-36.6-179.484.80000112.5V876 D877 K884V876-S880 VanDerWaalsContact O-CB 3.32Å; V876-S880 WeakPolarHBondContact O-CB 3.48Å; V876-S880 PolarHBondContact O-N 2.89Å; D877-S880 PolarHBondContact O-OG 3.44Å; D877-S880 PolarHBondContact OD1-OG 3.28Å; S880-K884 WeakPolarHBondContact O-CB 3.49Å; S880-K884 VanDerWaalsContact O-CG 3.31Å; S880-K884 WeakPolarHBondContact O-CG 3.48Å; S880-K884 PolarHBondContact O-N 3.38Å
881N47.7Very low45.7Very low84 Ų84105.6 Ų105.645%0.44953%0.525SS..Hα-helixtrans-77.5-37.8176.8-69.9-55.8000112.4D877 K884 Q885D877-N881 VanDerWaalsContact O-CB 3.3Å; D877-N881 WeakPolarHBondContact O-CB 3.45Å; D877-N881 PolarHBondContact O-N 2.86Å; D877-N881 PolarHBondContact O-ND2 3.44Å; N881-K884 PolarHBondContact O-N 2.91Å; N881-Q885 WeakPolarHBondContact O-CG 3.45Å; N881-Q885 PolarHBondContact O-N 3.36Å
882T48.2Very low45.4Very low73 Ų73106.9 Ų106.945%0.44853%0.525SS..Hα-helixtrans-63.8-41.4170.747.30000111.6Q878 Q879 K884 Q885 Y886Q878-T882 WeakPolarHBondContact O-CB 3.25Å; Q878-T882 WeakPolarHBondContact O-CG2 3.39Å; Q878-T882 PolarHBondContact O-N 3.41Å; Q878-T882 PolarHBondContact O-OG1 2.82Å; Q879-T882 WeakPolarHBondContact CA-OG1 3.43Å; Q879-T882 PolarHBondContact O-OG1 2.74Å; T882-K884 VanDerWaalsContact C-N 3.33Å; T882-K884 PolarHBondContact O-N 2.81Å; T882-Q885 PolarHBondContact O-N 3.33Å; T882-Y886 WeakPolarHBondContact O-CD2 3.44Å; T882-Y886 PolarHBondContact O-N 3.29Å
883L41.4Very low44.9Very low121 Ų121105.9 Ų105.963%0.63453%0.531SS*.Hα-helixtrans-64.5-37175.7-158.675.1000112Q879 Y886 T887Q879-L883 WeakPolarHBondContact O-CB 3.43Å; Q879-L883 PolarHBondContact O-N 2.91Å; L883-Y886 CarbonylContact O-C 3.57Å; L883-Y886 PolarHBondContact O-N 3.35Å; L883-T887 WeakPolarHBondContact O-CG2 3.35Å; L883-T887 PolarHBondContact O-N 3.03Å; L883-T887 PolarHBondContact O-OG1 2.7Å
884K45.3Very low44Very low117 Ų117110.9 Ų110.951%0.50956%0.56SS.*Hα-helixtrans-65.9-45.9174-80.9174.5-179.7173.10113.2S880 N881 T882 Y886 T887 D888S880-K884 WeakPolarHBondContact O-CB 3.49Å; S880-K884 VanDerWaalsContact O-CG 3.31Å; S880-K884 WeakPolarHBondContact O-CG 3.48Å; S880-K884 PolarHBondContact O-N 3.38Å; N881-K884 PolarHBondContact O-N 2.91Å; T882-K884 VanDerWaalsContact C-N 3.33Å; T882-K884 PolarHBondContact O-N 2.81Å; K884-Y886 VanDerWaalsContact C-N 3.27Å; K884-Y886 PolarHBondContact O-N 3.18Å; K884-T887 WeakPolarHBondContact CA-OG1 3.45Å; K884-T887 PolarHBondContact O-N 2.58Å; K884-T887 PolarHBondContact O-OG1 2.77Å; K884-D888 WeakPolarHBondContact O-CB 3.24Å; K884-D888 PolarHBondContact O-N 3.06Å
885Q44Very low43.4Very low116 Ų116112.5 Ų112.554%0.54258%0.576SS.*Hα-helixtrans-57.9-43.6173.6-71.4-174.8-93.500110.6N881 T882 T887 D888 E889N881-Q885 WeakPolarHBondContact O-CG 3.45Å; N881-Q885 PolarHBondContact O-N 3.36Å; T882-Q885 PolarHBondContact O-N 3.33Å; Q885-T887 VanDerWaalsContact C-N 3.3Å; Q885-T887 PolarHBondContact O-N 3.47Å; Q885-D888 PolarHBondContact O-N 3.03Å; Q885-E889 WeakPolarHBondContact O-CB 3.26Å; Q885-E889 WeakPolarHBondContact O-CG 3.32Å; Q885-E889 PolarHBondContact O-N 3.33Å
886Y41Very low42.5Very low162 Ų162117.7 Ų117.764%0.63559%0.594SS**Hα-helixtrans-66.8-20.2174.1-90.8-79.4000115.1T882 L883 K884 N890T882-Y886 WeakPolarHBondContact O-CD2 3.44Å; T882-Y886 PolarHBondContact O-N 3.29Å; L883-Y886 CarbonylContact O-C 3.57Å; L883-Y886 PolarHBondContact O-N 3.35Å; K884-Y886 VanDerWaalsContact C-N 3.27Å; K884-Y886 PolarHBondContact O-N 3.18Å; Y886-N890 WeakPolarHBondContact O-CB 3.4Å; Y886-N890 PolarHBondContact O-ND2 3.08Å
887T43Very low41.3Very low68 Ų68119 Ų11942%0.41761%0.608SS.*Hα-helixtrans-93-27.3173.556.60000113.9L883 K884 Q885 N891L883-T887 WeakPolarHBondContact O-CG2 3.35Å; L883-T887 PolarHBondContact O-N 3.03Å; L883-T887 PolarHBondContact O-OG1 2.7Å; K884-T887 WeakPolarHBondContact CA-OG1 3.45Å; K884-T887 PolarHBondContact O-N 2.58Å; K884-T887 PolarHBondContact O-OG1 2.77Å; Q885-T887 VanDerWaalsContact C-N 3.3Å; Q885-T887 PolarHBondContact O-N 3.47Å; T887-N891 PolarHBondContact O-ND2 3.47Å
888D41.2Very low40.7Very low98 Ų98122.5 Ų122.552%0.52463%0.626SS.*Hα-helixtrans-86.8-35.3-178.5-66-19.3000111.2K884 Q885 N891 I892K884-D888 WeakPolarHBondContact O-CB 3.24Å; K884-D888 PolarHBondContact O-N 3.06Å; Q885-D888 PolarHBondContact O-N 3.03Å; D888-N891 PolarHBondContact O-N 2.89Å; D888-I892 WeakPolarHBondContact O-CG1 3.32Å
889E42.7Very low40.1Very low128 Ų128123.5 Ų123.560%0.59863%0.631SS**G310 helixtrans-67.5-38.3171.2-69.1-176.3153.600111.7Q885 N891 I892Q885-E889 WeakPolarHBondContact O-CB 3.26Å; Q885-E889 WeakPolarHBondContact O-CG 3.32Å; Q885-E889 PolarHBondContact O-N 3.33Å; E889-N891 PolarHBondContact O-N 3.1Å; E889-N891 VanDerWaalsContact O-N 3.16Å; E889-I892 PolarHBondContact O-N 3.14Å
890N39.3Very low39.3Very low118 Ų118123.3 Ų123.363%0.63163%0.633SS**G310 helixtrans-74.33.4176.7-80.1-70.2000114.7Y886Y886-N890 WeakPolarHBondContact O-CB 3.4Å; Y886-N890 PolarHBondContact O-ND2 3.08Å
891N37.4Very low38.6Very low131 Ų131130.3 Ų130.370%0.70166%0.659SS**G310 helixtrans-107.51.5174.4-94.8-61.6000114.2T887 D888 E889T887-N891 PolarHBondContact O-ND2 3.47Å; D888-N891 PolarHBondContact O-N 2.89Å; E889-N891 PolarHBondContact O-N 3.1Å; E889-N891 VanDerWaalsContact O-N 3.16Å
892I37.3Very low38Very low131 Ų131134.9 Ų134.967%0.67268%0.675SS**SBendtrans-107-0.2-173.1-60.9174000113D888 E889 N894D888-I892 WeakPolarHBondContact O-CG1 3.32Å; E889-I892 PolarHBondContact O-N 3.14Å; I892-N894 PolarHBondContact O-N 3.45Å
893D32.8Very low37.2Very low149 Ų149141.9 Ų141.980%0.79769%0.693SS**THydrogen-bonded Turntrans-85.12.7-177.5-94.4-21.8000116.4
894N35Very low36.7Very low161 Ų161142.8 Ų142.886%0.86170%0.699SS**THydrogen-bonded Turntrans-88.14.4176.1-92.4-46000114.6I892I892-N894 PolarHBondContact O-N 3.45Å
895I35.4Very low36.2Very low150 Ų150146.1 Ų146.177%0.76971%0.714SS**SBendtrans-134.765.9-177.3-45.1179.6000112.2
896K33.3Very low35.6Very low202 Ų202145.9 Ų145.988%0.87872%0.716SS**  trans-170.681148.8-103.8148.3-170.4170.90112.8D898K896-D898 PolarHBondContact O-N 3.41Å
897S30.9Very low35.3Very low115 Ų115146 Ų14680%0.80472%0.722SS**  trans-71.799.7155.953.80000109.6
898D34.1Very low34.9Very low144 Ų144149.8 Ų149.877%0.7774%0.735SS**  trans174.7164.3142.1-93.7-19.9000113K896K896-D898 PolarHBondContact O-N 3.41Å
899Q36.5Very low34.4Very low152 Ų152155.7 Ų155.771%0.7175%0.75SS**  trans73.565170.1-50.2-49.7-36.900119.5
900L31.8Very low34.1Very low132 Ų132158.5 Ų158.569%0.69176%0.76SS**  48.5106.6119.4-69.9164.6000121.4
901K31.7Very low33.9Very low184 Ų184159.9 Ų159.980%0.877%0.768SS**  38.9107.1123.3-63.5176.8177.41710119.1
902K35.3Very low33.9Very low180 Ų180158.9 Ų158.978%0.78377%0.768SS**  170.8145.7104.4-98.9173.8179.5175.90116
903R31.9Very low34.3Very low221 Ų221160.6 Ų160.683%0.83478%0.779SS**  trans76.2109.4150.9-76.7178.9-74.2-160.1-1119.9
904N30.4Very low34.6Very low139 Ų139161.8 Ų161.874%0.74378%0.784SS**  trans-59.4160.3148-39-1.3000111.1
905F35.4Very low34.7Very low188 Ų188164.2 Ų164.283%0.82581%0.805SS**  -175.5110.2119.6-112.4-77.1000112
906D32.2Very low34.7Very low111 Ų111164.9 Ų164.959%0.59481%0.807SS**  trans39.3161.8139.4-48.4-9.1000124.8
907H34.5Very low34.7Very low163 Ų163162.9 Ų162.976%0.75580%0.803SS**  trans70.7149.9164.6-67.8-83.9000119.1
908E33.4Very low34.9Very low149 Ų149165.6 Ų165.670%0.69680%0.803SS**  cis-161.7157-28.4-162.7171165.400110.5
909W30.6Very low35Very low222 Ų222166.9 Ų166.984%0.84181%0.805SS**  trans-12.1134.9168-67.155.7000119.7
910K36.8Very low34.9Very low186 Ų186167.8 Ų167.881%0.80981%0.811SS**  -175.2144.3104.5-103.3160.7-172.8164.70118.4
911N35.8Very low35.1Very low148 Ų148170.2 Ų170.279%0.79182%0.819SS**  trans72.8136.6151.7-80.512.1000122.2
912P37.6Very low35.3Very low109 Ų109169.2 Ų169.271%0.70882%0.82SS**  trans-101173.2173.441.5-35.9000113
913N44.5Very low35.3Very low168 Ų168168.4 Ų168.490%0.89882%0.823SS**  trans-149.3124.4141.2-95-42.4000108.1
914L39Very low35.6Very low173 Ų173164 Ų16491%0.90682%0.822SS**  trans-128.3131.6171.4-139.187.3000108.7
915T37.5Very low36.1Very low212 Ų212166.3 Ų166.3100%1.30183%0.829SS**  trans-141.90170.2530000108.1

Retrieved 915 of 915 residues in 964.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).