A0A5K4F488_SCHMA Loading...

C1q domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F488, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 326 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.4Low72.5Confident219 Ų219137 Ų137100%1.07964%0.643SS**  0-55.80-75.6-178.3171.600114.1Y3 N4M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.43Å; M1-Y3 VanDerWaalsContact O-N 3.14Å; M1-N4 PolarHBondContact O-N 2.71Å; M1-N4 VanDerWaalsContact O-N 3.08Å
2K55.1Low73.6Confident175 Ų175136.8 Ų136.876%0.76164%0.638SS**Hα-helixtrans-50.6-40.7-175.2-72.9-173.5176.1-1780115.6N4 L5 Y6K2-N4 VanDerWaalsContact C-N 3.31Å; K2-N4 PolarHBondContact O-N 3.17Å; K2-L5 PolarHBondContact O-N 3.18Å; K2-L5 VanDerWaalsContact O-N 3.14Å; K2-Y6 WeakPolarHBondContact O-CD2 3.5Å
3Y59.5Low74.9Confident206 Ų206133.2 Ų133.281%0.80863%0.625SS**Hα-helixtrans-57.5-35.4178.4-90.6-85.8000114.5M1 L5 Y6 F7M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.43Å; M1-Y3 VanDerWaalsContact O-N 3.14Å; Y3-L5 VanDerWaalsContact C-N 3.32Å; Y3-L5 PolarHBondContact O-N 3.17Å; Y3-Y6 PolarHBondContact O-N 3.2Å; Y3-F7 PolarHBondContact O-N 3.39Å; Y3-F7 VanDerWaalsContact O-N 3.14Å
4N67.1Low75.9Confident121 Ų121130.7 Ų130.765%0.64762%0.617SS**Hα-helixtrans-68.3-30.3178.4-83.2-1.1000112.6M1 K2 T8M1-N4 PolarHBondContact O-N 2.71Å; M1-N4 VanDerWaalsContact O-N 3.08Å; K2-N4 VanDerWaalsContact C-N 3.31Å; K2-N4 PolarHBondContact O-N 3.17Å; N4-T8 WeakPolarHBondContact O-CG2 3.2Å; N4-T8 PolarHBondContact O-N 2.97Å; N4-T8 VanDerWaalsContact O-N 3.12Å; N4-T8 PolarHBondContact O-OG1 2.89Å
5L69.8Low76.6Confident123 Ų123129 Ų12964%0.64461%0.608SS**Hα-helixtrans-69.1-42.2177.1-108.780.9000112K2 Y3 F7 T8 Q9K2-L5 PolarHBondContact O-N 3.18Å; K2-L5 VanDerWaalsContact O-N 3.14Å; Y3-L5 VanDerWaalsContact C-N 3.32Å; Y3-L5 PolarHBondContact O-N 3.17Å; L5-F7 VanDerWaalsContact C-N 3.35Å; L5-T8 PolarHBondContact O-OG1 2.8Å; L5-T8 VanDerWaalsContact O-OG1 3.06Å; L5-Q9 PolarHBondContact O-N 2.75Å; L5-Q9 VanDerWaalsContact O-N 3.08Å
6Y73.4Confident77.2Confident164 Ų164125.9 Ų125.964%0.64360%0.601SS**Hα-helixtrans-66.8-38.2177.2-71.1-71.9000111.8K2 Y3 Q9 L10K2-Y6 WeakPolarHBondContact O-CD2 3.5Å; Y3-Y6 PolarHBondContact O-N 3.2Å; Y6-Q9 PolarHBondContact O-N 3Å; Y6-L10 WeakPolarHBondContact O-CB 3.25Å; Y6-L10 PolarHBondContact O-N 2.98Å
7F80.8Confident77.7Confident132 Ų132123.2 Ų123.258%0.57959%0.59SS**Hα-helixtrans-66.3-42.5178.7-165.6-107.9000112.4Y3 L5 L10 I11Y3-F7 PolarHBondContact O-N 3.39Å; Y3-F7 VanDerWaalsContact O-N 3.14Å; L5-F7 VanDerWaalsContact C-N 3.35Å; F7-L10 PolarHBondContact O-N 2.93Å; F7-I11 HydrophobicContact CD1-CD1 3.75Å; F7-I11 HydrophobicContact CE1-CD1 3.56Å; F7-I11 HydrophobicContact CZ-CD1 4.21Å; F7-I11 WeakPolarHBondContact O-CG1 3.33Å; F7-I11 PolarHBondContact O-N 3.38Å; F7-I11 VanDerWaalsContact O-N 3.14Å
8T82.1Confident78.2Confident70 Ų70121.5 Ų121.543%0.42958%0.583SS.*Hα-helixtrans-66.6-41.8175.153.90000112.1N4 L5 L10 I11 F12N4-T8 WeakPolarHBondContact O-CG2 3.2Å; N4-T8 PolarHBondContact O-N 2.97Å; N4-T8 VanDerWaalsContact O-N 3.12Å; N4-T8 PolarHBondContact O-OG1 2.89Å; L5-T8 PolarHBondContact O-OG1 2.8Å; L5-T8 VanDerWaalsContact O-OG1 3.06Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L10 PolarHBondContact O-N 3.33Å; T8-I11 PolarHBondContact O-N 2.99Å; T8-F12 WeakPolarHBondContact O-CD2 3.24Å; T8-F12 PolarHBondContact O-N 3.43Å; T8-F12 VanDerWaalsContact O-N 3.09Å
9Q81.3Confident78.5Confident121 Ų121120.4 Ų120.457%0.56558%0.58SS**Hα-helixtrans-58.4-43.1174.1-105.4179.9-2800112.4L5 Y6 I11 F12 I13L5-Q9 PolarHBondContact O-N 2.75Å; L5-Q9 VanDerWaalsContact O-N 3.08Å; Y6-Q9 PolarHBondContact O-N 3Å; Q9-I11 VanDerWaalsContact C-N 3.35Å; Q9-I11 PolarHBondContact O-N 3.34Å; Q9-F12 PolarHBondContact O-N 3.37Å; Q9-I13 VanDerWaalsContact O-CG1 3.31Å; Q9-I13 WeakPolarHBondContact O-CG1 3.47Å; Q9-I13 PolarHBondContact O-N 2.94Å
10L87Confident78.7Confident100 Ų100119.5 Ų119.552%0.52458%0.578SS.*Hα-helixtrans-63.3-39.8178.7-168.270.3000112.1Y6 F7 T8 I13 L14Y6-L10 WeakPolarHBondContact O-CB 3.25Å; Y6-L10 PolarHBondContact O-N 2.98Å; F7-L10 PolarHBondContact O-N 2.93Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L10 PolarHBondContact O-N 3.33Å; L10-I13 PolarHBondContact O-N 3.18Å; L10-L14 HydrophobicContact CD1-CD1 4.44Å; L10-L14 HydrophobicContact CG-CD1 4.2Å; L10-L14 WeakPolarHBondContact O-CD1 3.26Å; L10-L14 PolarHBondContact O-N 3.37Å
11I87.8Confident78.8Confident76 Ų76120.5 Ų120.539%0.3958%0.579SS.*Hα-helixtrans-62.7-45.1175.6-69.7165.7000111.3F7 T8 Q9 I13 L14 Q15F7-I11 HydrophobicContact CD1-CD1 3.75Å; F7-I11 HydrophobicContact CE1-CD1 3.56Å; F7-I11 HydrophobicContact CZ-CD1 4.21Å; F7-I11 WeakPolarHBondContact O-CG1 3.33Å; F7-I11 PolarHBondContact O-N 3.38Å; F7-I11 VanDerWaalsContact O-N 3.14Å; T8-I11 PolarHBondContact O-N 2.99Å; Q9-I11 VanDerWaalsContact C-N 3.35Å; Q9-I11 PolarHBondContact O-N 3.34Å; I11-I13 VanDerWaalsContact C-N 3.31Å; I11-I13 PolarHBondContact O-N 3.06Å; I11-L14 PolarHBondContact O-N 2.88Å; I11-Q15 PolarHBondContact O-N 2.78Å
12F86.5Confident79.7Confident135 Ų135114.6 Ų114.659%0.59255%0.552SS**Hα-helixtrans-62.9-36.6177-79.6-65.5000112.6T8 Q9 T16T8-F12 WeakPolarHBondContact O-CD2 3.24Å; T8-F12 PolarHBondContact O-N 3.43Å; T8-F12 VanDerWaalsContact O-N 3.09Å; Q9-F12 PolarHBondContact O-N 3.37Å; F12-T16 WeakPolarHBondContact O-CG2 3.37Å; F12-T16 PolarHBondContact O-N 2.96Å; F12-T16 PolarHBondContact O-OG1 3.13Å; F12-T16 VanDerWaalsContact O-OG1 3.11Å
13I89.5Confident80.5Confident90 Ų90112.9 Ų112.946%0.46255%0.545SS..Hα-helixtrans-68.1-43.2175.4-65.9165.5000110.6Q9 L10 I11 Q15 T16 I17Q9-I13 VanDerWaalsContact O-CG1 3.31Å; Q9-I13 WeakPolarHBondContact O-CG1 3.47Å; Q9-I13 PolarHBondContact O-N 2.94Å; L10-I13 PolarHBondContact O-N 3.18Å; I11-I13 VanDerWaalsContact C-N 3.31Å; I11-I13 PolarHBondContact O-N 3.06Å; I13-Q15 PolarHBondContact O-N 3.23Å; I13-T16 PolarHBondContact O-N 3.47Å; I13-T16 PolarHBondContact O-OG1 3.06Å; I13-T16 VanDerWaalsContact O-OG1 3.05Å; I13-I17 HydrophobicContact CG2-CD1 3.82Å; I13-I17 WeakPolarHBondContact O-CD1 3.31Å; I13-I17 VanDerWaalsContact O-CG1 3.26Å; I13-I17 WeakPolarHBondContact O-CG1 3.31Å; I13-I17 PolarHBondContact O-N 2.88Å
14L89.4Confident81.1Confident98 Ų98107 Ų10751%0.51353%0.526SS..Hα-helixtrans-62.2-42.7174.5-10289000112.3L10 I11 I17 I18L10-L14 HydrophobicContact CD1-CD1 4.44Å; L10-L14 HydrophobicContact CG-CD1 4.2Å; L10-L14 WeakPolarHBondContact O-CD1 3.26Å; L10-L14 PolarHBondContact O-N 3.37Å; I11-L14 PolarHBondContact O-N 2.88Å; L14-I17 PolarHBondContact O-N 2.93Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.44Å; L14-I18 PolarHBondContact O-N 3.45Å
15Q86.7Confident81.3Confident105 Ų105109.3 Ų109.349%0.49153%0.527SS..Hα-helixtrans-63-42.7178.4-79.7-173.4-36.700112.5I11 I13 I18 I19I11-Q15 PolarHBondContact O-N 2.78Å; I13-Q15 PolarHBondContact O-N 3.23Å; Q15-I18 PolarHBondContact O-N 3.49Å; Q15-I19 WeakPolarHBondContact O-CD1 3.38Å; Q15-I19 VanDerWaalsContact O-CG1 3.28Å; Q15-I19 WeakPolarHBondContact O-CG1 3.45Å; Q15-I19 PolarHBondContact O-N 2.84Å
16T85.1Confident81.3Confident80 Ų80108.6 Ų108.649%0.49152%0.523SS..Hα-helixtrans-66.9-37.1177.7510000112.1F12 I13 I19 L20F12-T16 WeakPolarHBondContact O-CG2 3.37Å; F12-T16 PolarHBondContact O-N 2.96Å; F12-T16 PolarHBondContact O-OG1 3.13Å; F12-T16 VanDerWaalsContact O-OG1 3.11Å; I13-T16 PolarHBondContact O-N 3.47Å; I13-T16 PolarHBondContact O-OG1 3.06Å; I13-T16 VanDerWaalsContact O-OG1 3.05Å; T16-I19 PolarHBondContact O-N 2.94Å; T16-L20 WeakPolarHBondContact O-CB 3.41Å; T16-L20 WeakPolarHBondContact O-CG 3.39Å; T16-L20 PolarHBondContact O-N 2.97Å
17I87.3Confident81Confident79 Ų79105.6 Ų105.641%0.40552%0.517SS..Hα-helixtrans-61.6-46.9172.3-69.7168000111.2I13 L14 I19 L20 F21I13-I17 HydrophobicContact CG2-CD1 3.82Å; I13-I17 WeakPolarHBondContact O-CD1 3.31Å; I13-I17 VanDerWaalsContact O-CG1 3.26Å; I13-I17 WeakPolarHBondContact O-CG1 3.31Å; I13-I17 PolarHBondContact O-N 2.88Å; L14-I17 PolarHBondContact O-N 2.93Å; I17-I19 VanDerWaalsContact C-N 3.34Å; I17-I19 PolarHBondContact O-N 2.72Å; I17-L20 WeakPolarHBondContact O-CB 3.39Å; I17-L20 PolarHBondContact O-N 3.02Å; I17-F21 HydrophobicContact CG2-CD2 3.66Å; I17-F21 HydrophobicContact CG2-CE2 3.69Å; I17-F21 WeakPolarHBondContact O-CD2 3.41Å; I17-F21 PolarHBondContact O-N 3.26Å
18I86.1Confident80Confident93 Ų93105.2 Ų105.248%0.47752%0.515SS..Hα-helixtrans-61.7-41178-68.6163.1000111.4L14 Q15 F21 N22L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.44Å; L14-I18 PolarHBondContact O-N 3.45Å; Q15-I18 PolarHBondContact O-N 3.49Å; I18-F21 PolarHBondContact O-N 2.77Å; I18-N22 WeakPolarHBondContact O-CB 3.24Å; I18-N22 PolarHBondContact O-N 2.82Å
19I84.3Confident78.5Confident101 Ų101102.5 Ų102.552%0.51850%0.502SS..Hα-helixtrans-64.9-39.4176.6-68.5163.9000111.3Q15 T16 I17 K23Q15-I19 WeakPolarHBondContact O-CD1 3.38Å; Q15-I19 VanDerWaalsContact O-CG1 3.28Å; Q15-I19 WeakPolarHBondContact O-CG1 3.45Å; Q15-I19 PolarHBondContact O-N 2.84Å; T16-I19 PolarHBondContact O-N 2.94Å; I17-I19 VanDerWaalsContact C-N 3.34Å; I17-I19 PolarHBondContact O-N 2.72Å; I19-K23 PolarHBondContact O-N 2.95Å
20L82.3Confident76.8Confident102 Ų102102.2 Ų102.253%0.53450%0.504SS..Hα-helixtrans-64.5-47.1174.7-78.3163.1000111.6T16 I17 N22 K23 I24T16-L20 WeakPolarHBondContact O-CB 3.41Å; T16-L20 WeakPolarHBondContact O-CG 3.39Å; T16-L20 PolarHBondContact O-N 2.97Å; I17-L20 WeakPolarHBondContact O-CB 3.39Å; I17-L20 PolarHBondContact O-N 3.02Å; L20-N22 PolarHBondContact O-N 2.98Å; L20-K23 PolarHBondContact O-N 2.75Å; L20-I24 WeakPolarHBondContact O-CB 3.34Å; L20-I24 VanDerWaalsContact O-CG1 3.27Å; L20-I24 WeakPolarHBondContact O-CG1 3.26Å; L20-I24 PolarHBondContact O-N 2.66Å
21F80.9Confident74.8Confident140 Ų140102.5 Ų102.561%0.61450%0.503SS*.Hα-helixtrans-60.8-41.3175.8-87.9-72.6000112.5I17 I18 I24 Y25I17-F21 HydrophobicContact CG2-CD2 3.66Å; I17-F21 HydrophobicContact CG2-CE2 3.69Å; I17-F21 WeakPolarHBondContact O-CD2 3.41Å; I17-F21 PolarHBondContact O-N 3.26Å; I18-F21 PolarHBondContact O-N 2.77Å; F21-I24 PolarHBondContact O-N 3.05Å; F21-Y25 WeakPolarHBondContact O-CB 3.22Å; F21-Y25 PolarHBondContact O-N 2.86Å
22N72.8Confident72.6Confident95 Ų95102.3 Ų102.351%0.50851%0.508SS..Hα-helixtrans-64.9-39.4175-77.7-22.1000112.4I18 L20 Y25 I26I18-N22 WeakPolarHBondContact O-CB 3.24Å; I18-N22 PolarHBondContact O-N 2.82Å; L20-N22 PolarHBondContact O-N 2.98Å; N22-Y25 PolarHBondContact O-N 3.04Å; N22-I26 WeakPolarHBondContact O-CD1 3.44Å; N22-I26 VanDerWaalsContact O-CG1 3.25Å; N22-I26 WeakPolarHBondContact O-CG1 3.48Å; N22-I26 PolarHBondContact O-N 2.79Å
23K70.1Confident70.4Confident139 Ų139103.3 Ų103.360%0.60451%0.514SS*.Hα-helixtrans-63.4-44.1172.9-88.3-171.1170.7-1740112.4I19 L20 Y25 I26 I27I19-K23 PolarHBondContact O-N 2.95Å; L20-K23 PolarHBondContact O-N 2.75Å; K23-Y25 VanDerWaalsContact C-N 3.35Å; K23-I26 PolarHBondContact O-N 2.98Å; K23-I27 WeakPolarHBondContact O-CG1 3.41Å; K23-I27 PolarHBondContact O-N 2.96Å
24I73.7Confident67.8Low82 Ų82102.3 Ų102.342%0.42152%0.515SS..Hα-helixtrans-61.8-44.4176.8-71.5166.8000110L20 F21 I26 I27 F28L20-I24 WeakPolarHBondContact O-CB 3.34Å; L20-I24 VanDerWaalsContact O-CG1 3.27Å; L20-I24 WeakPolarHBondContact O-CG1 3.26Å; L20-I24 PolarHBondContact O-N 2.66Å; F21-I24 PolarHBondContact O-N 3.05Å; I24-I26 PolarHBondContact O-N 2.83Å; I24-I27 PolarHBondContact O-N 2.83Å; I24-F28 HydrophobicContact CG2-CD2 3.72Å; I24-F28 HydrophobicContact CG2-CE2 3.98Å; I24-F28 VanDerWaalsContact O-CD2 3.27Å; I24-F28 WeakPolarHBondContact O-CD2 3.45Å; I24-F28 PolarHBondContact O-N 2.96Å
25Y70.7Confident65Low171 Ų171104.6 Ų104.667%0.67153%0.525SS*.Hα-helixtrans-65.6-34176.7-171.5-98.6000113F21 N22 K23 G29F21-Y25 WeakPolarHBondContact O-CB 3.22Å; F21-Y25 PolarHBondContact O-N 2.86Å; N22-Y25 PolarHBondContact O-N 3.04Å; K23-Y25 VanDerWaalsContact C-N 3.35Å; Y25-G29 VanDerWaalsContact O-CA 3.24Å; Y25-G29 WeakPolarHBondContact O-CA 3.31Å; Y25-G29 PolarHBondContact O-N 3.27Å
26I69.6Low62.5Low107 Ų107105.1 Ų105.155%0.54954%0.536SS..Hα-helixtrans-67.2-36.6172.5-70.9163.1000111.5N22 K23 I24 N30N22-I26 WeakPolarHBondContact O-CD1 3.44Å; N22-I26 VanDerWaalsContact O-CG1 3.25Å; N22-I26 WeakPolarHBondContact O-CG1 3.48Å; N22-I26 PolarHBondContact O-N 2.79Å; K23-I26 PolarHBondContact O-N 2.98Å; I24-I26 PolarHBondContact O-N 2.83Å; I26-N30 PolarHBondContact O-ND2 3.3Å
27I67.1Low59.9Low101 Ų101105.8 Ų105.852%0.51854%0.543SS..Hα-helixtrans-68.8-51.6177.9-68.1163.2000110.5K23 I24K23-I27 WeakPolarHBondContact O-CG1 3.41Å; K23-I27 PolarHBondContact O-N 2.96Å; I24-I27 PolarHBondContact O-N 2.83Å
28F59.9Low57Low124 Ų124105.4 Ų105.454%0.54456%0.56SS.*Hα-helixtrans-89.7-23.1-173.5-65.2-68.5000114.8I24 E31 S32I24-F28 HydrophobicContact CG2-CD2 3.72Å; I24-F28 HydrophobicContact CG2-CE2 3.98Å; I24-F28 VanDerWaalsContact O-CD2 3.27Å; I24-F28 WeakPolarHBondContact O-CD2 3.45Å; I24-F28 PolarHBondContact O-N 2.96Å; F28-E31 PolarHBondContact O-N 3.39Å; F28-S32 PolarHBondContact O-N 3.47Å
29G51.4Low54.2Low14 Ų14107.3 Ų107.314%0.14457%0.57CS.*Hα-helixtrans-65-41.8177.400000112.1Y25 E31 S32Y25-G29 VanDerWaalsContact O-CA 3.24Å; Y25-G29 WeakPolarHBondContact O-CA 3.31Å; Y25-G29 PolarHBondContact O-N 3.27Å; G29-E31 VanDerWaalsContact C-N 3.26Å; G29-E31 PolarHBondContact O-N 2.74Å; G29-S32 PolarHBondContact O-N 3.11Å; G29-S32 VanDerWaalsContact O-N 3.09Å; G29-S32 PolarHBondContact O-OG 2.87Å
30N45Very low51.5Low115 Ų115111.4 Ų111.462%0.61558%0.584SS**Hα-helixtrans-67.7-23.1177.4-69.7-15000113.4I26 S34I26-N30 PolarHBondContact O-ND2 3.3Å; N30-S34 PolarHBondContact O-OG 3.22Å; N30-S34 VanDerWaalsContact O-OG 3.09Å
31E45.2Very low48.8Very low106 Ų106113.8 Ų113.850%0.49560%0.598SS.*Hα-helixtrans-78.8-24.1172.8-66.8-173154.100112.1F28 G29 S34 M35F28-E31 PolarHBondContact O-N 3.39Å; G29-E31 VanDerWaalsContact C-N 3.26Å; G29-E31 PolarHBondContact O-N 2.74Å; E31-S34 WeakPolarHBondContact CA-OG 3.24Å; E31-S34 PolarHBondContact O-OG 3.26Å; E31-M35 PolarHBondContact O-N 3.5Å
32S41.5Very low46.1Very low72 Ų72113.9 Ų113.950%0.50361%0.61SS.*Hα-helixtrans-74-33.5179.872.40000114.2F28 G29F28-S32 PolarHBondContact O-N 3.47Å; G29-S32 PolarHBondContact O-N 3.11Å; G29-S32 VanDerWaalsContact O-N 3.09Å; G29-S32 PolarHBondContact O-OG 2.87Å
33E40.9Very low43.9Very low155 Ų155116.3 Ų116.372%0.72462%0.623SS**Hα-helixtrans-81.5-24.6175.4-67.7-168.3158.300113.1T36E33-T36 PolarHBondContact O-OG1 3.36Å
34S34.4Very low41.9Very low69 Ų69118 Ų11848%0.48363%0.633SS.*Hα-helixtrans-79.4-24.5178.851.50000113.7N30 E31 S37N30-S34 PolarHBondContact O-OG 3.22Å; N30-S34 VanDerWaalsContact O-OG 3.09Å; E31-S34 WeakPolarHBondContact CA-OG 3.24Å; E31-S34 PolarHBondContact O-OG 3.26Å; S34-S37 PolarHBondContact O-OG 2.96Å
35M30.1Very low39.4Very low147 Ų147122.6 Ų122.672%0.72465%0.652SS**Hα-helixtrans-83.3-15.9176.9-68.7-155-179.500115E31E31-M35 PolarHBondContact O-N 3.5Å
36T33.4Very low37.2Very low116 Ų116120.2 Ų120.271%0.71266%0.655SS**SBendtrans-89-10177.450.20000114.6E33E33-T36 PolarHBondContact O-OG1 3.36Å
37S31.1Very low35Very low93 Ų93122.3 Ų122.365%0.6567%0.667SS**SBendtrans-99.8-0.6176.954.70000114.3S34S34-S37 PolarHBondContact O-OG 2.96Å
38G27.2Very low32.8Very low72 Ų72123.6 Ų123.674%0.74268%0.675SS**SBendtrans-88.2-11.5179.300000115.6
39L26.1Very low31Very low133 Ų133124.5 Ų124.570%0.69669%0.686SS**SBendtrans-101.2144.8169.1-77.9130.8000109
40F27.6Very low29.6Very low187 Ų187135.6 Ų135.682%0.8272%0.723SS**SBendtrans73.784.3-174-51.4-80000116.5
41N26.3Very low28.5Very low152 Ų152135.1 Ų135.181%0.81373%0.729SS**  168.894.3110.4-85.6-31.6000114.3
42T24.7Very low27.5Very low141 Ų141137.8 Ų137.887%0.86575%0.746SS**  trans-146.469.9149.646.20000110.3
43N25.7Very low26.5Very low146 Ų146138.6 Ų138.678%0.78175%0.752SS**  trans-146133164.2-99.4-34.5000111.4
44H27.7Very low25.7Very low176 Ų176136.9 Ų136.982%0.81576%0.757SS**  trans56.995.9170.6-72.3-76.2000119.2
45Q22.1Very low25.1Very low178 Ų178138.7 Ų138.783%0.83277%0.769SS**  trans-58165.6139-67.4179.8-36.200111.3
46V23.8Very low24.8Very low121 Ų121136.1 Ų136.173%0.73377%0.766SS**  trans8086.9169-164.50000115.6
47N23Very low24.4Very low150 Ų150135.4 Ų135.480%0.80277%0.765SS**  -162.9153.799.8-111.1-43.9000116.1
48N21.5Very low23.9Very low129 Ų129138.1 Ų138.169%0.6977%0.768SS**  trans-69.2163-172.9-66-54000116
49N21.5Very low23.8Very low143 Ų143144.6 Ų144.677%0.76577%0.771SS**  trans67.2103148.8-59-23.1000119.1
50R22.8Very low24Very low246 Ų246143.8 Ų143.893%0.92877%0.774SS**  -179.1149.397.9-96.8170.4-178.6-178.20.8113.2
51S21.2Very low24Very low105 Ų105146.6 Ų146.673%0.73478%0.779SS**  trans-72.8147167.952.40000112.9
52L25.4Very low24Very low163 Ų163144.2 Ų144.285%0.85378%0.775SS**  trans170.8102.9151.3-88.1146.5000104.9
53S21Very low23.9Very low89 Ų89146.1 Ų146.162%0.62277%0.774SS**  70.2127.573.673.90000115.4
54S23Very low24Very low119 Ų119149.4 Ų149.483%0.83278%0.781SS**  trans58.2152.5172.750.40000116.4
55S22.4Very low23.9Very low107 Ų107144.7 Ų144.775%0.74878%0.78SS**  cis-161.6-172.3-19.458.90000106
56S22.9Very low24Very low92 Ų92146.4 Ų146.464%0.64379%0.785SS**  cis-164.6175.255.60000108.9
57S24.4Very low24Very low101 Ų101149.4 Ų149.471%0.70679%0.794SS**  trans75.4146156.778.60000119.5
58Q22.5Very low24.1Very low151 Ų151146.7 Ų146.771%0.70679%0.786SS**  cis-172.8131.3-35-112.8157.8-62.900110.4
59Y23.2Very low24.4Very low207 Ų207146.1 Ų146.181%0.81279%0.792SS**  trans55.2167.7152.1-61.6-57.9000121
60P32.2Very low24.6Very low117 Ų117146.1 Ų146.176%0.7679%0.792SS**  -131.7166.6-56.537.9-23.8000112.7
61R25.5Very low24.7Very low245 Ų245140.7 Ų140.793%0.92578%0.782SS**  trans-141.8124.7163-154.6172.1-168.41703.8111.8
62S28.1Very low25Very low102 Ų102142.8 Ų142.871%0.71378%0.784SS**  trans-51.9130.1174.148.60000111.8
63E22.9Very low25Very low181 Ų181142.8 Ų142.885%0.84678%0.778SS**  5790.877-72.2-163.7164.700114.2
64F27.5Very low25.5Very low215 Ų215144.7 Ų144.794%0.94378%0.78SS**  trans-153.3116.5142.7-106.3-76.1000110
65G25.4Very low25.7Very low77 Ų77145 Ų14579%0.79477%0.772SS**  trans53.478151.300000120.4
66K24Very low25.9Very low215 Ų215147.3 Ų147.394%0.93577%0.769SS**  trans-98.7109.1146.6-86.4-172175.5-178.40109.4S68K66-S68 PolarHBondContact O-N 2.93Å
67M23.2Very low26.2Very low184 Ų184154.4 Ų154.491%0.90678%0.782SS**  trans-79.2110.4171.1-80.4168.760.300110.7
68S24.7Very low26.4Very low92 Ų92156.7 Ų156.764%0.64378%0.781SS**  trans3490.4139.5179.10000117.6K66K66-S68 PolarHBondContact O-N 2.93Å
69S28Very low26.9Very low117 Ų117153.7 Ų153.782%0.81878%0.777SS**  trans-103112139.5-64.40000106.5D71S69-D71 PolarHBondContact O-N 3.34Å
70N27Very low27.3Very low143 Ų143153.1 Ų153.177%0.76578%0.782SS**  trans-73.3110.7-176.4-89.7-17.3000110.7N72N70-N72 PolarHBondContact O-N 2.88Å
71D24.7Very low27.3Very low133 Ų133155 Ų15571%0.71178%0.781SS**  trans-64.3114.7161.4-76.1-53.1000109.8S69S69-D71 PolarHBondContact O-N 3.34Å
72N27.5Very low27.7Very low148 Ų148148.1 Ų148.179%0.79177%0.77SS**  trans-112.169.4159.8-91.4-25.1000109.5N70 I74N70-N72 PolarHBondContact O-N 2.88Å; N72-I74 PolarHBondContact O-N 3.42Å
73F25.5Very low27.9Very low164 Ų164150.2 Ų150.272%0.71977%0.772SS**  trans-67.494.3163.8-98.5-89.3000109.9
74I30.6Very low28.3Very low128 Ų128150.6 Ų150.666%0.65677%0.771SS**  trans-114.872.5159.1-48.8-175.8000108.7N72 F76N72-I74 PolarHBondContact O-N 3.42Å; I74-F76 VanDerWaalsContact C-N 3.32Å; I74-F76 HydrophobicContact CG2-CD2 3.56Å; I74-F76 HydrophobicContact CG2-CE2 3.83Å; I74-F76 PolarHBondContact O-N 2.94Å
75N27.8Very low28.8Very low125 Ų125146.7 Ų146.767%0.66877%0.765SS**  trans-69.992.6164.2-93.4-44.7000108.7R77N75-R77 PolarHBondContact O-N 3.41Å
76F26.9Very low29.4Very low157 Ų157149.1 Ų149.169%0.68976%0.759SS**  trans-64.677.4171.5-110.5-84.9000110.8I74 Q78I74-F76 VanDerWaalsContact C-N 3.32Å; I74-F76 HydrophobicContact CG2-CD2 3.56Å; I74-F76 HydrophobicContact CG2-CE2 3.83Å; I74-F76 PolarHBondContact O-N 2.94Å; F76-Q78 HydrophobicContact CD1-CB 4.35Å; F76-Q78 HydrophobicContact CD1-CG 3.94Å; F76-Q78 HydrophobicContact CE1-CG 4.18Å; F76-Q78 PolarHBondContact O-N 2.93Å
77R27.7Very low30.3Very low241 Ų241145.2 Ų145.291%0.90975%0.754SS**  trans-78.362.7163-75-169.2176.8-174.81.3110N75N75-R77 PolarHBondContact O-N 3.41Å
78Q29.9Very low31.3Very low148 Ų148142.2 Ų142.269%0.69274%0.74SS**  trans-85111.9162.2-84.7-171.9-8.800109.6F76F76-Q78 HydrophobicContact CD1-CB 4.35Å; F76-Q78 HydrophobicContact CD1-CG 3.94Å; F76-Q78 HydrophobicContact CE1-CG 4.18Å; F76-Q78 PolarHBondContact O-N 2.93Å
79S32.7Very low32.3Very low89 Ų89145 Ų14562%0.62275%0.748SS**  trans31.1104.8155.255.60000117.5Q81S79-Q81 PolarHBondContact O-N 3.17Å
80Q31.4Very low33.1Very low194 Ų194145.5 Ų145.591%0.90774%0.741SS**  trans-64.972.3152.5-69.1178.9-16.900110.2S82Q80-S82 PolarHBondContact O-N 3.47Å
81Q32Very low34.3Very low158 Ų158147.6 Ų147.674%0.73874%0.744SS**  trans-78.774.4157.1-76.5-171.8-1.300107.9S79 L83S79-Q81 PolarHBondContact O-N 3.17Å; Q81-L83 PolarHBondContact O-N 2.94Å
82S33.3Very low35.3Very low100 Ų100148.3 Ų148.370%0.69975%0.747SS**  trans-65.890.2159.246.80000107.4Q80 K84Q80-S82 PolarHBondContact O-N 3.47Å; S82-K84 PolarHBondContact O-N 3.37Å
83L33.7Very low37.1Very low146 Ų146147.1 Ų147.176%0.76475%0.745SS**  trans-56107.4167.1-74.2172.8000107Q81 V85Q81-L83 PolarHBondContact O-N 2.94Å; L83-V85 PolarHBondContact O-N 3.08Å
84K30.6Very low38.2Very low188 Ų188146.4 Ų146.482%0.81775%0.749SS**  trans-62.490.4168.6-77.9-178.6175177.90107.2S82 N86S82-K84 PolarHBondContact O-N 3.37Å; K84-N86 PolarHBondContact O-N 3.22Å
85V38.8Very low38.9Very low134 Ų134144.7 Ų144.781%0.81275%0.747SS**  trans-63.5104.8164.5-179.60000105.4L83 T87L83-V85 PolarHBondContact O-N 3.08Å; V85-T87 PolarHBondContact O-N 2.82Å
86N38.3Very low40.4Very low127 Ų127148 Ų14868%0.67976%0.758SS**  trans-53.6138.1-178.2-75.2-31.9000109.8K84 I88K84-N86 PolarHBondContact O-N 3.22Å; N86-I88 PolarHBondContact O-N 3.09Å
87T41.8Very low41.5Very low134 Ų134148.4 Ų148.482%0.82277%0.767SS**  trans-68.670-174.7-42.80000112V85V85-T87 PolarHBondContact O-N 2.82Å
88I44.9Very low42.8Very low120 Ų120144.2 Ų144.262%0.61576%0.757SS**  trans-88121166.1-51.8178.9000105.7N86 N90N86-I88 PolarHBondContact O-N 3.09Å; I88-N90 HydrophobicContact CG2-CB 4.26Å; I88-N90 VanDerWaalsContact CG2-CG 3.5Å; I88-N90 WeakPolarHBondContact CG2-OD1 3.35Å; I88-N90 PolarHBondContact O-N 3.03Å
89N44.8Very low43.7Very low151 Ų151144.9 Ų144.981%0.80777%0.765SS**  trans-70.233.2-178.4-70-31.7000113.6K91N89-K91 VanDerWaalsContact C-N 3.31Å; N89-K91 PolarHBondContact O-N 3.33Å
90N45.8Very low44.4Very low127 Ų127148.2 Ų148.268%0.67977%0.771SS**  trans-74.388.6174.1-73.1-3.5000108.5I88 L92I88-N90 HydrophobicContact CG2-CB 4.26Å; I88-N90 VanDerWaalsContact CG2-CG 3.5Å; I88-N90 WeakPolarHBondContact CG2-OD1 3.35Å; I88-N90 PolarHBondContact O-N 3.03Å; N90-L92 PolarHBondContact O-N 3.34Å
91K51.7Low44.9Very low188 Ų188145 Ų14582%0.81777%0.769SS**  trans-41.7108.7164.8-165.3176.7-171.41780108.6N89 T93N89-K91 VanDerWaalsContact C-N 3.31Å; N89-K91 PolarHBondContact O-N 3.33Å; K91-T93 PolarHBondContact O-N 3.33Å
92L46.1Very low45.7Very low148 Ų148143.1 Ų143.178%0.77577%0.773SS**  trans-59.2104.9-179.6-74.6160.9000108.8N90N90-L92 PolarHBondContact O-N 3.34Å
93T64.7Low46.6Very low123 Ų123144.1 Ų144.176%0.75578%0.775SS**  trans-86-35.6-177.544.90000112.4K91K91-T93 PolarHBondContact O-N 3.33Å
94N49.5Very low47.2Very low149 Ų149146.8 Ų146.880%0.79778%0.783SS**  trans-123.489.8-175.9-71.8-16000110.6
95C45.5Very low47.6Very low92 Ų92144.4 Ų144.462%0.62278%0.777SS**  trans-90.9109.2168.3-64.40000109.6L97C95-L97 PolarHBondContact O-N 3.49Å
96Q57.4Low47.8Very low193 Ų193146.7 Ų146.790%0.90278%0.778SS**  trans-83110165.1-83.5-178.5-84.600109.4
97L50.3Low47.9Very low166 Ų166148.2 Ų148.287%0.86979%0.787SS**  trans-83.6110.7167.3-71.6167000108.6C95C95-L97 PolarHBondContact O-N 3.49Å
98Q54.9Low48.2Very low153 Ų153147.9 Ų147.972%0.71578%0.779SS**  trans-99.8113.6171-178.4157.8-35.600108.1E100Q98-E100 HydrophobicContact CG-CG 4.27Å; Q98-E100 PolarHBondContact NE2-OE1 3.23Å
99L49Very low48Very low163 Ų163148.9 Ų148.985%0.85379%0.785SS**  trans-93.8113.7174.3-70168.1000108.4
100E47.3Very low48.1Very low158 Ų158149.2 Ų149.274%0.73879%0.787SS**  trans-107.5110.3171.2-75.5176.5-174.700108.8Q98Q98-E100 HydrophobicContact CG-CG 4.27Å; Q98-E100 PolarHBondContact NE2-OE1 3.23Å
101C42.2Very low47.7Very low128 Ų128152.5 Ų152.587%0.86580%0.795SS**  trans-100.2119.7171.2-60.40000108.5
102S49.1Very low47.1Very low118 Ų118152.6 Ų152.683%0.82580%0.799SS**  trans-109145.9166.650.20000109.7
103T53.2Low46.7Very low121 Ų121152.3 Ų152.374%0.74280%0.795SS**  trans-133.4124.3175.3560000108.6
104E44.9Very low45.3Very low202 Ų202151.6 Ų151.694%0.94480%0.795SS**  trans-78.7119.2170.2-66.6176.7167.700108.3
105M40.2Very low44.6Very low137 Ų137152.4 Ų152.468%0.67580%0.798SS**  trans-105.997172.2-78-169.667.400109.7
106E42.9Very low43.8Very low182 Ų182155.3 Ų155.385%0.8580%0.804SS**  trans-79.3145.5155-82.4-168.7135.200110.1I108E106-I108 PolarHBondContact O-N 3.1Å
107N39.7Very low42.6Very low160 Ų160154 Ų15486%0.85680%0.803SS**  trans-24.8112.6-173.3-71.6-48.6000116.9
108I47.8Very low41.6Very low127 Ų127154.8 Ų154.865%0.65180%0.8SS**  trans-108.5112.5159.3-64.4178.2000108.4E106 N110E106-I108 PolarHBondContact O-N 3.1Å; I108-N110 PolarHBondContact O-N 3.22Å
109D42.1Very low40.6Very low140 Ų140150.4 Ų150.475%0.74979%0.786SS**  trans-67.595.9-179.5-83-51.3000113.1K111D109-K111 VanDerWaalsContact C-N 3.26Å; D109-K111 PolarHBondContact O-N 3.1Å
110N45.9Very low40Very low159 Ų159148.2 Ų148.285%0.8578%0.78SS**SBendtrans47.414133-75.6-29.2000121.8I108I108-N110 PolarHBondContact O-N 3.22Å
111K37.9Very low39.7Very low195 Ų195146.6 Ų146.685%0.84878%0.781SS**SBendtrans-131.4115.5166.8-82.4-178176.51720111.7D109D109-K111 VanDerWaalsContact C-N 3.26Å; D109-K111 PolarHBondContact O-N 3.1Å
112Q38Very low39.5Very low190 Ų190148.8 Ų148.889%0.88878%0.778SS**SBendtrans81.960.8175-53.8-176.6-6.700117.6
113M38Very low39.1Very low143 Ų143149.2 Ų149.270%0.70477%0.77SS**  trans-129.666.2138-91.6-167.2-72.700110.1
114S36.6Very low38.4Very low108 Ų108148.3 Ų148.376%0.75576%0.764SS**  trans-63.4134.116051.50000108.7
115I34.5Very low38Very low165 Ų165141.7 Ų141.785%0.84675%0.75SS**SBendtrans76.874.1-165.4-42.6160.4000112.2
116M28.9Very low38.1Very low153 Ų153145.9 Ų145.975%0.75476%0.758SS**  trans-168.583.2137.3-92.2-104.4-85.600109.8F118M116-F118 PolarHBondContact O-N 3.26Å
117N31Very low38.4Very low167 Ų167144.4 Ų144.489%0.89375%0.754SS**  trans-80.891.9163.5-78.9-7.9000108.8
118F30.6Very low38.7Very low182 Ų182147.6 Ų147.680%0.79876%0.755SS**  trans-156.8150145.8-140.3-104.4000116.2M116M116-F118 PolarHBondContact O-N 3.26Å
119S32.1Very low38.7Very low60 Ų60147.8 Ų147.842%0.4276%0.756SS.*  trans-54.6149.2-178.3165.70000116.2
120T37.3Very low39Very low118 Ų118146.8 Ų146.872%0.72476%0.757SS**SBendtrans-0.3144.6131.912.10000119
121T39.9Very low39.3Very low124 Ų124145.4 Ų145.476%0.76175%0.753SS**SBendtrans77.296.1176.471.30000115.9
122H38.6Very low39.8Very low174 Ų174147.4 Ų147.481%0.80676%0.756SS**  trans36.381.6166.6-64.8-79.7000116.5T124H122-T124 HydrophobicContact CB-CG2 4.49Å; H122-T124 PolarHBondContact O-N 3.31Å
123I40.5Very low40.4Very low126 Ų126143.9 Ų143.965%0.64675%0.752SS**  trans-71.767.4167.3-49.6180000109.8G125I123-G125 VanDerWaalsContact C-N 3.31Å; I123-G125 PolarHBondContact O-N 2.99Å; I123-G125 VanDerWaalsContact O-N 3.11Å
124T39.9Very low40.9Very low103 Ų103140.2 Ų140.263%0.63275%0.751SS**  trans-80.283.2167.552.50000108.2H122 R126H122-T124 HydrophobicContact CB-CG2 4.49Å; H122-T124 PolarHBondContact O-N 3.31Å; T124-R126 PolarHBondContact O-N 2.71Å
125G36.1Very low41.6Very low62 Ų62147 Ų14764%0.63976%0.76SS**  trans-61.792.3175.800000111.2I123 I127I123-G125 VanDerWaalsContact C-N 3.31Å; I123-G125 PolarHBondContact O-N 2.99Å; I123-G125 VanDerWaalsContact O-N 3.11Å; G125-I127 VanDerWaalsContact C-N 3.3Å; G125-I127 PolarHBondContact O-N 3.37Å
126R42.8Very low42.2Very low226 Ų226142 Ų14285%0.85375%0.749SS**  trans-71.882.9177-70.6-170.8179.9-166-0.1110.7T124 R128T124-R126 PolarHBondContact O-N 2.71Å; R126-R128 PolarHBondContact O-N 3.09Å
127I48.4Very low44Very low150 Ų150140.6 Ų140.677%0.76975%0.752SS**  trans-63.3101.2169-59.9177.2000108.1G125 I129G125-I127 VanDerWaalsContact C-N 3.3Å; G125-I127 PolarHBondContact O-N 3.37Å; I127-I129 HydrophobicContact CG2-CG1 4.03Å; I127-I129 PolarHBondContact O-N 3.34Å
128R45.4Very low45.6Very low228 Ų228137.2 Ų137.286%0.8675%0.747SS**  trans-77.5103.2169.1-72.1-177.2175.7175-0.6108.4R126 P130R126-R128 PolarHBondContact O-N 3.09Å; R128-P130 WeakPolarHBondContact O-CD 3.48Å
129I49.3Very low46.9Very low131 Ų131131.4 Ų131.467%0.67274%0.738SS**  trans-82110.2166.3-56.3177.8000107.5I127 V131I127-I129 HydrophobicContact CG2-CG1 4.03Å; I127-I129 PolarHBondContact O-N 3.34Å; I129-V131 PolarHBondContact O-N 2.77Å
130P46.5Very low48.8Very low119 Ų119134.4 Ų134.477%0.77376%0.756SS**  trans-74.192.4174.131.1-33.7000109.1R128 R132R128-P130 WeakPolarHBondContact O-CD 3.48Å; P130-R132 VanDerWaalsContact C-N 3.29Å; P130-R132 PolarHBondContact O-N 3.33Å
131V54Low50.6Low129 Ų129134.7 Ų134.778%0.78276%0.76SS**  trans-7190.3170.9-143.40000107.9I129 S133I129-V131 PolarHBondContact O-N 2.77Å; V131-S133 PolarHBondContact O-N 3.29Å
132R47.9Very low51.9Low237 Ų237131.7 Ų131.789%0.89475%0.754SS**  trans-62.3111.1176.3-175.8179.1-172171.53.5108P130 G134P130-R132 VanDerWaalsContact C-N 3.29Å; P130-R132 PolarHBondContact O-N 3.33Å; R132-G134 PolarHBondContact O-N 3.09Å
133S49.5Very low53.9Low116 Ų116129.6 Ų129.681%0.81176%0.756SS**  trans-51.9109.1176.1-500000109.7V131 R135V131-S133 PolarHBondContact O-N 3.29Å; S133-R135 PolarHBondContact O-N 3.33Å
134G48.6Very low55.9Low66 Ų66132.2 Ų132.268%0.6877%0.765SS**  trans-57.2137.3177.200000109.8R132 G136R132-G134 PolarHBondContact O-N 3.09Å; G134-G136 PolarHBondContact O-N 2.77Å
135R51.3Low57.5Low250 Ų250129.7 Ų129.794%0.94376%0.76SS**  trans-44.5132.7171.1-171.8179.3-170.2175.52.4108.7S133S133-R135 PolarHBondContact O-N 3.33Å
136G48Very low59.8Low60 Ų60132.5 Ų132.562%0.61977%0.767SS**PPolyproline II helixtrans-46.4138.9-176.100000111.3G134G134-G136 PolarHBondContact O-N 2.77Å
137P66Low61.8Low125 Ų125127.2 Ų127.281%0.81276%0.762SS**PPolyproline II helixtrans-55.5147.2-167.923.6-34.4000110.7G139P137-G139 PolarHBondContact O-N 3.01Å
138A64.4Low63.3Low95 Ų95122.9 Ų122.979%0.78575%0.754SS**PPolyproline II helixtrans-50141.8169.700000109.3
139G57.4Low65.2Low60 Ų60118.1 Ų118.162%0.61975%0.753SS**PPolyproline II helixtrans-49.9147.1179.700000110.8P137P137-G139 PolarHBondContact O-N 3.01Å
140P73.2Confident66.9Low123 Ų123120.5 Ų120.580%0.79976%0.761SS**PPolyproline II helixtrans-51.4131.3-170.821.9-33.5000109.6G142P140-G142 PolarHBondContact O-N 3.48Å
141P75.2Confident68.5Low124 Ų124117.7 Ų117.781%0.80575%0.754SS**PPolyproline II helixtrans-47.5137171.5-28.235.4000109.6
142G66.8Low70Confident61 Ų61116.4 Ų116.463%0.62976%0.757SS**PPolyproline II helixtrans-51149.5-18000000110.8P140 Q144P140-G142 PolarHBondContact O-N 3.48Å; G142-Q144 PolarHBondContact O-N 3.07Å; G142-Q144 VanDerWaalsContact O-N 3.17Å
143P81.2Confident71.9Confident131 Ų131115.6 Ų115.685%0.85175%0.754SS**PPolyproline II helixtrans-50.6128.8-174.722.7-34000109.4G145P143-G145 PolarHBondContact O-N 3.4Å
144Q81.7Confident73.2Confident180 Ų180113 Ų11384%0.84175%0.745SS**PPolyproline II helixtrans-51.1127.9178.6-172.3178.49.500108G142G142-Q144 PolarHBondContact O-N 3.07Å; G142-Q144 VanDerWaalsContact O-N 3.17Å
145G73.4Confident75Confident50 Ų50119.7 Ų119.752%0.51576%0.756SS.*PPolyproline II helixtrans-51.2147.3173.800000109.7P143P143-G145 PolarHBondContact O-N 3.4Å
146P84Confident76.8Confident121 Ų121118.9 Ų118.979%0.78675%0.753SS**PPolyproline II helixtrans-49.7133.8-175.121.9-33.7000109.4G148P146-G148 PolarHBondContact O-N 3.38Å
147P84.7Confident78.4Confident115 Ų115118.4 Ų118.475%0.74775%0.748SS**PPolyproline II helixtrans-47.9128.9179.3-29.435.2000110
148G80.6Confident79.3Confident60 Ų60118.3 Ų118.362%0.61975%0.747SS**PPolyproline II helixtrans-51.8146175.900000109.7P146 Q150P146-G148 PolarHBondContact O-N 3.38Å; G148-Q150 PolarHBondContact O-N 3.12Å
149P86.4Confident80.3Confident127 Ų127119.5 Ų119.583%0.82575%0.747SS**PPolyproline II helixtrans-51.1130.5-175.422.6-33.9000109.4G151P149-G151 PolarHBondContact O-N 3.3Å
150Q85.2Confident81.1Confident181 Ų181120 Ų12085%0.84675%0.753SS**PPolyproline II helixtrans-51.3118.2-176.8179.6177.6-8.300108.8G148 A152G148-Q150 PolarHBondContact O-N 3.12Å; Q150-A152 PolarHBondContact O-N 3.05Å
151G79.2Confident81.5Confident61 Ų61123 Ų12363%0.62976%0.756SS**PPolyproline II helixtrans-51.3137.717900000109.8P149 R153P149-G151 PolarHBondContact O-N 3.3Å; G151-R153 PolarHBondContact O-N 2.76Å
152A85.7Confident81.5Confident102 Ų102122.9 Ų122.984%0.84376%0.755SS**PPolyproline II helixtrans-47.1127-174.100000110.1Q150 G154Q150-A152 PolarHBondContact O-N 3.05Å; A152-G154 PolarHBondContact O-N 2.7Å
153R87.3Confident81.4Confident220 Ų220123.6 Ų123.683%0.8376%0.762SS**PPolyproline II helixtrans-51.2116.4-176.6-179.4-176.6-175.6169.65.9108.6G151 F155G151-R153 PolarHBondContact O-N 2.76Å; R153-F155 PolarHBondContact O-N 3Å
154G77.4Confident80.8Confident61 Ų61121.8 Ų121.863%0.62975%0.753SS**PPolyproline II helixtrans-50.6135.8177.500000110.2A152 R156A152-G154 PolarHBondContact O-N 2.7Å; G154-R156 PolarHBondContact O-N 2.77Å
155F86.3Confident79.6Confident207 Ų207121 Ų12191%0.90875%0.753SS**PPolyproline II helixtrans-52.7137.2-179.9-64.1-74000109.7R153 G157R153-F155 PolarHBondContact O-N 3Å; F155-G157 PolarHBondContact O-N 3.32Å; F155-G157 VanDerWaalsContact O-N 3.13Å
156R88.5Confident79Confident232 Ų232125.9 Ų125.988%0.87576%0.763SS**PPolyproline II helixtrans-55123.7172.6176.2-176.5-81.7172.4-6.7106.9G154G154-R156 PolarHBondContact O-N 2.77Å
157G81.1Confident77.9Confident51 Ų51126.3 Ų126.353%0.52676%0.759SS.*PPolyproline II helixtrans-53.4148.617500000110.5F155F155-G157 PolarHBondContact O-N 3.32Å; F155-G157 VanDerWaalsContact O-N 3.13Å
158P86.3Confident76.9Confident122 Ų122127.8 Ų127.879%0.79276%0.759SS**PPolyproline II helixtrans-54.2144179.424.3-33.7000109.8G160P158-G160 PolarHBondContact O-N 3.45Å
159P84.5Confident76.2Confident120 Ų120131.4 Ų131.478%0.77976%0.764SS**PPolyproline II helixtrans-50.2137170-24.734.4000109.9E161P159-E161 PolarHBondContact O-N 3.29Å
160G75.3Confident75.6Confident71 Ų71128.4 Ų128.473%0.73274%0.741SS**PPolyproline II helixtrans-56.9141.1173.900000109.9P158P158-G160 PolarHBondContact O-N 3.45Å
161E80.1Confident75.3Confident186 Ų186123.3 Ų123.387%0.86972%0.722SS**PPolyproline II helixtrans-56.1136.3179.5-66.5-169.1153.500110P159 G163P159-E161 PolarHBondContact O-N 3.29Å; E161-G163 PolarHBondContact O-N 2.94Å
162P76.8Confident75.3Confident121 Ų121129.5 Ų129.579%0.78673%0.732SS**PPolyproline II helixtrans-52.5129.3173.5-25.734.5000109.7S164P162-S164 PolarHBondContact O-N 2.94Å
163G63.7Low75Confident76 Ų76130.5 Ų130.578%0.78472%0.722SS**  trans-52.9114178.700000109.3E161 L165E161-G163 PolarHBondContact O-N 2.94Å; G163-L165 VanDerWaalsContact C-N 3.31Å; G163-L165 PolarHBondContact O-N 3.05Å
164S68Low74.9Confident93 Ų93124.5 Ų124.565%0.6570%0.704SS**  trans-71.292.9-175.9-163.90000108.6P162 Q166P162-S164 PolarHBondContact O-N 2.94Å; S164-Q166 PolarHBondContact O-N 3.17Å; S164-Q166 VanDerWaalsContact OG-CG 3.24Å; S164-Q166 WeakPolarHBondContact OG-CG 3.25Å
165L57Low75.2Confident163 Ų163125.9 Ų125.985%0.85370%0.696SS**  trans-60.881.9143.1-69.8174000105.5G163 D167G163-L165 VanDerWaalsContact C-N 3.31Å; G163-L165 PolarHBondContact O-N 3.05Å; L165-D167 VanDerWaalsContact C-N 3.3Å; L165-D167 PolarHBondContact O-N 2.88Å
166Q60Low74.9Confident154 Ų154118.9 Ų118.972%0.7267%0.673SS**  trans-59.3106.2162.2-68.7-177.7-6.400104.4S164 I168S164-Q166 PolarHBondContact O-N 3.17Å; S164-Q166 VanDerWaalsContact OG-CG 3.24Å; S164-Q166 WeakPolarHBondContact OG-CG 3.25Å; Q166-I168 PolarHBondContact O-N 3.13Å
167D62Low74.6Confident129 Ų129116.2 Ų116.269%0.6966%0.663SS**  trans-44.3116.3161.3-67.6-47.4000105.5L165 N169L165-D167 VanDerWaalsContact C-N 3.3Å; L165-D167 PolarHBondContact O-N 2.88Å; D167-N169 PolarHBondContact O-N 2.87Å
168I63.6Low74.7Confident146 Ų146117.6 Ų117.675%0.74966%0.658SS**  trans-74.475.8-176.1-49.2178.9000106.3Q166 L170Q166-I168 PolarHBondContact O-N 3.13Å; I168-L170 HydrophobicContact CG2-CD2 3.76Å; I168-L170 HydrophobicContact CG2-CG 3.86Å; I168-L170 PolarHBondContact O-N 3.05Å
169N66.6Low74.5Confident137 Ų137115.9 Ų115.973%0.73364%0.642SS**  trans-71.469.4173.9-77.6-40.7000107.1D167 T171D167-N169 PolarHBondContact O-N 2.87Å; N169-T171 PolarHBondContact O-N 2.82Å
170L72.6Confident74.1Confident63 Ų63113.5 Ų113.533%0.3362%0.623SS.*  trans-53116.4167.4-66.8177.7000106.4I168 Q174 L175I168-L170 HydrophobicContact CG2-CD2 3.76Å; I168-L170 HydrophobicContact CG2-CG 3.86Å; I168-L170 PolarHBondContact O-N 3.05Å; L170-Q174 HydrophobicContact CB-CB 4.1Å; L170-Q174 HydrophobicContact CD2-CB 4.1Å; L170-L175 HydrophobicContact CB-CD1 4.43Å; L170-L175 HydrophobicContact CB-CD2 3.85Å; L170-L175 HydrophobicContact CB-CG 3.7Å; L170-L175 HydrophobicContact CD1-CD2 3.66Å; L170-L175 HydrophobicContact CD1-CG 4.39Å; L170-L175 HydrophobicContact CG-CD2 4.4Å
171T78.5Confident74.2Confident75 Ų75115.9 Ų115.946%0.4662%0.615SS.*  trans-52.6151.5172.858.30000109.2N169 L173 Q174 L175N169-T171 PolarHBondContact O-N 2.82Å; T171-L173 PolarHBondContact O-N 2.95Å; T171-Q174 WeakPolarHBondContact O-CA 3.36Å; T171-Q174 PolarHBondContact O-N 2.81Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.37Å; T171-Q174 PolarHBondContact OG1-N 2.91Å; T171-Q174 PolarHBondContact OG1-OE1 3.25Å; T171-L175 PolarHBondContact O-N 3.4Å
172K80Confident74.1Confident190 Ų190110.8 Ų110.883%0.82659%0.593SS**Hα-helixtrans-51-30.8176.8-67.4-177.3178.3-179.90112.4S176K172-S176 VanDerWaalsContact O-CB 3.25Å; K172-S176 WeakPolarHBondContact O-CB 3.27Å; K172-S176 PolarHBondContact O-N 3.38Å
173L79.1Confident73.8Confident123 Ų123109 Ų10964%0.64457%0.574SS**Hα-helixtrans-68.4-43.3173.2-67.8172.7000113.5T171 S176 R177T171-L173 PolarHBondContact O-N 2.95Å; L173-S176 PolarHBondContact O-N 3.47Å; L173-R177 WeakPolarHBondContact O-CB 3.22Å; L173-R177 VanDerWaalsContact O-CG 3.31Å; L173-R177 WeakPolarHBondContact O-CG 3.33Å; L173-R177 PolarHBondContact O-N 2.83Å
174Q85.6Confident74Confident94 Ų94108.7 Ų108.744%0.43956%0.557SS.*Hα-helixtrans-65.4-43.2174.8-75.3161-5200111.6L170 T171 R177 L178L170-Q174 HydrophobicContact CB-CB 4.1Å; L170-Q174 HydrophobicContact CD2-CB 4.1Å; T171-Q174 WeakPolarHBondContact O-CA 3.36Å; T171-Q174 PolarHBondContact O-N 2.81Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.37Å; T171-Q174 PolarHBondContact OG1-N 2.91Å; T171-Q174 PolarHBondContact OG1-OE1 3.25Å; Q174-R177 PolarHBondContact O-N 2.84Å; Q174-L178 WeakPolarHBondContact O-CB 3.24Å; Q174-L178 PolarHBondContact O-N 2.92Å
175L82.8Confident74.1Confident90 Ų90108.9 Ų108.947%0.47155%0.55SS..Hα-helixtrans-60.7-45.3174.2-72170.7000111.8L170 T171 L178 N179L170-L175 HydrophobicContact CB-CD1 4.43Å; L170-L175 HydrophobicContact CB-CD2 3.85Å; L170-L175 HydrophobicContact CB-CG 3.7Å; L170-L175 HydrophobicContact CD1-CD2 3.66Å; L170-L175 HydrophobicContact CD1-CG 4.39Å; L170-L175 HydrophobicContact CG-CD2 4.4Å; T171-L175 PolarHBondContact O-N 3.4Å; L175-L178 PolarHBondContact O-N 2.67Å; L175-N179 VanDerWaalsContact O-CB 3.31Å; L175-N179 WeakPolarHBondContact O-CB 3.5Å; L175-N179 PolarHBondContact O-N 2.89Å
176S80.9Confident75Confident61 Ų61107.6 Ų107.643%0.42754%0.54SS..Hα-helixtrans-63-44.5177.1173.40000112.3K172 L173 N179 N180K172-S176 VanDerWaalsContact O-CB 3.25Å; K172-S176 WeakPolarHBondContact O-CB 3.27Å; K172-S176 PolarHBondContact O-N 3.38Å; L173-S176 PolarHBondContact O-N 3.47Å; S176-N179 PolarHBondContact O-N 2.8Å; S176-N180 VanDerWaalsContact O-CG 3.27Å; S176-N180 PolarHBondContact O-N 2.91Å; S176-N180 PolarHBondContact O-OD1 2.81Å
177R82Confident76.2Confident175 Ų175102.5 Ų102.566%0.6652%0.517SS*.Hα-helixtrans-61.1-46175.8-75.5174.9179.3176.7-0112L173 Q174 N180 Q181L173-R177 WeakPolarHBondContact O-CB 3.22Å; L173-R177 VanDerWaalsContact O-CG 3.31Å; L173-R177 WeakPolarHBondContact O-CG 3.33Å; L173-R177 PolarHBondContact O-N 2.83Å; Q174-R177 PolarHBondContact O-N 2.84Å; R177-N180 PolarHBondContact O-N 3.17Å; R177-Q181 WeakPolarHBondContact O-CG 3.38Å; R177-Q181 PolarHBondContact O-N 2.78Å
178L84.2Confident77.6Confident81 Ų81104.1 Ų104.142%0.42451%0.514SS..Hα-helixtrans-63-42.3177.4-17961.3000111.4Q174 L175 N180 Q181 L182Q174-L178 WeakPolarHBondContact O-CB 3.24Å; Q174-L178 PolarHBondContact O-N 2.92Å; L175-L178 PolarHBondContact O-N 2.67Å; L178-N180 PolarHBondContact O-N 2.87Å; L178-Q181 PolarHBondContact O-N 2.98Å; L178-L182 HydrophobicContact CG-CD1 4.27Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 3.02Å
179N81.1Confident79.2Confident85 Ų8597.7 Ų97.746%0.45548%0.481SS..Hα-helixtrans-64.6-40.3178-166.260.1000112.1L175 S176 L182 Q183L175-N179 VanDerWaalsContact O-CB 3.31Å; L175-N179 WeakPolarHBondContact O-CB 3.5Å; L175-N179 PolarHBondContact O-N 2.89Å; S176-N179 PolarHBondContact O-N 2.8Å; N179-L182 PolarHBondContact O-N 2.91Å; N179-Q183 WeakPolarHBondContact O-CG 3.47Å; N179-Q183 PolarHBondContact O-N 3.18Å
180N75.7Confident80.7Confident71 Ų7192.7 Ų92.738%0.3846%0.459SS..Hα-helixtrans-64.6-39.9174.1-67.89.3000111.6S176 R177 L178 L182 Q183 T184S176-N180 VanDerWaalsContact O-CG 3.27Å; S176-N180 PolarHBondContact O-N 2.91Å; S176-N180 PolarHBondContact O-OD1 2.81Å; R177-N180 PolarHBondContact O-N 3.17Å; L178-N180 PolarHBondContact O-N 2.87Å; N180-L182 VanDerWaalsContact C-N 3.33Å; N180-L182 PolarHBondContact O-N 2.72Å; N180-Q183 PolarHBondContact O-N 3.43Å; N180-T184 PolarHBondContact O-N 2.82Å; N180-T184 VanDerWaalsContact O-N 3.1Å
181Q77.9Confident82Confident121 Ų12190.1 Ų90.157%0.56545%0.445SS*.Hα-helixtrans-64.9-34.9173.3-72.6178.2-49.400112.5R177 L178 T184 I185R177-Q181 WeakPolarHBondContact O-CG 3.38Å; R177-Q181 PolarHBondContact O-N 2.78Å; L178-Q181 PolarHBondContact O-N 2.98Å; Q181-T184 PolarHBondContact O-OG1 2.88Å; Q181-T184 VanDerWaalsContact O-OG1 3.1Å; Q181-I185 WeakPolarHBondContact O-CD1 3.37Å; Q181-I185 VanDerWaalsContact O-CG1 3.26Å; Q181-I185 WeakPolarHBondContact O-CG1 3.48Å; Q181-I185 PolarHBondContact O-N 3.34Å
182L77.6Confident83Confident79 Ų7990.2 Ų90.241%0.41444%0.439SS..Hα-helixtrans-68.7-36.8173.4-71.3170.5000111.7L178 N179 N180 I185 Q186L178-L182 HydrophobicContact CG-CD1 4.27Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 3.02Å; N179-L182 PolarHBondContact O-N 2.91Å; N180-L182 VanDerWaalsContact C-N 3.33Å; N180-L182 PolarHBondContact O-N 2.72Å; L182-I185 PolarHBondContact O-N 2.89Å; L182-Q186 VanDerWaalsContact O-CG 3.26Å; L182-Q186 WeakPolarHBondContact O-CG 3.41Å; L182-Q186 PolarHBondContact O-N 2.99Å; L182-Q186 VanDerWaalsContact O-N 3.09Å
183Q70.4Confident83.9Confident82 Ų8281.2 Ų81.238%0.38340%0.4SS..Hα-helixtrans-65.3-43.2176.5-75.2176-10.700112.5N179 N180 I185 Q186 N187N179-Q183 WeakPolarHBondContact O-CG 3.47Å; N179-Q183 PolarHBondContact O-N 3.18Å; N180-Q183 PolarHBondContact O-N 3.43Å; Q183-I185 VanDerWaalsContact C-N 3.26Å; Q183-I185 PolarHBondContact O-N 3.22Å; Q183-Q186 WeakPolarHBondContact O-CB 3.05Å; Q183-Q186 PolarHBondContact O-N 3.44Å; Q183-N187 PolarHBondContact O-N 3.01Å
184T68.3Low84.8Confident70 Ų7075.3 Ų75.343%0.42937%0.369SS..Hα-helixtrans-64.8-31175.758.60000112.5N180 Q181 Q186N180-T184 PolarHBondContact O-N 2.82Å; N180-T184 VanDerWaalsContact O-N 3.1Å; Q181-T184 PolarHBondContact O-OG1 2.88Å; Q181-T184 VanDerWaalsContact O-OG1 3.1Å; T184-Q186 VanDerWaalsContact C-N 3.31Å
185I70.2Confident85.4Confident97 Ų9771.3 Ų71.350%0.49735%0.351SS..Hα-helixtrans-72-23.5173.1-67.1166.9000112.7Q181 L182 Q183 R188Q181-I185 WeakPolarHBondContact O-CD1 3.37Å; Q181-I185 VanDerWaalsContact O-CG1 3.26Å; Q181-I185 WeakPolarHBondContact O-CG1 3.48Å; Q181-I185 PolarHBondContact O-N 3.34Å; L182-I185 PolarHBondContact O-N 2.89Å; Q183-I185 VanDerWaalsContact C-N 3.26Å; Q183-I185 PolarHBondContact O-N 3.22Å; I185-R188 WeakPolarHBondContact O-CG 3.24Å; I185-R188 PolarHBondContact O-NE 3.29Å; I185-R188 VanDerWaalsContact O-NE 3.08Å
186Q75.5Confident86.1Confident136 Ų13670.1 Ų70.164%0.63634%0.343SS*.Hα-helixtrans-80.5-30.3178-75.4167.2-0.500112.9L182 Q183 T184 R188L182-Q186 VanDerWaalsContact O-CG 3.26Å; L182-Q186 WeakPolarHBondContact O-CG 3.41Å; L182-Q186 PolarHBondContact O-N 2.99Å; L182-Q186 VanDerWaalsContact O-N 3.09Å; Q183-Q186 WeakPolarHBondContact O-CB 3.05Å; Q183-Q186 PolarHBondContact O-N 3.44Å; T184-Q186 VanDerWaalsContact C-N 3.31Å; Q186-R188 PolarHBondContact O-N 2.82Å
187N86.6Confident87Confident47 Ų4773.1 Ų73.125%0.25135%0.348SS..  trans-78.157.4-176.6-67-18.5000112.9Q183 I189 V234 L313 D316Q183-N187 PolarHBondContact O-N 3.01Å; N187-I189 PolarHBondContact O-N 3.03Å; N187-V234 HydrophobicContact CB-CG2 4.43Å; N187-L313 HydrophobicContact CB-CD2 4.23Å; N187-L313 WeakPolarHBondContact O-CD2 3.48Å; N187-D316 PolarHBondContact ND2-OD2 3.14Å
188R91.4Very high87.7Confident163 Ų16367 Ų6762%0.61533%0.329SS*.  trans-83.8105.5178-54-176.8-174.2-169-0.8109.8I185 Q186 L219I185-R188 WeakPolarHBondContact O-CG 3.24Å; I185-R188 PolarHBondContact O-NE 3.29Å; I185-R188 VanDerWaalsContact O-NE 3.08Å; Q186-R188 PolarHBondContact O-N 2.82Å; R188-L219 HydrophobicContact CB-CD2 3.68Å; R188-L219 HydrophobicContact CB-CG 4.18Å
189I97Very high88.3Confident12 Ų1264.6 Ų64.66%0.06232%0.317CS..  trans-127.5117.4-176.5-58.6142.8000108.6N187 L219 A222 F230 P233 V234 Y238 Y312 L313N187-I189 PolarHBondContact O-N 3.03Å; I189-L219 WeakPolarHBondContact CA-O 3.49Å; I189-A222 HydrophobicContact CG2-CB 3.94Å; I189-F230 HydrophobicContact CG2-CE2 3.95Å; I189-F230 HydrophobicContact CG2-CZ 4.1Å; I189-P233 HydrophobicContact CD1-CG 3.44Å; I189-P233 VanDerWaalsContact CD1-CG 3.44Å; I189-P233 HydrophobicContact CG1-CG 3.67Å; I189-P233 HydrophobicContact CG2-CG 4.38Å; I189-V234 HydrophobicContact CD1-CG2 3.71Å; I189-Y238 HydrophobicContact CD1-CE1 4.34Å; I189-Y238 HydrophobicContact CG2-CE1 4.22Å; I189-Y312 VanDerWaalsContact O-CA 3.24Å; I189-Y312 WeakPolarHBondContact O-CA 3.23Å; I189-Y312 WeakPolarHBondContact O-CB 3.25Å; I189-L313 HydrophobicContact CB-CB 4.05Å; I189-L313 HydrophobicContact CD1-CB 4.06Å; I189-L313 HydrophobicContact CD1-CD2 3.99Å; I189-L313 HydrophobicContact CD1-CG 4.48Å; I189-L313 PolarHBondContact O-N 3.35Å
190A98.3Very high88.9Confident32 Ų3264.6 Ų64.626%0.26432%0.32SS..EExtended strand (participates in β ladder)trans-156.6131.217600000110.2N218 L219 G311A190-N218 CarbonylContact O-C 3.48Å; A190-L219 HydrophobicContact CB-CB 4.46Å; A190-L219 PolarHBondContact N-O 2.99Å; A190-L219 PolarHBondContact O-N 2.8Å; A190-G311 CarbonylContact C-O 3.54Å; A190-G311 WeakPolarHBondContact CA-O 3.34Å
191F98.8Very high89.6Confident8 Ų868.7 Ų68.74%0.03534%0.337CS..EExtended strand (participates in β ladder)trans-129.6149.8174.376-83.4000111.7T217 Y223 F230 L240 F309 S310 G311F191-T217 CarbonylContact C-O 3.54Å; F191-T217 WeakPolarHBondContact CA-O 3.38Å; F191-Y223 HydrophobicContact CD2-CD1 4.5Å; F191-Y223 AromaticContact CD2-CD2 3.93Å; F191-Y223 HydrophobicContact CD2-CD2 3.93Å; F191-Y223 AromaticContact CD2-CG 3.82Å; F191-Y223 HydrophobicContact CD2-CG 3.82Å; F191-Y223 AromaticContact CE2-CD2 3.89Å; F191-Y223 HydrophobicContact CE2-CD2 3.89Å; F191-Y223 HydrophobicContact CE2-CE2 4.41Å; F191-Y223 HydrophobicContact CE2-CG 4.27Å; F191-Y223 HydrophobicContact CG-CG 4.29Å; F191-Y223 HydrophobicContact CZ-CD2 4.49Å; F191-F230 AromaticContact CD1-CD2 3.39Å; F191-F230 HydrophobicContact CD1-CD2 3.39Å; F191-F230 AromaticContact CD1-CE2 3.66Å; F191-F230 HydrophobicContact CD1-CE2 3.66Å; F191-F230 HydrophobicContact CD1-CG 4.33Å; F191-F230 HydrophobicContact CE1-CB 4.11Å; F191-F230 AromaticContact CE1-CD2 3.24Å; F191-F230 HydrophobicContact CE1-CD2 3.24Å; F191-F230 AromaticContact CE1-CE2 3.7Å; F191-F230 HydrophobicContact CE1-CE2 3.7Å; F191-F230 AromaticContact CE1-CG 3.74Å; F191-F230 HydrophobicContact CE1-CG 3.74Å; F191-F230 HydrophobicContact CG-CD2 4.36Å; F191-F230 HydrophobicContact CZ-CB 4.19Å; F191-F230 HydrophobicContact CZ-CD2 4.13Å; F191-F230 HydrophobicContact CZ-CG 4.3Å; F191-L240 HydrophobicContact CE1-CD2 3.97Å; F191-L240 HydrophobicContact CZ-CD2 4.2Å; F191-F309 HydrophobicContact CE2-CB 4.46Å; F191-F309 AromaticContact CE2-CD1 3.54Å; F191-F309 HydrophobicContact CE2-CD1 3.54Å; F191-F309 HydrophobicContact CE2-CD2 4.34Å; F191-F309 AromaticContact CE2-CE1 3.76Å; F191-F309 HydrophobicContact CE2-CE1 3.76Å; F191-F309 AromaticContact CE2-CG 3.85Å; F191-F309 HydrophobicContact CE2-CG 3.85Å; F191-F309 HydrophobicContact CE2-CZ 4.25Å; F191-F309 AromaticContact CZ-CD1 3.9Å; F191-F309 HydrophobicContact CZ-CD1 3.9Å; F191-F309 HydrophobicContact CZ-CD2 4.31Å; F191-F309 AromaticContact CZ-CE1 3.64Å; F191-F309 HydrophobicContact CZ-CE1 3.64Å; F191-F309 HydrophobicContact CZ-CE2 4.07Å; F191-F309 HydrophobicContact CZ-CG 4.22Å; F191-F309 AromaticContact CZ-CZ 3.73Å; F191-F309 HydrophobicContact CZ-CZ 3.73Å; F191-S310 VanDerWaalsContact CZ-C 3.42Å; F191-S310 VanDerWaalsContact O-CA 3.23Å; F191-S310 WeakPolarHBondContact O-CA 3.09Å; F191-S310 VanDerWaalsContact O-CB 3.27Å; F191-S310 WeakPolarHBondContact O-CB 3.3Å; F191-G311 WeakPolarHBondContact CD1-O 3.3Å; F191-G311 VanDerWaalsContact CE1-CA 3.47Å; F191-G311 VanDerWaalsContact CE1-N 3.3Å; F191-G311 PolarHBondContact N-O 2.89Å; F191-G311 PolarHBondContact O-N 2.84Å
192F98.8Very high90.2Very high78 Ų7868 Ų6834%0.34233%0.332SS..EExtended strand (participates in β ladder)trans-143.8116.1169.8175.3-134.3000107.8I216 T217 T308F192-I216 HydrophobicContact CD1-CB 3.72Å; F192-I216 HydrophobicContact CD1-CG1 4.01Å; F192-I216 HydrophobicContact CD1-CG2 4.04Å; F192-I216 HydrophobicContact CE1-CB 4.27Å; F192-I216 HydrophobicContact CE1-CG1 4.08Å; F192-I216 HydrophobicContact CE1-CG2 4.49Å; F192-I216 PolarHBondContact O-N 2.91Å; F192-T217 PolarHBondContact N-O 2.91Å; F192-T217 PolarHBondContact O-N 2.98Å; F192-T217 VanDerWaalsContact O-N 3.13Å; F192-T308 HydrophobicContact CE2-CG2 3.81Å; F192-T308 HydrophobicContact CZ-CG2 4.16Å
193A98.9Very high90.6Very high0 Ų065.9 Ų65.90%032%0.323CS..EExtended strand (participates in β ladder)trans-135.7166.417800000109.7M212 K214 V215 Y223 T308 F309A193-M212 HydrophobicContact CB-CB 4.03Å; A193-M212 WeakPolarHBondContact CB-O 3.43Å; A193-K214 CarbonylContact C-O 3.59Å; A193-K214 VanDerWaalsContact CA-O 3.26Å; A193-K214 WeakPolarHBondContact CA-O 3.44Å; A193-V215 HydrophobicContact CB-CG2 4.09Å; A193-Y223 HydrophobicContact CB-CD1 4.01Å; A193-Y223 HydrophobicContact CB-CE1 3.7Å; A193-T308 CarbonylContact O-C 3.53Å; A193-T308 WeakPolarHBondContact O-CA 3.35Å; A193-T308 WeakPolarHBondContact O-CB 3.5Å; A193-F309 PolarHBondContact N-O 2.84Å; A193-F309 PolarHBondContact O-N 2.93Å
194G98.7Very high91.4Very high0 Ų070.4 Ų70.40%035%0.349CS..EExtended strand (participates in β ladder)trans-161.9-177.217100000112.6M212 N213 K214 S307G194-M212 CarbonylContact O-C 3.53Å; G194-M212 VanDerWaalsContact O-C 3.23Å; G194-N213 PolarHBondContact O-N 3.04Å; G194-K214 PolarHBondContact N-O 2.78Å; G194-K214 PolarHBondContact O-N 2.93Å; G194-S307 VanDerWaalsContact CA-O 3.27Å; G194-S307 WeakPolarHBondContact CA-O 3.48Å
195L98.5Very high92.2Very high10 Ų1072.8 Ų72.85%0.05236%0.359CS..  trans-83.4123.6-173.8-173.965.3000110.2F197 V199 L210 M212 L301 G303 Y304 M305 S307L195-F197 WeakPolarHBondContact CD2-O 3.5Å; L195-F197 WeakPolarHBondContact CG-O 3.33Å; L195-V199 HydrophobicContact CD1-CG2 4.28Å; L195-V199 HydrophobicContact CD2-CG2 4.07Å; L195-L210 HydrophobicContact CD1-CD1 4.17Å; L195-M212 HydrophobicContact CB-SD 3.83Å; L195-M212 PolarHBondContact N-SD 2.99Å; L195-L301 HydrophobicContact CD2-CB 3.58Å; L195-G303 CarbonylContact O-C 3.6Å; L195-G303 VanDerWaalsContact O-C 3.26Å; L195-G303 WeakPolarHBondContact O-CA 3.47Å; L195-Y304 PolarHBondContact O-N 3.37Å; L195-M305 PolarHBondContact O-N 3.22Å; L195-S307 PolarHBondContact N-O 2.82Å
196E98.3Very high92.5Very high65 Ų6576.8 Ų76.830%0.30438%0.376SS..SBendtrans-75.6-46.7-178.3-168.7169.6-150.100113N213 K214 Y304E196-N213 WeakPolarHBondContact CB-OD1 3.31Å; E196-N213 PolarHBondContact N-OD1 3.08Å; E196-N213 PolarHBondContact OE2-ND2 3.21Å; E196-K214 HydrophobicContact CB-CB 4.03Å; E196-K214 HydrophobicContact CB-CD 4.43Å; E196-K214 HydrophobicContact CG-CB 4.48Å; E196-K214 HydrophobicContact CG-CD 4.12Å; E196-Y304 WeakPolarHBondContact O-CA 3.28Å; E196-Y304 PolarHBondContact O-N 2.99Å
197F98.1Very high92.6Very high123 Ų12375 Ų7554%0.53937%0.371SS..SBendtrans-125.1156.1-177.7-59.7-70000111.2L195 Y304L195-F197 WeakPolarHBondContact CD2-O 3.5Å; L195-F197 WeakPolarHBondContact CG-O 3.33Å; F197-Y304 HydrophobicContact CD1-CE1 4.17Å; F197-Y304 HydrophobicContact CE1-CE1 4.46Å
198N97.6Very high92.7Very high48 Ų4873.4 Ų73.426%0.25736%0.362SS..  trans-61.1139.6-178.9-59.6-37.1000111.7V200 L301 H302 G303N198-V200 HydrophobicContact CB-CG1 3.81Å; N198-L301 CarbonylContact C-O 3.59Å; N198-L301 VanDerWaalsContact CA-O 3.28Å; N198-L301 WeakPolarHBondContact CA-O 3.4Å; N198-H302 WeakPolarHBondContact OD1-CA 3.21Å; N198-H302 PolarHBondContact OD1-ND1 2.79Å; N198-G303 PolarHBondContact OD1-N 3.41Å
199V96.4Very high92.8Very high30 Ų3069.6 Ų69.618%0.18235%0.35CS..  trans-86.1118.5161.2-177.10000107.2L195 L210 I294 Y299 F300 L301L195-V199 HydrophobicContact CD1-CG2 4.28Å; L195-V199 HydrophobicContact CD2-CG2 4.07Å; V199-L210 HydrophobicContact CG2-CD1 4.27Å; V199-I294 HydrophobicContact CG1-CD1 4.37Å; V199-Y299 WeakPolarHBondContact CG1-O 3.44Å; V199-F300 CarbonylContact O-C 3.48Å; V199-F300 WeakPolarHBondContact O-CA 3.46Å; V199-L301 HydrophobicContact CB-CB 4.04Å; V199-L301 HydrophobicContact CB-CD1 4.07Å; V199-L301 HydrophobicContact CG2-CB 4.19Å; V199-L301 HydrophobicContact CG2-CD1 4.09Å; V199-L301 PolarHBondContact N-O 2.83Å; V199-L301 PolarHBondContact O-N 2.98Å
200V94Very high92.8Very high85 Ų8569.2 Ų69.252%0.51535%0.349SS..  trans-126.9-14.1-177.6-61.90000113.6N198 F300N198-V200 HydrophobicContact CB-CG1 3.81Å; V200-F300 VanDerWaalsContact O-CE1 3.3Å; V200-F300 WeakPolarHBondContact O-CE1 3.48Å
201E91.3Very high92.8Very high157 Ų15770.7 Ų70.773%0.73435%0.351SS*.SBendtrans-97.6144.7176.4-64.2-179.2-179.700109.7P203 Y299E201-P203 WeakPolarHBondContact O-CD 3.47Å; E201-Y299 WeakPolarHBondContact O-CD2 3.32Å
202K88.9Confident92.7Very high106 Ų10670.3 Ų70.346%0.46135%0.35SS..PPolyproline II helixtrans-67.6123.7169.2172.7165.1170.3162.50107.9D296 Y299K202-D296 VanDerWaalsContact CE-OD1 3.25Å; K202-D296 WeakPolarHBondContact CE-OD1 3.17Å; K202-D296 IonicContact NZ-OD1 2.8Å; K202-D296 PolarHBondContact NZ-OD1 2.9Å; K202-D296 IonicContact NZ-OD2 3.97Å; K202-D296 PolarHBondContact NZ-OD2 2.84Å; K202-Y299 HydrophobicContact CB-CD1 4.13Å; K202-Y299 HydrophobicContact CB-CD2 4.47Å; K202-Y299 HydrophobicContact CB-CE1 3.71Å; K202-Y299 HydrophobicContact CB-CE2 4.08Å; K202-Y299 HydrophobicContact CB-CG 4.49Å; K202-Y299 HydrophobicContact CD-CE1 4.34Å; K202-Y299 HydrophobicContact CG-CD1 4.32Å; K202-Y299 HydrophobicContact CG-CE1 4.16Å
203P87.4Confident92.7Very high34 Ų3469.6 Ų69.622%0.22135%0.349CS..PPolyproline II helixtrans-61.8151.1173.2-22.534.6000112E201 P208 I294E201-P203 WeakPolarHBondContact O-CD 3.47Å; P203-P208 HydrophobicContact CB-CB 3.23Å; P203-P208 HydrophobicContact CB-CG 3.57Å; P203-P208 HydrophobicContact CG-CB 3.69Å; P203-P208 HydrophobicContact CG-CG 3.66Å; P203-I294 HydrophobicContact CG-CD1 4.11Å
204L86.1Confident92.7Very high178 Ų17873.6 Ų73.693%0.93237%0.367SS*.SBendtrans-79.3-29.9-177.4-60.2178000113.2
205D85.9Confident92.7Very high119 Ų11976 Ų7664%0.63638%0.381SS*.SBendtrans-75.6150.6179.9-53.8-44.9000111.8P208D205-P208 HydrophobicContact CB-CB 4.31Å; D205-P208 WeakPolarHBondContact O-CD 3.27Å
206E77Confident92.7Very high182 Ų18280.2 Ų80.285%0.8540%0.403SS*.SBendtrans-69.1-33179.8-63.9-174.1164.400113.7
207N77Confident92.7Very high99 Ų9980.1 Ų80.153%0.52941%0.407SS..SBendtrans-126.773173.8-75.7-71000109.4K209N207-K209 PolarHBondContact O-N 2.81Å
208P87.4Confident92.7Very high12 Ų1276 Ų768%0.07839%0.39CS..PPolyproline II helixtrans-72.2130.7-170.531.3-36.2000111.2P203 D205 A293 I294P203-P208 HydrophobicContact CB-CB 3.23Å; P203-P208 HydrophobicContact CB-CG 3.57Å; P203-P208 HydrophobicContact CG-CB 3.69Å; P203-P208 HydrophobicContact CG-CG 3.66Å; D205-P208 HydrophobicContact CB-CB 4.31Å; D205-P208 WeakPolarHBondContact O-CD 3.27Å; P208-A293 WeakPolarHBondContact O-CA 3.26Å; P208-I294 HydrophobicContact CG-CB 4.02Å; P208-I294 PolarHBondContact O-N 3.39Å
209K94.4Very high92.7Very high83 Ų8378.1 Ų78.136%0.36140%0.401SS..BIsolated β-bridgetrans-77.2123.9-178.6-168.7166.9-63.9177.20110.4N207 T227 E229 W291 L292N207-K209 PolarHBondContact O-N 2.81Å; K209-T227 WeakPolarHBondContact CD-O 3.41Å; K209-E229 HydrophobicContact CD-CG 4.12Å; K209-E229 IonicContact NZ-OE1 2.67Å; K209-E229 PolarHBondContact NZ-OE1 2.78Å; K209-W291 HydrophobicContact CB-CE3 4.42Å; K209-W291 HydrophobicContact CB-CZ3 4.47Å; K209-W291 HydrophobicContact CD-CE3 4.15Å; K209-W291 HydrophobicContact CG-CE3 3.89Å; K209-W291 HydrophobicContact CG-CZ3 4.43Å; K209-L292 CarbonylContact C-O 3.52Å; K209-L292 WeakPolarHBondContact CA-O 3.46Å
210L96.9Very high92.7Very high5 Ų578.7 Ų78.73%0.02641%0.413CS..PPolyproline II helixtrans-84.2116.4174.1177.560.6000110L195 V199 M212 V254 L292 I294 L301L195-L210 HydrophobicContact CD1-CD1 4.17Å; V199-L210 HydrophobicContact CG2-CD1 4.27Å; L210-M212 HydrophobicContact CD2-CE 3.65Å; L210-M212 HydrophobicContact CD2-SD 4.44Å; L210-M212 HydrophobicContact CG-CE 4.28Å; L210-V254 HydrophobicContact CD2-CB 4.44Å; L210-V254 HydrophobicContact CD2-CG1 3.93Å; L210-V254 HydrophobicContact CD2-CG2 3.6Å; L210-L292 HydrophobicContact CB-CB 3.89Å; L210-L292 HydrophobicContact CD2-CD1 4.31Å; L210-L292 PolarHBondContact N-O 3.1Å; L210-I294 HydrophobicContact CB-CD1 4.25Å; L210-I294 HydrophobicContact CB-CG1 3.78Å; L210-I294 HydrophobicContact CD1-CD1 4.14Å; L210-I294 HydrophobicContact CD1-CG1 4.45Å; L210-L301 HydrophobicContact CD1-CD1 4.08Å; L210-L301 HydrophobicContact CD2-CD1 4.13Å; L210-L301 HydrophobicContact CD2-CD2 3.65Å
211I97.6Very high92.8Very high63 Ų6381.2 Ų81.232%0.32342%0.424SS..  trans-96.9115.8179.1-58.9167.5000108.8N213 P225 I226I211-N213 VanDerWaalsContact C-N 3.27Å; I211-N213 HydrophobicContact CG2-CB 4.15Å; I211-N213 PolarHBondContact O-N 3.46Å; I211-N213 VanDerWaalsContact O-N 3.08Å; I211-P225 WeakPolarHBondContact CG2-O 3.36Å; I211-I226 WeakPolarHBondContact CD1-O 3.46Å
212M98.5Very high93.1Very high0 Ų074.1 Ų74.10%039%0.392CS..  trans-84.276.7172.1-63.2-66.8-168.300108.3A193 G194 L195 L210 K214 Y223 L242 I244 L292 F309A193-M212 HydrophobicContact CB-CB 4.03Å; A193-M212 WeakPolarHBondContact CB-O 3.43Å; G194-M212 CarbonylContact O-C 3.53Å; G194-M212 VanDerWaalsContact O-C 3.23Å; L195-M212 HydrophobicContact CB-SD 3.83Å; L195-M212 PolarHBondContact N-SD 2.99Å; L210-M212 HydrophobicContact CD2-CE 3.65Å; L210-M212 HydrophobicContact CD2-SD 4.44Å; L210-M212 HydrophobicContact CG-CE 4.28Å; M212-K214 VanDerWaalsContact C-N 3.31Å; M212-K214 PolarHBondContact O-N 2.67Å; M212-Y223 WeakPolarHBondContact CB-OH 3.48Å; M212-Y223 PolarHBondContact N-OH 2.94Å; M212-Y223 WeakPolarHBondContact O-CE1 3.33Å; M212-L242 HydrophobicContact CE-CD1 4.12Å; M212-I244 HydrophobicContact CE-CD1 4.14Å; M212-L292 HydrophobicContact CE-CD1 3.65Å; M212-L292 HydrophobicContact CG-CD1 3.92Å; M212-F309 HydrophobicContact CB-CB 4.45Å; M212-F309 HydrophobicContact CE-CB 4.36Å; M212-F309 HydrophobicContact CG-CB 3.76Å
213N98.2Very high93.6Very high62 Ų6269.2 Ų69.233%0.33237%0.371SS..  trans-67.4-24.7-16473.4-50.7000114.7G194 E196 I211G194-N213 PolarHBondContact O-N 3.04Å; E196-N213 WeakPolarHBondContact CB-OD1 3.31Å; E196-N213 PolarHBondContact N-OD1 3.08Å; E196-N213 PolarHBondContact OE2-ND2 3.21Å; I211-N213 VanDerWaalsContact C-N 3.27Å; I211-N213 HydrophobicContact CG2-CB 4.15Å; I211-N213 PolarHBondContact O-N 3.46Å; I211-N213 VanDerWaalsContact O-N 3.08Å
214K98.6Very high94.1Very high84 Ų8470.4 Ų70.437%0.36538%0.375SS..EExtended strand (participates in β ladder)trans-94.9105.4-177.9178.2166.4178.5169.70111A193 G194 E196 M212 M305A193-K214 CarbonylContact C-O 3.59Å; A193-K214 VanDerWaalsContact CA-O 3.26Å; A193-K214 WeakPolarHBondContact CA-O 3.44Å; G194-K214 PolarHBondContact N-O 2.78Å; G194-K214 PolarHBondContact O-N 2.93Å; E196-K214 HydrophobicContact CB-CB 4.03Å; E196-K214 HydrophobicContact CB-CD 4.43Å; E196-K214 HydrophobicContact CG-CB 4.48Å; E196-K214 HydrophobicContact CG-CD 4.12Å; M212-K214 VanDerWaalsContact C-N 3.31Å; M212-K214 PolarHBondContact O-N 2.67Å; K214-M305 HydrophobicContact CB-CE 3.69Å; K214-M305 HydrophobicContact CB-SD 4.36Å; K214-M305 HydrophobicContact CD-CE 3.91Å; K214-M305 HydrophobicContact CD-CG 4.37Å; K214-M305 HydrophobicContact CD-SD 3.61Å; K214-M305 HydrophobicContact CG-CE 3.75Å; K214-M305 HydrophobicContact CG-SD 3.73Å
215V98.7Very high94.7Very high50 Ų5064.1 Ų64.130%0.30335%0.345SS..EExtended strand (participates in β ladder)trans-93.3133.8-178.3179.60000110.7A193 N218 Y223 P225A193-V215 HydrophobicContact CB-CG2 4.09Å; V215-N218 HydrophobicContact CG1-CB 3.83Å; V215-Y223 HydrophobicContact CG2-CD1 4.15Å; V215-Y223 HydrophobicContact CG2-CE1 4.36Å; V215-P225 HydrophobicContact CG2-CB 3.6Å; V215-P225 HydrophobicContact CG2-CG 3.87Å
216I98.6Very high95.2Very high99 Ų9965.2 Ų65.251%0.50835%0.35SS..EExtended strand (participates in β ladder)trans-106.4-42.1172-55.8-58.6000110.4F192 M305F192-I216 HydrophobicContact CD1-CB 3.72Å; F192-I216 HydrophobicContact CD1-CG1 4.01Å; F192-I216 HydrophobicContact CD1-CG2 4.04Å; F192-I216 HydrophobicContact CE1-CB 4.27Å; F192-I216 HydrophobicContact CE1-CG1 4.08Å; F192-I216 HydrophobicContact CE1-CG2 4.49Å; F192-I216 PolarHBondContact O-N 2.91Å; I216-M305 HydrophobicContact CD1-SD 4.24Å; I216-M305 HydrophobicContact CG1-SD 4.34Å
217T98.6Very high96.2Very high64 Ų6458.9 Ų58.939%0.39332%0.323SS..EExtended strand (participates in β ladder)trans-133.6138.5178.5-54.20000109.6F191 F192F191-T217 CarbonylContact C-O 3.54Å; F191-T217 WeakPolarHBondContact CA-O 3.38Å; F192-T217 PolarHBondContact N-O 2.91Å; F192-T217 PolarHBondContact O-N 2.98Å; F192-T217 VanDerWaalsContact O-N 3.13Å
218N98.2Very high97.2Very high36 Ų3654.2 Ų54.219%0.19330%0.298CS..EExtended strand (participates in β ladder)trans-150.354.7173.6-166.715.3000111.3A190 V215 G220 N221 A222 Y223A190-N218 CarbonylContact O-C 3.48Å; V215-N218 HydrophobicContact CG1-CB 3.83Å; N218-G220 PolarHBondContact O-N 2.77Å; N218-N221 PolarHBondContact O-N 3.39Å; N218-N221 PolarHBondContact O-OD1 3.07Å; N218-A222 PolarHBondContact OD1-N 3.4Å; N218-Y223 PolarHBondContact ND2-O 3.11Å; N218-Y223 PolarHBondContact OD1-N 3.12Å
219L97.1Very high97.7Very high92 Ų9255 Ų5548%0.48230%0.301SS..EExtended strand (participates in β ladder)trans-66.3128.3177.9-168.965.1000109.5R188 I189 A190 N221R188-L219 HydrophobicContact CB-CD2 3.68Å; R188-L219 HydrophobicContact CB-CG 4.18Å; I189-L219 WeakPolarHBondContact CA-O 3.49Å; A190-L219 HydrophobicContact CB-CB 4.46Å; A190-L219 PolarHBondContact N-O 2.99Å; A190-L219 PolarHBondContact O-N 2.8Å; L219-N221 VanDerWaalsContact C-N 3.33Å
220G95.4Very high97.9Very high42 Ų4251 Ų5143%0.43328%0.284SS..THydrogen-bonded Turntrans85.5-3-170.700000114.7N218 A222N218-G220 PolarHBondContact O-N 2.77Å; G220-A222 PolarHBondContact O-N 3.42Å; G220-A222 VanDerWaalsContact O-N 3.12Å
221N97.1Very high98Very high138 Ų13854.1 Ų54.174%0.73830%0.299SS*.SBendtrans52.329.4-179.8-61.1-47.3000114.3N218 L219N218-N221 PolarHBondContact O-N 3.39Å; N218-N221 PolarHBondContact O-OD1 3.07Å; L219-N221 VanDerWaalsContact C-N 3.33Å
222A97.9Very high98Very high9 Ų951.1 Ų51.17%0.07428%0.284CS..  trans-80.9-21.1-17400000113.2I189 N218 G220 F230 I231 P233I189-A222 HydrophobicContact CG2-CB 3.94Å; N218-A222 PolarHBondContact OD1-N 3.4Å; G220-A222 PolarHBondContact O-N 3.42Å; G220-A222 VanDerWaalsContact O-N 3.12Å; A222-F230 HydrophobicContact CB-CD2 3.79Å; A222-F230 HydrophobicContact CB-CE2 3.39Å; A222-F230 HydrophobicContact CB-CZ 4.17Å; A222-F230 CarbonylContact O-C 3.58Å; A222-F230 WeakPolarHBondContact O-CA 3.45Å; A222-I231 PolarHBondContact O-N 3.41Å; A222-P233 HydrophobicContact CB-CG 4.28Å
223Y98.8Very high97.8Very high3 Ų353.1 Ų53.11%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-95.8134.1172.9-172.6-105.1000111.5F191 A193 M212 V215 N218 P225 G228 E229 F230 F309F191-Y223 HydrophobicContact CD2-CD1 4.5Å; F191-Y223 AromaticContact CD2-CD2 3.93Å; F191-Y223 HydrophobicContact CD2-CD2 3.93Å; F191-Y223 AromaticContact CD2-CG 3.82Å; F191-Y223 HydrophobicContact CD2-CG 3.82Å; F191-Y223 AromaticContact CE2-CD2 3.89Å; F191-Y223 HydrophobicContact CE2-CD2 3.89Å; F191-Y223 HydrophobicContact CE2-CE2 4.41Å; F191-Y223 HydrophobicContact CE2-CG 4.27Å; F191-Y223 HydrophobicContact CG-CG 4.29Å; F191-Y223 HydrophobicContact CZ-CD2 4.49Å; A193-Y223 HydrophobicContact CB-CD1 4.01Å; A193-Y223 HydrophobicContact CB-CE1 3.7Å; M212-Y223 WeakPolarHBondContact CB-OH 3.48Å; M212-Y223 PolarHBondContact N-OH 2.94Å; M212-Y223 WeakPolarHBondContact O-CE1 3.33Å; V215-Y223 HydrophobicContact CG2-CD1 4.15Å; V215-Y223 HydrophobicContact CG2-CE1 4.36Å; N218-Y223 PolarHBondContact ND2-O 3.11Å; N218-Y223 PolarHBondContact OD1-N 3.12Å; Y223-P225 HydrophobicContact CE1-CB 4.27Å; Y223-G228 WeakPolarHBondContact CE2-O 2.98Å; Y223-G228 WeakPolarHBondContact OH-CA 3.38Å; Y223-G228 PolarHBondContact OH-O 2.91Å; Y223-E229 CarbonylContact C-O 3.56Å; Y223-E229 WeakPolarHBondContact CA-O 3.27Å; Y223-E229 WeakPolarHBondContact CD2-O 3.23Å; Y223-F230 HydrophobicContact CD2-CB 4.18Å; Y223-F309 HydrophobicContact CD2-CD1 4.4Å; Y223-F309 HydrophobicContact CD2-CE1 4.39Å; Y223-F309 AromaticContact CE2-CD1 3.81Å; Y223-F309 HydrophobicContact CE2-CD1 3.81Å; Y223-F309 HydrophobicContact CE2-CE1 4Å
224N98.4Very high97.7Very high59 Ų5951.3 Ų51.332%0.31629%0.289SS..EExtended strand (participates in β ladder)trans-110.4108.9176.5-176.7-15.1000110.5I226 T227 G228 E229N224-I226 PolarHBondContact O-N 2.91Å; N224-I226 WeakPolarHBondContact OD1-CB 3.39Å; N224-I226 PolarHBondContact OD1-N 3.13Å; N224-T227 WeakPolarHBondContact CB-OG1 3.35Å; N224-T227 PolarHBondContact O-N 2.97Å; N224-T227 PolarHBondContact OD1-N 3.04Å; N224-G228 WeakPolarHBondContact O-CA 3.42Å; N224-G228 PolarHBondContact O-N 2.97Å; N224-E229 PolarHBondContact N-O 3.2Å; N224-E229 PolarHBondContact O-N 3.35Å
225P98Very high97.5Very high46 Ų4648.8 Ų48.830%0.29928%0.279SS..THydrogen-bonded Turntrans-74.7-4.5-179.331.4-35.9000114.7I211 V215 Y223I211-P225 WeakPolarHBondContact CG2-O 3.36Å; V215-P225 HydrophobicContact CG2-CB 3.6Å; V215-P225 HydrophobicContact CG2-CG 3.87Å; Y223-P225 HydrophobicContact CE1-CB 4.27Å
226I97.3Very high97.3Very high142 Ų14246.4 Ų46.473%0.72827%0.265SS*.THydrogen-bonded Turntrans-87.9-40.8172.8-56.4175.5000110.1I211 N224I211-I226 WeakPolarHBondContact CD1-O 3.46Å; N224-I226 PolarHBondContact O-N 2.91Å; N224-I226 WeakPolarHBondContact OD1-CB 3.39Å; N224-I226 PolarHBondContact OD1-N 3.13Å
227T96.8Very high97.2Very high49 Ų4942.3 Ų42.330%0.30124%0.244SC..THydrogen-bonded Turntrans-94.1-17.5179.266.30000113.5K209 N224 E229K209-T227 WeakPolarHBondContact CD-O 3.41Å; N224-T227 WeakPolarHBondContact CB-OG1 3.35Å; N224-T227 PolarHBondContact O-N 2.97Å; N224-T227 PolarHBondContact OD1-N 3.04Å; T227-E229 VanDerWaalsContact C-N 3.31Å; T227-E229 WeakPolarHBondContact OG1-CG 3.47Å; T227-E229 PolarHBondContact OG1-OE2 2.85Å
228G97.6Very high97.2Very high0 Ų039.3 Ų39.30%023%0.225CC..THydrogen-bonded Turntrans79.99.2-175.700000114.4Y223 N224Y223-G228 WeakPolarHBondContact CE2-O 2.98Å; Y223-G228 WeakPolarHBondContact OH-CA 3.38Å; Y223-G228 PolarHBondContact OH-O 2.91Å; N224-G228 WeakPolarHBondContact O-CA 3.42Å; N224-G228 PolarHBondContact O-N 2.97Å
229E98.1Very high97.2Very high28 Ų2838.6 Ų38.613%0.13122%0.221CC..EExtended strand (participates in β ladder)trans-105.5139.6-170-55.9177.9134.800112.4K209 Y223 N224 T227 W291K209-E229 HydrophobicContact CD-CG 4.12Å; K209-E229 IonicContact NZ-OE1 2.67Å; K209-E229 PolarHBondContact NZ-OE1 2.78Å; Y223-E229 CarbonylContact C-O 3.56Å; Y223-E229 WeakPolarHBondContact CA-O 3.27Å; Y223-E229 WeakPolarHBondContact CD2-O 3.23Å; N224-E229 PolarHBondContact N-O 3.2Å; N224-E229 PolarHBondContact O-N 3.35Å; T227-E229 VanDerWaalsContact C-N 3.31Å; T227-E229 WeakPolarHBondContact OG1-CG 3.47Å; T227-E229 PolarHBondContact OG1-OE2 2.85Å; E229-W291 HydrophobicContact CB-CB 4.5Å; E229-W291 HydrophobicContact CG-CB 4.02Å
230F98.7Very high97.3Very high0 Ų034.2 Ų34.20%020%0.198CC..EExtended strand (participates in β ladder)trans-92.3131.4158.9174.1-97.6000109I189 F191 A222 Y223 A232 Y238 L240 M284 R289 A290 F309I189-F230 HydrophobicContact CG2-CE2 3.95Å; I189-F230 HydrophobicContact CG2-CZ 4.1Å; F191-F230 AromaticContact CD1-CD2 3.39Å; F191-F230 HydrophobicContact CD1-CD2 3.39Å; F191-F230 AromaticContact CD1-CE2 3.66Å; F191-F230 HydrophobicContact CD1-CE2 3.66Å; F191-F230 HydrophobicContact CD1-CG 4.33Å; F191-F230 HydrophobicContact CE1-CB 4.11Å; F191-F230 AromaticContact CE1-CD2 3.24Å; F191-F230 HydrophobicContact CE1-CD2 3.24Å; F191-F230 AromaticContact CE1-CE2 3.7Å; F191-F230 HydrophobicContact CE1-CE2 3.7Å; F191-F230 AromaticContact CE1-CG 3.74Å; F191-F230 HydrophobicContact CE1-CG 3.74Å; F191-F230 HydrophobicContact CG-CD2 4.36Å; F191-F230 HydrophobicContact CZ-CB 4.19Å; F191-F230 HydrophobicContact CZ-CD2 4.13Å; F191-F230 HydrophobicContact CZ-CG 4.3Å; A222-F230 HydrophobicContact CB-CD2 3.79Å; A222-F230 HydrophobicContact CB-CE2 3.39Å; A222-F230 HydrophobicContact CB-CZ 4.17Å; A222-F230 CarbonylContact O-C 3.58Å; A222-F230 WeakPolarHBondContact O-CA 3.45Å; Y223-F230 HydrophobicContact CD2-CB 4.18Å; F230-A232 HydrophobicContact CE1-CB 4.31Å; F230-Y238 AromaticContact CE1-CD1 3.92Å; F230-Y238 HydrophobicContact CE1-CD1 3.92Å; F230-Y238 HydrophobicContact CE1-CE1 4.1Å; F230-Y238 HydrophobicContact CE1-CG 4.35Å; F230-Y238 AromaticContact CZ-CD1 3.61Å; F230-Y238 HydrophobicContact CZ-CD1 3.61Å; F230-Y238 AromaticContact CZ-CE1 3.6Å; F230-Y238 HydrophobicContact CZ-CE1 3.6Å; F230-Y238 HydrophobicContact CZ-CG 4.46Å; F230-L240 HydrophobicContact CD1-CD2 4.46Å; F230-M284 HydrophobicContact CD1-CE 4.17Å; F230-M284 HydrophobicContact CD1-SD 4.37Å; F230-M284 HydrophobicContact CE1-CE 4.25Å; F230-M284 HydrophobicContact CE1-SD 4.07Å; F230-R289 CarbonylContact O-C 3.58Å; F230-R289 VanDerWaalsContact O-CA 3.32Å; F230-R289 WeakPolarHBondContact O-CA 3.42Å; F230-A290 HydrophobicContact CB-CB 4.32Å; F230-A290 HydrophobicContact CD1-CB 4.16Å; F230-A290 PolarHBondContact N-O 3.11Å; F230-A290 PolarHBondContact O-N 2.97Å; F230-F309 HydrophobicContact CB-CE1 4.47Å
231I98.6Very high97.4Very high70 Ų7035.4 Ų35.436%0.35919%0.192SC..EExtended strand (participates in β ladder)trans-118.4120.3175-51.9-176.6000108.1A222 P233 D288 R289A222-I231 PolarHBondContact O-N 3.41Å; I231-P233 WeakPolarHBondContact O-CD 3.28Å; I231-D288 WeakPolarHBondContact CA-O 2.97Å; I231-R289 HydrophobicContact CG1-CG 4.34Å
232A98.1Very high97.5Very high1 Ų128.9 Ų28.91%0.00816%0.157CC..  trans-62.5116.4179.700000110.3F230 Y238 M284 Y285 K286 G287 D288F230-A232 HydrophobicContact CE1-CB 4.31Å; A232-Y238 HydrophobicContact CB-CE2 3.88Å; A232-M284 HydrophobicContact CB-CB 3.89Å; A232-M284 HydrophobicContact CB-CE 4.15Å; A232-Y285 WeakPolarHBondContact CB-O 3.24Å; A232-K286 CarbonylContact O-C 3.54Å; A232-K286 WeakPolarHBondContact O-CA 3.32Å; A232-G287 PolarHBondContact O-N 2.91Å; A232-D288 PolarHBondContact N-O 3.48Å
233P95.8Very high97.6Very high42 Ų4228.9 Ų28.927%0.27316%0.157SC..SBendtrans-83-18.2-176.732.9-35.5000113.1I189 A222 I231 Y238 K286I189-P233 HydrophobicContact CD1-CG 3.44Å; I189-P233 VanDerWaalsContact CD1-CG 3.44Å; I189-P233 HydrophobicContact CG1-CG 3.67Å; I189-P233 HydrophobicContact CG2-CG 4.38Å; A222-P233 HydrophobicContact CB-CG 4.28Å; I231-P233 WeakPolarHBondContact O-CD 3.28Å; P233-Y238 WeakPolarHBondContact CD-OH 3.28Å; P233-K286 VanDerWaalsContact O-CD 3.24Å; P233-K286 WeakPolarHBondContact O-CD 3.48Å; P233-K286 VanDerWaalsContact O-CE 3.31Å; P233-K286 WeakPolarHBondContact O-CE 3.41Å; P233-K286 WeakPolarHBondContact O-CG 3.41Å
234V94.3Very high97.5Very high24 Ų2428.7 Ų28.715%0.14516%0.156CC..SBendtrans-138.1164.5176.2-57.50000110.3N187 I189 Y238 L313N187-V234 HydrophobicContact CB-CG2 4.43Å; I189-V234 HydrophobicContact CD1-CG2 3.71Å; V234-Y238 WeakPolarHBondContact CG2-OH 3.37Å; V234-Y238 PolarHBondContact O-OH 2.98Å; V234-L313 HydrophobicContact CG2-CD1 4.36Å; V234-L313 HydrophobicContact CG2-CD2 4.13Å
235N94.9Very high97.6Very high30 Ų3026 Ų2616%0.1614%0.142CC..SBendtrans-72.1140172.5-65.5-8.1000109.2M284 Y285 K286 D316 I317 N319N235-M284 WeakPolarHBondContact CA-O 3.28Å; N235-Y285 HydrophobicContact CB-CD1 4.47Å; N235-Y285 WeakPolarHBondContact OD1-CA 3.39Å; N235-K286 WeakPolarHBondContact OD1-CB 3.37Å; N235-K286 PolarHBondContact OD1-N 3.42Å; N235-D316 WeakPolarHBondContact O-CA 3.35Å; N235-D316 VanDerWaalsContact O-OD1 3.05Å; N235-I317 WeakPolarHBondContact CB-O 3.4Å; N235-I317 PolarHBondContact O-N 2.85Å; N235-N319 PolarHBondContact ND2-OD1 3.14Å
236G95.1Very high97.6Very high1 Ų123.9 Ų23.91%0.0113%0.128CC..EExtended strand (participates in β ladder)trans169.9-179.3177.900000115.5Q283 M284 F315G236-Q283 WeakPolarHBondContact O-CA 3.3Å; G236-M284 PolarHBondContact N-O 2.9Å; G236-M284 PolarHBondContact O-N 2.85Å; G236-F315 VanDerWaalsContact CA-O 3.24Å; G236-F315 WeakPolarHBondContact CA-O 3.17Å
237I96.7Very high97.5Very high13 Ų1320.3 Ų20.37%0.06711%0.108CC..EExtended strand (participates in β ladder)trans-91.8124.2167.5-58.1-52.3000108.7I281 L282 Q283 L314 F315 I317 I325I237-I281 HydrophobicContact CG2-CG2 3.45Å; I237-I281 VanDerWaalsContact CG2-CG2 3.45Å; I237-L282 WeakPolarHBondContact CA-O 3.5Å; I237-Q283 HydrophobicContact CD1-CB 3.64Å; I237-Q283 HydrophobicContact CD1-CG 4.1Å; I237-L314 HydrophobicContact CB-CB 4.41Å; I237-L314 HydrophobicContact CG2-CB 4.26Å; I237-L314 HydrophobicContact CG2-CD2 3.97Å; I237-L314 WeakPolarHBondContact O-CB 3.23Å; I237-L314 PolarHBondContact O-N 3.44Å; I237-F315 HydrophobicContact CB-CE1 4.21Å; I237-F315 HydrophobicContact CB-CE2 4.15Å; I237-F315 HydrophobicContact CB-CZ 4Å; I237-F315 HydrophobicContact CG1-CD2 4.21Å; I237-F315 HydrophobicContact CG1-CE1 4.08Å; I237-F315 HydrophobicContact CG1-CE2 3.45Å; I237-F315 VanDerWaalsContact CG1-CE2 3.45Å; I237-F315 HydrophobicContact CG1-CZ 3.37Å; I237-F315 PolarHBondContact N-O 3.43Å; I237-I317 HydrophobicContact CD1-CD1 3.78Å; I237-I317 HydrophobicContact CG1-CD1 4.01Å; I237-I325 HydrophobicContact CD1-CD1 4.29Å
238Y98.3Very high97.4Very high0 Ų020.7 Ų20.70%012%0.122CC..EExtended strand (participates in β ladder)trans-112.9139.4177.2-66.1-93.7000110.3I189 F230 A232 P233 V234 I281 L282 M284 Y312 L313I189-Y238 HydrophobicContact CD1-CE1 4.34Å; I189-Y238 HydrophobicContact CG2-CE1 4.22Å; F230-Y238 AromaticContact CE1-CD1 3.92Å; F230-Y238 HydrophobicContact CE1-CD1 3.92Å; F230-Y238 HydrophobicContact CE1-CE1 4.1Å; F230-Y238 HydrophobicContact CE1-CG 4.35Å; F230-Y238 AromaticContact CZ-CD1 3.61Å; F230-Y238 HydrophobicContact CZ-CD1 3.61Å; F230-Y238 AromaticContact CZ-CE1 3.6Å; F230-Y238 HydrophobicContact CZ-CE1 3.6Å; F230-Y238 HydrophobicContact CZ-CG 4.46Å; A232-Y238 HydrophobicContact CB-CE2 3.88Å; P233-Y238 WeakPolarHBondContact CD-OH 3.28Å; V234-Y238 WeakPolarHBondContact CG2-OH 3.37Å; V234-Y238 PolarHBondContact O-OH 2.98Å; Y238-I281 WeakPolarHBondContact O-CA 3.39Å; Y238-L282 PolarHBondContact N-O 3.34Å; Y238-L282 PolarHBondContact O-N 2.97Å; Y238-M284 HydrophobicContact CD2-CB 3.67Å; Y238-M284 HydrophobicContact CD2-CG 3.94Å; Y238-M284 HydrophobicContact CD2-SD 4.03Å; Y238-M284 HydrophobicContact CE2-CB 3.86Å; Y238-M284 HydrophobicContact CG-SD 4.19Å; Y238-Y312 WeakPolarHBondContact CA-O 3.46Å; Y238-L313 HydrophobicContact CD1-CB 4.18Å; Y238-L313 HydrophobicContact CD1-CD1 4.12Å; Y238-L313 HydrophobicContact CD2-CD1 4.31Å; Y238-L313 HydrophobicContact CE1-CB 3.9Å; Y238-L313 HydrophobicContact CE1-CD1 3.67Å; Y238-L313 HydrophobicContact CE1-CG 4.41Å; Y238-L313 HydrophobicContact CE2-CD1 3.9Å; Y238-L313 HydrophobicContact CG-CD1 4.44Å
239I98.6Very high97.4Very high21 Ų2128.6 Ų28.611%0.10816%0.156CC..EExtended strand (participates in β ladder)trans-100.3121.2168.6-64179.3000107.1G280 I281 G311 Y312 L314I239-G280 WeakPolarHBondContact CA-O 3.27Å; I239-I281 HydrophobicContact CG1-CG1 4.3Å; I239-G311 CarbonylContact O-C 3.58Å; I239-G311 WeakPolarHBondContact O-CA 3.41Å; I239-Y312 HydrophobicContact CB-CD1 4.48Å; I239-Y312 HydrophobicContact CB-CE1 4.01Å; I239-Y312 HydrophobicContact CB-CE2 4.19Å; I239-Y312 HydrophobicContact CD1-CE2 3.92Å; I239-Y312 WeakPolarHBondContact CD1-OH 3.18Å; I239-Y312 HydrophobicContact CG1-CE2 4.4Å; I239-Y312 HydrophobicContact CG2-CE1 3.99Å; I239-Y312 PolarHBondContact N-O 3.07Å; I239-Y312 PolarHBondContact O-N 2.86Å; I239-L314 HydrophobicContact CD1-CB 4.38Å; I239-L314 HydrophobicContact CD1-CD1 3.92Å; I239-L314 HydrophobicContact CD1-CD2 4.14Å; I239-L314 HydrophobicContact CD1-CG 4.36Å; I239-L314 HydrophobicContact CG1-CB 4.34Å; I239-L314 HydrophobicContact CG1-CD2 4.47Å
240L98.7Very high97.3Very high0 Ų028.6 Ų28.60%016%0.16CC..EExtended strand (participates in β ladder)trans-116129176.8-58.1-175.1000109.1F191 F230 L256 Q279 G280 L282 M284 A290 F309 S310F191-L240 HydrophobicContact CE1-CD2 3.97Å; F191-L240 HydrophobicContact CZ-CD2 4.2Å; F230-L240 HydrophobicContact CD1-CD2 4.46Å; L240-L256 HydrophobicContact CB-CD2 4.14Å; L240-L256 HydrophobicContact CD1-CD1 4.16Å; L240-L256 HydrophobicContact CD1-CD2 4.16Å; L240-Q279 CarbonylContact O-C 3.51Å; L240-Q279 VanDerWaalsContact O-CA 3.28Å; L240-Q279 WeakPolarHBondContact O-CA 3.47Å; L240-G280 PolarHBondContact N-O 2.98Å; L240-G280 PolarHBondContact O-N 2.83Å; L240-L282 HydrophobicContact CD1-CD1 3.93Å; L240-M284 HydrophobicContact CD1-SD 4.42Å; L240-A290 HydrophobicContact CD1-CB 3.42Å; L240-A290 VanDerWaalsContact CD1-CB 3.42Å; L240-F309 HydrophobicContact CB-CE2 4.28Å; L240-F309 HydrophobicContact CD1-CZ 4.49Å; L240-S310 WeakPolarHBondContact CA-O 3.34Å
241F98.6Very high97.2Very high67 Ų6734.4 Ų34.429%0.29418%0.181SC..EExtended strand (participates in β ladder)trans-123.7134.8-177.5175.6-90.3000110.3A243 T277 Q279 F309 S310F241-A243 HydrophobicContact CE1-CB 3.94Å; F241-A243 HydrophobicContact CZ-CB 4.4Å; F241-T277 HydrophobicContact CE2-CG2 4.44Å; F241-T277 HydrophobicContact CZ-CG2 3.79Å; F241-Q279 HydrophobicContact CD2-CB 4.18Å; F241-F309 WeakPolarHBondContact O-CD2 3.45Å; F241-S310 PolarHBondContact N-O 3.26Å; F241-S310 PolarHBondContact O-N 3.03Å
242L98.6Very high97.2Very high1 Ų131 Ų311%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-129.5124.3-177.1-173.264000109.7M212 I244 V254 F264 V266 T277 N278 L292 T308 F309M212-L242 HydrophobicContact CE-CD1 4.12Å; L242-I244 HydrophobicContact CD1-CD1 3.75Å; L242-I244 HydrophobicContact CD1-CG1 4.42Å; L242-I244 HydrophobicContact CD2-CD1 4.22Å; L242-I244 HydrophobicContact CD2-CG1 4.2Å; L242-I244 HydrophobicContact CG-CD1 3.86Å; L242-I244 HydrophobicContact CG-CG1 3.96Å; L242-V254 HydrophobicContact CD2-CB 4.21Å; L242-V254 HydrophobicContact CD2-CG1 3.94Å; L242-F264 HydrophobicContact CB-CE2 4.23Å; L242-F264 HydrophobicContact CB-CZ 4.42Å; L242-F264 HydrophobicContact CD2-CE2 4.15Å; L242-V266 HydrophobicContact CB-CG2 4.29Å; L242-V266 HydrophobicContact CD2-CB 4.35Å; L242-V266 HydrophobicContact CD2-CG2 3.79Å; L242-V266 HydrophobicContact CG-CG2 4.18Å; L242-T277 VanDerWaalsContact O-CA 3.3Å; L242-T277 WeakPolarHBondContact O-CA 3.37Å; L242-N278 PolarHBondContact N-O 2.88Å; L242-N278 PolarHBondContact O-N 2.82Å; L242-L292 HydrophobicContact CD1-CD1 3.61Å; L242-L292 HydrophobicContact CD1-CD2 3.79Å; L242-L292 HydrophobicContact CD1-CG 4.37Å; L242-L292 HydrophobicContact CD2-CD2 3.81Å; L242-L292 HydrophobicContact CG-CD2 4.43Å; L242-T308 WeakPolarHBondContact CD1-O 3.41Å; L242-F309 HydrophobicContact CD1-CB 4.15Å; L242-F309 HydrophobicContact CD1-CD2 4.1Å; L242-F309 HydrophobicContact CD1-CG 4.41Å
243A98.8Very high97.1Very high9 Ų931 Ų317%0.07416%0.164CC..EExtended strand (participates in β ladder)trans-116123.5170.200000109.3F241 T275 A276 T277 S307 T308F241-A243 HydrophobicContact CE1-CB 3.94Å; F241-A243 HydrophobicContact CZ-CB 4.4Å; A243-T275 HydrophobicContact CB-CG2 4.49Å; A243-A276 WeakPolarHBondContact CA-O 3.5Å; A243-T277 HydrophobicContact CB-CG2 3.8Å; A243-S307 CarbonylContact O-C 3.2Å; A243-S307 VanDerWaalsContact O-CA 3.23Å; A243-S307 WeakPolarHBondContact O-CA 3.25Å; A243-T308 PolarHBondContact N-O 3.12Å; A243-T308 PolarHBondContact O-N 3.18Å
244I98.7Very high97.3Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-119.2124-178.5-59.8-55.6000109.3M212 L242 A252 V254 V266 S268 T275 A276 L301M212-I244 HydrophobicContact CE-CD1 4.14Å; L242-I244 HydrophobicContact CD1-CD1 3.75Å; L242-I244 HydrophobicContact CD1-CG1 4.42Å; L242-I244 HydrophobicContact CD2-CD1 4.22Å; L242-I244 HydrophobicContact CD2-CG1 4.2Å; L242-I244 HydrophobicContact CG-CD1 3.86Å; L242-I244 HydrophobicContact CG-CG1 3.96Å; I244-A252 HydrophobicContact CG2-CB 3.59Å; I244-V254 HydrophobicContact CD1-CB 3.7Å; I244-V254 HydrophobicContact CD1-CG1 4.23Å; I244-V254 HydrophobicContact CD1-CG2 3.48Å; I244-V254 VanDerWaalsContact CD1-CG2 3.48Å; I244-V254 HydrophobicContact CG1-CB 3.86Å; I244-V254 HydrophobicContact CG1-CG2 3.9Å; I244-V254 HydrophobicContact CG2-CG2 4.23Å; I244-V266 HydrophobicContact CB-CB 4.42Å; I244-V266 HydrophobicContact CB-CG1 3.83Å; I244-V266 HydrophobicContact CG1-CB 3.89Å; I244-V266 HydrophobicContact CG1-CG1 3.78Å; I244-S268 WeakPolarHBondContact O-CB 3.26Å; I244-T275 WeakPolarHBondContact O-CA 3.34Å; I244-A276 PolarHBondContact N-O 2.86Å; I244-A276 PolarHBondContact O-N 3.05Å; I244-L301 HydrophobicContact CD1-CD2 4.05Å; I244-L301 HydrophobicContact CG2-CD2 3.98Å
245S98.6Very high97.4Very high3 Ų330 Ų302%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-111.2141.7176.8-66.50000111.6A274 T275 H302 Y306 S307S245-A274 CarbonylContact C-O 3.5Å; S245-A274 VanDerWaalsContact CA-O 3.28Å; S245-A274 WeakPolarHBondContact CA-O 3.3Å; S245-T275 WeakPolarHBondContact OG-CB 3.42Å; S245-T275 WeakPolarHBondContact OG-CG2 3.46Å; S245-T275 PolarHBondContact OG-OG1 3.47Å; S245-H302 WeakPolarHBondContact O-CB 3.23Å; S245-H302 PolarHBondContact O-N 3.11Å; S245-Y306 VanDerWaalsContact CB-O 3.3Å; S245-Y306 WeakPolarHBondContact CB-O 3.38Å; S245-Y306 PolarHBondContact OG-O 2.72Å; S245-S307 PolarHBondContact N-OG 3.46Å; S245-S307 PolarHBondContact O-OG 3.08Å
246A98.3Very high97.6Very high1 Ų128.6 Ų28.61%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-121152.6170.800000109.2A252 S270 A274A246-A252 HydrophobicContact CB-CB 3.87Å; A246-S270 VanDerWaalsContact C-CB 3.49Å; A246-S270 VanDerWaalsContact O-CB 3.25Å; A246-S270 WeakPolarHBondContact O-CB 3.39Å; A246-A274 PolarHBondContact N-O 3.02Å; A246-A274 PolarHBondContact O-N 2.86Å; A246-A274 VanDerWaalsContact O-N 3.1Å
247Q96.4Very high97.7Very high66 Ų6629.3 Ų29.331%0.30815%0.148SC..EExtended strand (participates in β ladder)trans-140.3164.6172.467.1162.4600112.3S250 S270 P272 H302Q247-S250 WeakPolarHBondContact O-CB 3.21Å; Q247-S250 PolarHBondContact O-OG 2.79Å; Q247-S270 VanDerWaalsContact C-OG 3.25Å; Q247-S270 WeakPolarHBondContact CA-OG 3.37Å; Q247-S270 PolarHBondContact O-OG 2.91Å; Q247-P272 CarbonylContact C-O 3.26Å; Q247-P272 VanDerWaalsContact CA-O 3.23Å; Q247-P272 WeakPolarHBondContact CA-O 3.48Å; Q247-H302 VanDerWaalsContact CD-CE1 3.43Å; Q247-H302 HydrophobicContact CG-CB 4.24Å; Q247-H302 PolarHBondContact OE1-CE1 3.24Å; Q247-H302 VanDerWaalsContact OE1-CE1 3.27Å
248G95.1Very high97.8Very high57 Ų5730.1 Ų30.159%0.58815%0.151SC*.THydrogen-bonded Turntrans80.222.7168.900000115.3S250 P272G248-S250 VanDerWaalsContact C-N 3.3Å; G248-P272 PolarHBondContact N-O 2.85Å
249K95.8Very high97.7Very high166 Ų16632.1 Ų32.172%0.72216%0.162SC*.THydrogen-bonded Turntrans68.527-170.9-53.9-179.6179.7178.80114.1S270K249-S270 WeakPolarHBondContact CA-O 3.41Å; K249-S270 PolarHBondContact N-OG 3.16Å
250S96.5Very high97.5Very high29 Ų2937.4 Ų37.420%0.20319%0.186CC..  trans-103.1168.5177.8-53.70000112.4Q247 G248 S270Q247-S250 WeakPolarHBondContact O-CB 3.21Å; Q247-S250 PolarHBondContact O-OG 2.79Å; G248-S250 VanDerWaalsContact C-N 3.3Å; S250-S270 PolarHBondContact N-OG 2.88Å; S250-S270 PolarHBondContact O-N 3.47Å; S250-S270 PolarHBondContact O-OG 3.06Å
251R97.4Very high97.4Very high121 Ų12144.5 Ų44.546%0.45722%0.217SC..EExtended strand (participates in β ladder)trans-112.9135.2178-62.6175.2-177.9118.312.2110.5S268 E269 A298 F300R251-S268 WeakPolarHBondContact CA-O 3.16Å; R251-E269 HydrophobicContact CG-CB 4.19Å; R251-E269 HydrophobicContact CG-CG 3.9Å; R251-E269 IonicContact CZ-OE1 2.72Å; R251-E269 IonicContact NE-OE1 3.17Å; R251-E269 PolarHBondContact NE-OE1 2.89Å; R251-E269 IonicContact NE-OE2 3.59Å; R251-E269 PolarHBondContact NE-OE2 3.07Å; R251-E269 VanDerWaalsContact NE-OE2 3.17Å; R251-E269 IonicContact NH2-OE1 2.85Å; R251-E269 PolarHBondContact NH2-OE1 2.74Å; R251-A298 HydrophobicContact CB-CB 3.88Å; R251-A298 CarbonylContact O-C 3.55Å; R251-A298 WeakPolarHBondContact O-CA 3.4Å; R251-F300 PolarHBondContact O-N 2.87Å; R251-F300 VanDerWaalsContact O-N 3.16Å
252A98Very high97.3Very high0 Ų045.5 Ų45.50%022%0.223CC..EExtended strand (participates in β ladder)trans-124.1125.1171.100000109.2I244 A246 S268 A298 L301I244-A252 HydrophobicContact CG2-CB 3.59Å; A246-A252 HydrophobicContact CB-CB 3.87Å; A252-S268 PolarHBondContact N-O 3.43Å; A252-S268 PolarHBondContact O-N 2.97Å; A252-A298 CarbonylContact C-O 3.55Å; A252-A298 WeakPolarHBondContact CA-O 3.23Å; A252-L301 HydrophobicContact CB-CG 4.16Å
253V97.2Very high97.3Very high0 Ų048 Ų480%024%0.236CC..EExtended strand (participates in β ladder)trans-132.4121.6175-177.80000109.4D265 V266 W267 R295 A298V253-D265 HydrophobicContact CG1-CB 4.25Å; V253-V266 VanDerWaalsContact CA-O 3.3Å; V253-V266 WeakPolarHBondContact CA-O 3.49Å; V253-W267 HydrophobicContact CB-CE3 4.35Å; V253-W267 HydrophobicContact CG1-CE3 4.15Å; V253-W267 HydrophobicContact CG2-CB 4.18Å; V253-W267 HydrophobicContact CG2-CD2 3.41Å; V253-W267 VanDerWaalsContact CG2-CD2 3.41Å; V253-W267 HydrophobicContact CG2-CE3 3.24Å; V253-W267 HydrophobicContact CG2-CG 3.85Å; V253-W267 HydrophobicContact CG2-CH2 4.34Å; V253-W267 HydrophobicContact CG2-CZ2 4.49Å; V253-W267 HydrophobicContact CG2-CZ3 3.75Å; V253-R295 HydrophobicContact CB-CB 3.89Å; V253-R295 HydrophobicContact CG1-CB 3.81Å; V253-R295 HydrophobicContact CG1-CG 4.39Å; V253-R295 PolarHBondContact O-N 3.49Å; V253-A298 HydrophobicContact CB-CB 3.87Å; V253-A298 HydrophobicContact CG2-CB 3.51Å; V253-A298 PolarHBondContact N-O 3.34Å
254V98Very high97.3Very high0 Ų048.8 Ų48.80%024%0.237CC..EExtended strand (participates in β ladder)trans-125.2139.1178.4-177.50000110L210 L242 I244 D265 V266 L292 A293 L301L210-V254 HydrophobicContact CD2-CB 4.44Å; L210-V254 HydrophobicContact CD2-CG1 3.93Å; L210-V254 HydrophobicContact CD2-CG2 3.6Å; L242-V254 HydrophobicContact CD2-CB 4.21Å; L242-V254 HydrophobicContact CD2-CG1 3.94Å; I244-V254 HydrophobicContact CD1-CB 3.7Å; I244-V254 HydrophobicContact CD1-CG1 4.23Å; I244-V254 HydrophobicContact CD1-CG2 3.48Å; I244-V254 VanDerWaalsContact CD1-CG2 3.48Å; I244-V254 HydrophobicContact CG1-CB 3.86Å; I244-V254 HydrophobicContact CG1-CG2 3.9Å; I244-V254 HydrophobicContact CG2-CG2 4.23Å; V254-D265 CarbonylContact O-C 3.42Å; V254-D265 WeakPolarHBondContact O-CA 3.48Å; V254-V266 PolarHBondContact N-O 2.74Å; V254-V266 VanDerWaalsContact N-O 3.11Å; V254-V266 PolarHBondContact O-N 2.64Å; V254-L292 HydrophobicContact CG1-CB 3.8Å; V254-L292 HydrophobicContact CG1-CD1 4.37Å; V254-L292 HydrophobicContact CG1-CD2 4.13Å; V254-L292 HydrophobicContact CG1-CG 4.33Å; V254-A293 WeakPolarHBondContact CA-O 3.37Å; V254-L301 HydrophobicContact CG2-CD1 4.36Å; V254-L301 HydrophobicContact CG2-CD2 3.68Å; V254-L301 HydrophobicContact CG2-CG 4.45Å
255R97.3Very high97.2Very high45 Ų4551.3 Ų51.317%0.1725%0.251CS..EExtended strand (participates in β ladder)trans-100.8135.6177.2-175.2171.8-65.2157.7-2.3111M257 Q262 F264 D265 L292 A293R255-M257 WeakPolarHBondContact CD-SD 3.48Å; R255-M257 HydrophobicContact CG-CG 4.26Å; R255-M257 HydrophobicContact CG-SD 3.63Å; R255-Q262 HydrophobicContact CG-CB 4.39Å; R255-Q262 HydrophobicContact CG-CG 3.83Å; R255-Q262 VanDerWaalsContact CZ-OE1 3.22Å; R255-F264 WeakPolarHBondContact CA-O 3.37Å; R255-D265 WeakPolarHBondContact CB-OD1 3.33Å; R255-D265 VanDerWaalsContact CG-OD1 3.23Å; R255-D265 WeakPolarHBondContact CG-OD1 3.5Å; R255-D265 IonicContact CZ-OD1 2.85Å; R255-D265 IonicContact NE-OD1 3.2Å; R255-D265 PolarHBondContact NE-OD1 3.05Å; R255-D265 IonicContact NH2-OD1 2.72Å; R255-D265 IonicContact NH2-OD2 2.85Å; R255-L292 WeakPolarHBondContact O-CA 3.37Å; R255-A293 HydrophobicContact CB-CB 4.27Å; R255-A293 PolarHBondContact N-O 2.92Å; R255-A293 PolarHBondContact O-N 2.9Å
256L98.4Very high97.2Very high0 Ų051.3 Ų51.30%025%0.251CS..EExtended strand (participates in β ladder)trans-84.3120.4160.9-177.766000109.2L240 I263 F264 L282 A290 L292 F309L240-L256 HydrophobicContact CB-CD2 4.14Å; L240-L256 HydrophobicContact CD1-CD1 4.16Å; L240-L256 HydrophobicContact CD1-CD2 4.16Å; L256-I263 HydrophobicContact CD2-CB 4.42Å; L256-I263 HydrophobicContact CD2-CG2 4.43Å; L256-I263 HydrophobicContact CG-CB 4.47Å; L256-I263 PolarHBondContact O-N 2.92Å; L256-F264 HydrophobicContact CB-CD1 4.46Å; L256-F264 HydrophobicContact CB-CD2 4.14Å; L256-F264 HydrophobicContact CB-CE1 4.1Å; L256-F264 HydrophobicContact CB-CE2 3.76Å; L256-F264 HydrophobicContact CB-CG 4.46Å; L256-F264 HydrophobicContact CB-CZ 3.75Å; L256-F264 HydrophobicContact CD2-CD1 4.26Å; L256-F264 HydrophobicContact CD2-CE1 3.43Å; L256-F264 VanDerWaalsContact CD2-CE1 3.43Å; L256-F264 HydrophobicContact CD2-CE2 4.4Å; L256-F264 HydrophobicContact CD2-CZ 3.52Å; L256-F264 HydrophobicContact CG-CE1 4.41Å; L256-F264 HydrophobicContact CG-CZ 4.27Å; L256-F264 PolarHBondContact N-O 3.47Å; L256-L282 HydrophobicContact CD2-CD1 4.46Å; L256-A290 HydrophobicContact CD1-CB 4.48Å; L256-L292 HydrophobicContact CD1-CD2 3.95Å; L256-F309 HydrophobicContact CD1-CE2 3.84Å; L256-F309 HydrophobicContact CD1-CZ 3.92Å
257M97.8Very high97.2Very high17 Ų1757.3 Ų57.38%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-102.4138.8173.8-61.3-61.9-68.600109.9R255 E260 K261 Q262 A290 W291 A293R255-M257 WeakPolarHBondContact CD-SD 3.48Å; R255-M257 HydrophobicContact CG-CG 4.26Å; R255-M257 HydrophobicContact CG-SD 3.63Å; M257-E260 WeakPolarHBondContact CE-O 3.47Å; M257-K261 WeakPolarHBondContact CA-O 3.46Å; M257-Q262 HydrophobicContact SD-CB 4.29Å; M257-A290 VanDerWaalsContact O-CA 3.24Å; M257-A290 WeakPolarHBondContact O-CA 3.38Å; M257-W291 HydrophobicContact CB-CD2 3.77Å; M257-W291 HydrophobicContact CB-CE3 4.43Å; M257-W291 HydrophobicContact CB-CG 4Å; M257-W291 HydrophobicContact CB-CZ2 4Å; M257-W291 WeakPolarHBondContact CB-O 3.2Å; M257-W291 HydrophobicContact CE-CZ2 4.11Å; M257-W291 HydrophobicContact CG-CD2 3.99Å; M257-W291 HydrophobicContact CG-CE3 4.17Å; M257-W291 HydrophobicContact CG-CH2 4.03Å; M257-W291 HydrophobicContact CG-CZ2 3.8Å; M257-W291 HydrophobicContact CG-CZ3 4.2Å; M257-W291 PolarHBondContact N-O 3.32Å; M257-W291 PolarHBondContact O-N 3.09Å; M257-A293 HydrophobicContact CG-CB 4.25Å
258H98.1Very high97.3Very high30 Ų3054.2 Ų54.214%0.13926%0.259CS..EExtended strand (participates in β ladder)trans-117.9112.9165.6175.3-163.2000107.6E260 K261 I263 L282 Q283 D288 R289H258-E260 PolarHBondContact O-N 2.94Å; H258-E260 VanDerWaalsContact O-N 3.16Å; H258-K261 PolarHBondContact N-O 3.36Å; H258-K261 WeakPolarHBondContact O-CB 3.48Å; H258-K261 PolarHBondContact O-N 3.07Å; H258-I263 HydrophobicContact CB-CD1 3.81Å; H258-I263 HydrophobicContact CB-CG1 3.72Å; H258-L282 HydrophobicContact CB-CD1 4.16Å; H258-Q283 PolarHBondContact CE1-O 2.97Å; H258-D288 IonicContact CE1-OD2 3.72Å; H258-D288 IonicContact NE2-OD2 3.73Å; H258-D288 PolarHBondContact NE2-OD2 2.95Å; H258-R289 CarbonylContact C-O 3.23Å; H258-R289 WeakPolarHBondContact CA-O 3.34Å
259N97.1Very high97.4Very high42 Ų4256.1 Ų56.123%0.22525%0.253CS..THydrogen-bonded Turntrans48.4-117.6-161.5-62.2-39.3000109.2D288 R289 W291N259-D288 PolarHBondContact ND2-OD1 3.46Å; N259-R289 PolarHBondContact N-O 3.42Å; N259-R289 PolarHBondContact OD1-N 3.34Å; N259-W291 PolarHBondContact O-NE1 3.05Å
260E95.1Very high97.5Very high132 Ų13248.5 Ų48.562%0.61722%0.221SC*.THydrogen-bonded Turntrans-101.58.1177.9-47.2-47.1138.200113.3M257 H258 R289M257-E260 WeakPolarHBondContact CE-O 3.47Å; H258-E260 PolarHBondContact O-N 2.94Å; H258-E260 VanDerWaalsContact O-N 3.16Å; E260-R289 IonicContact OE1-CZ 2.91Å; E260-R289 IonicContact OE1-NH2 3.69Å; E260-R289 PolarHBondContact OE1-NH2 3.4Å
261K96.8Very high97.4Very high149 Ų14951.9 Ų51.965%0.64824%0.244SC*.EExtended strand (participates in β ladder)trans-98.1129.7-179.3-174.9179.1175.8-175.60111.2M257 H258M257-K261 WeakPolarHBondContact CA-O 3.46Å; H258-K261 PolarHBondContact N-O 3.36Å; H258-K261 WeakPolarHBondContact O-CB 3.48Å; H258-K261 PolarHBondContact O-N 3.07Å
262Q96.3Very high97.2Very high87 Ų8749.1 Ų49.141%0.40724%0.242SC..EExtended strand (participates in β ladder)trans-66.4130.9167.8174.3167.2-5.300110.8R255 M257 D265R255-Q262 HydrophobicContact CG-CB 4.39Å; R255-Q262 HydrophobicContact CG-CG 3.83Å; R255-Q262 VanDerWaalsContact CZ-OE1 3.22Å; M257-Q262 HydrophobicContact SD-CB 4.29Å; Q262-D265 PolarHBondContact NE2-OD1 3.27Å; Q262-D265 PolarHBondContact NE2-OD2 2.84Å
263I97.8Very high97.2Very high55 Ų5557.8 Ų57.828%0.28227%0.274SS..EExtended strand (participates in β ladder)trans-99.6-58172.5-57.5-55.3000110.6L256 H258 L282L256-I263 HydrophobicContact CD2-CB 4.42Å; L256-I263 HydrophobicContact CD2-CG2 4.43Å; L256-I263 HydrophobicContact CG-CB 4.47Å; L256-I263 PolarHBondContact O-N 2.92Å; H258-I263 HydrophobicContact CB-CD1 3.81Å; H258-I263 HydrophobicContact CB-CG1 3.72Å; I263-L282 HydrophobicContact CD1-CD2 3.94Å; I263-L282 HydrophobicContact CG1-CD1 4.18Å; I263-L282 HydrophobicContact CG1-CD2 4.1Å; I263-L282 HydrophobicContact CG2-CD2 3.98Å
264F97.8Very high97.2Very high24 Ų2459.1 Ų59.111%0.10529%0.285CS..EExtended strand (participates in β ladder)trans-152.5161.4173.959.8-108.2000111.5L242 R255 L256 V266 N278 Q279L242-F264 HydrophobicContact CB-CE2 4.23Å; L242-F264 HydrophobicContact CB-CZ 4.42Å; L242-F264 HydrophobicContact CD2-CE2 4.15Å; R255-F264 WeakPolarHBondContact CA-O 3.37Å; L256-F264 HydrophobicContact CB-CD1 4.46Å; L256-F264 HydrophobicContact CB-CD2 4.14Å; L256-F264 HydrophobicContact CB-CE1 4.1Å; L256-F264 HydrophobicContact CB-CE2 3.76Å; L256-F264 HydrophobicContact CB-CG 4.46Å; L256-F264 HydrophobicContact CB-CZ 3.75Å; L256-F264 HydrophobicContact CD2-CD1 4.26Å; L256-F264 HydrophobicContact CD2-CE1 3.43Å; L256-F264 VanDerWaalsContact CD2-CE1 3.43Å; L256-F264 HydrophobicContact CD2-CE2 4.4Å; L256-F264 HydrophobicContact CD2-CZ 3.52Å; L256-F264 HydrophobicContact CG-CE1 4.41Å; L256-F264 HydrophobicContact CG-CZ 4.27Å; L256-F264 PolarHBondContact N-O 3.47Å; F264-V266 HydrophobicContact CD2-CG2 3.84Å; F264-V266 HydrophobicContact CE2-CG2 3.61Å; F264-N278 HydrophobicContact CD2-CB 3.93Å; F264-N278 HydrophobicContact CE2-CB 3.78Å; F264-N278 HydrophobicContact CG-CB 4.48Å; F264-N278 HydrophobicContact CZ-CB 4.19Å; F264-Q279 VanDerWaalsContact CE1-C 3.45Å
265D97.6Very high97.2Very high53 Ų5363.2 Ų63.228%0.28331%0.311SS..EExtended strand (participates in β ladder)trans-103.3149.1164.8-68.8-19.2000109.6V253 V254 R255 Q262V253-D265 HydrophobicContact CG1-CB 4.25Å; V254-D265 CarbonylContact O-C 3.42Å; V254-D265 WeakPolarHBondContact O-CA 3.48Å; R255-D265 WeakPolarHBondContact CB-OD1 3.33Å; R255-D265 VanDerWaalsContact CG-OD1 3.23Å; R255-D265 WeakPolarHBondContact CG-OD1 3.5Å; R255-D265 IonicContact CZ-OD1 2.85Å; R255-D265 IonicContact NE-OD1 3.2Å; R255-D265 PolarHBondContact NE-OD1 3.05Å; R255-D265 IonicContact NH2-OD1 2.72Å; R255-D265 IonicContact NH2-OD2 2.85Å; Q262-D265 PolarHBondContact NE2-OD1 3.27Å; Q262-D265 PolarHBondContact NE2-OD2 2.84Å
266V98.4Very high97.3Very high4 Ų462.3 Ų62.32%0.02431%0.313CS..EExtended strand (participates in β ladder)trans-115.5118.4168.7-179.40000107.7L242 I244 V253 V254 F264 A276 N278L242-V266 HydrophobicContact CB-CG2 4.29Å; L242-V266 HydrophobicContact CD2-CB 4.35Å; L242-V266 HydrophobicContact CD2-CG2 3.79Å; L242-V266 HydrophobicContact CG-CG2 4.18Å; I244-V266 HydrophobicContact CB-CB 4.42Å; I244-V266 HydrophobicContact CB-CG1 3.83Å; I244-V266 HydrophobicContact CG1-CB 3.89Å; I244-V266 HydrophobicContact CG1-CG1 3.78Å; V253-V266 VanDerWaalsContact CA-O 3.3Å; V253-V266 WeakPolarHBondContact CA-O 3.49Å; V254-V266 PolarHBondContact N-O 2.74Å; V254-V266 VanDerWaalsContact N-O 3.11Å; V254-V266 PolarHBondContact O-N 2.64Å; F264-V266 HydrophobicContact CD2-CG2 3.84Å; F264-V266 HydrophobicContact CE2-CG2 3.61Å; V266-A276 HydrophobicContact CG1-CB 3.7Å; V266-A276 WeakPolarHBondContact CG1-O 3.46Å; V266-N278 HydrophobicContact CG2-CB 3.6Å
267W98.2Very high97.3Very high126 Ų12666.5 Ų66.548%0.47734%0.338SS..EExtended strand (participates in β ladder)trans-109.6119.6-176.4-174.9-67.7000110.9V253 A276V253-W267 HydrophobicContact CB-CE3 4.35Å; V253-W267 HydrophobicContact CG1-CE3 4.15Å; V253-W267 HydrophobicContact CG2-CB 4.18Å; V253-W267 HydrophobicContact CG2-CD2 3.41Å; V253-W267 VanDerWaalsContact CG2-CD2 3.41Å; V253-W267 HydrophobicContact CG2-CE3 3.24Å; V253-W267 HydrophobicContact CG2-CG 3.85Å; V253-W267 HydrophobicContact CG2-CH2 4.34Å; V253-W267 HydrophobicContact CG2-CZ2 4.49Å; V253-W267 HydrophobicContact CG2-CZ3 3.75Å; W267-A276 WeakPolarHBondContact O-CB 3.28Å
268S98.3Very high97.3Very high2 Ų268.9 Ų68.91%0.01435%0.351CS..EExtended strand (participates in β ladder)trans-120.9126172.7-173.90000110.7I244 R251 A252 A274I244-S268 WeakPolarHBondContact O-CB 3.26Å; R251-S268 WeakPolarHBondContact CA-O 3.16Å; A252-S268 PolarHBondContact N-O 3.43Å; A252-S268 PolarHBondContact O-N 2.97Å; S268-A274 VanDerWaalsContact OG-C 3.25Å; S268-A274 WeakPolarHBondContact OG-CB 3.23Å; S268-A274 PolarHBondContact OG-O 3.21Å
269E97.9Very high97.3Very high96 Ų9672.8 Ų72.845%0.44937%0.37SS..EExtended strand (participates in β ladder)trans-125.1120175.1179.2157.5-169.400109R251 A274R251-E269 HydrophobicContact CG-CB 4.19Å; R251-E269 HydrophobicContact CG-CG 3.9Å; R251-E269 IonicContact CZ-OE1 2.72Å; R251-E269 IonicContact NE-OE1 3.17Å; R251-E269 PolarHBondContact NE-OE1 2.89Å; R251-E269 IonicContact NE-OE2 3.59Å; R251-E269 PolarHBondContact NE-OE2 3.07Å; R251-E269 VanDerWaalsContact NE-OE2 3.17Å; R251-E269 IonicContact NH2-OE1 2.85Å; R251-E269 PolarHBondContact NH2-OE1 2.74Å; E269-A274 WeakPolarHBondContact O-CB 3.41Å
270S96.9Very high97.4Very high7 Ų771.1 Ų71.15%0.04936%0.363CS..  trans-96.5144.9-164.261.30000113.9A246 Q247 K249 S250A246-S270 VanDerWaalsContact C-CB 3.49Å; A246-S270 VanDerWaalsContact O-CB 3.25Å; A246-S270 WeakPolarHBondContact O-CB 3.39Å; Q247-S270 VanDerWaalsContact C-OG 3.25Å; Q247-S270 WeakPolarHBondContact CA-OG 3.37Å; Q247-S270 PolarHBondContact O-OG 2.91Å; K249-S270 WeakPolarHBondContact CA-O 3.41Å; K249-S270 PolarHBondContact N-OG 3.16Å; S250-S270 PolarHBondContact N-OG 2.88Å; S250-S270 PolarHBondContact O-N 3.47Å; S250-S270 PolarHBondContact O-OG 3.06Å
271S95Very high97.5Very high99 Ų9969.9 Ų69.969%0.69236%0.359SS*.SBendtrans-155.783.8168.6-166.70000112.4
272P94Very high97.5Very high63 Ų6363.7 Ų63.741%0.40933%0.333SS..SBendcis-89.1-3.3-8.836.1-32.4000113.3Q247 G248Q247-P272 CarbonylContact C-O 3.26Å; Q247-P272 VanDerWaalsContact CA-O 3.23Å; Q247-P272 WeakPolarHBondContact CA-O 3.48Å; G248-P272 PolarHBondContact N-O 2.85Å
273W96.9Very high97.5Very high182 Ų18261.6 Ų61.669%0.68932%0.323SS*.EExtended strand (participates in β ladder)trans-126.4148.8171.7-59.4-76.3000109.8
274A98.3Very high97.5Very high28 Ų2859 Ų5923%0.23131%0.31CS..EExtended strand (participates in β ladder)trans-154.3149.616500000110.5S245 A246 S268 E269S245-A274 CarbonylContact C-O 3.5Å; S245-A274 VanDerWaalsContact CA-O 3.28Å; S245-A274 WeakPolarHBondContact CA-O 3.3Å; A246-A274 PolarHBondContact N-O 3.02Å; A246-A274 PolarHBondContact O-N 2.86Å; A246-A274 VanDerWaalsContact O-N 3.1Å; S268-A274 VanDerWaalsContact OG-C 3.25Å; S268-A274 WeakPolarHBondContact OG-CB 3.23Å; S268-A274 PolarHBondContact OG-O 3.21Å; E269-A274 WeakPolarHBondContact O-CB 3.41Å
275T98.4Very high97.4Very high87 Ų8763.9 Ų63.953%0.53433%0.329SS..EExtended strand (participates in β ladder)trans-128.6132.6172.2-53.30000108.1A243 I244 S245 T277A243-T275 HydrophobicContact CB-CG2 4.49Å; I244-T275 WeakPolarHBondContact O-CA 3.34Å; S245-T275 WeakPolarHBondContact OG-CB 3.42Å; S245-T275 WeakPolarHBondContact OG-CG2 3.46Å; S245-T275 PolarHBondContact OG-OG1 3.47Å; T275-T277 HydrophobicContact CG2-CG2 4.42Å
276A98.5Very high97.3Very high25 Ų2568.7 Ų68.721%0.20735%0.347CS..EExtended strand (participates in β ladder)trans-118.4147.9170.100000109.5A243 I244 V266 W267A243-A276 WeakPolarHBondContact CA-O 3.5Å; I244-A276 PolarHBondContact N-O 2.86Å; I244-A276 PolarHBondContact O-N 3.05Å; V266-A276 HydrophobicContact CG1-CB 3.7Å; V266-A276 WeakPolarHBondContact CG1-O 3.46Å; W267-A276 WeakPolarHBondContact O-CB 3.28Å
277T98.5Very high97.3Very high88 Ų8870.4 Ų70.454%0.5437%0.365SS..EExtended strand (participates in β ladder)trans-132.8146.1-177.558.70000110.6F241 L242 A243 T275F241-T277 HydrophobicContact CE2-CG2 4.44Å; F241-T277 HydrophobicContact CZ-CG2 3.79Å; L242-T277 VanDerWaalsContact O-CA 3.3Å; L242-T277 WeakPolarHBondContact O-CA 3.37Å; A243-T277 HydrophobicContact CB-CG2 3.8Å; T275-T277 HydrophobicContact CG2-CG2 4.42Å
278N98.3Very high97.3Very high67 Ų6765.6 Ų65.636%0.35835%0.349SS..EExtended strand (participates in β ladder)trans-151160.8169-158.1-2.2000110.1L242 F264 V266L242-N278 PolarHBondContact N-O 2.88Å; L242-N278 PolarHBondContact O-N 2.82Å; F264-N278 HydrophobicContact CD2-CB 3.93Å; F264-N278 HydrophobicContact CE2-CB 3.78Å; F264-N278 HydrophobicContact CG-CB 4.48Å; F264-N278 HydrophobicContact CZ-CB 4.19Å; V266-N278 HydrophobicContact CG2-CB 3.6Å
279Q97.9Very high97.3Very high113 Ų11369.3 Ų69.353%0.52836%0.363SS..EExtended strand (participates in β ladder)trans-135.1147.7-178.870.2178.929.800111.8L240 F241 F264L240-Q279 CarbonylContact O-C 3.51Å; L240-Q279 VanDerWaalsContact O-CA 3.28Å; L240-Q279 WeakPolarHBondContact O-CA 3.47Å; F241-Q279 HydrophobicContact CD2-CB 4.18Å; F264-Q279 VanDerWaalsContact CE1-C 3.45Å
280G97.7Very high97.4Very high7 Ų764.8 Ų64.87%0.07234%0.341CS..EExtended strand (participates in β ladder)trans-122.1137.6175.100000110I239 L240I239-G280 WeakPolarHBondContact CA-O 3.27Å; L240-G280 PolarHBondContact N-O 2.98Å; L240-G280 PolarHBondContact O-N 2.83Å
281I98.2Very high97.4Very high106 Ų10665.4 Ų65.454%0.54434%0.343SS..EExtended strand (participates in β ladder)trans-109.5111.3168.2-52.3-176.4000105.3I237 Y238 I239I237-I281 HydrophobicContact CG2-CG2 3.45Å; I237-I281 VanDerWaalsContact CG2-CG2 3.45Å; Y238-I281 WeakPolarHBondContact O-CA 3.39Å; I239-I281 HydrophobicContact CG1-CG1 4.3Å
282L97.2Very high97.6Very high19 Ų1960.7 Ų60.710%0.09931%0.31CS..EExtended strand (participates in β ladder)trans-122.6131.4-170.7-63.3179.3000110.8I237 Y238 L240 L256 H258 I263 M284I237-L282 WeakPolarHBondContact CA-O 3.5Å; Y238-L282 PolarHBondContact N-O 3.34Å; Y238-L282 PolarHBondContact O-N 2.97Å; L240-L282 HydrophobicContact CD1-CD1 3.93Å; L256-L282 HydrophobicContact CD2-CD1 4.46Å; H258-L282 HydrophobicContact CB-CD1 4.16Å; I263-L282 HydrophobicContact CD1-CD2 3.94Å; I263-L282 HydrophobicContact CG1-CD1 4.18Å; I263-L282 HydrophobicContact CG1-CD2 4.1Å; I263-L282 HydrophobicContact CG2-CD2 3.98Å; L282-M284 HydrophobicContact CB-CG 3.92Å; L282-M284 HydrophobicContact CB-SD 4.45Å; L282-M284 PolarHBondContact O-N 3.07Å
283Q96.3Very high97.7Very high43 Ų4357.8 Ų57.820%0.20129%0.291CS..EExtended strand (participates in β ladder)trans-73.5119.6157.9-176.2172.4-2.600108G236 I237 H258 Y285 I317 I325G236-Q283 WeakPolarHBondContact O-CA 3.3Å; I237-Q283 HydrophobicContact CD1-CB 3.64Å; I237-Q283 HydrophobicContact CD1-CG 4.1Å; H258-Q283 PolarHBondContact CE1-O 2.97Å; Q283-Y285 PolarHBondContact NE2-OH 3.28Å; Q283-Y285 VanDerWaalsContact NE2-OH 3.11Å; Q283-I317 HydrophobicContact CG-CD1 4.07Å; Q283-I325 HydrophobicContact CB-CD1 4.19Å
284M97.3Very high97.7Very high0 Ų049.5 Ų49.50%026%0.26CS..EExtended strand (participates in β ladder)trans-125.5134.9177.2-57.4-178.268.800109.3F230 A232 N235 G236 Y238 L240 L282 D288 A290F230-M284 HydrophobicContact CD1-CE 4.17Å; F230-M284 HydrophobicContact CD1-SD 4.37Å; F230-M284 HydrophobicContact CE1-CE 4.25Å; F230-M284 HydrophobicContact CE1-SD 4.07Å; A232-M284 HydrophobicContact CB-CB 3.89Å; A232-M284 HydrophobicContact CB-CE 4.15Å; N235-M284 WeakPolarHBondContact CA-O 3.28Å; G236-M284 PolarHBondContact N-O 2.9Å; G236-M284 PolarHBondContact O-N 2.85Å; Y238-M284 HydrophobicContact CD2-CB 3.67Å; Y238-M284 HydrophobicContact CD2-CG 3.94Å; Y238-M284 HydrophobicContact CD2-SD 4.03Å; Y238-M284 HydrophobicContact CE2-CB 3.86Å; Y238-M284 HydrophobicContact CG-SD 4.19Å; L240-M284 HydrophobicContact CD1-SD 4.42Å; L282-M284 HydrophobicContact CB-CG 3.92Å; L282-M284 HydrophobicContact CB-SD 4.45Å; L282-M284 PolarHBondContact O-N 3.07Å; M284-D288 WeakPolarHBondContact CA-OD2 3.48Å; M284-D288 HydrophobicContact CB-CB 4.08Å; M284-D288 HydrophobicContact CE-CB 3.75Å; M284-A290 HydrophobicContact CE-CB 3.9Å; M284-A290 HydrophobicContact SD-CB 4.45Å
285Y96.4Very high97.5Very high127 Ų12753.4 Ų53.450%0.49827%0.269SS..  trans-88.3156.5170.9-67.2-80.9000110.3A232 N235 Q283 G287 D288A232-Y285 WeakPolarHBondContact CB-O 3.24Å; N235-Y285 HydrophobicContact CB-CD1 4.47Å; N235-Y285 WeakPolarHBondContact OD1-CA 3.39Å; Q283-Y285 PolarHBondContact NE2-OH 3.28Å; Q283-Y285 VanDerWaalsContact NE2-OH 3.11Å; Y285-G287 PolarHBondContact O-N 3.27Å; Y285-G287 VanDerWaalsContact O-N 3.17Å; Y285-D288 PolarHBondContact N-OD2 2.93Å; Y285-D288 WeakPolarHBondContact O-CB 3.36Å; Y285-D288 PolarHBondContact O-N 3.14Å
286K95.8Very high97Very high153 Ų15353.8 Ų53.867%0.66527%0.268SS*.THydrogen-bonded Turntrans-54.9121.9177.4177.3173.4-176.3172.70110.8A232 P233 N235A232-K286 CarbonylContact O-C 3.54Å; A232-K286 WeakPolarHBondContact O-CA 3.32Å; P233-K286 VanDerWaalsContact O-CD 3.24Å; P233-K286 WeakPolarHBondContact O-CD 3.48Å; P233-K286 VanDerWaalsContact O-CE 3.31Å; P233-K286 WeakPolarHBondContact O-CE 3.41Å; P233-K286 WeakPolarHBondContact O-CG 3.41Å; N235-K286 WeakPolarHBondContact OD1-CB 3.37Å; N235-K286 PolarHBondContact OD1-N 3.42Å
287G97.7Very high96.5Very high40 Ų4055.3 Ų55.341%0.41229%0.286SS..THydrogen-bonded Turntrans95.7-9.3-176.300000114.9A232 Y285A232-G287 PolarHBondContact O-N 2.91Å; Y285-G287 PolarHBondContact O-N 3.27Å; Y285-G287 VanDerWaalsContact O-N 3.17Å
288D98.5Very high96.3Very high26 Ų2651.2 Ų51.214%0.13926%0.261CS..  trans-61.2140168-81.1-17.1000110.6I231 A232 H258 N259 M284 Y285I231-D288 WeakPolarHBondContact CA-O 2.97Å; A232-D288 PolarHBondContact N-O 3.48Å; H258-D288 IonicContact CE1-OD2 3.72Å; H258-D288 IonicContact NE2-OD2 3.73Å; H258-D288 PolarHBondContact NE2-OD2 2.95Å; N259-D288 PolarHBondContact ND2-OD1 3.46Å; M284-D288 WeakPolarHBondContact CA-OD2 3.48Å; M284-D288 HydrophobicContact CB-CB 4.08Å; M284-D288 HydrophobicContact CE-CB 3.75Å; Y285-D288 PolarHBondContact N-OD2 2.93Å; Y285-D288 WeakPolarHBondContact O-CB 3.36Å; Y285-D288 PolarHBondContact O-N 3.14Å
289R98.3Very high96.1Very high80 Ų8050.3 Ų50.330%0.30225%0.253SS..EExtended strand (participates in β ladder)trans-104135.6-179.9-57.8-177.4-61-71.51.4110.1F230 I231 H258 N259 E260F230-R289 CarbonylContact O-C 3.58Å; F230-R289 VanDerWaalsContact O-CA 3.32Å; F230-R289 WeakPolarHBondContact O-CA 3.42Å; I231-R289 HydrophobicContact CG1-CG 4.34Å; H258-R289 CarbonylContact C-O 3.23Å; H258-R289 WeakPolarHBondContact CA-O 3.34Å; N259-R289 PolarHBondContact N-O 3.42Å; N259-R289 PolarHBondContact OD1-N 3.34Å; E260-R289 IonicContact OE1-CZ 2.91Å; E260-R289 IonicContact OE1-NH2 3.69Å; E260-R289 PolarHBondContact OE1-NH2 3.4Å
290A98.6Very high96.1Very high0 Ų048.2 Ų48.20%024%0.242CC..EExtended strand (participates in β ladder)trans-115.1129.8161.300000109.7F230 L240 L256 M257 M284F230-A290 HydrophobicContact CB-CB 4.32Å; F230-A290 HydrophobicContact CD1-CB 4.16Å; F230-A290 PolarHBondContact N-O 3.11Å; F230-A290 PolarHBondContact O-N 2.97Å; L240-A290 HydrophobicContact CD1-CB 3.42Å; L240-A290 VanDerWaalsContact CD1-CB 3.42Å; L256-A290 HydrophobicContact CD1-CB 4.48Å; M257-A290 VanDerWaalsContact O-CA 3.24Å; M257-A290 WeakPolarHBondContact O-CA 3.38Å; M284-A290 HydrophobicContact CE-CB 3.9Å; M284-A290 HydrophobicContact SD-CB 4.45Å
291W98.3Very high96.1Very high21 Ų2148 Ų488%0.0824%0.239CC..EExtended strand (participates in β ladder)trans-150.2169-174.462.3-82.3000111.4K209 E229 M257 N259 A293K209-W291 HydrophobicContact CB-CE3 4.42Å; K209-W291 HydrophobicContact CB-CZ3 4.47Å; K209-W291 HydrophobicContact CD-CE3 4.15Å; K209-W291 HydrophobicContact CG-CE3 3.89Å; K209-W291 HydrophobicContact CG-CZ3 4.43Å; E229-W291 HydrophobicContact CB-CB 4.5Å; E229-W291 HydrophobicContact CG-CB 4.02Å; M257-W291 HydrophobicContact CB-CD2 3.77Å; M257-W291 HydrophobicContact CB-CE3 4.43Å; M257-W291 HydrophobicContact CB-CG 4Å; M257-W291 HydrophobicContact CB-CZ2 4Å; M257-W291 WeakPolarHBondContact CB-O 3.2Å; M257-W291 HydrophobicContact CE-CZ2 4.11Å; M257-W291 HydrophobicContact CG-CD2 3.99Å; M257-W291 HydrophobicContact CG-CE3 4.17Å; M257-W291 HydrophobicContact CG-CH2 4.03Å; M257-W291 HydrophobicContact CG-CZ2 3.8Å; M257-W291 HydrophobicContact CG-CZ3 4.2Å; M257-W291 PolarHBondContact N-O 3.32Å; M257-W291 PolarHBondContact O-N 3.09Å; N259-W291 PolarHBondContact O-NE1 3.05Å; W291-A293 HydrophobicContact CE3-CB 4.34Å; W291-A293 HydrophobicContact CH2-CB 4.29Å; W291-A293 HydrophobicContact CZ3-CB 3.69Å
292L98.4Very high96.1Very high0 Ų043.5 Ų43.50%022%0.216CC..EExtended strand (participates in β ladder)trans-114130.9-172.3-59.6-177.8000111.1K209 L210 M212 L242 V254 R255 L256 F309K209-L292 CarbonylContact C-O 3.52Å; K209-L292 WeakPolarHBondContact CA-O 3.46Å; L210-L292 HydrophobicContact CB-CB 3.89Å; L210-L292 HydrophobicContact CD2-CD1 4.31Å; L210-L292 PolarHBondContact N-O 3.1Å; M212-L292 HydrophobicContact CE-CD1 3.65Å; M212-L292 HydrophobicContact CG-CD1 3.92Å; L242-L292 HydrophobicContact CD1-CD1 3.61Å; L242-L292 HydrophobicContact CD1-CD2 3.79Å; L242-L292 HydrophobicContact CD1-CG 4.37Å; L242-L292 HydrophobicContact CD2-CD2 3.81Å; L242-L292 HydrophobicContact CG-CD2 4.43Å; V254-L292 HydrophobicContact CG1-CB 3.8Å; V254-L292 HydrophobicContact CG1-CD1 4.37Å; V254-L292 HydrophobicContact CG1-CD2 4.13Å; V254-L292 HydrophobicContact CG1-CG 4.33Å; R255-L292 WeakPolarHBondContact O-CA 3.37Å; L256-L292 HydrophobicContact CD1-CD2 3.95Å; L292-F309 HydrophobicContact CD1-CB 3.9Å; L292-F309 HydrophobicContact CD1-CD1 3.96Å; L292-F309 HydrophobicContact CD1-CD2 4.38Å; L292-F309 HydrophobicContact CD1-CG 3.85Å; L292-F309 HydrophobicContact CD2-CD2 4.24Å; L292-F309 HydrophobicContact CD2-CE2 4.2Å; L292-F309 HydrophobicContact CD2-CG 4.44Å; L292-F309 HydrophobicContact CD2-CZ 4.36Å; L292-F309 HydrophobicContact CG-CD1 4.17Å; L292-F309 HydrophobicContact CG-CE1 4.33Å; L292-F309 HydrophobicContact CG-CG 4.34Å
293A96.8Very high96.1Very high1 Ų142.6 Ų42.61%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-114.8135.8173.800000110.5P208 V254 R255 M257 W291P208-A293 WeakPolarHBondContact O-CA 3.26Å; V254-A293 WeakPolarHBondContact CA-O 3.37Å; R255-A293 HydrophobicContact CB-CB 4.27Å; R255-A293 PolarHBondContact N-O 2.92Å; R255-A293 PolarHBondContact O-N 2.9Å; M257-A293 HydrophobicContact CG-CB 4.25Å; W291-A293 HydrophobicContact CE3-CB 4.34Å; W291-A293 HydrophobicContact CH2-CB 4.29Å; W291-A293 HydrophobicContact CZ3-CB 3.69Å
294I96.7Very high96.2Very high9 Ų947 Ų475%0.04623%0.227CC..EExtended strand (participates in β ladder)trans-83.6134.7172.8-44.8175.3000108.5V199 P203 P208 L210 L301V199-I294 HydrophobicContact CG1-CD1 4.37Å; P203-I294 HydrophobicContact CG-CD1 4.11Å; P208-I294 HydrophobicContact CG-CB 4.02Å; P208-I294 PolarHBondContact O-N 3.39Å; L210-I294 HydrophobicContact CB-CD1 4.25Å; L210-I294 HydrophobicContact CB-CG1 3.78Å; L210-I294 HydrophobicContact CD1-CD1 4.14Å; L210-I294 HydrophobicContact CD1-CG1 4.45Å; I294-L301 HydrophobicContact CD1-CD1 3.79Å; I294-L301 HydrophobicContact CG1-CD1 4.08Å; I294-L301 HydrophobicContact CG2-CD1 4.16Å
295R93.1Very high96.2Very high109 Ų10949.4 Ų49.441%0.41124%0.239SC..EExtended strand (participates in β ladder)trans-81.9137.1177.5-166.3-178.1-179.2-784.9110.8V253 A298V253-R295 HydrophobicContact CB-CB 3.89Å; V253-R295 HydrophobicContact CG1-CB 3.81Å; V253-R295 HydrophobicContact CG1-CG 4.39Å; V253-R295 PolarHBondContact O-N 3.49Å; R295-A298 PolarHBondContact O-N 2.91Å
296D87.6Confident96.3Very high96 Ų9650 Ų5051%0.51324%0.241SC..EExtended strand (participates in β ladder)trans-58.4145.2175.1-165.216.6000111.9K202 A298K202-D296 VanDerWaalsContact CE-OD1 3.25Å; K202-D296 WeakPolarHBondContact CE-OD1 3.17Å; K202-D296 IonicContact NZ-OD1 2.8Å; K202-D296 PolarHBondContact NZ-OD1 2.9Å; K202-D296 IonicContact NZ-OD2 3.97Å; K202-D296 PolarHBondContact NZ-OD2 2.84Å; D296-A298 VanDerWaalsContact C-N 3.26Å; D296-A298 PolarHBondContact O-N 3.16Å
297G88.3Confident96.5Very high57 Ų5742.7 Ų42.759%0.58821%0.209SC*.EExtended strand (participates in β ladder)trans77.1-4.9-175.400000115.8
298A94.4Very high96.5Very high2 Ų241.5 Ų41.52%0.01719%0.194CC..EExtended strand (participates in β ladder)trans-144.161.5-178.200000112.7R251 A252 V253 R295 D296R251-A298 HydrophobicContact CB-CB 3.88Å; R251-A298 CarbonylContact O-C 3.55Å; R251-A298 WeakPolarHBondContact O-CA 3.4Å; A252-A298 CarbonylContact C-O 3.55Å; A252-A298 WeakPolarHBondContact CA-O 3.23Å; V253-A298 HydrophobicContact CB-CB 3.87Å; V253-A298 HydrophobicContact CG2-CB 3.51Å; V253-A298 PolarHBondContact N-O 3.34Å; R295-A298 PolarHBondContact O-N 2.91Å; D296-A298 VanDerWaalsContact C-N 3.26Å; D296-A298 PolarHBondContact O-N 3.16Å
299Y95Very high96.5Very high48 Ų4840.2 Ų40.219%0.18819%0.187CC..EExtended strand (participates in β ladder)trans-104.15.9-172.254.3-95.9000115.3V199 E201 K202 L301V199-Y299 WeakPolarHBondContact CG1-O 3.44Å; E201-Y299 WeakPolarHBondContact O-CD2 3.32Å; K202-Y299 HydrophobicContact CB-CD1 4.13Å; K202-Y299 HydrophobicContact CB-CD2 4.47Å; K202-Y299 HydrophobicContact CB-CE1 3.71Å; K202-Y299 HydrophobicContact CB-CE2 4.08Å; K202-Y299 HydrophobicContact CB-CG 4.49Å; K202-Y299 HydrophobicContact CD-CE1 4.34Å; K202-Y299 HydrophobicContact CG-CD1 4.32Å; K202-Y299 HydrophobicContact CG-CE1 4.16Å; Y299-L301 PolarHBondContact O-N 2.85Å
300F97Very high96.6Very high69 Ų6937.7 Ų37.730%0.30318%0.182SC..  trans-84.173.2-173.6-72.6-79.8000112.9V199 V200 R251V199-F300 CarbonylContact O-C 3.48Å; V199-F300 WeakPolarHBondContact O-CA 3.46Å; V200-F300 VanDerWaalsContact O-CE1 3.3Å; V200-F300 WeakPolarHBondContact O-CE1 3.48Å; R251-F300 PolarHBondContact O-N 2.87Å; R251-F300 VanDerWaalsContact O-N 3.16Å
301L98Very high96.6Very high2 Ų237.8 Ų37.81%0.0118%0.183CC..BIsolated β-bridgetrans-79.3134.6179.5-71.1120000112.9L195 N198 V199 L210 I244 A252 V254 I294 Y299L195-L301 HydrophobicContact CD2-CB 3.58Å; N198-L301 CarbonylContact C-O 3.59Å; N198-L301 VanDerWaalsContact CA-O 3.28Å; N198-L301 WeakPolarHBondContact CA-O 3.4Å; V199-L301 HydrophobicContact CB-CB 4.04Å; V199-L301 HydrophobicContact CB-CD1 4.07Å; V199-L301 HydrophobicContact CG2-CB 4.19Å; V199-L301 HydrophobicContact CG2-CD1 4.09Å; V199-L301 PolarHBondContact N-O 2.83Å; V199-L301 PolarHBondContact O-N 2.98Å; L210-L301 HydrophobicContact CD1-CD1 4.08Å; L210-L301 HydrophobicContact CD2-CD1 4.13Å; L210-L301 HydrophobicContact CD2-CD2 3.65Å; I244-L301 HydrophobicContact CD1-CD2 4.05Å; I244-L301 HydrophobicContact CG2-CD2 3.98Å; A252-L301 HydrophobicContact CB-CG 4.16Å; V254-L301 HydrophobicContact CG2-CD1 4.36Å; V254-L301 HydrophobicContact CG2-CD2 3.68Å; V254-L301 HydrophobicContact CG2-CG 4.45Å; I294-L301 HydrophobicContact CD1-CD1 3.79Å; I294-L301 HydrophobicContact CG1-CD1 4.08Å; I294-L301 HydrophobicContact CG2-CD1 4.16Å; Y299-L301 PolarHBondContact O-N 2.85Å
302H98.1Very high96.6Very high12 Ų1242.1 Ų42.16%0.05620%0.2CC..  trans-82.4122.5169.8-165.425.5000110.6N198 S245 Q247 Y304 Y306 S307N198-H302 WeakPolarHBondContact OD1-CA 3.21Å; N198-H302 PolarHBondContact OD1-ND1 2.79Å; S245-H302 WeakPolarHBondContact O-CB 3.23Å; S245-H302 PolarHBondContact O-N 3.11Å; Q247-H302 VanDerWaalsContact CD-CE1 3.43Å; Q247-H302 HydrophobicContact CG-CB 4.24Å; Q247-H302 PolarHBondContact OE1-CE1 3.24Å; Q247-H302 VanDerWaalsContact OE1-CE1 3.27Å; H302-Y304 AromaticContact CE1-CD2 3.94Å; H302-Y306 AromaticContact CD2-CD2 3.41Å; H302-Y306 VanDerWaalsContact CD2-CD2 3.41Å; H302-Y306 WeakPolarHBondContact CD2-CD2 3.44Å; H302-Y306 AromaticContact CD2-CG 3.5Å; H302-Y306 VanDerWaalsContact CD2-CG 3.5Å; H302-Y306 AromaticContact CE1-CD2 3.89Å; H302-Y306 AromaticContact NE2-CD2 3.23Å; H302-Y306 WeakPolarHBondContact NE2-CD2 3.42Å; H302-Y306 AromaticContact NE2-CE2 3.48Å; H302-Y306 WeakPolarHBondContact NE2-CE2 3.48Å; H302-Y306 AromaticContact NE2-CG 3.8Å; H302-S307 WeakPolarHBondContact O-CB 3.38Å; H302-S307 PolarHBondContact O-N 3.14Å; H302-S307 PolarHBondContact O-OG 3.06Å
303G98Very high96.5Very high0 Ų043.4 Ų43.40%021%0.207CC..  trans-81.6-141.1177.800000112.8L195 N198 M305 Y306L195-G303 CarbonylContact O-C 3.6Å; L195-G303 VanDerWaalsContact O-C 3.26Å; L195-G303 WeakPolarHBondContact O-CA 3.47Å; N198-G303 PolarHBondContact OD1-N 3.41Å; G303-M305 PolarHBondContact O-N 2.85Å; G303-M305 VanDerWaalsContact O-N 3.13Å; G303-Y306 WeakPolarHBondContact O-CB 3.31Å; G303-Y306 WeakPolarHBondContact O-CD2 3.38Å; G303-Y306 PolarHBondContact O-N 2.99Å
304Y98Very high96.4Very high136 Ų13647.4 Ų47.453%0.53323%0.227SC..THydrogen-bonded Turntrans5134.3179.8-49.5-73.9000114.4L195 E196 F197 H302 Y306L195-Y304 PolarHBondContact O-N 3.37Å; E196-Y304 WeakPolarHBondContact O-CA 3.28Å; E196-Y304 PolarHBondContact O-N 2.99Å; F197-Y304 HydrophobicContact CD1-CE1 4.17Å; F197-Y304 HydrophobicContact CE1-CE1 4.46Å; H302-Y304 AromaticContact CE1-CD2 3.94Å; Y304-Y306 PolarHBondContact O-N 2.85Å
305M98Very high96.2Very high49 Ų4951.7 Ų51.724%0.24125%0.246CC..THydrogen-bonded Turntrans67.110.3-174.5-41.1-9463.400115.5L195 K214 I216 G303 S307 T308L195-M305 PolarHBondContact O-N 3.22Å; K214-M305 HydrophobicContact CB-CE 3.69Å; K214-M305 HydrophobicContact CB-SD 4.36Å; K214-M305 HydrophobicContact CD-CE 3.91Å; K214-M305 HydrophobicContact CD-CG 4.37Å; K214-M305 HydrophobicContact CD-SD 3.61Å; K214-M305 HydrophobicContact CG-CE 3.75Å; K214-M305 HydrophobicContact CG-SD 3.73Å; I216-M305 HydrophobicContact CD1-SD 4.24Å; I216-M305 HydrophobicContact CG1-SD 4.34Å; G303-M305 PolarHBondContact O-N 2.85Å; G303-M305 VanDerWaalsContact O-N 3.13Å; M305-S307 VanDerWaalsContact C-N 3.31Å; M305-T308 WeakPolarHBondContact O-CG2 3.38Å
306Y98.3Very high96.1Very high139 Ų13948.1 Ų48.155%0.54524%0.235SC..SBendtrans-74.1-23.4170.6-72.8-79.7000112.8S245 H302 G303 Y304S245-Y306 VanDerWaalsContact CB-O 3.3Å; S245-Y306 WeakPolarHBondContact CB-O 3.38Å; S245-Y306 PolarHBondContact OG-O 2.72Å; H302-Y306 AromaticContact CD2-CD2 3.41Å; H302-Y306 VanDerWaalsContact CD2-CD2 3.41Å; H302-Y306 WeakPolarHBondContact CD2-CD2 3.44Å; H302-Y306 AromaticContact CD2-CG 3.5Å; H302-Y306 VanDerWaalsContact CD2-CG 3.5Å; H302-Y306 AromaticContact CE1-CD2 3.89Å; H302-Y306 AromaticContact NE2-CD2 3.23Å; H302-Y306 WeakPolarHBondContact NE2-CD2 3.42Å; H302-Y306 AromaticContact NE2-CE2 3.48Å; H302-Y306 WeakPolarHBondContact NE2-CE2 3.48Å; H302-Y306 AromaticContact NE2-CG 3.8Å; G303-Y306 WeakPolarHBondContact O-CB 3.31Å; G303-Y306 WeakPolarHBondContact O-CD2 3.38Å; G303-Y306 PolarHBondContact O-N 2.99Å; Y304-Y306 PolarHBondContact O-N 2.85Å
307S98.7Very high96.1Very high0 Ų044 Ų440%021%0.213CC..SBendtrans-110.1127.6167.4-53.50000109.5G194 L195 A243 S245 H302 M305G194-S307 VanDerWaalsContact CA-O 3.27Å; G194-S307 WeakPolarHBondContact CA-O 3.48Å; L195-S307 PolarHBondContact N-O 2.82Å; A243-S307 CarbonylContact O-C 3.2Å; A243-S307 VanDerWaalsContact O-CA 3.23Å; A243-S307 WeakPolarHBondContact O-CA 3.25Å; S245-S307 PolarHBondContact N-OG 3.46Å; S245-S307 PolarHBondContact O-OG 3.08Å; H302-S307 WeakPolarHBondContact O-CB 3.38Å; H302-S307 PolarHBondContact O-N 3.14Å; H302-S307 PolarHBondContact O-OG 3.06Å; M305-S307 VanDerWaalsContact C-N 3.31Å
308T98.8Very high95.4Very high15 Ų1544.4 Ų44.49%0.09220%0.201CC..EExtended strand (participates in β ladder)trans-141.4151-171.963.20000112.9F192 A193 L242 A243 M305F192-T308 HydrophobicContact CE2-CG2 3.81Å; F192-T308 HydrophobicContact CZ-CG2 4.16Å; A193-T308 CarbonylContact O-C 3.53Å; A193-T308 WeakPolarHBondContact O-CA 3.35Å; A193-T308 WeakPolarHBondContact O-CB 3.5Å; L242-T308 WeakPolarHBondContact CD1-O 3.41Å; A243-T308 PolarHBondContact N-O 3.12Å; A243-T308 PolarHBondContact O-N 3.18Å; M305-T308 WeakPolarHBondContact O-CG2 3.38Å
309F98.8Very high94Very high0 Ų050.5 Ų50.50%023%0.234CC..EExtended strand (participates in β ladder)trans-130.2127.7173.7-176-142.2000108.9F191 A193 M212 Y223 F230 L240 F241 L242 L256 L292F191-F309 HydrophobicContact CE2-CB 4.46Å; F191-F309 AromaticContact CE2-CD1 3.54Å; F191-F309 HydrophobicContact CE2-CD1 3.54Å; F191-F309 HydrophobicContact CE2-CD2 4.34Å; F191-F309 AromaticContact CE2-CE1 3.76Å; F191-F309 HydrophobicContact CE2-CE1 3.76Å; F191-F309 AromaticContact CE2-CG 3.85Å; F191-F309 HydrophobicContact CE2-CG 3.85Å; F191-F309 HydrophobicContact CE2-CZ 4.25Å; F191-F309 AromaticContact CZ-CD1 3.9Å; F191-F309 HydrophobicContact CZ-CD1 3.9Å; F191-F309 HydrophobicContact CZ-CD2 4.31Å; F191-F309 AromaticContact CZ-CE1 3.64Å; F191-F309 HydrophobicContact CZ-CE1 3.64Å; F191-F309 HydrophobicContact CZ-CE2 4.07Å; F191-F309 HydrophobicContact CZ-CG 4.22Å; F191-F309 AromaticContact CZ-CZ 3.73Å; F191-F309 HydrophobicContact CZ-CZ 3.73Å; A193-F309 PolarHBondContact N-O 2.84Å; A193-F309 PolarHBondContact O-N 2.93Å; M212-F309 HydrophobicContact CB-CB 4.45Å; M212-F309 HydrophobicContact CE-CB 4.36Å; M212-F309 HydrophobicContact CG-CB 3.76Å; Y223-F309 HydrophobicContact CD2-CD1 4.4Å; Y223-F309 HydrophobicContact CD2-CE1 4.39Å; Y223-F309 AromaticContact CE2-CD1 3.81Å; Y223-F309 HydrophobicContact CE2-CD1 3.81Å; Y223-F309 HydrophobicContact CE2-CE1 4Å; F230-F309 HydrophobicContact CB-CE1 4.47Å; L240-F309 HydrophobicContact CB-CE2 4.28Å; L240-F309 HydrophobicContact CD1-CZ 4.49Å; F241-F309 WeakPolarHBondContact O-CD2 3.45Å; L242-F309 HydrophobicContact CD1-CB 4.15Å; L242-F309 HydrophobicContact CD1-CD2 4.1Å; L242-F309 HydrophobicContact CD1-CG 4.41Å; L256-F309 HydrophobicContact CD1-CE2 3.84Å; L256-F309 HydrophobicContact CD1-CZ 3.92Å; L292-F309 HydrophobicContact CD1-CB 3.9Å; L292-F309 HydrophobicContact CD1-CD1 3.96Å; L292-F309 HydrophobicContact CD1-CD2 4.38Å; L292-F309 HydrophobicContact CD1-CG 3.85Å; L292-F309 HydrophobicContact CD2-CD2 4.24Å; L292-F309 HydrophobicContact CD2-CE2 4.2Å; L292-F309 HydrophobicContact CD2-CG 4.44Å; L292-F309 HydrophobicContact CD2-CZ 4.36Å; L292-F309 HydrophobicContact CG-CD1 4.17Å; L292-F309 HydrophobicContact CG-CE1 4.33Å; L292-F309 HydrophobicContact CG-CG 4.34Å
310S98.8Very high92.2Very high26 Ų2655.7 Ų55.718%0.18227%0.265CS..EExtended strand (participates in β ladder)trans-137.4161.6177.347.90000111.1F191 L240 F241F191-S310 VanDerWaalsContact CZ-C 3.42Å; F191-S310 VanDerWaalsContact O-CA 3.23Å; F191-S310 WeakPolarHBondContact O-CA 3.09Å; F191-S310 VanDerWaalsContact O-CB 3.27Å; F191-S310 WeakPolarHBondContact O-CB 3.3Å; L240-S310 WeakPolarHBondContact CA-O 3.34Å; F241-S310 PolarHBondContact N-O 3.26Å; F241-S310 PolarHBondContact O-N 3.03Å
311G98.7Very high90.2Very high2 Ų258 Ų582%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-174.5164.3169.700000113.1A190 F191 I239A190-G311 CarbonylContact C-O 3.54Å; A190-G311 WeakPolarHBondContact CA-O 3.34Å; F191-G311 WeakPolarHBondContact CD1-O 3.3Å; F191-G311 VanDerWaalsContact CE1-CA 3.47Å; F191-G311 VanDerWaalsContact CE1-N 3.3Å; F191-G311 PolarHBondContact N-O 2.89Å; F191-G311 PolarHBondContact O-N 2.84Å; I239-G311 CarbonylContact O-C 3.58Å; I239-G311 WeakPolarHBondContact O-CA 3.41Å
312Y98.3Very high87.9Confident112 Ų11263.6 Ų63.644%0.43931%0.311SS..EExtended strand (participates in β ladder)trans-152.8156.4-178.656.8-85.1000111.4I189 Y238 I239I189-Y312 VanDerWaalsContact O-CA 3.24Å; I189-Y312 WeakPolarHBondContact O-CA 3.23Å; I189-Y312 WeakPolarHBondContact O-CB 3.25Å; Y238-Y312 WeakPolarHBondContact CA-O 3.46Å; I239-Y312 HydrophobicContact CB-CD1 4.48Å; I239-Y312 HydrophobicContact CB-CE1 4.01Å; I239-Y312 HydrophobicContact CB-CE2 4.19Å; I239-Y312 HydrophobicContact CD1-CE2 3.92Å; I239-Y312 WeakPolarHBondContact CD1-OH 3.18Å; I239-Y312 HydrophobicContact CG1-CE2 4.4Å; I239-Y312 HydrophobicContact CG2-CE1 3.99Å; I239-Y312 PolarHBondContact N-O 3.07Å; I239-Y312 PolarHBondContact O-N 2.86Å
313L97.2Very high86Confident28 Ų2866.1 Ų66.115%0.14732%0.324CS..EExtended strand (participates in β ladder)trans-71125.4169-178.774.1000108.8N187 I189 V234 Y238 F315 D316N187-L313 HydrophobicContact CB-CD2 4.23Å; N187-L313 WeakPolarHBondContact O-CD2 3.48Å; I189-L313 HydrophobicContact CB-CB 4.05Å; I189-L313 HydrophobicContact CD1-CB 4.06Å; I189-L313 HydrophobicContact CD1-CD2 3.99Å; I189-L313 HydrophobicContact CD1-CG 4.48Å; I189-L313 PolarHBondContact O-N 3.35Å; V234-L313 HydrophobicContact CG2-CD1 4.36Å; V234-L313 HydrophobicContact CG2-CD2 4.13Å; Y238-L313 HydrophobicContact CD1-CB 4.18Å; Y238-L313 HydrophobicContact CD1-CD1 4.12Å; Y238-L313 HydrophobicContact CD2-CD1 4.31Å; Y238-L313 HydrophobicContact CE1-CB 3.9Å; Y238-L313 HydrophobicContact CE1-CD1 3.67Å; Y238-L313 HydrophobicContact CE1-CG 4.41Å; Y238-L313 HydrophobicContact CE2-CD1 3.9Å; Y238-L313 HydrophobicContact CG-CD1 4.44Å; L313-F315 WeakPolarHBondContact CD1-O 3.5Å; L313-D316 HydrophobicContact CD2-CB 4.36Å
314L95.8Very high84.1Confident85 Ų8573.2 Ų73.245%0.44536%0.362SS..EExtended strand (participates in β ladder)trans-82.2-49.3172-176.865.9000110.6I237 I239I237-L314 HydrophobicContact CB-CB 4.41Å; I237-L314 HydrophobicContact CG2-CB 4.26Å; I237-L314 HydrophobicContact CG2-CD2 3.97Å; I237-L314 WeakPolarHBondContact O-CB 3.23Å; I237-L314 PolarHBondContact O-N 3.44Å; I239-L314 HydrophobicContact CD1-CB 4.38Å; I239-L314 HydrophobicContact CD1-CD1 3.92Å; I239-L314 HydrophobicContact CD1-CD2 4.14Å; I239-L314 HydrophobicContact CD1-CG 4.36Å; I239-L314 HydrophobicContact CG1-CB 4.34Å; I239-L314 HydrophobicContact CG1-CD2 4.47Å
315F92.2Very high82.2Confident99 Ų9971.5 Ų71.543%0.43436%0.361SS..EExtended strand (participates in β ladder)trans-158.9150.9167.754.2-98.1000111.4G236 I237 L313 I317 I323G236-F315 VanDerWaalsContact CA-O 3.24Å; G236-F315 WeakPolarHBondContact CA-O 3.17Å; I237-F315 HydrophobicContact CB-CE1 4.21Å; I237-F315 HydrophobicContact CB-CE2 4.15Å; I237-F315 HydrophobicContact CB-CZ 4Å; I237-F315 HydrophobicContact CG1-CD2 4.21Å; I237-F315 HydrophobicContact CG1-CE1 4.08Å; I237-F315 HydrophobicContact CG1-CE2 3.45Å; I237-F315 VanDerWaalsContact CG1-CE2 3.45Å; I237-F315 HydrophobicContact CG1-CZ 3.37Å; I237-F315 PolarHBondContact N-O 3.43Å; L313-F315 WeakPolarHBondContact CD1-O 3.5Å; F315-I317 HydrophobicContact CD2-CG1 4.22Å; F315-I317 HydrophobicContact CE2-CD1 4.49Å; F315-I317 HydrophobicContact CE2-CG1 4.06Å; F315-I323 HydrophobicContact CE2-CD1 4.21Å
316D90.8Very high80Confident33 Ų3378.5 Ų78.518%0.17641%0.41CS..EExtended strand (participates in β ladder)trans-72.2143.7172.8-163.7-41.6000110.4N187 N235 L313N187-D316 PolarHBondContact ND2-OD2 3.14Å; N235-D316 WeakPolarHBondContact O-CA 3.35Å; N235-D316 VanDerWaalsContact O-OD1 3.05Å; L313-D316 HydrophobicContact CD2-CB 4.36Å
317I87.9Confident79.1Confident9 Ų975.5 Ų75.55%0.04640%0.403CS..  trans-111.4103.1170.4-63.2165.5000107.7N235 I237 Q283 F315 E321 I323N235-I317 WeakPolarHBondContact CB-O 3.4Å; N235-I317 PolarHBondContact O-N 2.85Å; I237-I317 HydrophobicContact CD1-CD1 3.78Å; I237-I317 HydrophobicContact CG1-CD1 4.01Å; Q283-I317 HydrophobicContact CG-CD1 4.07Å; F315-I317 HydrophobicContact CD2-CG1 4.22Å; F315-I317 HydrophobicContact CE2-CD1 4.49Å; F315-I317 HydrophobicContact CE2-CG1 4.06Å; I317-E321 HydrophobicContact CG2-CB 4.48Å; I317-E321 VanDerWaalsContact CG2-O 3.31Å; I317-E321 WeakPolarHBondContact CG2-O 3.36Å; I317-I323 HydrophobicContact CD1-CD1 4.07Å; I317-I323 HydrophobicContact CG1-CD1 4.02Å
318N73.7Confident78Confident66 Ų6679.4 Ų79.435%0.35343%0.425SS..  trans-59.3140.7170.7-73.8-54.5000110N320 E321N318-N320 PolarHBondContact O-N 3.29Å; N318-E321 PolarHBondContact O-N 3.08Å
319N63.8Low76.9Confident131 Ų13183 Ų8370%0.70144%0.443SS*.THydrogen-bonded Turntrans-56-9.4-179.3-67.1-5.2000115.9N235N235-N319 PolarHBondContact ND2-OD1 3.14Å
320N57.8Low75.6Confident157 Ų15787.9 Ų87.984%0.8447%0.469SS*.THydrogen-bonded Turntrans-91.6-7.8177.4-65.61000113.1N318N318-N320 PolarHBondContact O-N 3.29Å
321E55.2Low74.1Confident118 Ų11891.8 Ų91.855%0.55149%0.487SS*.  trans-108.988.5176.9-70.5177.2-158.300109I317 N318 I323I317-E321 HydrophobicContact CG2-CB 4.48Å; I317-E321 VanDerWaalsContact CG2-O 3.31Å; I317-E321 WeakPolarHBondContact CG2-O 3.36Å; N318-E321 PolarHBondContact O-N 3.08Å; E321-I323 VanDerWaalsContact C-N 3.26Å; E321-I323 PolarHBondContact O-N 2.72Å
322T49.8Very low72.5Confident119 Ų11997.7 Ų97.773%0.7352%0.518SS*.  trans-68.887.916649.20000108.7D324T322-D324 VanDerWaalsContact C-N 3.33Å; T322-D324 PolarHBondContact O-N 3.17Å; T322-D324 VanDerWaalsContact O-N 3.12Å
323I57.7Low70.7Confident65 Ų6596.7 Ų96.733%0.33352%0.524SS..  trans-76.192.6164.9-52.4-175.8000106.7F315 I317 E321 I325F315-I323 HydrophobicContact CE2-CD1 4.21Å; I317-I323 HydrophobicContact CD1-CD1 4.07Å; I317-I323 HydrophobicContact CG1-CD1 4.02Å; E321-I323 VanDerWaalsContact C-N 3.26Å; E321-I323 PolarHBondContact O-N 2.72Å; I323-I325 HydrophobicContact CG2-CD1 4.49Å; I323-I325 HydrophobicContact CG2-CG1 3.89Å; I323-I325 PolarHBondContact O-N 2.85Å; I323-I325 VanDerWaalsContact O-N 3.07Å
324D57.2Low68.6Low148 Ų148102 Ų10279%0.79155%0.553SS**  trans-69.399.2169.6-69.1-29.1000108.5T322T322-D324 VanDerWaalsContact C-N 3.33Å; T322-D324 PolarHBondContact O-N 3.17Å; T322-D324 VanDerWaalsContact O-N 3.12Å
325I59.7Low66.4Low100 Ų100103.4 Ų103.451%0.51356%0.562SS.*  trans-86.4130.1168.6-55.8-172.4000107.6I237 Q283 I323I237-I325 HydrophobicContact CD1-CD1 4.29Å; Q283-I325 HydrophobicContact CB-CD1 4.19Å; I323-I325 HydrophobicContact CG2-CD1 4.49Å; I323-I325 HydrophobicContact CG2-CG1 3.89Å; I323-I325 PolarHBondContact O-N 2.85Å; I323-I325 VanDerWaalsContact O-N 3.07Å
326P50.6Low64Low196 Ų196103.8 Ų103.8100%1.27357%0.573SS**  trans-70.10-17329.1-37.3000115

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