A0A3Q0KKT9_SCHMA Loading...

Ephrin RBD domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKT9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 342 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
1M46.6Very low48.9Very low226 Ų226136.4 Ų136.4100%1.11371%0.711SS**  046.80-95.8-95.3-168.300108.1
2D47.9Very low49.1Very low150 Ų150133.3 Ų133.380%0.80269%0.694SS**  trans-130.517.2-153.2-58.1-66.7000114.9
3S52.2Low49.4Very low99 Ų99135.1 Ų135.169%0.69269%0.694SS**SBendtrans-105.7-0-177.367.20000115.5
4L48.1Very low49.7Very low148 Ų148134.5 Ų134.578%0.77569%0.692SS**SBendtrans-98.7-13.7-175.8-87.1159000114.9
5Y48Very low50.4Low189 Ų189132.1 Ų132.174%0.74168%0.68SS**SBendtrans-87.8-8.8-174.6-102.4-82.1000115.6
6T50.8Low51.4Low103 Ų103133.1 Ų133.163%0.63268%0.678SS**Hα-helixtrans-88.2-19.7-17742.20000113.9
7N48.3Very low52.4Low127 Ų127129.9 Ų129.968%0.67967%0.667SS**Hα-helixtrans-81.6-28.4-178.7-84.5-16.8000114.1F11N7-F11 PolarHBondContact O-N 2.94Å
8E48.5Very low53.4Low133 Ų133126.5 Ų126.562%0.62166%0.655SS**Hα-helixtrans-71.6-34.1178.8-72.5-158149.800112.9G10 F11 I12E8-G10 VanDerWaalsContact C-N 3.31Å; E8-G10 PolarHBondContact O-N 2.91Å; E8-F11 PolarHBondContact O-N 3.06Å; E8-I12 WeakPolarHBondContact O-CG1 3.37Å; E8-I12 PolarHBondContact O-N 3.05Å
9I52.9Low54.6Low113 Ų113123.2 Ų123.258%0.57964%0.638SS**Hα-helixtrans-70.4-31.1-179.2-57.5172.4000111K13I9-K13 PolarHBondContact O-N 2.75Å
10G47.1Very low55.7Low44 Ų44122.5 Ų122.545%0.45464%0.635SS.*Hα-helixtrans-68.8-41.2174.700000113E8 K13 L14E8-G10 VanDerWaalsContact C-N 3.31Å; E8-G10 PolarHBondContact O-N 2.91Å; G10-K13 PolarHBondContact O-N 3.37Å; G10-L14 PolarHBondContact O-N 2.83Å
11F47.2Very low56.7Low168 Ų168124.8 Ų124.874%0.73764%0.635SS**Hα-helixtrans-68-38.3-179.1-121.2-90.4000112.6N7 E8 K13 L14 N15N7-F11 PolarHBondContact O-N 2.94Å; E8-F11 PolarHBondContact O-N 3.06Å; F11-K13 PolarHBondContact O-N 3.06Å; F11-L14 PolarHBondContact O-N 3.47Å; F11-N15 PolarHBondContact O-N 3.45Å; F11-N15 VanDerWaalsContact O-N 3.11Å
12I51.7Low58.3Low99 Ų99118.1 Ų118.151%0.50860%0.603SS.*Hα-helixtrans-68.7-34.3178.1-64167.3000111.6E8 K16E8-I12 WeakPolarHBondContact O-CG1 3.37Å; E8-I12 PolarHBondContact O-N 3.05Å; I12-K16 WeakPolarHBondContact O-CG 3.4Å; I12-K16 PolarHBondContact O-N 3.32Å
13K53.3Low59.9Low157 Ų157113.9 Ų113.968%0.68358%0.583SS**Hα-helixtrans-69.9-36.5175.3-103-179.5175.6178.10112.7I9 G10 F11 T17I9-K13 PolarHBondContact O-N 2.75Å; G10-K13 PolarHBondContact O-N 3.37Å; F11-K13 PolarHBondContact O-N 3.06Å; K13-T17 PolarHBondContact O-N 2.99Å; K13-T17 PolarHBondContact O-OG1 2.04Å
14L53.2Low61.3Low127 Ų127113.9 Ų113.967%0.66557%0.574SS**Hα-helixtrans-67.9-37.5176.1-134.286.8000111.5G10 F11 T17 C18G10-L14 PolarHBondContact O-N 2.83Å; F11-L14 PolarHBondContact O-N 3.47Å; L14-T17 PolarHBondContact O-OG1 3.05Å; L14-C18 PolarHBondContact O-N 3.34Å
15N60.8Low62.8Low98 Ų98111.9 Ų111.952%0.52456%0.564SS.*Hα-helixtrans-70.5-40.2-179.2-151.63.6000112.2F11 T17 C18 I19F11-N15 PolarHBondContact O-N 3.45Å; F11-N15 VanDerWaalsContact O-N 3.11Å; N15-T17 PolarHBondContact O-N 3.11Å; N15-C18 PolarHBondContact O-N 2.96Å; N15-I19 VanDerWaalsContact O-CG1 3.28Å; N15-I19 WeakPolarHBondContact O-CG1 3.44Å; N15-I19 PolarHBondContact O-N 2.9Å
16K65.5Low64.4Low149 Ų149106.3 Ų106.365%0.64855%0.546SS*.Hα-helixtrans-63.7-37.9177.1-75.1-177.3178.1-177.50113.4I12 L20I12-K16 WeakPolarHBondContact O-CG 3.4Å; I12-K16 PolarHBondContact O-N 3.32Å; K16-L20 PolarHBondContact O-N 3.48Å
17T68.8Low65.7Low78 Ų78104.3 Ų104.348%0.47954%0.536SS..Hα-helixtrans-71.4-38.7177.747.20000111.6K13 L14 N15 L20 W21K13-T17 PolarHBondContact O-N 2.99Å; K13-T17 PolarHBondContact O-OG1 2.04Å; L14-T17 PolarHBondContact O-OG1 3.05Å; N15-T17 PolarHBondContact O-N 3.11Å; T17-L20 PolarHBondContact O-N 3.34Å; T17-W21 VanDerWaalsContact O-CD1 3.27Å; T17-W21 PolarHBondContact O-N 3.43Å; T17-W21 VanDerWaalsContact O-N 3.15Å
18C71Confident67.1Low69 Ų69101.8 Ų101.847%0.46653%0.528SS..Hα-helixtrans-61.9-45.6175.1-164.70000112.3L14 N15 L20 W21 I22L14-C18 PolarHBondContact O-N 3.34Å; N15-C18 PolarHBondContact O-N 2.96Å; C18-L20 PolarHBondContact O-N 3.41Å; C18-W21 PolarHBondContact O-N 2.85Å; C18-I22 WeakPolarHBondContact O-CG1 3.09Å; C18-I22 PolarHBondContact O-N 3.2Å
19I76.4Confident68.3Low63 Ų63103.2 Ų103.232%0.32353%0.532SS..Hα-helixtrans-62.1-42.6177.9-65.8164.5000111.2N15 W21 I22 V23N15-I19 VanDerWaalsContact O-CG1 3.28Å; N15-I19 WeakPolarHBondContact O-CG1 3.44Å; N15-I19 PolarHBondContact O-N 2.9Å; I19-W21 VanDerWaalsContact C-N 3.32Å; I19-W21 PolarHBondContact O-N 3Å; I19-I22 PolarHBondContact O-N 2.66Å; I19-V23 HydrophobicContact CG2-CG2 4.43Å; I19-V23 WeakPolarHBondContact O-CG2 3.03Å; I19-V23 PolarHBondContact O-N 3.07Å
20L76.7Confident69Low109 Ų109102.9 Ų102.957%0.57153%0.527SS*.Hα-helixtrans-60.6-41.3177.7-171.871.9000112K16 T17 C18 V23 L24K16-L20 PolarHBondContact O-N 3.48Å; T17-L20 PolarHBondContact O-N 3.34Å; C18-L20 PolarHBondContact O-N 3.41Å; L20-V23 PolarHBondContact O-N 3.36Å; L20-L24 HydrophobicContact CG-CD1 4.27Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.15Å; L20-L24 PolarHBondContact O-N 3.35Å
21W76.8Confident69.8Low172 Ų172106.3 Ų106.365%0.65253%0.534SS*.Hα-helixtrans-65.7-41.1176.5-88.5102.5000112.7T17 C18 I19 L24 L25T17-W21 VanDerWaalsContact O-CD1 3.27Å; T17-W21 PolarHBondContact O-N 3.43Å; T17-W21 VanDerWaalsContact O-N 3.15Å; C18-W21 PolarHBondContact O-N 2.85Å; I19-W21 VanDerWaalsContact C-N 3.32Å; I19-W21 PolarHBondContact O-N 3Å; W21-L24 PolarHBondContact O-N 2.94Å; W21-L25 WeakPolarHBondContact O-CG 3.45Å; W21-L25 PolarHBondContact O-N 3.07Å
22I80Confident70.4Confident86 Ų86104.4 Ų104.444%0.44153%0.527SS..Hα-helixtrans-63-45.1176.2-67.1166.9000110.4C18 I19 L24 L25 I26C18-I22 WeakPolarHBondContact O-CG1 3.09Å; C18-I22 PolarHBondContact O-N 3.2Å; I19-I22 PolarHBondContact O-N 2.66Å; I22-L24 PolarHBondContact O-N 2.98Å; I22-L25 PolarHBondContact O-N 3.08Å; I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.44Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.47Å; I22-I26 PolarHBondContact O-N 2.96Å
23V81.2Confident70.7Confident61 Ų61105.6 Ų105.637%0.3753%0.533SS..Hα-helixtrans-61.7-44.1176.8173.40000110.9I19 L20 L25 I26 C27I19-V23 HydrophobicContact CG2-CG2 4.43Å; I19-V23 WeakPolarHBondContact O-CG2 3.03Å; I19-V23 PolarHBondContact O-N 3.07Å; L20-V23 PolarHBondContact O-N 3.36Å; V23-L25 PolarHBondContact O-N 2.74Å; V23-I26 PolarHBondContact O-N 3.07Å; V23-C27 WeakPolarHBondContact O-CB 3.48Å; V23-C27 PolarHBondContact O-N 2.96Å; V23-C27 PolarHBondContact O-SG 3.08Å; V23-C27 VanDerWaalsContact O-SG 3.32Å
24L80.5Confident70.7Confident98 Ų98101.9 Ų101.951%0.51353%0.527SS..Hα-helixtrans-61.5-41176.3-84.4163.1000112.7L20 W21 I22 C27 S28L20-L24 HydrophobicContact CG-CD1 4.27Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.15Å; L20-L24 PolarHBondContact O-N 3.35Å; W21-L24 PolarHBondContact O-N 2.94Å; I22-L24 PolarHBondContact O-N 2.98Å; L24-C27 PolarHBondContact O-N 2.93Å; L24-S28 VanDerWaalsContact O-CB 3.27Å; L24-S28 WeakPolarHBondContact O-CB 3.48Å; L24-S28 PolarHBondContact O-N 3.35Å
25L80.3Confident70.7Confident107 Ų107105.5 Ų105.556%0.5653%0.533SS*.Hα-helixtrans-66.7-41.2176.8-74.3171.9000112.1W21 I22 V23 S28 K29W21-L25 WeakPolarHBondContact O-CG 3.45Å; W21-L25 PolarHBondContact O-N 3.07Å; I22-L25 PolarHBondContact O-N 3.08Å; V23-L25 PolarHBondContact O-N 2.74Å; L25-S28 PolarHBondContact O-N 2.82Å; L25-K29 PolarHBondContact O-N 3.21Å
26I81.3Confident70.4Confident72 Ų72105.9 Ų105.937%0.36954%0.535SS..Hα-helixtrans-64.1-49.9175.1-68.4169.6000109.5I22 V23 S28 K29 F30I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.44Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.47Å; I22-I26 PolarHBondContact O-N 2.96Å; V23-I26 PolarHBondContact O-N 3.07Å; I26-S28 VanDerWaalsContact C-N 3.33Å; I26-S28 PolarHBondContact O-N 3.18Å; I26-K29 PolarHBondContact O-N 3.26Å; I26-F30 HydrophobicContact CG2-CD2 3.54Å; I26-F30 HydrophobicContact CG2-CE2 3.62Å; I26-F30 VanDerWaalsContact O-CD2 3.31Å; I26-F30 WeakPolarHBondContact O-CD2 3.08Å; I26-F30 PolarHBondContact O-N 3.36Å
27C78.8Confident69.5Low60 Ų60101.8 Ų101.841%0.40553%0.534SS..Hα-helixtrans-58.5-42.8176.5-740000112V23 L24 K29 F30 I31V23-C27 WeakPolarHBondContact O-CB 3.48Å; V23-C27 PolarHBondContact O-N 2.96Å; V23-C27 PolarHBondContact O-SG 3.08Å; V23-C27 VanDerWaalsContact O-SG 3.32Å; L24-C27 PolarHBondContact O-N 2.93Å; C27-K29 PolarHBondContact O-N 3Å; C27-F30 PolarHBondContact O-N 3.2Å; C27-I31 WeakPolarHBondContact O-CB 3.34Å; C27-I31 WeakPolarHBondContact O-CD1 3.26Å; C27-I31 WeakPolarHBondContact O-CG1 3.43Å; C27-I31 PolarHBondContact O-N 2.99Å
28S76.1Confident68.5Low75 Ų75101.4 Ų101.452%0.52453%0.534SS..Hα-helixtrans-60.6-45176.2178.80000111.7L24 L25 I26 I31 H32L24-S28 VanDerWaalsContact O-CB 3.27Å; L24-S28 WeakPolarHBondContact O-CB 3.48Å; L24-S28 PolarHBondContact O-N 3.35Å; L25-S28 PolarHBondContact O-N 2.82Å; I26-S28 VanDerWaalsContact C-N 3.33Å; I26-S28 PolarHBondContact O-N 3.18Å; S28-I31 PolarHBondContact O-N 3.34Å; S28-H32 WeakPolarHBondContact O-CB 3.41Å; S28-H32 PolarHBondContact O-N 3.45Å
29K73.9Confident67.8Low163 Ų163103 Ų10371%0.70954%0.538SS*.Hα-helixtrans-64.7-39.7174.7-76.2-162.1175.2-170.30112.6L25 I26 C27 H32 L33L25-K29 PolarHBondContact O-N 3.21Å; I26-K29 PolarHBondContact O-N 3.26Å; C27-K29 PolarHBondContact O-N 3Å; K29-H32 PolarHBondContact O-N 3.18Å; K29-L33 WeakPolarHBondContact O-CB 3.06Å; K29-L33 PolarHBondContact O-N 2.88Å
30F67.6Low67.3Low105 Ų105103.4 Ų103.446%0.46155%0.551SS.*Hα-helixtrans-67.6-38.2176-91.2-79.2000112.6I26 C27 H32 L33 S34I26-F30 HydrophobicContact CG2-CD2 3.54Å; I26-F30 HydrophobicContact CG2-CE2 3.62Å; I26-F30 VanDerWaalsContact O-CD2 3.31Å; I26-F30 WeakPolarHBondContact O-CD2 3.08Å; I26-F30 PolarHBondContact O-N 3.36Å; C27-F30 PolarHBondContact O-N 3.2Å; F30-H32 VanDerWaalsContact C-N 3.35Å; F30-L33 PolarHBondContact O-N 2.97Å; F30-S34 VanDerWaalsContact O-CB 3.24Å; F30-S34 WeakPolarHBondContact O-CB 3.43Å; F30-S34 PolarHBondContact O-N 3.5Å; F30-S34 PolarHBondContact O-OG 2.93Å
31I64.8Low67.5Low117 Ų117104 Ų10460%0.655%0.549SS*.Hα-helixtrans-64-44.3173.8-68161.7000109.2C27 S28 L33 S34 Y35C27-I31 WeakPolarHBondContact O-CB 3.34Å; C27-I31 WeakPolarHBondContact O-CD1 3.26Å; C27-I31 WeakPolarHBondContact O-CG1 3.43Å; C27-I31 PolarHBondContact O-N 2.99Å; S28-I31 PolarHBondContact O-N 3.34Å; I31-L33 PolarHBondContact O-N 3.09Å; I31-S34 PolarHBondContact O-N 2.98Å; I31-Y35 WeakPolarHBondContact O-CB 3.39Å; I31-Y35 PolarHBondContact O-N 3.2Å
32H58.7Low67.9Low127 Ų12799.2 Ų99.259%0.58853%0.534SS*.Hα-helixtrans-65-39.1177.4-157-78.6000112.4S28 K29 F30 Y35 I36S28-H32 WeakPolarHBondContact O-CB 3.41Å; S28-H32 PolarHBondContact O-N 3.45Å; K29-H32 PolarHBondContact O-N 3.18Å; F30-H32 VanDerWaalsContact C-N 3.35Å; H32-Y35 PolarHBondContact O-N 2.94Å; H32-I36 VanDerWaalsContact ND1-CD1 3.25Å; H32-I36 WeakPolarHBondContact ND1-CD1 3.45Å; H32-I36 WeakPolarHBondContact O-CD1 3.28Å; H32-I36 VanDerWaalsContact O-CG1 3.29Å; H32-I36 WeakPolarHBondContact O-CG1 3.41Å; H32-I36 PolarHBondContact O-N 3.31Å; H32-I36 VanDerWaalsContact O-N 3.08Å
33L57.9Low68.2Low124 Ų12498 Ų9865%0.64953%0.534SS*.Hα-helixtrans-68.4-39.2175.3-133.177.7000112K29 F30 I31 Y35 I36 G37K29-L33 WeakPolarHBondContact O-CB 3.06Å; K29-L33 PolarHBondContact O-N 2.88Å; F30-L33 PolarHBondContact O-N 2.97Å; I31-L33 PolarHBondContact O-N 3.09Å; L33-Y35 VanDerWaalsContact C-N 3.31Å; L33-I36 PolarHBondContact O-N 3.49Å; L33-G37 PolarHBondContact O-N 3.35Å
34S54.5Low68.6Low80 Ų8095.3 Ų95.356%0.55952%0.517SS*.Hα-helixtrans-67.5-34.1176.6-56.90000111.3F30 I31 G37F30-S34 VanDerWaalsContact O-CB 3.24Å; F30-S34 WeakPolarHBondContact O-CB 3.43Å; F30-S34 PolarHBondContact O-N 3.5Å; F30-S34 PolarHBondContact O-OG 2.93Å; I31-S34 PolarHBondContact O-N 2.98Å; S34-G37 PolarHBondContact O-N 2.92Å
35Y53.1Low69Low202 Ų20293.2 Ų93.279%0.79251%0.506SS*.Hα-helixtrans-71.8-35.5176.5-145.9-95.5000112.4I31 H32 L33 G37I31-Y35 WeakPolarHBondContact O-CB 3.39Å; I31-Y35 PolarHBondContact O-N 3.2Å; H32-Y35 PolarHBondContact O-N 2.94Å; L33-Y35 VanDerWaalsContact C-N 3.31Å; Y35-G37 VanDerWaalsContact C-N 3.33Å
36I53.8Low69.5Low107 Ų10788.4 Ų88.455%0.54948%0.48SS..Hα-helixtrans-74-25.8174.7-67.1166.1000111.6H32 L33H32-I36 VanDerWaalsContact ND1-CD1 3.25Å; H32-I36 WeakPolarHBondContact ND1-CD1 3.45Å; H32-I36 WeakPolarHBondContact O-CD1 3.28Å; H32-I36 VanDerWaalsContact O-CG1 3.29Å; H32-I36 WeakPolarHBondContact O-CG1 3.41Å; H32-I36 PolarHBondContact O-N 3.31Å; H32-I36 VanDerWaalsContact O-N 3.08Å; L33-I36 PolarHBondContact O-N 3.49Å
37G46.2Very low70Confident62 Ų6289.4 Ų89.464%0.63948%0.48SS*.THydrogen-bonded Turntrans-78.8-11.7-176.200000116.4L33 S34 Y35 N39L33-G37 PolarHBondContact O-N 3.35Å; S34-G37 PolarHBondContact O-N 2.92Å; Y35-G37 VanDerWaalsContact C-N 3.33Å; G37-N39 VanDerWaalsContact C-N 3.34Å; G37-N39 PolarHBondContact O-N 3.3Å
38C48.2Very low70.6Confident71 Ų7186.5 Ų86.548%0.4846%0.461SS..  trans-90.450.5-176.9-91.40000113.7A40 C310C38-A40 VanDerWaalsContact C-N 3.26Å; C38-A40 PolarHBondContact O-N 3.18Å; C38-C310 PolarHBondContact SG-SG 3.02Å
39N56.6Low71.2Confident102 Ų10284.3 Ų84.355%0.54544%0.443SS..  trans-80.981.3162.2-76.1-42.1000108.5G37 F41G37-N39 VanDerWaalsContact C-N 3.34Å; G37-N39 PolarHBondContact O-N 3.3Å; N39-F41 PolarHBondContact O-N 3.02Å
40A66.6Low72Confident72 Ų7276.9 Ų76.960%0.59541%0.412SS*.  trans-61.3120.9169.500000108.6C38C38-A40 VanDerWaalsContact C-N 3.26Å; C38-A40 PolarHBondContact O-N 3.18Å
41F79.9Confident73Confident121 Ų12176.4 Ų76.453%0.53141%0.414SS..  trans-62.8136.4174.5-53.3-54.8000109.6N39 K68N39-F41 PolarHBondContact O-N 3.02Å; F41-K68 HydrophobicContact CD1-CB 3.45Å; F41-K68 VanDerWaalsContact CD1-CB 3.45Å; F41-K68 HydrophobicContact CD1-CD 4.17Å; F41-K68 HydrophobicContact CD1-CG 4.44Å; F41-K68 HydrophobicContact CE1-CB 3.5Å; F41-K68 HydrophobicContact CE1-CD 3.34Å; F41-K68 HydrophobicContact CE1-CG 4.02Å; F41-K68 HydrophobicContact CE2-CD 4.08Å; F41-K68 HydrophobicContact CG-CB 4.02Å; F41-K68 HydrophobicContact CZ-CB 4.1Å; F41-K68 HydrophobicContact CZ-CD 3.28Å; F41-K68 HydrophobicContact CZ-CG 4.35Å
42Q85.1Confident74.1Confident71 Ų7172.2 Ų72.233%0.33239%0.393SS..  trans-107.6137.7-176.2-170.5166.515.800110.6D69 E70Q42-D69 PolarHBondContact N-OD1 3.24Å; Q42-D69 CarbonylContact O-C 3.57Å; Q42-D69 VanDerWaalsContact O-CA 3.3Å; Q42-D69 WeakPolarHBondContact O-CA 3.18Å; Q42-D69 WeakPolarHBondContact O-CB 3.41Å; Q42-E70 PolarHBondContact O-N 2.97Å
43S86.4Confident75.5Confident62 Ų6270.3 Ų70.343%0.43439%0.386SS..EExtended strand (participates in β ladder)trans-96.4120.5169.4-51.70000109.5E70S43-E70 CarbonylContact C-O 3.5Å; S43-E70 WeakPolarHBondContact CA-O 3.18Å; S43-E70 PolarHBondContact OG-OE2 3.48Å
44H89.7Confident76.9Confident4 Ų465.8 Ų65.82%0.01936%0.362CS..EExtended strand (participates in β ladder)trans-100.4108.7-179.7-58.3-84.8000111.2L63 D69 E70 I71 I72 W267H44-L63 HydrophobicContact CB-CD2 3.9Å; H44-D69 IonicContact CD2-OD2 3.81Å; H44-D69 IonicContact CE1-OD2 3.99Å; H44-D69 IonicContact NE2-OD2 2.95Å; H44-D69 PolarHBondContact NE2-OD2 2.87Å; H44-E70 PolarHBondContact N-O 3.47Å; H44-I71 CarbonylContact O-C 3.58Å; H44-I72 PolarHBondContact O-N 2.53Å; H44-W267 HydrophobicContact CB-CH2 4.2Å; H44-W267 HydrophobicContact CB-CZ2 3.74Å; H44-W267 AromaticContact ND1-CE2 3.99Å; H44-W267 AromaticContact ND1-CH2 3.55Å; H44-W267 AromaticContact ND1-CZ2 3.6Å; H44-W267 AromaticContact ND1-CZ3 3.94Å
45L89.7Confident78.5Confident54 Ų5462 Ų6228%0.28334%0.335SS..EExtended strand (participates in β ladder)trans-86.5127.5178-163.467.7000111.6Y47 I72 V74L45-Y47 HydrophobicContact CD2-CE2 3.64Å; L45-Y47 WeakPolarHBondContact CD2-OH 3.38Å; L45-Y47 HydrophobicContact CG-CE2 4.19Å; L45-I72 HydrophobicContact CD1-CB 3.79Å; L45-I72 HydrophobicContact CD1-CG2 3.69Å; L45-V74 HydrophobicContact CD1-CG2 3.47Å; L45-V74 VanDerWaalsContact CD1-CG2 3.47Å; L45-V74 HydrophobicContact CG-CG2 4.25Å
46I90.9Very high80.1Confident5 Ų558.1 Ų58.13%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-124.1108.9176.6-58.2165.2000108.6W48 I54 F55 L63 I71 I72 F73 V74 L244 I246I46-W48 HydrophobicContact CG2-CE3 4.04Å; I46-W48 PolarHBondContact O-N 3.42Å; I46-I54 HydrophobicContact CG2-CD1 4.09Å; I46-F55 HydrophobicContact CG2-CZ 4.49Å; I46-L63 HydrophobicContact CD1-CD2 4.4Å; I46-I71 HydrophobicContact CD1-CG2 3.5Å; I46-I71 VanDerWaalsContact CD1-CG2 3.5Å; I46-I71 HydrophobicContact CG1-CG2 4.46Å; I46-I72 PolarHBondContact N-O 3.19Å; I46-F73 HydrophobicContact CB-CD1 4.09Å; I46-F73 HydrophobicContact CB-CE1 4.34Å; I46-F73 HydrophobicContact CD1-CD1 4.26Å; I46-F73 HydrophobicContact CD1-CE1 3.74Å; I46-F73 HydrophobicContact CD1-CZ 3.98Å; I46-F73 HydrophobicContact CG2-CD1 4.09Å; I46-F73 HydrophobicContact CG2-CE1 4.2Å; I46-F73 CarbonylContact O-C 3.57Å; I46-F73 WeakPolarHBondContact O-CA 3.5Å; I46-V74 PolarHBondContact O-N 2.95Å; I46-L244 HydrophobicContact CD1-CD2 3.45Å; I46-L244 VanDerWaalsContact CD1-CD2 3.45Å; I46-L244 HydrophobicContact CG1-CD2 4.32Å; I46-L244 HydrophobicContact CG2-CD2 4.5Å; I46-I246 HydrophobicContact CD1-CD1 4.22Å
47Y90.7Very high81.3Confident93 Ų9355 Ų5537%0.36531%0.311SS..EExtended strand (participates in β ladder)trans-74107.9168.2-64.6-85.2000109L45 D49 N52 V74L45-Y47 HydrophobicContact CD2-CE2 3.64Å; L45-Y47 WeakPolarHBondContact CD2-OH 3.38Å; L45-Y47 HydrophobicContact CG-CE2 4.19Å; Y47-D49 PolarHBondContact O-N 3.17Å; Y47-N52 PolarHBondContact O-ND2 3.18Å; Y47-V74 HydrophobicContact CD1-CB 3.93Å; Y47-V74 HydrophobicContact CD1-CG1 3.94Å; Y47-V74 HydrophobicContact CE1-CB 4.25Å; Y47-V74 HydrophobicContact CE1-CG1 4.05Å
48W91.6Very high83Confident0 Ų060.8 Ų60.80%032%0.318CS..EExtended strand (participates in β ladder)trans-80.873.1179-157.6-101.8000109.4I46 F55 F73 V74 Y81 I82 F230 A232 M242I46-W48 HydrophobicContact CG2-CE3 4.04Å; I46-W48 PolarHBondContact O-N 3.42Å; W48-F55 AromaticContact CE3-CZ 3.82Å; W48-F55 HydrophobicContact CE3-CZ 3.82Å; W48-F55 HydrophobicContact CZ3-CE1 4.25Å; W48-F55 AromaticContact CZ3-CZ 3.9Å; W48-F55 HydrophobicContact CZ3-CZ 3.9Å; W48-F73 HydrophobicContact CD2-CD1 4.34Å; W48-F73 AromaticContact CE3-CD1 3.7Å; W48-F73 HydrophobicContact CE3-CD1 3.7Å; W48-F73 AromaticContact CE3-CE1 3.73Å; W48-F73 HydrophobicContact CE3-CE1 3.73Å; W48-F73 HydrophobicContact CZ3-CD1 4.21Å; W48-F73 AromaticContact CZ3-CE1 3.76Å; W48-F73 HydrophobicContact CZ3-CE1 3.76Å; W48-V74 PolarHBondContact N-O 2.98Å; W48-Y81 PolarHBondContact NE1-O 3.08Å; W48-I82 HydrophobicContact CB-CD1 4.32Å; W48-I82 HydrophobicContact CD2-CD1 4.31Å; W48-I82 HydrophobicContact CD2-CG1 3.99Å; W48-I82 HydrophobicContact CG-CD1 4.01Å; W48-I82 HydrophobicContact CG-CG1 3.83Å; W48-I82 HydrophobicContact CZ2-CG2 4.23Å; W48-F230 HydrophobicContact CH2-CB 3.82Å; W48-F230 HydrophobicContact CZ3-CB 4.26Å; W48-A232 HydrophobicContact CZ2-CB 4.42Å; W48-M242 HydrophobicContact CB-CE 4.08Å; W48-M242 HydrophobicContact CD2-CE 3.68Å; W48-M242 HydrophobicContact CG-CE 3.41Å; W48-M242 VanDerWaalsContact CG-CE 3.41Å; W48-M242 WeakPolarHBondContact O-CE 3.34Å
49D89.7Confident84.5Confident28 Ų2860 Ų6015%0.1531%0.312CS..  trans-132.3128.6-178.5-166.3-32.9000109.7Y47 D51 N52 F55 A76 M242Y47-D49 PolarHBondContact O-N 3.17Å; D49-D51 PolarHBondContact O-N 2.95Å; D49-D51 PolarHBondContact OD1-N 3.45Å; D49-N52 HydrophobicContact CB-CB 4.25Å; D49-N52 WeakPolarHBondContact O-CB 3.35Å; D49-N52 PolarHBondContact O-N 3.45Å; D49-F55 WeakPolarHBondContact O-CD2 3.4Å; D49-F55 WeakPolarHBondContact O-CE2 3.16Å; D49-A76 HydrophobicContact CB-CB 3.85Å; D49-A76 WeakPolarHBondContact OD2-CB 3.49Å; D49-M242 VanDerWaalsContact N-CE 3.26Å
50P89.6Confident85.8Confident8 Ų856.9 Ų56.95%0.05230%0.297CS..THydrogen-bonded Turntrans-59.8-21.2175.9-18.929.4000114.7N52 Q77 I80 V236 R240 M242P50-N52 VanDerWaalsContact C-N 3.33Å; P50-Q77 VanDerWaalsContact CG-OE1 3.27Å; P50-I80 HydrophobicContact CG-CD1 3.8Å; P50-V236 HydrophobicContact CB-CG1 4.27Å; P50-V236 HydrophobicContact CG-CG1 3.74Å; P50-R240 HydrophobicContact CB-CB 3.72Å; P50-R240 HydrophobicContact CB-CG 3.69Å; P50-M242 HydrophobicContact CB-SD 4.36Å; P50-M242 HydrophobicContact CG-CE 4.44Å; P50-M242 HydrophobicContact CG-SD 3.76Å
51D88.8Confident86.7Confident95 Ų9553.5 Ų53.551%0.50827%0.269SS..THydrogen-bonded Turntrans-88-2.3176.7-63-36000112.4D49 I53 Q56 R240D49-D51 PolarHBondContact O-N 2.95Å; D49-D51 PolarHBondContact OD1-N 3.45Å; D51-I53 PolarHBondContact O-N 2.9Å; D51-Q56 PolarHBondContact O-NE2 2.91Å; D51-Q56 VanDerWaalsContact O-NE2 3.08Å; D51-R240 IonicContact OD1-CZ 3.66Å; D51-R240 IonicContact OD1-NH1 2.74Å; D51-R240 PolarHBondContact OD1-NH1 3.48Å; D51-R240 IonicContact OD1-NH2 3.89Å
52N88.2Confident87.2Confident29 Ų2949.2 Ų49.216%0.15525%0.251CS..SBendtrans-67.6128.7173.8-172.9-12.1000110.7Y47 D49 P50 I54 F55Y47-N52 PolarHBondContact O-ND2 3.18Å; D49-N52 HydrophobicContact CB-CB 4.25Å; D49-N52 WeakPolarHBondContact O-CB 3.35Å; D49-N52 PolarHBondContact O-N 3.45Å; P50-N52 VanDerWaalsContact C-N 3.33Å; N52-I54 HydrophobicContact CB-CG1 4.26Å; N52-I54 WeakPolarHBondContact ND2-CD1 3.45Å; N52-I54 PolarHBondContact O-N 3.07Å; N52-I54 PolarHBondContact OD1-N 2.67Å; N52-F55 HydrophobicContact CB-CD2 3.98Å; N52-F55 HydrophobicContact CB-CE2 4.17Å; N52-F55 PolarHBondContact O-N 2.87Å
53I88.4Confident87.4Confident86 Ų8646.5 Ų46.544%0.44124%0.239SC..Hα-helixtrans-54-29.5-177.2-164.5163.7000113.2D51 F55 Q56 T57D51-I53 PolarHBondContact O-N 2.9Å; I53-F55 PolarHBondContact O-N 2.78Å; I53-Q56 PolarHBondContact O-N 2.85Å; I53-T57 PolarHBondContact O-N 2.96Å
54I86.6Confident87.6Confident29 Ų2946.6 Ų46.615%0.14923%0.23CC..Hα-helixtrans-58.7-31.9179.270.1179.4000112.8I46 N52 T57 F263I46-I54 HydrophobicContact CG2-CD1 4.09Å; N52-I54 HydrophobicContact CB-CG1 4.26Å; N52-I54 WeakPolarHBondContact ND2-CD1 3.45Å; N52-I54 PolarHBondContact O-N 3.07Å; N52-I54 PolarHBondContact OD1-N 2.67Å; I54-T57 PolarHBondContact O-OG1 3.24Å; I54-F263 HydrophobicContact CB-CE1 3.96Å; I54-F263 HydrophobicContact CB-CZ 3.66Å; I54-F263 HydrophobicContact CG2-CE1 3.84Å; I54-F263 HydrophobicContact CG2-CZ 3.91Å
55F89.7Confident87.7Confident0 Ų046.6 Ų46.60%023%0.23CC..Hα-helixtrans-88.5-17.5-179.8-57.2-57.1000112.8I46 W48 D49 N52 I53 T57 P61 N241 M242 L244I46-F55 HydrophobicContact CG2-CZ 4.49Å; W48-F55 AromaticContact CE3-CZ 3.82Å; W48-F55 HydrophobicContact CE3-CZ 3.82Å; W48-F55 HydrophobicContact CZ3-CE1 4.25Å; W48-F55 AromaticContact CZ3-CZ 3.9Å; W48-F55 HydrophobicContact CZ3-CZ 3.9Å; D49-F55 WeakPolarHBondContact O-CD2 3.4Å; D49-F55 WeakPolarHBondContact O-CE2 3.16Å; N52-F55 HydrophobicContact CB-CD2 3.98Å; N52-F55 HydrophobicContact CB-CE2 4.17Å; N52-F55 PolarHBondContact O-N 2.87Å; I53-F55 PolarHBondContact O-N 2.78Å; F55-T57 VanDerWaalsContact C-N 3.3Å; F55-P61 HydrophobicContact CD1-CG 4.42Å; F55-N241 WeakPolarHBondContact O-CB 3.48Å; F55-N241 PolarHBondContact O-ND2 3.19Å; F55-N241 VanDerWaalsContact O-ND2 3.08Å; F55-M242 HydrophobicContact CD1-CG 4.34Å; F55-M242 HydrophobicContact CD2-CG 3.98Å; F55-M242 HydrophobicContact CE1-CG 4.35Å; F55-M242 HydrophobicContact CE2-CE 4.02Å; F55-M242 HydrophobicContact CE2-CG 3.99Å; F55-M242 HydrophobicContact CG-CB 4.47Å; F55-M242 HydrophobicContact CG-CG 4.16Å; F55-M242 HydrophobicContact CZ-CE 4.49Å; F55-M242 HydrophobicContact CZ-CG 4.17Å; F55-L244 HydrophobicContact CE1-CB 4.42Å
56Q85.9Confident87.7Confident122 Ų12249.8 Ų49.857%0.5724%0.242SC*.Hα-helixtrans-79.2-17.8175.8-58.7178.316.100112.1D51 I53D51-Q56 PolarHBondContact O-NE2 2.91Å; D51-Q56 VanDerWaalsContact O-NE2 3.08Å; I53-Q56 PolarHBondContact O-N 2.85Å
57T79.5Confident87.6Confident41 Ų4153.1 Ų53.125%0.25226%0.263SS..SBendtrans-76146.2177.362.80000112.8I53 I54 F55 N241I53-T57 PolarHBondContact O-N 2.96Å; I54-T57 PolarHBondContact O-OG1 3.24Å; F55-T57 VanDerWaalsContact C-N 3.3Å; T57-N241 PolarHBondContact O-ND2 3.01Å
58K80.9Confident87.4Confident184 Ų18454.4 Ų54.480%0.827%0.271SS*.SBendtrans-121.8135.8165.6-67.5-175.7-179.5179.90108.1
59P81.1Confident87.3Confident53 Ų5354.6 Ų54.634%0.34427%0.272SS..SBendcis-68.2170.71.130.7-36.8000113.4
60V83.8Confident87.3Confident37 Ų3757.1 Ų57.122%0.22428%0.283CS..PPolyproline II helixtrans-56.6138.2178.8-178.70000109.7L62 F91 R243V60-L62 PolarHBondContact O-N 2.84Å; V60-F91 HydrophobicContact CB-CZ 4.27Å; V60-F91 HydrophobicContact CG1-CE1 4.22Å; V60-F91 HydrophobicContact CG1-CE2 4.15Å; V60-F91 HydrophobicContact CG1-CZ 3.44Å; V60-F91 VanDerWaalsContact CG1-CZ 3.44Å; V60-R243 HydrophobicContact CG1-CG 3.78Å; V60-R243 WeakPolarHBondContact CG1-O 3.47Å; V60-R243 HydrophobicContact CG2-CG 4.39Å
61P85.5Confident87.4Confident2 Ų256.7 Ų56.71%0.01328%0.28CS..PPolyproline II helixtrans-57.3139.9-179.324.7-38.8000112.9F55 R243 L244 G245 F263F55-P61 HydrophobicContact CD1-CG 4.42Å; P61-R243 VanDerWaalsContact CG-O 3.3Å; P61-R243 WeakPolarHBondContact CG-O 3.4Å; P61-L244 HydrophobicContact CB-CD1 3.51Å; P61-L244 HydrophobicContact CG-CB 4.23Å; P61-L244 HydrophobicContact CG-CD1 3.73Å; P61-L244 WeakPolarHBondContact O-CD1 3.25Å; P61-G245 PolarHBondContact O-N 3.39Å; P61-F263 HydrophobicContact CB-CD1 4.19Å; P61-F263 HydrophobicContact CB-CD2 3.79Å; P61-F263 HydrophobicContact CB-CE1 3.73Å; P61-F263 HydrophobicContact CB-CE2 3.31Å; P61-F263 HydrophobicContact CB-CG 4.23Å; P61-F263 HydrophobicContact CB-CZ 3.3Å; P61-F263 HydrophobicContact CG-CE2 4.45Å; P61-F263 HydrophobicContact CG-CZ 4.32Å
62L88.9Confident87.5Confident31 Ų3153.6 Ų53.616%0.16226%0.263CS..EExtended strand (participates in β ladder)trans-127.7113.3171.2-176.868.9000109V60 G245 V247 F251 V260V60-L62 PolarHBondContact O-N 2.84Å; L62-G245 CarbonylContact C-O 3.58Å; L62-G245 WeakPolarHBondContact CA-O 3.5Å; L62-V247 HydrophobicContact CD1-CG1 4.13Å; L62-V247 HydrophobicContact CD2-CG1 4.39Å; L62-V247 HydrophobicContact CG-CG1 4.3Å; L62-F251 HydrophobicContact CD2-CD1 4.07Å; L62-V260 HydrophobicContact CD2-CG1 3.99Å
63L90.5Very high87.7Confident13 Ų1352.2 Ų52.27%0.06826%0.256CS..EExtended strand (participates in β ladder)trans-93.6127.9177.1-178.266.1000110.1H44 I46 V65 L244 G245 I246 V247H44-L63 HydrophobicContact CB-CD2 3.9Å; I46-L63 HydrophobicContact CD1-CD2 4.4Å; L63-V65 HydrophobicContact CD2-CG1 3.97Å; L63-V65 HydrophobicContact CG-CG1 3.97Å; L63-L244 HydrophobicContact CB-CD1 4.28Å; L63-G245 PolarHBondContact N-O 2.97Å; L63-I246 HydrophobicContact CB-CG1 4.2Å; L63-I246 HydrophobicContact CB-CG2 4.5Å; L63-I246 HydrophobicContact CD2-CD1 4.33Å; L63-I246 CarbonylContact O-C 3.46Å; L63-I246 VanDerWaalsContact O-CA 3.29Å; L63-I246 WeakPolarHBondContact O-CA 3.29Å; L63-V247 PolarHBondContact O-N 3.49Å
64R90.7Very high87.7Confident64 Ų6449.3 Ų49.324%0.24224%0.242CC..EExtended strand (participates in β ladder)trans-95.3127.5172.9-68.1172.4176.6-110.48.7109.1V247 G249 D250R64-V247 WeakPolarHBondContact CA-O 3.42Å; R64-V247 HydrophobicContact CG-CG1 4.06Å; R64-G249 PolarHBondContact NH1-O 2.94Å; R64-D250 IonicContact CZ-OD1 3.94Å; R64-D250 IonicContact NH1-OD1 2.74Å; R64-D250 PolarHBondContact NH1-OD1 3.35Å
65V90.7Very high87.9Confident5 Ų548.4 Ų48.43%0.0324%0.238CC..EExtended strand (participates in β ladder)trans-124.3159.2-178.7-640000110.6L63 D69 I71 V210 I246 V247 N248L63-V65 HydrophobicContact CD2-CG1 3.97Å; L63-V65 HydrophobicContact CG-CG1 3.97Å; V65-D69 HydrophobicContact CB-CB 4.37Å; V65-I71 HydrophobicContact CG1-CD1 4.24Å; V65-I71 HydrophobicContact CG1-CG1 4.27Å; V65-V210 HydrophobicContact CB-CG1 4.35Å; V65-V210 HydrophobicContact CB-CG2 3.95Å; V65-V210 HydrophobicContact CG1-CG2 4.33Å; V65-V210 HydrophobicContact CG2-CB 4.4Å; V65-V210 HydrophobicContact CG2-CG1 3.7Å; V65-V210 HydrophobicContact CG2-CG2 3.79Å; V65-I246 HydrophobicContact CB-CG2 4.42Å; V65-I246 HydrophobicContact CG1-CG2 3.76Å; V65-I246 HydrophobicContact CG2-CG2 3.73Å; V65-V247 WeakPolarHBondContact CG2-O 3.38Å; V65-V247 PolarHBondContact N-O 2.95Å; V65-N248 HydrophobicContact CG2-CB 4.39Å; V65-N248 WeakPolarHBondContact O-CA 3.41Å
66K89.6Confident87.3Confident121 Ų12151 Ų5153%0.52626%0.26SS..  trans-110159.3171.6-67-179.3179.7-179.90110.2K68 D69 V210K66-K68 PolarHBondContact O-N 2.84Å; K66-D69 PolarHBondContact N-OD2 3.39Å; K66-D69 VanDerWaalsContact O-CB 3.27Å; K66-D69 WeakPolarHBondContact O-CB 3.3Å; K66-D69 PolarHBondContact O-N 2.83Å; K66-D69 VanDerWaalsContact O-N 3.09Å; K66-V210 WeakPolarHBondContact O-CG1 3.14Å
67P88.2Confident86.9Confident74 Ų7449.7 Ų49.748%0.48125%0.254SS..THydrogen-bonded Turntrans-52.5137.9172.3-25.535000111.2D69P67-D69 PolarHBondContact O-N 2.92Å
68K87.2Confident87Confident120 Ų12050.9 Ų50.952%0.52226%0.256SS..THydrogen-bonded Turntrans69.94.3-176.8-52.2168173.4-179.90115.9F41 K66 L209 V210F41-K68 HydrophobicContact CD1-CB 3.45Å; F41-K68 VanDerWaalsContact CD1-CB 3.45Å; F41-K68 HydrophobicContact CD1-CD 4.17Å; F41-K68 HydrophobicContact CD1-CG 4.44Å; F41-K68 HydrophobicContact CE1-CB 3.5Å; F41-K68 HydrophobicContact CE1-CD 3.34Å; F41-K68 HydrophobicContact CE1-CG 4.02Å; F41-K68 HydrophobicContact CE2-CD 4.08Å; F41-K68 HydrophobicContact CG-CB 4.02Å; F41-K68 HydrophobicContact CZ-CB 4.1Å; F41-K68 HydrophobicContact CZ-CD 3.28Å; F41-K68 HydrophobicContact CZ-CG 4.35Å; K66-K68 PolarHBondContact O-N 2.84Å; K68-L209 WeakPolarHBondContact O-CD1 3.17Å; K68-V210 PolarHBondContact N-O 2.81Å
69D90.5Very high87Confident5 Ų544.5 Ų44.53%0.02724%0.235CC..  trans-61.5149.4164.3-77.2-5.3000110.3Q42 H44 V65 K66 P67 V210Q42-D69 PolarHBondContact N-OD1 3.24Å; Q42-D69 CarbonylContact O-C 3.57Å; Q42-D69 VanDerWaalsContact O-CA 3.3Å; Q42-D69 WeakPolarHBondContact O-CA 3.18Å; Q42-D69 WeakPolarHBondContact O-CB 3.41Å; H44-D69 IonicContact CD2-OD2 3.81Å; H44-D69 IonicContact CE1-OD2 3.99Å; H44-D69 IonicContact NE2-OD2 2.95Å; H44-D69 PolarHBondContact NE2-OD2 2.87Å; V65-D69 HydrophobicContact CB-CB 4.37Å; K66-D69 PolarHBondContact N-OD2 3.39Å; K66-D69 VanDerWaalsContact O-CB 3.27Å; K66-D69 WeakPolarHBondContact O-CB 3.3Å; K66-D69 PolarHBondContact O-N 2.83Å; K66-D69 VanDerWaalsContact O-N 3.09Å; P67-D69 PolarHBondContact O-N 2.92Å; D69-V210 HydrophobicContact CB-CB 4.38Å; D69-V210 HydrophobicContact CB-CG2 4.09Å; D69-V210 WeakPolarHBondContact O-CB 3.45Å; D69-V210 WeakPolarHBondContact O-CG2 3.04Å; D69-V210 PolarHBondContact O-N 2.91Å
70E89.8Confident87.3Confident80 Ų8042.2 Ų42.237%0.37422%0.22SC..EExtended strand (participates in β ladder)trans-103.4130176-65.3178.3159.300109.4Q42 S43 H44 T207 L209Q42-E70 PolarHBondContact O-N 2.97Å; S43-E70 CarbonylContact C-O 3.5Å; S43-E70 WeakPolarHBondContact CA-O 3.18Å; S43-E70 PolarHBondContact OG-OE2 3.48Å; H44-E70 PolarHBondContact N-O 3.47Å; E70-T207 HydrophobicContact CB-CG2 4.04Å; E70-T207 HydrophobicContact CG-CG2 4.32Å; E70-L209 HydrophobicContact CG-CD1 4.05Å
71I91.6Very high87.7Confident0 Ų044.2 Ų44.20%022%0.224CC..EExtended strand (participates in β ladder)trans-108.2115.6173.2-57.7156.9000107.9H44 I46 V65 F73 T207 L208 V210 F222 I246H44-I71 CarbonylContact O-C 3.58Å; I46-I71 HydrophobicContact CD1-CG2 3.5Å; I46-I71 VanDerWaalsContact CD1-CG2 3.5Å; I46-I71 HydrophobicContact CG1-CG2 4.46Å; V65-I71 HydrophobicContact CG1-CD1 4.24Å; V65-I71 HydrophobicContact CG1-CG1 4.27Å; I71-F73 HydrophobicContact CG2-CD2 4.18Å; I71-F73 HydrophobicContact CG2-CE2 3.63Å; I71-F73 HydrophobicContact CG2-CZ 3.95Å; I71-T207 CarbonylContact O-C 3.55Å; I71-T207 WeakPolarHBondContact O-CA 3.21Å; I71-L208 HydrophobicContact CB-CB 4.28Å; I71-L208 HydrophobicContact CD1-CD2 4.34Å; I71-L208 PolarHBondContact N-O 3.09Å; I71-L208 PolarHBondContact O-N 3.38Å; I71-V210 HydrophobicContact CD1-CG2 3.5Å; I71-V210 HydrophobicContact CG1-CG2 3.95Å; I71-F222 HydrophobicContact CD1-CE1 4.22Å; I71-F222 HydrophobicContact CD1-CE2 4.42Å; I71-F222 HydrophobicContact CD1-CZ 3.8Å; I71-I246 HydrophobicContact CD1-CD1 3.81Å; I71-I246 HydrophobicContact CD1-CG2 3.93Å; I71-I246 HydrophobicContact CG2-CD1 4.07Å
72I90.6Very high88Confident29 Ų2944.1 Ų44.115%0.14922%0.223CC..EExtended strand (participates in β ladder)trans-108.9105.8-174.4-53173.7000108.8H44 L45 I46 V74 Q205 F206 T207H44-I72 PolarHBondContact O-N 2.53Å; L45-I72 HydrophobicContact CD1-CB 3.79Å; L45-I72 HydrophobicContact CD1-CG2 3.69Å; I46-I72 PolarHBondContact N-O 3.19Å; I72-V74 HydrophobicContact CG2-CG2 4.28Å; I72-Q205 HydrophobicContact CG2-CB 4.47Å; I72-F206 CarbonylContact C-O 3.56Å; I72-F206 WeakPolarHBondContact CA-O 3.11Å; I72-T207 HydrophobicContact CG1-CG2 4.07Å
73F91.3Very high88.3Confident0 Ų043.1 Ų43.10%022%0.218CC..EExtended strand (participates in β ladder)trans-82.9127.3171.5-66.8-86.9000110.2I46 W48 I71 I82 L107 Q205 F206 L208 F230 I246I46-F73 HydrophobicContact CB-CD1 4.09Å; I46-F73 HydrophobicContact CB-CE1 4.34Å; I46-F73 HydrophobicContact CD1-CD1 4.26Å; I46-F73 HydrophobicContact CD1-CE1 3.74Å; I46-F73 HydrophobicContact CD1-CZ 3.98Å; I46-F73 HydrophobicContact CG2-CD1 4.09Å; I46-F73 HydrophobicContact CG2-CE1 4.2Å; I46-F73 CarbonylContact O-C 3.57Å; I46-F73 WeakPolarHBondContact O-CA 3.5Å; W48-F73 HydrophobicContact CD2-CD1 4.34Å; W48-F73 AromaticContact CE3-CD1 3.7Å; W48-F73 HydrophobicContact CE3-CD1 3.7Å; W48-F73 AromaticContact CE3-CE1 3.73Å; W48-F73 HydrophobicContact CE3-CE1 3.73Å; W48-F73 HydrophobicContact CZ3-CD1 4.21Å; W48-F73 AromaticContact CZ3-CE1 3.76Å; W48-F73 HydrophobicContact CZ3-CE1 3.76Å; I71-F73 HydrophobicContact CG2-CD2 4.18Å; I71-F73 HydrophobicContact CG2-CE2 3.63Å; I71-F73 HydrophobicContact CG2-CZ 3.95Å; F73-I82 HydrophobicContact CB-CD1 3.6Å; F73-I82 HydrophobicContact CD1-CD1 3.96Å; F73-I82 HydrophobicContact CD1-CG2 4.37Å; F73-I82 HydrophobicContact CE1-CG2 4.31Å; F73-I82 HydrophobicContact CG-CD1 3.84Å; F73-L107 HydrophobicContact CD2-CD2 4.19Å; F73-L107 HydrophobicContact CE2-CD2 3.99Å; F73-Q205 CarbonylContact O-C 3.53Å; F73-Q205 VanDerWaalsContact O-CA 3.23Å; F73-Q205 WeakPolarHBondContact O-CA 3.14Å; F73-F206 HydrophobicContact CD2-CD1 4.27Å; F73-F206 PolarHBondContact N-O 2.89Å; F73-F206 PolarHBondContact O-N 2.84Å; F73-L208 HydrophobicContact CE2-CD2 4.44Å; F73-F230 HydrophobicContact CE1-CD1 4.47Å; F73-F230 HydrophobicContact CE2-CD1 4.46Å; F73-F230 HydrophobicContact CE2-CE1 4.22Å; F73-F230 AromaticContact CZ-CD1 3.79Å; F73-F230 HydrophobicContact CZ-CD1 3.79Å; F73-F230 AromaticContact CZ-CE1 3.92Å; F73-F230 HydrophobicContact CZ-CE1 3.92Å; F73-F230 HydrophobicContact CZ-CG 4.14Å; F73-F230 HydrophobicContact CZ-CZ 4.37Å; F73-I246 HydrophobicContact CZ-CD1 4.4Å
74V89.8Confident88.5Confident26 Ų2643.4 Ų43.416%0.15822%0.218CC..EExtended strand (participates in β ladder)trans-114.9114.5176.1-177.80000109.6L45 I46 Y47 W48 I72 A76 S204L45-V74 HydrophobicContact CD1-CG2 3.47Å; L45-V74 VanDerWaalsContact CD1-CG2 3.47Å; L45-V74 HydrophobicContact CG-CG2 4.25Å; I46-V74 PolarHBondContact O-N 2.95Å; Y47-V74 HydrophobicContact CD1-CB 3.93Å; Y47-V74 HydrophobicContact CD1-CG1 3.94Å; Y47-V74 HydrophobicContact CE1-CB 4.25Å; Y47-V74 HydrophobicContact CE1-CG1 4.05Å; W48-V74 PolarHBondContact N-O 2.98Å; I72-V74 HydrophobicContact CG2-CG2 4.28Å; V74-A76 PolarHBondContact O-N 3.38Å; V74-S204 CarbonylContact C-O 3.58Å; V74-S204 WeakPolarHBondContact CA-O 3.25Å
75C89.5Confident88.6Confident10 Ų1040.4 Ų40.47%0.06821%0.207CC..EExtended strand (participates in β ladder)trans-74.4109174.1-68.90000110.7C110 S204C75-C110 HydrophobicContact CB-CB 3.55Å; C75-C110 WeakPolarHBondContact CB-SG 3.31Å; C75-C110 WeakPolarHBondContact SG-CA 3.45Å; C75-C110 WeakPolarHBondContact SG-CB 3.17Å; C75-C110 CovalentContact SG-SG 2.03Å; C75-C110 PolarHBondContact SG-SG 2.85Å; C75-S204 PolarHBondContact N-O 2.79Å
76A78.5Confident88.7Confident55 Ų5542.7 Ų42.746%0.45522%0.216SC..  trans-88.8-39.1170.600000111.7D49 V74D49-A76 HydrophobicContact CB-CB 3.85Å; D49-A76 WeakPolarHBondContact OD2-CB 3.49Å; V74-A76 PolarHBondContact O-N 3.38Å
77Q76.9Confident88.8Confident94 Ų9440.4 Ų40.444%0.43921%0.207SC..SBendtrans-99.3150.5178.5-165.3167.222.700112.1P50 I80 C110P50-Q77 VanDerWaalsContact CG-OE1 3.27Å; Q77-I80 HydrophobicContact CB-CD1 3.71Å; Q77-I80 HydrophobicContact CB-CG1 4.28Å; Q77-I80 HydrophobicContact CG-CD1 4.03Å; Q77-I80 HydrophobicContact CG-CG1 4.39Å; Q77-C110 WeakPolarHBondContact O-CB 3.32Å
78E80.5Confident88.9Confident65 Ų6539.8 Ų39.830%0.30420%0.197SC..THydrogen-bonded Turntrans-78.6153.7-179.4-65.5170.6-121.700111.9I80 K113E78-I80 PolarHBondContact O-N 2.9Å; E78-K113 VanDerWaalsContact CD-CB 3.48Å; E78-K113 HydrophobicContact CG-CB 4.32Å; E78-K113 HydrophobicContact CG-CD 4.36Å; E78-K113 HydrophobicContact CG-CG 3.79Å; E78-K113 WeakPolarHBondContact OE1-CD 3.46Å; E78-K113 WeakPolarHBondContact OE1-CE 3.29Å; E78-K113 WeakPolarHBondContact OE1-CG 3.24Å; E78-K113 IonicContact OE1-NZ 2.67Å; E78-K113 PolarHBondContact OE1-NZ 3.05Å; E78-K113 VanDerWaalsContact OE2-CB 3.25Å; E78-K113 WeakPolarHBondContact OE2-CB 3.33Å; E78-K113 PolarHBondContact OE2-N 3.41Å
79S81Confident89Confident51 Ų5140.5 Ų40.536%0.35720%0.2SC..THydrogen-bonded Turntrans58.815.1169.2-41.80000116.2C110 D112S79-C110 PolarHBondContact N-O 2.91Å; S79-D112 WeakPolarHBondContact CA-OD1 3.33Å; S79-D112 WeakPolarHBondContact CB-OD1 3.4Å; S79-D112 PolarHBondContact N-OD1 3.36Å; S79-D112 PolarHBondContact OG-OD1 3.39Å
80I88.1Confident89Confident5 Ų540.3 Ų40.33%0.02620%0.199CC..  trans-83.2136.8171.9-60.9-171.1000109.9P50 Q77 E78 C110 A232 M242P50-I80 HydrophobicContact CG-CD1 3.8Å; Q77-I80 HydrophobicContact CB-CD1 3.71Å; Q77-I80 HydrophobicContact CB-CG1 4.28Å; Q77-I80 HydrophobicContact CG-CD1 4.03Å; Q77-I80 HydrophobicContact CG-CG1 4.39Å; E78-I80 PolarHBondContact O-N 2.9Å; I80-C110 WeakPolarHBondContact O-CB 3.5Å; I80-C110 PolarHBondContact O-N 2.67Å; I80-C110 PolarHBondContact O-SG 3.48Å; I80-C110 VanDerWaalsContact O-SG 3.39Å; I80-A232 HydrophobicContact CG2-CB 4.29Å; I80-M242 HydrophobicContact CD1-CE 4.36Å; I80-M242 HydrophobicContact CD1-SD 4.25Å; I80-M242 HydrophobicContact CG2-CE 4.33Å; I80-M242 HydrophobicContact CG2-SD 4.25Å
81Y91.9Very high89.2Confident78 Ų7837 Ų3731%0.30618%0.183SC..EExtended strand (participates in β ladder)trans-88.2141.2170-58-61.9000111.5W48 L106 K109 A232 Q233W48-Y81 PolarHBondContact NE1-O 3.08Å; Y81-L106 HydrophobicContact CD1-CD1 3.83Å; Y81-L106 HydrophobicContact CG-CD1 4.3Å; Y81-K109 HydrophobicContact CD1-CB 3.76Å; Y81-K109 HydrophobicContact CD1-CD 4.31Å; Y81-K109 HydrophobicContact CD1-CG 3.7Å; Y81-K109 HydrophobicContact CE1-CB 3.77Å; Y81-K109 HydrophobicContact CE1-CD 3.49Å; Y81-K109 VanDerWaalsContact CE1-CD 3.49Å; Y81-K109 HydrophobicContact CE1-CG 3.37Å; Y81-K109 PolarHBondContact OH-NZ 3.27Å; Y81-A232 WeakPolarHBondContact O-CA 3.22Å; Y81-Q233 HydrophobicContact CD2-CB 4.16Å
82I92.8Very high89.1Confident0 Ų042.6 Ų42.60%021%0.209CC..EExtended strand (participates in β ladder)trans-102107.4163-51.8-178.9000105.7W48 F73 L107 L108 F230W48-I82 HydrophobicContact CB-CD1 4.32Å; W48-I82 HydrophobicContact CD2-CD1 4.31Å; W48-I82 HydrophobicContact CD2-CG1 3.99Å; W48-I82 HydrophobicContact CG-CD1 4.01Å; W48-I82 HydrophobicContact CG-CG1 3.83Å; W48-I82 HydrophobicContact CZ2-CG2 4.23Å; F73-I82 HydrophobicContact CB-CD1 3.6Å; F73-I82 HydrophobicContact CD1-CD1 3.96Å; F73-I82 HydrophobicContact CD1-CG2 4.37Å; F73-I82 HydrophobicContact CE1-CG2 4.31Å; F73-I82 HydrophobicContact CG-CD1 3.84Å; I82-L107 HydrophobicContact CB-CB 4.28Å; I82-L107 HydrophobicContact CG2-CB 4.13Å; I82-L107 HydrophobicContact CG2-CD2 3.8Å; I82-L107 VanDerWaalsContact O-CB 3.31Å; I82-L107 WeakPolarHBondContact O-CB 3.33Å; I82-L107 PolarHBondContact O-N 3.3Å; I82-L108 HydrophobicContact CB-CB 4.28Å; I82-L108 HydrophobicContact CD1-CB 4.15Å; I82-L108 HydrophobicContact CD1-CD2 3.92Å; I82-L108 HydrophobicContact CG1-CB 4.35Å; I82-L108 PolarHBondContact N-O 3.5Å; I82-L108 PolarHBondContact O-N 3.07Å; I82-F230 HydrophobicContact CG2-CD1 4.19Å
83L94.5Very high89.2Confident10 Ų1044 Ų445%0.05222%0.222CC..EExtended strand (participates in β ladder)trans-105154.8177.2-52.1174.1000109.4V104 N105 L106 F230 L231L83-V104 HydrophobicContact CB-CB 4.49Å; L83-V104 HydrophobicContact CD1-CG2 4.41Å; L83-N105 CarbonylContact C-O 3.55Å; L83-N105 VanDerWaalsContact CA-O 3.25Å; L83-N105 WeakPolarHBondContact CA-O 3.37Å; L83-L106 HydrophobicContact CD2-CB 4.29Å; L83-L106 HydrophobicContact CD2-CD1 3.76Å; L83-F230 CarbonylContact O-C 3.47Å; L83-F230 VanDerWaalsContact O-CA 3.24Å; L83-F230 WeakPolarHBondContact O-CA 3.4Å; L83-L231 HydrophobicContact CB-CD2 4.2Å; L83-L231 HydrophobicContact CB-CG 4.19Å; L83-L231 WeakPolarHBondContact CB-O 3.39Å; L83-L231 PolarHBondContact N-O 3.01Å; L83-L231 PolarHBondContact O-N 3.35Å
84W94.9Very high89.3Confident19 Ų1944.1 Ų44.17%0.07222%0.223CC..EExtended strand (participates in β ladder)trans-137.5150.717673-91.8000112.9Y86 N105 G218 P220 V228 Y229 F230W84-Y86 AromaticContact CH2-CE2 3.95Å; W84-Y86 HydrophobicContact CH2-CE2 3.95Å; W84-Y86 AromaticContact CZ3-CD2 3.85Å; W84-Y86 HydrophobicContact CZ3-CD2 3.85Å; W84-Y86 AromaticContact CZ3-CE2 3.41Å; W84-Y86 HydrophobicContact CZ3-CE2 3.41Å; W84-Y86 VanDerWaalsContact CZ3-CE2 3.41Å; W84-Y86 AromaticContact CZ3-CZ 3.81Å; W84-N105 HydrophobicContact CD2-CB 3.96Å; W84-N105 VanDerWaalsContact CE2-CB 3.43Å; W84-N105 HydrophobicContact CG-CB 4.23Å; W84-N105 WeakPolarHBondContact CH2-ND2 3.46Å; W84-N105 HydrophobicContact CZ2-CB 3.78Å; W84-N105 WeakPolarHBondContact CZ2-ND2 3.38Å; W84-N105 PolarHBondContact N-O 3.27Å; W84-N105 PolarHBondContact O-N 2.96Å; W84-G218 PolarHBondContact NE1-O 3.47Å; W84-P220 HydrophobicContact CD2-CB 3.8Å; W84-P220 HydrophobicContact CD2-CG 4.16Å; W84-P220 HydrophobicContact CE3-CB 3.71Å; W84-P220 HydrophobicContact CG-CB 4.41Å; W84-P220 HydrophobicContact CG-CG 4.3Å; W84-P220 HydrophobicContact CH2-CB 4.2Å; W84-P220 HydrophobicContact CZ2-CB 4.27Å; W84-P220 HydrophobicContact CZ3-CB 3.94Å; W84-V228 HydrophobicContact CE3-CG1 4.29Å; W84-Y229 CarbonylContact C-O 3.47Å; W84-Y229 WeakPolarHBondContact CA-O 3.23Å; W84-F230 HydrophobicContact CB-CD1 3.85Å; W84-F230 HydrophobicContact CB-CE1 3.84Å; W84-F230 HydrophobicContact CB-CZ 4.5Å
85T93.3Very high89.5Confident2 Ų244.1 Ų44.11%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-153.2159.6177.2-172.30000111.5E87 V90 M103 Y229 L231T85-E87 PolarHBondContact OG1-N 2.97Å; T85-V90 HydrophobicContact CG2-CB 4.34Å; T85-V90 HydrophobicContact CG2-CG1 4.23Å; T85-M103 WeakPolarHBondContact CB-O 3.41Å; T85-M103 PolarHBondContact OG1-O 3.47Å; T85-Y229 PolarHBondContact N-O 3.42Å; T85-Y229 WeakPolarHBondContact O-CB 3.44Å; T85-Y229 PolarHBondContact O-N 3.04Å; T85-L231 HydrophobicContact CG2-CD2 4.11Å
86Y91.8Very high89.5Confident52 Ų5246.4 Ų46.420%0.20423%0.234CC..SBendtrans-94.7-9.8166-62.8-70.2000112.7W84 F88 S221 V228W84-Y86 AromaticContact CH2-CE2 3.95Å; W84-Y86 HydrophobicContact CH2-CE2 3.95Å; W84-Y86 AromaticContact CZ3-CD2 3.85Å; W84-Y86 HydrophobicContact CZ3-CD2 3.85Å; W84-Y86 AromaticContact CZ3-CE2 3.41Å; W84-Y86 HydrophobicContact CZ3-CE2 3.41Å; W84-Y86 VanDerWaalsContact CZ3-CE2 3.41Å; W84-Y86 AromaticContact CZ3-CZ 3.81Å; Y86-F88 PolarHBondContact O-N 2.85Å; Y86-S221 PolarHBondContact OH-N 3.14Å; Y86-S221 PolarHBondContact OH-O 3.42Å; Y86-S221 VanDerWaalsContact OH-O 3.07Å; Y86-S221 PolarHBondContact OH-OG 3.46Å; Y86-V228 HydrophobicContact CD1-CG2 4.3Å; Y86-V228 HydrophobicContact CE1-CG2 3.79Å
87E91.9Very high90Very high74 Ų7450.9 Ų50.935%0.34624%0.24SC..  trans-86.6110.8-172.4-66.9-56.5147.700111.5T85 K89 V90 F91 L98 M103T85-E87 PolarHBondContact OG1-N 2.97Å; E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 PolarHBondContact O-N 3.27Å; E87-V90 HydrophobicContact CB-CB 4.03Å; E87-V90 HydrophobicContact CB-CG2 3.68Å; E87-V90 HydrophobicContact CG-CG2 4.5Å; E87-V90 PolarHBondContact O-N 2.86Å; E87-F91 PolarHBondContact O-N 2.82Å; E87-L98 HydrophobicContact CG-CD2 4.43Å; E87-M103 HydrophobicContact CG-CB 4.29Å; E87-M103 HydrophobicContact CG-CG 4.24Å; E87-M103 HydrophobicContact CG-SD 4.04Å
88F90.2Very high90.2Very high60 Ų6048.3 Ų48.326%0.26323%0.229SC..Hα-helixtrans-61.3-38.7-178.8177.4-109.5000112.6Y86 V90 F91 E92 Y229 L254Y86-F88 PolarHBondContact O-N 2.85Å; F88-V90 VanDerWaalsContact C-N 3.3Å; F88-V90 PolarHBondContact O-N 2.85Å; F88-F91 AromaticContact CD2-CD1 3.78Å; F88-F91 HydrophobicContact CD2-CD1 3.78Å; F88-F91 HydrophobicContact CD2-CE1 4.38Å; F88-F91 AromaticContact CE2-CD1 3.71Å; F88-F91 HydrophobicContact CE2-CD1 3.71Å; F88-F91 HydrophobicContact CE2-CE1 4.02Å; F88-F91 WeakPolarHBondContact O-CB 3.43Å; F88-F91 PolarHBondContact O-N 2.76Å; F88-E92 HydrophobicContact CE1-CB 4.21Å; F88-E92 WeakPolarHBondContact CE1-OE2 3.25Å; F88-E92 HydrophobicContact CE2-CB 4.46Å; F88-E92 HydrophobicContact CZ-CB 4.08Å; F88-E92 HydrophobicContact CZ-CG 4.35Å; F88-E92 WeakPolarHBondContact O-CB 3.47Å; F88-E92 PolarHBondContact O-N 3.43Å; F88-Y229 HydrophobicContact CB-CE2 3.86Å; F88-Y229 HydrophobicContact CD2-CE1 4Å; F88-Y229 HydrophobicContact CD2-CE2 4.18Å; F88-Y229 AromaticContact CD2-CZ 3.62Å; F88-Y229 WeakPolarHBondContact CD2-OH 3.47Å; F88-L254 HydrophobicContact CD1-CD2 4.02Å; F88-L254 HydrophobicContact CD2-CD1 3.72Å; F88-L254 HydrophobicContact CD2-CD2 4.33Å; F88-L254 HydrophobicContact CE1-CD1 4.4Å; F88-L254 HydrophobicContact CE1-CD2 3.46Å; F88-L254 VanDerWaalsContact CE1-CD2 3.46Å; F88-L254 HydrophobicContact CE2-CD1 3.14Å; F88-L254 HydrophobicContact CE2-CD2 3.82Å; F88-L254 HydrophobicContact CE2-CG 4.07Å; F88-L254 HydrophobicContact CG-CD2 4.43Å; F88-L254 HydrophobicContact CZ-CD1 3.54Å; F88-L254 HydrophobicContact CZ-CD2 3.34Å; F88-L254 HydrophobicContact CZ-CG 4.07Å
89K89.8Confident90.2Very high136 Ų13651.8 Ų51.859%0.59125%0.249SC*.Hα-helixtrans-58.5-42.6178.9-68.6-177.3178.4179.70112E87 E92 S93 L98E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 PolarHBondContact O-N 3.27Å; K89-E92 PolarHBondContact O-N 3.11Å; K89-S93 WeakPolarHBondContact O-CB 3.18Å; K89-S93 PolarHBondContact O-N 2.79Å; K89-S93 PolarHBondContact O-OG 3.28Å; K89-L98 HydrophobicContact CB-CD1 3.97Å; K89-L98 HydrophobicContact CD-CD1 4.16Å
90V90.8Very high90.2Very high0 Ų056.8 Ų56.80%027%0.272CS..Hα-helixtrans-65.4-41.8179.3176.80000110.8T85 E87 F88 C94 S95 L98 M103 V104T85-V90 HydrophobicContact CG2-CB 4.34Å; T85-V90 HydrophobicContact CG2-CG1 4.23Å; E87-V90 HydrophobicContact CB-CB 4.03Å; E87-V90 HydrophobicContact CB-CG2 3.68Å; E87-V90 HydrophobicContact CG-CG2 4.5Å; E87-V90 PolarHBondContact O-N 2.86Å; F88-V90 VanDerWaalsContact C-N 3.3Å; F88-V90 PolarHBondContact O-N 2.85Å; V90-C94 WeakPolarHBondContact O-CA 3.14Å; V90-C94 PolarHBondContact O-N 2.86Å; V90-S95 WeakPolarHBondContact CG1-O 3.42Å; V90-S95 PolarHBondContact O-N 2.89Å; V90-L98 HydrophobicContact CG2-CB 3.81Å; V90-L98 HydrophobicContact CG2-CD1 4.45Å; V90-L98 HydrophobicContact CG2-CD2 4.47Å; V90-L98 HydrophobicContact CG2-CG 4.48Å; V90-M103 HydrophobicContact CG1-CB 4.5Å; V90-M103 HydrophobicContact CG2-CB 3.77Å; V90-M103 HydrophobicContact CG2-CG 4.33Å; V90-V104 HydrophobicContact CG1-CG1 3.47Å; V90-V104 VanDerWaalsContact CG1-CG1 3.47Å
91F92.7Very high90.2Very high10 Ų1061.2 Ų61.24%0.04430%0.296CS..Hα-helixtrans-65-43.1174.8168.1-102.2000113V60 E87 F88 C94 Y229 R243V60-F91 HydrophobicContact CB-CZ 4.27Å; V60-F91 HydrophobicContact CG1-CE1 4.22Å; V60-F91 HydrophobicContact CG1-CE2 4.15Å; V60-F91 HydrophobicContact CG1-CZ 3.44Å; V60-F91 VanDerWaalsContact CG1-CZ 3.44Å; E87-F91 PolarHBondContact O-N 2.82Å; F88-F91 AromaticContact CD2-CD1 3.78Å; F88-F91 HydrophobicContact CD2-CD1 3.78Å; F88-F91 HydrophobicContact CD2-CE1 4.38Å; F88-F91 AromaticContact CE2-CD1 3.71Å; F88-F91 HydrophobicContact CE2-CD1 3.71Å; F88-F91 HydrophobicContact CE2-CE1 4.02Å; F88-F91 WeakPolarHBondContact O-CB 3.43Å; F88-F91 PolarHBondContact O-N 2.76Å; F91-C94 PolarHBondContact O-N 3.15Å; F91-Y229 HydrophobicContact CB-CD1 4.19Å; F91-Y229 HydrophobicContact CB-CD2 4.21Å; F91-Y229 HydrophobicContact CB-CG 3.79Å; F91-Y229 AromaticContact CD1-CD1 3.63Å; F91-Y229 HydrophobicContact CD1-CD1 3.63Å; F91-Y229 AromaticContact CD1-CE1 3.93Å; F91-Y229 HydrophobicContact CD1-CE1 3.93Å; F91-Y229 HydrophobicContact CD1-CG 4.14Å; F91-Y229 AromaticContact CD2-CD1 3.76Å; F91-Y229 HydrophobicContact CD2-CD1 3.76Å; F91-Y229 AromaticContact CD2-CG 3.89Å; F91-Y229 HydrophobicContact CD2-CG 3.89Å; F91-Y229 AromaticContact CE1-CD1 3.71Å; F91-Y229 HydrophobicContact CE1-CD1 3.71Å; F91-Y229 AromaticContact CE1-CE1 3.92Å; F91-Y229 HydrophobicContact CE1-CE1 3.92Å; F91-Y229 AromaticContact CE2-CD1 3.78Å; F91-Y229 HydrophobicContact CE2-CD1 3.78Å; F91-Y229 HydrophobicContact CE2-CG 4.33Å; F91-Y229 AromaticContact CG-CD1 3.6Å; F91-Y229 HydrophobicContact CG-CD1 3.6Å; F91-Y229 HydrophobicContact CG-CD2 4.5Å; F91-Y229 HydrophobicContact CG-CE1 4.34Å; F91-Y229 AromaticContact CG-CG 3.7Å; F91-Y229 HydrophobicContact CG-CG 3.7Å; F91-Y229 AromaticContact CZ-CD1 3.72Å; F91-Y229 HydrophobicContact CZ-CD1 3.72Å; F91-Y229 HydrophobicContact CZ-CE1 4.27Å; F91-R243 HydrophobicContact CD2-CB 4.05Å; F91-R243 HydrophobicContact CE2-CB 3.64Å; F91-R243 HydrophobicContact CE2-CG 4.02Å; F91-R243 HydrophobicContact CZ-CB 4.49Å; F91-R243 HydrophobicContact CZ-CG 4.43Å; F91-R243 PolarHBondContact O-NH1 2.82Å
92E90.4Very high89.9Confident118 Ų11862 Ų6255%0.55131%0.305SS*.Hα-helixtrans-66.9-44.6179.5-173.7179.4-16200111.5F88 K89 C94 R243F88-E92 HydrophobicContact CE1-CB 4.21Å; F88-E92 WeakPolarHBondContact CE1-OE2 3.25Å; F88-E92 HydrophobicContact CE2-CB 4.46Å; F88-E92 HydrophobicContact CZ-CB 4.08Å; F88-E92 HydrophobicContact CZ-CG 4.35Å; F88-E92 WeakPolarHBondContact O-CB 3.47Å; F88-E92 PolarHBondContact O-N 3.43Å; K89-E92 PolarHBondContact O-N 3.11Å; E92-C94 VanDerWaalsContact C-N 3.31Å; E92-C94 PolarHBondContact O-N 2.81Å; E92-R243 VanDerWaalsContact C-NH1 3.35Å; E92-R243 PolarHBondContact O-NH1 3.24Å
93S92.1Very high89.7Confident58 Ų5864.9 Ų64.941%0.40632%0.319SS..THydrogen-bonded Turntrans-83.8-0.8179.466.90000114K89 S95 H238K89-S93 WeakPolarHBondContact O-CB 3.18Å; K89-S93 PolarHBondContact O-N 2.79Å; K89-S93 PolarHBondContact O-OG 3.28Å; S93-S95 PolarHBondContact O-N 2.87Å; S93-S95 WeakPolarHBondContact OG-CB 2.92Å; S93-S95 PolarHBondContact OG-OG 2.74Å; S93-S95 VanDerWaalsContact OG-OG 3.05Å; S93-H238 PolarHBondContact O-CE1 3.48Å; S93-H238 PolarHBondContact O-NE2 3.41Å
94C94.3Very high89.5Confident3 Ų364.7 Ų64.72%0.0232%0.318CS..THydrogen-bonded Turntrans49.430.1-172-71.30000113.3V90 F91 E92 P234 C237V90-C94 WeakPolarHBondContact O-CA 3.14Å; V90-C94 PolarHBondContact O-N 2.86Å; F91-C94 PolarHBondContact O-N 3.15Å; E92-C94 VanDerWaalsContact C-N 3.31Å; E92-C94 PolarHBondContact O-N 2.81Å; C94-P234 WeakPolarHBondContact O-CB 3.08Å; C94-C237 HydrophobicContact CB-CB 3.58Å; C94-C237 WeakPolarHBondContact CB-SG 2.86Å; C94-C237 WeakPolarHBondContact SG-CB 3.26Å; C94-C237 CovalentContact SG-SG 2.04Å; C94-C237 PolarHBondContact SG-SG 3.37Å
95S92.9Very high89.3Confident27 Ų2767.6 Ų67.619%0.18934%0.335CS..  trans-86.2166.4-179.669.30000110.3V90 S93 W97V90-S95 WeakPolarHBondContact CG1-O 3.42Å; V90-S95 PolarHBondContact O-N 2.89Å; S93-S95 PolarHBondContact O-N 2.87Å; S93-S95 WeakPolarHBondContact OG-CB 2.92Å; S93-S95 PolarHBondContact OG-OG 2.74Å; S93-S95 VanDerWaalsContact OG-OG 3.05Å; S95-W97 PolarHBondContact OG-O 2.03Å
96M90.2Very high89.2Confident57 Ų5770.1 Ų70.128%0.28135%0.348SS..SBendtrans-98-13.7168-62.8-175.164.900112L102 M103 V104 P234M96-L102 HydrophobicContact CB-CD1 4.06Å; M96-L102 HydrophobicContact CE-CD1 4.09Å; M96-L102 WeakPolarHBondContact O-CD1 2.96Å; M96-M103 PolarHBondContact O-N 2.83Å; M96-V104 HydrophobicContact CB-CG2 3.7Å; M96-V104 HydrophobicContact CE-CG2 3.76Å; M96-V104 HydrophobicContact CG-CG2 3.93Å; M96-P234 HydrophobicContact CG-CG 3.76Å; M96-P234 HydrophobicContact SD-CG 4.12Å
97W88.5Confident89.1Confident150 Ų15068.6 Ų68.657%0.56834%0.343SS*.EExtended strand (participates in β ladder)trans-126.9147-166-28.691.1000110.4S95 N101 L102S95-W97 PolarHBondContact OG-O 2.03Å; W97-N101 VanDerWaalsContact CA-O 3.26Å; W97-N101 WeakPolarHBondContact CA-O 3.34Å; W97-L102 HydrophobicContact CD2-CD1 4.47Å; W97-L102 HydrophobicContact CE3-CB 3.99Å; W97-L102 HydrophobicContact CE3-CD1 3.87Å; W97-L102 HydrophobicContact CH2-CD1 4.2Å; W97-L102 HydrophobicContact CZ3-CB 3.99Å; W97-L102 HydrophobicContact CZ3-CD1 3.72Å; W97-L102 HydrophobicContact CZ3-CG 4.41Å
98L81.4Confident89Confident40 Ų4066.9 Ų66.921%0.20934%0.336CS..EExtended strand (participates in β ladder)trans-136124.4165.4-167.569.1000107.6E87 K89 V90 D100 N101 M103E87-L98 HydrophobicContact CG-CD2 4.43Å; K89-L98 HydrophobicContact CB-CD1 3.97Å; K89-L98 HydrophobicContact CD-CD1 4.16Å; V90-L98 HydrophobicContact CG2-CB 3.81Å; V90-L98 HydrophobicContact CG2-CD1 4.45Å; V90-L98 HydrophobicContact CG2-CD2 4.47Å; V90-L98 HydrophobicContact CG2-CG 4.48Å; L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 2.98Å; L98-N101 PolarHBondContact N-O 2.81Å; L98-N101 PolarHBondContact O-N 3.05Å; L98-M103 HydrophobicContact CB-CB 4.47Å; L98-M103 HydrophobicContact CB-CG 3.67Å
99N81.4Confident89Confident137 Ų13768.5 Ų68.573%0.73334%0.343SS*.THydrogen-bonded Turntrans49.951.3-178.2-54.5-23.6000112.3N101N99-N101 PolarHBondContact O-N 3.38Å
100D81.1Confident88.9Confident157 Ų15762 Ų6284%0.8432%0.315SS*.THydrogen-bonded Turntrans60.83.1-178-57.1-38000116.7L98L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 2.98Å
101N86.6Confident88.6Confident97 Ų9763.7 Ų63.752%0.51933%0.326SS..EExtended strand (participates in β ladder)trans-98.4133.7175.7-64.4-37.9000110.5W97 L98 N99 M103W97-N101 VanDerWaalsContact CA-O 3.26Å; W97-N101 WeakPolarHBondContact CA-O 3.34Å; L98-N101 PolarHBondContact N-O 2.81Å; L98-N101 PolarHBondContact O-N 3.05Å; N99-N101 PolarHBondContact O-N 3.38Å; N101-M103 HydrophobicContact CB-CE 3.31Å; N101-M103 PolarHBondContact O-N 3.44Å
102L85.9Confident87.8Confident96 Ų9665.2 Ų65.250%0.50334%0.335SS..EExtended strand (participates in β ladder)trans-65.8115.3171.2-177.672.9000108.8M96 W97 V104M96-L102 HydrophobicContact CB-CD1 4.06Å; M96-L102 HydrophobicContact CE-CD1 4.09Å; M96-L102 WeakPolarHBondContact O-CD1 2.96Å; W97-L102 HydrophobicContact CD2-CD1 4.47Å; W97-L102 HydrophobicContact CE3-CB 3.99Å; W97-L102 HydrophobicContact CE3-CD1 3.87Å; W97-L102 HydrophobicContact CH2-CD1 4.2Å; W97-L102 HydrophobicContact CZ3-CB 3.99Å; W97-L102 HydrophobicContact CZ3-CD1 3.72Å; W97-L102 HydrophobicContact CZ3-CG 4.41Å; L102-V104 HydrophobicContact CD1-CG2 3.77Å; L102-V104 HydrophobicContact CG-CG2 4.47Å
103M88.1Confident86.7Confident60 Ų6065.6 Ų65.630%0.29633%0.334SS..  trans-109.63.2-175.7-74.2-64.6142.100113.2T85 E87 V90 M96 L98 N101T85-M103 WeakPolarHBondContact CB-O 3.41Å; T85-M103 PolarHBondContact OG1-O 3.47Å; E87-M103 HydrophobicContact CG-CB 4.29Å; E87-M103 HydrophobicContact CG-CG 4.24Å; E87-M103 HydrophobicContact CG-SD 4.04Å; V90-M103 HydrophobicContact CG1-CB 4.5Å; V90-M103 HydrophobicContact CG2-CB 3.77Å; V90-M103 HydrophobicContact CG2-CG 4.33Å; M96-M103 PolarHBondContact O-N 2.83Å; L98-M103 HydrophobicContact CB-CB 4.47Å; L98-M103 HydrophobicContact CB-CG 3.67Å; N101-M103 HydrophobicContact CB-CE 3.31Å; N101-M103 PolarHBondContact O-N 3.44Å
104V91Very high85.1Confident5 Ų566.4 Ų66.43%0.0334%0.34CS..  trans-112.6136.7179.7-60.30000110.6L83 V90 M96 L102 L231L83-V104 HydrophobicContact CB-CB 4.49Å; L83-V104 HydrophobicContact CD1-CG2 4.41Å; V90-V104 HydrophobicContact CG1-CG1 3.47Å; V90-V104 VanDerWaalsContact CG1-CG1 3.47Å; M96-V104 HydrophobicContact CB-CG2 3.7Å; M96-V104 HydrophobicContact CE-CG2 3.76Å; M96-V104 HydrophobicContact CG-CG2 3.93Å; L102-V104 HydrophobicContact CD1-CG2 3.77Å; L102-V104 HydrophobicContact CG-CG2 4.47Å; V104-L231 HydrophobicContact CG1-CD2 4.31Å
105N92Very high83.2Confident80 Ų8070 Ų7043%0.42836%0.359SS..EExtended strand (participates in β ladder)trans-107.1144.9175.2-68.1-56.5000109.9L83 W84L83-N105 CarbonylContact C-O 3.55Å; L83-N105 VanDerWaalsContact CA-O 3.25Å; L83-N105 WeakPolarHBondContact CA-O 3.37Å; W84-N105 HydrophobicContact CD2-CB 3.96Å; W84-N105 VanDerWaalsContact CE2-CB 3.43Å; W84-N105 HydrophobicContact CG-CB 4.23Å; W84-N105 WeakPolarHBondContact CH2-ND2 3.46Å; W84-N105 HydrophobicContact CZ2-CB 3.78Å; W84-N105 WeakPolarHBondContact CZ2-ND2 3.38Å; W84-N105 PolarHBondContact N-O 3.27Å; W84-N105 PolarHBondContact O-N 2.96Å
106L91.1Very high81.2Confident56 Ų5673.8 Ų73.829%0.29337%0.369SS..EExtended strand (participates in β ladder)trans-81.2123.9173.2178.569000109.8Y81 L83 L108 I191Y81-L106 HydrophobicContact CD1-CD1 3.83Å; Y81-L106 HydrophobicContact CG-CD1 4.3Å; L83-L106 HydrophobicContact CD2-CB 4.29Å; L83-L106 HydrophobicContact CD2-CD1 3.76Å; L106-L108 WeakPolarHBondContact CD1-O 3.25Å; L106-I191 HydrophobicContact CD2-CD1 3.9Å; L106-I191 HydrophobicContact CD2-CG2 3.7Å
107L89.8Confident79.1Confident19 Ų1979.3 Ų79.310%0.09939%0.392CS..EExtended strand (participates in β ladder)trans-87.1-53.7168-167.870000111F73 I82 F206 F230F73-L107 HydrophobicContact CD2-CD2 4.19Å; F73-L107 HydrophobicContact CE2-CD2 3.99Å; I82-L107 HydrophobicContact CB-CB 4.28Å; I82-L107 HydrophobicContact CG2-CB 4.13Å; I82-L107 HydrophobicContact CG2-CD2 3.8Å; I82-L107 VanDerWaalsContact O-CB 3.31Å; I82-L107 WeakPolarHBondContact O-CB 3.33Å; I82-L107 PolarHBondContact O-N 3.3Å; L107-F206 HydrophobicContact CD1-CE1 3.61Å; L107-F206 HydrophobicContact CD1-CZ 3.72Å; L107-F206 HydrophobicContact CD2-CD1 3.84Å; L107-F206 HydrophobicContact CD2-CE1 3.57Å; L107-F206 HydrophobicContact CD2-CZ 4.42Å; L107-F206 HydrophobicContact CG-CD1 4.08Å; L107-F206 HydrophobicContact CG-CE1 3.53Å; L107-F206 HydrophobicContact CG-CZ 3.89Å; L107-F230 HydrophobicContact CD2-CD1 4.38Å; L107-F230 HydrophobicContact CD2-CE1 3.94Å
108L88.7Confident77.2Confident38 Ų3877.2 Ų77.220%0.19939%0.391CS..EExtended strand (participates in β ladder)trans-152.9141.1-172.7-174.374.2000111I82 L106 F206I82-L108 HydrophobicContact CB-CB 4.28Å; I82-L108 HydrophobicContact CD1-CB 4.15Å; I82-L108 HydrophobicContact CD1-CD2 3.92Å; I82-L108 HydrophobicContact CG1-CB 4.35Å; I82-L108 PolarHBondContact N-O 3.5Å; I82-L108 PolarHBondContact O-N 3.07Å; L106-L108 WeakPolarHBondContact CD1-O 3.25Å; L108-F206 HydrophobicContact CD1-CB 4.38Å; L108-F206 HydrophobicContact CD1-CD2 4.24Å; L108-F206 HydrophobicContact CD2-CB 3.63Å; L108-F206 HydrophobicContact CD2-CG 4.4Å; L108-F206 HydrophobicContact CG-CB 4.44Å
109K89.8Confident75.7Confident94 Ų9481.1 Ų81.141%0.40941%0.408SS..EExtended strand (participates in β ladder)trans-100.1122160.5-178.1-177-167.1165.80109.1Y81Y81-K109 HydrophobicContact CD1-CB 3.76Å; Y81-K109 HydrophobicContact CD1-CD 4.31Å; Y81-K109 HydrophobicContact CD1-CG 3.7Å; Y81-K109 HydrophobicContact CE1-CB 3.77Å; Y81-K109 HydrophobicContact CE1-CD 3.49Å; Y81-K109 VanDerWaalsContact CE1-CD 3.49Å; Y81-K109 HydrophobicContact CE1-CG 3.37Å; Y81-K109 PolarHBondContact OH-NZ 3.27Å
110C89Confident73.7Confident0 Ų081.4 Ų81.40%041%0.407CS..PPolyproline II helixtrans-60.1134.9173.7-67.80000110.6C75 Q77 S79 I80C75-C110 HydrophobicContact CB-CB 3.55Å; C75-C110 WeakPolarHBondContact CB-SG 3.31Å; C75-C110 WeakPolarHBondContact SG-CA 3.45Å; C75-C110 WeakPolarHBondContact SG-CB 3.17Å; C75-C110 CovalentContact SG-SG 2.03Å; C75-C110 PolarHBondContact SG-SG 2.85Å; Q77-C110 WeakPolarHBondContact O-CB 3.32Å; S79-C110 PolarHBondContact N-O 2.91Å; I80-C110 WeakPolarHBondContact O-CB 3.5Å; I80-C110 PolarHBondContact O-N 2.67Å; I80-C110 PolarHBondContact O-SG 3.48Å; I80-C110 VanDerWaalsContact O-SG 3.39Å
111P83.9Confident71.6Confident36 Ų3683.1 Ų83.123%0.23440%0.402CS..PPolyproline II helixtrans-67139.3-175.331.2-39.8000111.6P203P111-P203 VanDerWaalsContact CG-O 3.25Å; P111-P203 WeakPolarHBondContact CG-O 3.49Å
112D76.1Confident69.5Low42 Ų4287.7 Ų87.723%0.22541%0.412CS..PPolyproline II helixtrans-71.8139.4169.7-55.3-19.9000109.4S79 S114 N115S79-D112 WeakPolarHBondContact CA-OD1 3.33Å; S79-D112 WeakPolarHBondContact CB-OD1 3.4Å; S79-D112 PolarHBondContact N-OD1 3.36Å; S79-D112 PolarHBondContact OG-OD1 3.39Å; D112-S114 PolarHBondContact O-N 3.29Å; D112-N115 PolarHBondContact O-N 2.81Å
113K66Low67.4Low125 Ų12590.1 Ų90.154%0.54342%0.421SS..Hα-helixtrans-58.9-23.9-178.6-82.6179.8-158129.90112.3E78 N115 R116E78-K113 VanDerWaalsContact CD-CB 3.48Å; E78-K113 HydrophobicContact CG-CB 4.32Å; E78-K113 HydrophobicContact CG-CD 4.36Å; E78-K113 HydrophobicContact CG-CG 3.79Å; E78-K113 WeakPolarHBondContact OE1-CD 3.46Å; E78-K113 WeakPolarHBondContact OE1-CE 3.29Å; E78-K113 WeakPolarHBondContact OE1-CG 3.24Å; E78-K113 IonicContact OE1-NZ 2.67Å; E78-K113 PolarHBondContact OE1-NZ 3.05Å; E78-K113 VanDerWaalsContact OE2-CB 3.25Å; E78-K113 WeakPolarHBondContact OE2-CB 3.33Å; E78-K113 PolarHBondContact OE2-N 3.41Å; K113-N115 VanDerWaalsContact C-N 3.27Å; K113-N115 PolarHBondContact O-N 3.03Å; K113-R116 PolarHBondContact O-N 3.07Å
114S60.4Low65Low75 Ų7591.8 Ų91.852%0.52444%0.438SS..Hα-helixtrans-60.5-34.8174.959.60000112.7D112 R116 K117D112-S114 PolarHBondContact O-N 3.29Å; S114-R116 VanDerWaalsContact C-N 3.35Å; S114-R116 PolarHBondContact O-N 3.44Å; S114-K117 PolarHBondContact O-N 3.49Å
115N52.5Low62.6Low79 Ų7995.6 Ų95.642%0.42246%0.461SS..Hα-helixtrans-74.6-23.2-179.8-72.8-33.9000113.2D112 K113 K117 L118 Q119D112-N115 PolarHBondContact O-N 2.81Å; K113-N115 VanDerWaalsContact C-N 3.27Å; K113-N115 PolarHBondContact O-N 3.03Å; N115-K117 VanDerWaalsContact C-N 3.34Å; N115-K117 PolarHBondContact O-N 2.95Å; N115-L118 PolarHBondContact O-N 2.68Å; N115-Q119 PolarHBondContact O-N 2.97Å
116R51.5Low59.9Low107 Ų10796.7 Ų96.740%0.40447%0.471SS..Hα-helixtrans-66.1-34.5175-76.4-176.4175.1170.6-2.5112.3K113 S114 M120 S204K113-R116 PolarHBondContact O-N 3.07Å; S114-R116 VanDerWaalsContact C-N 3.35Å; S114-R116 PolarHBondContact O-N 3.44Å; R116-M120 WeakPolarHBondContact O-CG 3.41Å; R116-M120 PolarHBondContact O-N 2.87Å; R116-S204 VanDerWaalsContact NH2-CB 3.26Å; R116-S204 PolarHBondContact NH2-OG 3.05Å; R116-S204 VanDerWaalsContact NH2-OG 3.12Å
117K45.7Very low57.2Low173 Ų173101.5 Ų101.575%0.75250%0.497SS*.Hα-helixtrans-70.5-33.2176.8-76-173.7177.6-179.60112.6S114 N115 R121S114-K117 PolarHBondContact O-N 3.49Å; N115-K117 VanDerWaalsContact C-N 3.34Å; N115-K117 PolarHBondContact O-N 2.95Å; K117-R121 WeakPolarHBondContact O-CB 3.42Å; K117-R121 PolarHBondContact O-N 2.77Å
118L48.3Very low54.6Low106 Ų106107.6 Ų107.656%0.55553%0.528SS*.Hα-helixtrans-76.9-33.3-179.6-80.4158.6000113.2N115 R122N115-L118 PolarHBondContact O-N 2.68Å; L118-R122 PolarHBondContact O-N 2.93Å
119Q50.2Low51.9Low122 Ų122110.8 Ų110.857%0.5755%0.551SS**Hα-helixtrans-78.5-37.7178.4-75.1-176.4-1.100113.3N115 R121 R122 Q123N115-Q119 PolarHBondContact O-N 2.97Å; Q119-R121 VanDerWaalsContact C-N 3.35Å; Q119-R121 PolarHBondContact O-N 2.81Å; Q119-R122 PolarHBondContact O-N 2.92Å; Q119-Q123 PolarHBondContact O-N 2.82Å
120M39.2Very low49.2Very low143 Ų143116.1 Ų116.170%0.70457%0.574SS**Hα-helixtrans-63.4-39.8173.4-73.4-95.2-154.400111.9R116 R122 Q123 S124R116-M120 WeakPolarHBondContact O-CG 3.41Å; R116-M120 PolarHBondContact O-N 2.87Å; M120-R122 VanDerWaalsContact C-N 3.35Å; M120-R122 PolarHBondContact O-N 3.36Å; M120-Q123 PolarHBondContact O-N 3.48Å; M120-S124 PolarHBondContact O-N 3.2Å; M120-S124 VanDerWaalsContact O-N 3.15Å
121R38.2Very low46.5Very low192 Ų192123 Ų12373%0.72561%0.611SS**Hα-helixtrans-71.2-27.9-179.8-154.2175-167.4168.23113K117 Q119 T125K117-R121 WeakPolarHBondContact O-CB 3.42Å; K117-R121 PolarHBondContact O-N 2.77Å; Q119-R121 VanDerWaalsContact C-N 3.35Å; Q119-R121 PolarHBondContact O-N 2.81Å; R121-T125 WeakPolarHBondContact O-CG2 2.98Å; R121-T125 PolarHBondContact O-OG1 3.23Å
122R41.5Very low44Very low194 Ų194130.3 Ų130.373%0.73264%0.639SS**Hα-helixtrans-75.1-26173.9-80.5-177.3176.2172.1-0.3113.5L118 Q119 M120L118-R122 PolarHBondContact O-N 2.93Å; Q119-R122 PolarHBondContact O-N 2.92Å; M120-R122 VanDerWaalsContact C-N 3.35Å; M120-R122 PolarHBondContact O-N 3.36Å
123Q42.5Very low42.1Very low147 Ų147136.6 Ų136.669%0.68767%0.672SS**Hα-helixtrans-86.7-20.6176.4-72.3177.4-6.800113Q119 M120Q119-Q123 PolarHBondContact O-N 2.82Å; M120-Q123 PolarHBondContact O-N 3.48Å
124S38.7Very low40.4Very low94 Ų94137.6 Ų137.666%0.65768%0.683SS**SBendtrans-91.5-3.6176.999.70000114.8M120M120-S124 PolarHBondContact O-N 3.2Å; M120-S124 VanDerWaalsContact O-N 3.15Å
125T38.7Very low39Very low86 Ų86140.7 Ų140.753%0.52869%0.693SS.*SBendtrans-105.24.6-177.749.50000114.7R121R121-T125 WeakPolarHBondContact O-CG2 2.98Å; R121-T125 PolarHBondContact O-OG1 3.23Å
126T35.6Very low38Very low102 Ų102145.6 Ų145.663%0.62671%0.711SS**SBendtrans-102.662.7174.952.40000110.1
127N34.4Very low37Very low158 Ų158147.2 Ų147.285%0.84573%0.733SS**  trans-16431.8171.1-89.3-22.8000112.4
128I36.2Very low36.3Very low146 Ų146144.6 Ų144.675%0.74973%0.734SS**  trans-103.6118.4171.6-59178.3000108K130I128-K130 PolarHBondContact O-N 3.35Å
129P31.8Very low35.3Very low105 Ų105148 Ų14868%0.68275%0.746SS**  trans-62.1135.8177.7-7.219.1000109.9D131P129-D131 VanDerWaalsContact C-N 3.31Å; P129-D131 PolarHBondContact O-N 3.12Å
130K32.2Very low34.2Very low206 Ų206149.1 Ų149.190%0.89676%0.756SS**  trans-65.489.4168.1-70173.6176.81750108.4I128I128-K130 PolarHBondContact O-N 3.35Å
131D32.1Very low33.8Very low144 Ų144149.7 Ų149.777%0.7776%0.762SS**  trans-154.1127.7164.1-93.1-37.1000111.5P129P129-D131 VanDerWaalsContact C-N 3.31Å; P129-D131 PolarHBondContact O-N 3.12Å
132K33.3Very low33.5Very low190 Ų190145.7 Ų145.783%0.82676%0.758SS**  trans58.998.6165-71.3174.4173.8173.40117.4
133L35.1Very low32.8Very low174 Ų174143.3 Ų143.391%0.91176%0.758SS**  -163.2103.7110.1-123.693.1000110.3
134N30.4Very low32.4Very low147 Ų147145.2 Ų145.279%0.78676%0.764SS**  trans-76.4133.2160.3-65.1-45.6000108.3
135L30.8Very low31.9Very low140 Ų140147.4 Ų147.473%0.73377%0.769SS**  160.9124.5120.6-111.874.4000111.6
136K32.1Very low31.6Very low182 Ų182154.6 Ų154.679%0.79179%0.788SS**  trans67.396.6144.4-65.3178.6-178.6-178.50119.1
137T30.7Very low31.2Very low140 Ų140154.3 Ų154.386%0.85979%0.79SS**  trans-60.3147.3135.820.30000110.3
138P30.1Very low31.1Very low119 Ų119151.9 Ų151.977%0.77379%0.786SS**  -140.6156.9107.134.5-19.3000114.4
139Q27.8Very low30.9Very low176 Ų176153.5 Ų153.582%0.82280%0.795SS**  trans-48.6135.9166.1-62.4153.6-19.700111.7
140N26.9Very low30.9Very low146 Ų146156.4 Ų156.478%0.78180%0.803SS**  trans153.4146.7132.1-83.8-29.5000112.8
141L30.4Very low30.9Very low156 Ų156150.1 Ų150.182%0.81780%0.797SS**  trans116.1100.1148.8-67.1131.4000118.8
142V31.4Very low30.8Very low107 Ų107150.8 Ų150.865%0.64880%0.8SS**  88.994.1117.11780000118.6
143I27.9Very low30.8Very low144 Ų144147.7 Ų147.774%0.73880%0.802SS**  5115.9121-55.5166.9000114.9
144K33.4Very low30.6Very low187 Ų187144 Ų14481%0.81379%0.791SS**  trans-138.1109.8148.5-88.8-171.5177.7176.60111.2
145N28.2Very low30.6Very low140 Ų140143 Ų14375%0.74979%0.791SS**  trans-58.8132.8165.7-78.9-27.8000110.7
146Y33.3Very low30.7Very low237 Ų237143.6 Ų143.693%0.92980%0.8SS**  trans-103.793.7158.9-88.2-89.5000108.1
147S27.8Very low30.7Very low97 Ų97142.9 Ų142.968%0.67880%0.799SS**  trans-133.886.5168.655.70000108.1
148S30.4Very low30.7Very low107 Ų107142.3 Ų142.375%0.74879%0.791SS**  trans175.5102.4153.348.40000110.6
149L33.6Very low30.8Very low180 Ų180143.5 Ų143.594%0.94279%0.791SS**  trans-158.781.9146-104.5140000107.7
150I31.2Very low30.9Very low166 Ų166146.5 Ų146.585%0.85180%0.796SS**  trans-64.7129.1157.9-72.8164.1000106.8
151G32.1Very low31.1Very low74 Ų74146.5 Ų146.576%0.76380%0.801SS**  trans-177.186.4177.600000111.2
152N29.2Very low31Very low158 Ų158148.7 Ų148.785%0.84580%0.804SS**  trans-39.5136.6179-64.7-28.8000115.7
153S34Very low31.1Very low124 Ų124152.3 Ų152.387%0.86782%0.819SS**  -166.6140.1121.947.70000110.4
154S30.9Very low31.2Very low98 Ų98155.3 Ų155.369%0.68583%0.827SS**  trans-79.7172.5-165.149.40000113.9
155T30Very low31.1Very low126 Ų126155.9 Ų155.977%0.77383%0.829SS**  trans69.299.4150.442.20000117.3
156V33.1Very low31.3Very low151 Ų151160.5 Ų160.592%0.91584%0.838SS**  -161.4122.21091730000108.5
157Q32Very low31.2Very low167 Ų167154.7 Ų154.778%0.7883%0.832SS**  trans-98.7156.3-174.2-152.9168.5-10.700109.4
158N31.8Very low31.5Very low129 Ų129158.8 Ų158.869%0.6984%0.84SS**  trans92.3104.1163.7-55.4-24.5000117.9
159N30.7Very low31.5Very low144 Ų144162.1 Ų162.177%0.7785%0.849SS**  161.760.4116.6-79.2-25.6000113.5
160Y31.6Very low31.5Very low238 Ų238159.2 Ų159.293%0.93384%0.843SS**SBendtrans-146.551.1164-77.7-77.5000111.9
161V29.3Very low31.6Very low146 Ų146159.4 Ų159.489%0.88584%0.844SS**  trans-142.871.7170.7-1720000109.7
162K29.7Very low31.7Very low203 Ų203165.3 Ų165.388%0.88385%0.849SS**  trans-167.164.1166.3-130.9177.5-175.1179.80113.9
163L32.4Very low31.9Very low183 Ų183168.8 Ų168.896%0.95885%0.85SS**SBendtrans-170.464.5158.7-103.2138.4000109.5
164K30.7Very low31.9Very low207 Ų207172.6 Ų172.690%0.985%0.852SS**  trans-143.737.4176.3-137.6-178.6-172-175.80112.4
165K32.1Very low32Very low198 Ų198175.4 Ų175.486%0.86186%0.859SS**  trans-14331.5-171.6-129.3-179-174.8-175.90116.3
166Y31.8Very low32.2Very low238 Ų238178.1 Ų178.193%0.93386%0.86SS**SBendtrans-138.768.2167.6-85.9-81.3000109.9
167S30.6Very low32Very low115 Ų115181.5 Ų181.580%0.80486%0.856SS**  trans-161.344.5167.469.50000111.5
168E33.4Very low32.1Very low182 Ų182178.4 Ų178.485%0.8585%0.853SS**  trans-147.797.7170.6-77-174.1156.700107
169L32.4Very low32.2Very low178 Ų178177.2 Ų177.293%0.93286%0.855SS**SBendtrans162.879.2157.6-88.5157.1000109.5
170S33.1Very low32.3Very low119 Ų119175.8 Ų175.883%0.83286%0.856SS**  trans179.348.8153.844.40000111.9
171I32.5Very low32.2Very low169 Ų169169 Ų16987%0.86784%0.844SS**  trans-138.994166.1-55179.1000108.6
172K34.4Very low32.2Very low199 Ų199167.1 Ų167.187%0.86584%0.837SS**  trans-153.5126.4157.4-105.5177.5-173.5177.60108.5
173R32.6Very low32.3Very low231 Ų231162.4 Ų162.487%0.87283%0.829SS**  trans91.891.9172.2-55.2174.6-175.3168.81.5114.9
174F34.8Very low32Very low204 Ų204159.5 Ų159.590%0.89582%0.824SS**  -163.6110.494.6-108.9-85.6000109.6
175N33Very low31.8Very low157 Ų157154.2 Ų154.284%0.8481%0.814SS**  trans-82.1129.8173.5-79-29.2000109.7
176K33.9Very low31.8Very low182 Ų182148 Ų14879%0.79180%0.795SS**  170.8127121.2-107.6173.7172.4170.80111.5
177R29.7Very low31.9Very low222 Ų222145.4 Ų145.484%0.83880%0.796SS**  trans59.9115.8149.3-78.1175.5170.5164-4.7115.6
178S33.8Very low32.1Very low103 Ų103149.2 Ų149.272%0.7280%0.799SS**  cis-162.7135.941.5-58.20000111.1
179S32.8Very low32Very low104 Ų104143.9 Ų143.973%0.72778%0.781SS**  trans53.4117141.549.50000121.5
180S32.7Very low32Very low113 Ų113144.6 Ų144.679%0.7978%0.777SS**  trans65.2132.8147.856.10000117.2
181S30.7Very low32Very low97 Ų97145.1 Ų145.168%0.67877%0.769SS**  cis-177119.43.3400000105.3
182S28Very low31.9Very low105 Ų105140.7 Ų140.773%0.73475%0.753SS**  trans40.4110.4132.662.30000118.2
183S31.7Very low31.9Very low104 Ų104139.5 Ų139.573%0.72775%0.75SS**  161.5124.2114.150.40000111S185S183-S185 PolarHBondContact O-N 3.32Å
184S27.2Very low31.9Very low122 Ų122132.3 Ų132.385%0.85374%0.735SS**  trans-42.3113.4153.149.20000111.3
185S27.5Very low31.9Very low97 Ų97126.3 Ų126.368%0.67872%0.717SS**  trans174.5140.4144.850.50000111.5S183S183-S185 PolarHBondContact O-N 3.32Å
186S31.2Very low32.1Very low66 Ų66127 Ų12746%0.46272%0.719SS.*  trans84.3102.8149.891.70000118.6K188S186-K188 PolarHBondContact O-N 3.26Å
187L34Very low32.5Very low185 Ų185122 Ų12297%0.96970%0.701SS**THydrogen-bonded Turntrans-62.121.9147-87.9152.5000112.5
188K34Very low32.9Very low195 Ų195117.5 Ų117.585%0.84869%0.693SS**THydrogen-bonded Turntrans-100.5-1.5-173.6-69.9-176.2168.9176.80114.4S186S186-K188 PolarHBondContact O-N 3.26Å
189S30.9Very low33.4Very low69 Ų69122.3 Ų122.348%0.48370%0.696SS.*SBendtrans-118.82.4-170.366.20000117.2
190F33.2Very low33.8Very low193 Ų193126.2 Ų126.285%0.84670%0.7SS**SBendtrans-105.311.8-177.2-77.6-79.5000115.4
191I34.1Very low34.4Very low130 Ų130128.9 Ų128.967%0.66770%0.697SS**  trans-117.564.1174.1-49.4178000107.6L106L106-I191 HydrophobicContact CD2-CD1 3.9Å; L106-I191 HydrophobicContact CD2-CG2 3.7Å
192S29.6Very low35.3Very low76 Ų76129.1 Ų129.153%0.53169%0.687SS.*  trans-107.9124.2178.255.80000109.3
193H34Very low36.8Very low175 Ų175127.4 Ų127.481%0.8167%0.673SS**  trans92.465.1165.1-40.3-61.9000118.2
194S33.8Very low38.9Very low79 Ų79123.5 Ų123.555%0.55265%0.646SS**  trans-96.1112.1143-770000109
195P34.9Very low41.5Very low78 Ų78121.5 Ų121.551%0.50662%0.623SS.*  trans-81.5130.7-178.731.6-29.6000111.6
196L36.8Very low44.2Very low171 Ų171117.8 Ų117.890%0.89560%0.595SS**  trans48.368.9143.3-57.2169.8000118.6
197I41.8Very low46.8Very low78 Ų78117.3 Ų117.340%0.459%0.589SS.*  trans-92.9141.2149.2-64.6167.4000107.2R199 F206I197-R199 VanDerWaalsContact C-N 3.31Å; I197-R199 WeakPolarHBondContact O-CG 3.03Å; I197-R199 PolarHBondContact O-N 3.17Å; I197-F206 HydrophobicContact CD1-CD2 4.46Å; I197-F206 HydrophobicContact CD1-CE2 3.59Å; I197-F206 HydrophobicContact CD1-CZ 4.12Å
198D37.3Very low49.4Very low127 Ų127108.5 Ų108.568%0.67954%0.543SS*.  trans-57.184.3-175.6-170.17.1000112.7K200D198-K200 PolarHBondContact O-N 2.98Å; D198-K200 VanDerWaalsContact O-N 3.09Å; D198-K200 PolarHBondContact OD1-N 3.4Å
199R45.3Very low51.9Low204 Ų204102.4 Ų102.477%0.7752%0.52SS*.THydrogen-bonded Turntrans-69.41.2-178.4-77.3177.6-177.6161.82.9113.4I197I197-R199 VanDerWaalsContact C-N 3.31Å; I197-R199 WeakPolarHBondContact O-CG 3.03Å; I197-R199 PolarHBondContact O-N 3.17Å
200K40.8Very low54.6Low187 Ų18799.1 Ų99.181%0.81350%0.497SS*.THydrogen-bonded Turntrans-80.6-17.9-168.8-81.7-176.7174.2177.60115.2D198D198-K200 PolarHBondContact O-N 2.98Å; D198-K200 VanDerWaalsContact O-N 3.09Å; D198-K200 PolarHBondContact OD1-N 3.4Å
201K45.2Very low57Low168 Ų16894.3 Ų94.373%0.7348%0.477SS*.SBendtrans-93.9-39.6-169.2-129.3169.1-176.2173.40115.6
202H50.3Low58.5Low102 Ų10293.1 Ų93.147%0.47247%0.468SS..  trans-152.6112.6173.1-62.4-78.3000109.7S204 Q205H202-S204 PolarHBondContact O-N 2.83Å; H202-Q205 HydrophobicContact CB-CB 4.4Å; H202-Q205 HydrophobicContact CB-CG 3.82Å; H202-Q205 PolarHBondContact CD2-NE2 2.75Å; H202-Q205 PolarHBondContact CD2-OE1 2.77Å; H202-Q205 PolarHBondContact O-N 2.86Å
203P60Low60.3Low69 Ų6996 Ų9645%0.44847%0.472SS..THydrogen-bonded Turntrans-64.9-8.8-173.924.8-33.7000114P111P111-P203 VanDerWaalsContact CG-O 3.25Å; P111-P203 WeakPolarHBondContact CG-O 3.49Å
204S74.2Confident61.8Low22 Ų2288.3 Ų88.315%0.15444%0.438CS..THydrogen-bonded Turntrans-108.512.1-177.948.90000114.4V74 C75 R116 H202V74-S204 CarbonylContact C-O 3.58Å; V74-S204 WeakPolarHBondContact CA-O 3.25Å; C75-S204 PolarHBondContact N-O 2.79Å; R116-S204 VanDerWaalsContact NH2-CB 3.26Å; R116-S204 PolarHBondContact NH2-OG 3.05Å; R116-S204 VanDerWaalsContact NH2-OG 3.12Å; H202-S204 PolarHBondContact O-N 2.83Å
205Q82.3Confident62.9Low80 Ų8092.8 Ų92.837%0.37444%0.443SS..EExtended strand (participates in β ladder)trans-125.7147.3177.283.6-170.713.200112.4I72 F73 H202I72-Q205 HydrophobicContact CG2-CB 4.47Å; F73-Q205 CarbonylContact O-C 3.53Å; F73-Q205 VanDerWaalsContact O-CA 3.23Å; F73-Q205 WeakPolarHBondContact O-CA 3.14Å; H202-Q205 HydrophobicContact CB-CB 4.4Å; H202-Q205 HydrophobicContact CB-CG 3.82Å; H202-Q205 PolarHBondContact CD2-NE2 2.75Å; H202-Q205 PolarHBondContact CD2-OE1 2.77Å; H202-Q205 PolarHBondContact O-N 2.86Å
206F84.1Confident63.9Low19 Ų1993.4 Ų93.48%0.08346%0.455CS..EExtended strand (participates in β ladder)trans-136.6126.2173.7177.2-91.4000109.4I72 F73 L107 L108 I197 L208I72-F206 CarbonylContact C-O 3.56Å; I72-F206 WeakPolarHBondContact CA-O 3.11Å; F73-F206 HydrophobicContact CD2-CD1 4.27Å; F73-F206 PolarHBondContact N-O 2.89Å; F73-F206 PolarHBondContact O-N 2.84Å; L107-F206 HydrophobicContact CD1-CE1 3.61Å; L107-F206 HydrophobicContact CD1-CZ 3.72Å; L107-F206 HydrophobicContact CD2-CD1 3.84Å; L107-F206 HydrophobicContact CD2-CE1 3.57Å; L107-F206 HydrophobicContact CD2-CZ 4.42Å; L107-F206 HydrophobicContact CG-CD1 4.08Å; L107-F206 HydrophobicContact CG-CE1 3.53Å; L107-F206 HydrophobicContact CG-CZ 3.89Å; L108-F206 HydrophobicContact CD1-CB 4.38Å; L108-F206 HydrophobicContact CD1-CD2 4.24Å; L108-F206 HydrophobicContact CD2-CB 3.63Å; L108-F206 HydrophobicContact CD2-CG 4.4Å; L108-F206 HydrophobicContact CG-CB 4.44Å; I197-F206 HydrophobicContact CD1-CD2 4.46Å; I197-F206 HydrophobicContact CD1-CE2 3.59Å; I197-F206 HydrophobicContact CD1-CZ 4.12Å; F206-L208 HydrophobicContact CE1-CB 4Å; F206-L208 HydrophobicContact CE1-CD1 4.41Å
207T86Confident65.4Low56 Ų5689 Ų8934%0.34443%0.432SS..EExtended strand (participates in β ladder)trans-104.5126.1179-56.10000109.4E70 I71 I72E70-T207 HydrophobicContact CB-CG2 4.04Å; E70-T207 HydrophobicContact CG-CG2 4.32Å; I71-T207 CarbonylContact O-C 3.55Å; I71-T207 WeakPolarHBondContact O-CA 3.21Å; I72-T207 HydrophobicContact CG1-CG2 4.07Å
208L88Confident67Low1 Ų187.5 Ų87.51%0.00544%0.436CS..EExtended strand (participates in β ladder)trans-111120.6175.3-179.566.2000108.3I71 F73 F206 N219 P220 F222 F230I71-L208 HydrophobicContact CB-CB 4.28Å; I71-L208 HydrophobicContact CD1-CD2 4.34Å; I71-L208 PolarHBondContact N-O 3.09Å; I71-L208 PolarHBondContact O-N 3.38Å; F73-L208 HydrophobicContact CE2-CD2 4.44Å; F206-L208 HydrophobicContact CE1-CB 4Å; F206-L208 HydrophobicContact CE1-CD1 4.41Å; L208-N219 HydrophobicContact CD1-CB 3.78Å; L208-P220 HydrophobicContact CD1-CG 4.32Å; L208-P220 HydrophobicContact CD2-CG 3.9Å; L208-F222 HydrophobicContact CD2-CE2 3.64Å; L208-F222 HydrophobicContact CD2-CZ 3.56Å; L208-F222 HydrophobicContact CG-CE2 3.99Å; L208-F222 HydrophobicContact CG-CZ 4.36Å; L208-F230 HydrophobicContact CD2-CE1 4.2Å; L208-F230 HydrophobicContact CD2-CZ 3.82Å
209L87.8Confident69.4Low66 Ų6682.7 Ų82.735%0.34641%0.411SS..EExtended strand (participates in β ladder)trans-84.8133.9175.1-170.164.5000109.3K68 E70 E211K68-L209 WeakPolarHBondContact O-CD1 3.17Å; E70-L209 HydrophobicContact CG-CD1 4.05Å; L209-E211 HydrophobicContact CB-CG 4.31Å; L209-E211 HydrophobicContact CD2-CG 3.84Å; L209-E211 WeakPolarHBondContact CD2-OE1 3.29Å; L209-E211 HydrophobicContact CG-CG 3.8Å; L209-E211 PolarHBondContact O-N 3.33Å
210V87Confident71.5Confident1 Ų173 Ų731%0.00637%0.374CS..  trans-7893.9178.7179.30000108.8V65 K66 K68 D69 I71 F222V65-V210 HydrophobicContact CB-CG1 4.35Å; V65-V210 HydrophobicContact CB-CG2 3.95Å; V65-V210 HydrophobicContact CG1-CG2 4.33Å; V65-V210 HydrophobicContact CG2-CB 4.4Å; V65-V210 HydrophobicContact CG2-CG1 3.7Å; V65-V210 HydrophobicContact CG2-CG2 3.79Å; K66-V210 WeakPolarHBondContact O-CG1 3.14Å; K68-V210 PolarHBondContact N-O 2.81Å; D69-V210 HydrophobicContact CB-CB 4.38Å; D69-V210 HydrophobicContact CB-CG2 4.09Å; D69-V210 WeakPolarHBondContact O-CB 3.45Å; D69-V210 WeakPolarHBondContact O-CG2 3.04Å; D69-V210 PolarHBondContact O-N 2.91Å; I71-V210 HydrophobicContact CD1-CG2 3.5Å; I71-V210 HydrophobicContact CG1-CG2 3.95Å; V210-F222 HydrophobicContact CB-CD2 4.45Å; V210-F222 HydrophobicContact CG1-CB 3.8Å; V210-F222 HydrophobicContact CG1-CD2 4.18Å; V210-F222 HydrophobicContact CG1-CG 3.95Å; V210-F222 HydrophobicContact CG2-CD2 4.48Å
211E83.2Confident73.9Confident91 Ų9164.7 Ų64.743%0.42534%0.339SS..  trans-125.7152.5177.7-61.3-171148.800111.3L209 F222L209-E211 HydrophobicContact CB-CG 4.31Å; L209-E211 HydrophobicContact CD2-CG 3.84Å; L209-E211 WeakPolarHBondContact CD2-OE1 3.29Å; L209-E211 HydrophobicContact CG-CG 3.8Å; L209-E211 PolarHBondContact O-N 3.33Å; E211-F222 PolarHBondContact O-N 3.15Å
212E65.9Low76Confident105 Ų10556.7 Ų56.749%0.49130%0.304SS..SBendtrans-75.8-28.2176.5-168.4170.2-173.900112S221E212-S221 WeakPolarHBondContact O-CB 3.35Å
213F67.9Low77.9Confident137 Ų13753.3 Ų53.360%0.60129%0.291SS*.  trans-11340.2-170-57.7-71.7000114.1W215F213-W215 AromaticContact CD1-CH2 3.58Å; F213-W215 HydrophobicContact CD1-CH2 3.58Å; F213-W215 HydrophobicContact CD1-CZ2 4.08Å; F213-W215 AromaticContact CD1-CZ3 3.97Å; F213-W215 HydrophobicContact CD1-CZ3 3.97Å; F213-W215 HydrophobicContact CE1-CH2 4.11Å; F213-W215 PolarHBondContact O-N 3.49Å
214A64.3Low79.2Confident13 Ų1354.2 Ų54.211%0.10730%0.296CS..G310 helixtrans-74.414.6-169.500000116.8A216 N219 P220A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 3.34Å; A214-N219 HydrophobicContact CB-CB 4.26Å; A214-P220 VanDerWaalsContact CB-O 3.29Å; A214-P220 WeakPolarHBondContact CB-O 3.4Å
215W56.8Low79.9Confident173 Ų17357.1 Ų57.166%0.65531%0.309SS*.G310 helixtrans-73.4-19.2-164.1-45.4-44.3000115.2F213 N217 S221F213-W215 AromaticContact CD1-CH2 3.58Å; F213-W215 HydrophobicContact CD1-CH2 3.58Å; F213-W215 HydrophobicContact CD1-CZ2 4.08Å; F213-W215 AromaticContact CD1-CZ3 3.97Å; F213-W215 HydrophobicContact CD1-CZ3 3.97Å; F213-W215 HydrophobicContact CE1-CH2 4.11Å; F213-W215 PolarHBondContact O-N 3.49Å; W215-N217 PolarHBondContact O-N 3.39Å; W215-S221 PolarHBondContact NE1-OG 3.37Å
216A57.7Low80.2Confident92 Ų9258.9 Ų58.976%0.7631%0.313SS*.G310 helixtrans-65.6-22.6-173.600000113.8A214A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 3.34Å
217N66.9Low80.5Confident78 Ų7858.4 Ų58.442%0.41731%0.312SS..G310 helixtrans-119.55.8-168.6-63.5-17.9000114.8W215 N219W215-N217 PolarHBondContact O-N 3.39Å; N217-N219 PolarHBondContact O-N 2.87Å
218G76Confident80.9Confident46 Ų4655.8 Ų55.847%0.47430%0.295SS..THydrogen-bonded Turntrans75.39.6-174.100000114.5W84W84-G218 PolarHBondContact NE1-O 3.47Å
219N86.8Confident81.2Confident27 Ų2756.3 Ų56.314%0.14430%0.297CS..PPolyproline II helixtrans-78.8151.9174.2-72-15.9000110.6L208 A214 N217L208-N219 HydrophobicContact CD1-CB 3.78Å; A214-N219 HydrophobicContact CB-CB 4.26Å; N217-N219 PolarHBondContact O-N 2.87Å
220P90.3Very high81.6Confident0 Ų053.1 Ų53.10%028%0.281CS..PPolyproline II helixtrans-66.5141.6171.927.8-33.7000110.9W84 L208 A214 F222 V228 F230W84-P220 HydrophobicContact CD2-CB 3.8Å; W84-P220 HydrophobicContact CD2-CG 4.16Å; W84-P220 HydrophobicContact CE3-CB 3.71Å; W84-P220 HydrophobicContact CG-CB 4.41Å; W84-P220 HydrophobicContact CG-CG 4.3Å; W84-P220 HydrophobicContact CH2-CB 4.2Å; W84-P220 HydrophobicContact CZ2-CB 4.27Å; W84-P220 HydrophobicContact CZ3-CB 3.94Å; L208-P220 HydrophobicContact CD1-CG 4.32Å; L208-P220 HydrophobicContact CD2-CG 3.9Å; A214-P220 VanDerWaalsContact CB-O 3.29Å; A214-P220 WeakPolarHBondContact CB-O 3.4Å; P220-F222 HydrophobicContact CG-CE2 4.2Å; P220-F222 HydrophobicContact CG-CZ 4.28Å; P220-V228 HydrophobicContact CB-CG1 3.62Å; P220-V228 HydrophobicContact CB-CG2 4.34Å; P220-V228 HydrophobicContact CG-CG1 4.06Å; P220-F230 HydrophobicContact CG-CE1 4.3Å; P220-F230 HydrophobicContact CG-CZ 3.95Å
221S90.5Very high82Confident12 Ų1253.1 Ų53.18%0.08428%0.28CS..PPolyproline II helixtrans-84150.7164480000110.2Y86 E212 W215 P223 V228Y86-S221 PolarHBondContact OH-N 3.14Å; Y86-S221 PolarHBondContact OH-O 3.42Å; Y86-S221 VanDerWaalsContact OH-O 3.07Å; Y86-S221 PolarHBondContact OH-OG 3.46Å; E212-S221 WeakPolarHBondContact O-CB 3.35Å; W215-S221 PolarHBondContact NE1-OG 3.37Å; S221-P223 WeakPolarHBondContact O-CD 3.37Å; S221-V228 WeakPolarHBondContact O-CG2 3.32Å
222F90.6Very high82.5Confident0 Ų048.8 Ų48.80%026%0.26CS..  trans-11372.8178.8-68.4-90.9000112.1I71 L208 V210 E211 P220 V228 F230 I246 N248I71-F222 HydrophobicContact CD1-CE1 4.22Å; I71-F222 HydrophobicContact CD1-CE2 4.42Å; I71-F222 HydrophobicContact CD1-CZ 3.8Å; L208-F222 HydrophobicContact CD2-CE2 3.64Å; L208-F222 HydrophobicContact CD2-CZ 3.56Å; L208-F222 HydrophobicContact CG-CE2 3.99Å; L208-F222 HydrophobicContact CG-CZ 4.36Å; V210-F222 HydrophobicContact CB-CD2 4.45Å; V210-F222 HydrophobicContact CG1-CB 3.8Å; V210-F222 HydrophobicContact CG1-CD2 4.18Å; V210-F222 HydrophobicContact CG1-CG 3.95Å; V210-F222 HydrophobicContact CG2-CD2 4.48Å; E211-F222 PolarHBondContact O-N 3.15Å; P220-F222 HydrophobicContact CG-CE2 4.2Å; P220-F222 HydrophobicContact CG-CZ 4.28Å; F222-V228 HydrophobicContact CD1-CB 4.29Å; F222-V228 HydrophobicContact CD1-CG2 3.6Å; F222-V228 HydrophobicContact CE1-CB 3.85Å; F222-V228 HydrophobicContact CE1-CG2 3.63Å; F222-V228 HydrophobicContact CG-CG2 4.26Å; F222-V228 HydrophobicContact CZ-CB 4.5Å; F222-V228 HydrophobicContact CZ-CG2 4.33Å; F222-F230 HydrophobicContact CE1-CE2 4.44Å; F222-F230 HydrophobicContact CZ-CE2 4.35Å; F222-F230 HydrophobicContact CZ-CZ 4.08Å; F222-I246 HydrophobicContact CD1-CG2 4.26Å; F222-I246 HydrophobicContact CE1-CB 3.97Å; F222-I246 HydrophobicContact CE1-CG2 3.65Å; F222-I246 HydrophobicContact CZ-CG2 4.5Å; F222-N248 HydrophobicContact CB-CB 4.13Å; F222-N248 PolarHBondContact O-ND2 3.15Å
223P88.7Confident83.8Confident31 Ų3145.7 Ų45.720%0.20125%0.246CC..  trans-62.4147.8174.119.6-22.6000111S221 N225 R226S221-P223 WeakPolarHBondContact O-CD 3.37Å; P223-N225 PolarHBondContact O-N 3.2Å; P223-R226 HydrophobicContact CB-CB 4.44Å; P223-R226 HydrophobicContact CG-CB 3.96Å; P223-R226 HydrophobicContact CG-CG 4.34Å; P223-R226 PolarHBondContact O-N 3.09Å
224V88.4Confident84.9Confident88 Ų8841.1 Ų41.153%0.53323%0.23SC..BIsolated β-bridgetrans-59.7134.4-177.4-178.60000110.3R226 N248V224-R226 PolarHBondContact O-N 3.46Å; V224-R226 VanDerWaalsContact O-N 3.11Å; V224-N248 CarbonylContact C-O 3.54Å
225N87.9Confident86.3Confident83 Ų8344.4 Ų44.444%0.44425%0.252SS..THydrogen-bonded Turntrans5917.3178.7-54.5-21.8000115.1P223 N248 D250 F251P223-N225 PolarHBondContact O-N 3.2Å; N225-N248 PolarHBondContact N-O 2.72Å; N225-D250 VanDerWaalsContact CG-O 3.3Å; N225-D250 PolarHBondContact OD1-N 3.29Å; N225-D250 PolarHBondContact OD1-O 3.46Å; N225-F251 WeakPolarHBondContact O-CD2 3.27Å
226R88.6Confident88Confident118 Ų11837.1 Ų37.145%0.44523%0.226SC..  trans-116.4120.6172.5-176.9179.3-174.7-173.72.1110P223 V224P223-R226 HydrophobicContact CB-CB 4.44Å; P223-R226 HydrophobicContact CG-CB 3.96Å; P223-R226 HydrophobicContact CG-CG 4.34Å; P223-R226 PolarHBondContact O-N 3.09Å; V224-R226 PolarHBondContact O-N 3.46Å; V224-R226 VanDerWaalsContact O-N 3.11Å
227P91.9Very high89.8Confident9 Ų932.8 Ų32.86%0.05819%0.191CC..EExtended strand (participates in β ladder)trans-74.8144.6-179.930.1-34.4000111.2Y229 I246 V247 F251P227-Y229 HydrophobicContact CB-CE1 3.98Å; P227-Y229 HydrophobicContact CB-CE2 4.36Å; P227-Y229 HydrophobicContact CG-CE1 4.1Å; P227-Y229 HydrophobicContact CG-CE2 3.92Å; P227-Y229 VanDerWaalsContact CG-CZ 3.46Å; P227-Y229 WeakPolarHBondContact CG-OH 3.44Å; P227-I246 CarbonylContact C-O 3.59Å; P227-I246 WeakPolarHBondContact CA-O 3.38Å; P227-V247 HydrophobicContact CB-CB 4.31Å; P227-F251 HydrophobicContact CG-CD2 4.07Å; P227-F251 HydrophobicContact CG-CE1 4.1Å; P227-F251 HydrophobicContact CG-CE2 3.62Å; P227-F251 HydrophobicContact CG-CG 4.5Å; P227-F251 HydrophobicContact CG-CZ 3.63Å
228V93.3Very high91Very high0 Ų035 Ų350%020%0.198CC..EExtended strand (participates in β ladder)trans-103.3126.5164.2-173.70000107.2W84 Y86 P220 S221 F222 F230 I246W84-V228 HydrophobicContact CE3-CG1 4.29Å; Y86-V228 HydrophobicContact CD1-CG2 4.3Å; Y86-V228 HydrophobicContact CE1-CG2 3.79Å; P220-V228 HydrophobicContact CB-CG1 3.62Å; P220-V228 HydrophobicContact CB-CG2 4.34Å; P220-V228 HydrophobicContact CG-CG1 4.06Å; S221-V228 WeakPolarHBondContact O-CG2 3.32Å; F222-V228 HydrophobicContact CD1-CB 4.29Å; F222-V228 HydrophobicContact CD1-CG2 3.6Å; F222-V228 HydrophobicContact CE1-CB 3.85Å; F222-V228 HydrophobicContact CE1-CG2 3.63Å; F222-V228 HydrophobicContact CG-CG2 4.26Å; F222-V228 HydrophobicContact CZ-CB 4.5Å; F222-V228 HydrophobicContact CZ-CG2 4.33Å; V228-F230 HydrophobicContact CB-CE2 3.93Å; V228-F230 HydrophobicContact CB-CZ 4.46Å; V228-F230 HydrophobicContact CG1-CD2 4.35Å; V228-F230 HydrophobicContact CG1-CE2 3.59Å; V228-F230 HydrophobicContact CG1-CZ 3.76Å; V228-I246 PolarHBondContact N-O 3.32Å; V228-I246 PolarHBondContact O-N 3.21Å
229Y94.9Very high91.8Very high12 Ų1236.8 Ų36.85%0.04720%0.204CC..EExtended strand (participates in β ladder)trans-100.2131.3-178.4-61-66.7000110.4W84 T85 F88 F91 P227W84-Y229 CarbonylContact C-O 3.47Å; W84-Y229 WeakPolarHBondContact CA-O 3.23Å; T85-Y229 PolarHBondContact N-O 3.42Å; T85-Y229 WeakPolarHBondContact O-CB 3.44Å; T85-Y229 PolarHBondContact O-N 3.04Å; F88-Y229 HydrophobicContact CB-CE2 3.86Å; F88-Y229 HydrophobicContact CD2-CE1 4Å; F88-Y229 HydrophobicContact CD2-CE2 4.18Å; F88-Y229 AromaticContact CD2-CZ 3.62Å; F88-Y229 WeakPolarHBondContact CD2-OH 3.47Å; F91-Y229 HydrophobicContact CB-CD1 4.19Å; F91-Y229 HydrophobicContact CB-CD2 4.21Å; F91-Y229 HydrophobicContact CB-CG 3.79Å; F91-Y229 AromaticContact CD1-CD1 3.63Å; F91-Y229 HydrophobicContact CD1-CD1 3.63Å; F91-Y229 AromaticContact CD1-CE1 3.93Å; F91-Y229 HydrophobicContact CD1-CE1 3.93Å; F91-Y229 HydrophobicContact CD1-CG 4.14Å; F91-Y229 AromaticContact CD2-CD1 3.76Å; F91-Y229 HydrophobicContact CD2-CD1 3.76Å; F91-Y229 AromaticContact CD2-CG 3.89Å; F91-Y229 HydrophobicContact CD2-CG 3.89Å; F91-Y229 AromaticContact CE1-CD1 3.71Å; F91-Y229 HydrophobicContact CE1-CD1 3.71Å; F91-Y229 AromaticContact CE1-CE1 3.92Å; F91-Y229 HydrophobicContact CE1-CE1 3.92Å; F91-Y229 AromaticContact CE2-CD1 3.78Å; F91-Y229 HydrophobicContact CE2-CD1 3.78Å; F91-Y229 HydrophobicContact CE2-CG 4.33Å; F91-Y229 AromaticContact CG-CD1 3.6Å; F91-Y229 HydrophobicContact CG-CD1 3.6Å; F91-Y229 HydrophobicContact CG-CD2 4.5Å; F91-Y229 HydrophobicContact CG-CE1 4.34Å; F91-Y229 AromaticContact CG-CG 3.7Å; F91-Y229 HydrophobicContact CG-CG 3.7Å; F91-Y229 AromaticContact CZ-CD1 3.72Å; F91-Y229 HydrophobicContact CZ-CD1 3.72Å; F91-Y229 HydrophobicContact CZ-CE1 4.27Å; P227-Y229 HydrophobicContact CB-CE1 3.98Å; P227-Y229 HydrophobicContact CB-CE2 4.36Å; P227-Y229 HydrophobicContact CG-CE1 4.1Å; P227-Y229 HydrophobicContact CG-CE2 3.92Å; P227-Y229 VanDerWaalsContact CG-CZ 3.46Å; P227-Y229 WeakPolarHBondContact CG-OH 3.44Å
230F95.2Very high92.1Very high0 Ų041.3 Ų41.30%022%0.219CC..EExtended strand (participates in β ladder)trans-112.8138.6175.3-63-96000109.3W48 F73 I82 L83 W84 L107 L208 P220 F222 V228 R243 L244 I246W48-F230 HydrophobicContact CH2-CB 3.82Å; W48-F230 HydrophobicContact CZ3-CB 4.26Å; F73-F230 HydrophobicContact CE1-CD1 4.47Å; F73-F230 HydrophobicContact CE2-CD1 4.46Å; F73-F230 HydrophobicContact CE2-CE1 4.22Å; F73-F230 AromaticContact CZ-CD1 3.79Å; F73-F230 HydrophobicContact CZ-CD1 3.79Å; F73-F230 AromaticContact CZ-CE1 3.92Å; F73-F230 HydrophobicContact CZ-CE1 3.92Å; F73-F230 HydrophobicContact CZ-CG 4.14Å; F73-F230 HydrophobicContact CZ-CZ 4.37Å; I82-F230 HydrophobicContact CG2-CD1 4.19Å; L83-F230 CarbonylContact O-C 3.47Å; L83-F230 VanDerWaalsContact O-CA 3.24Å; L83-F230 WeakPolarHBondContact O-CA 3.4Å; W84-F230 HydrophobicContact CB-CD1 3.85Å; W84-F230 HydrophobicContact CB-CE1 3.84Å; W84-F230 HydrophobicContact CB-CZ 4.5Å; L107-F230 HydrophobicContact CD2-CD1 4.38Å; L107-F230 HydrophobicContact CD2-CE1 3.94Å; L208-F230 HydrophobicContact CD2-CE1 4.2Å; L208-F230 HydrophobicContact CD2-CZ 3.82Å; P220-F230 HydrophobicContact CG-CE1 4.3Å; P220-F230 HydrophobicContact CG-CZ 3.95Å; F222-F230 HydrophobicContact CE1-CE2 4.44Å; F222-F230 HydrophobicContact CZ-CE2 4.35Å; F222-F230 HydrophobicContact CZ-CZ 4.08Å; V228-F230 HydrophobicContact CB-CE2 3.93Å; V228-F230 HydrophobicContact CB-CZ 4.46Å; V228-F230 HydrophobicContact CG1-CD2 4.35Å; V228-F230 HydrophobicContact CG1-CE2 3.59Å; V228-F230 HydrophobicContact CG1-CZ 3.76Å; F230-R243 CarbonylContact O-C 3.59Å; F230-R243 WeakPolarHBondContact O-CA 3.3Å; F230-R243 WeakPolarHBondContact O-CB 3.11Å; F230-L244 PolarHBondContact N-O 3.08Å; F230-L244 PolarHBondContact O-N 2.68Å; F230-I246 HydrophobicContact CD2-CB 4.49Å; F230-I246 HydrophobicContact CD2-CD1 3.8Å; F230-I246 HydrophobicContact CD2-CG1 3.86Å; F230-I246 HydrophobicContact CE2-CB 4.08Å; F230-I246 HydrophobicContact CE2-CD1 3.53Å; F230-I246 HydrophobicContact CE2-CG1 3.79Å; F230-I246 HydrophobicContact CZ-CD1 4.28Å
231L95.2Very high92.2Very high0 Ų042.4 Ų42.40%023%0.225CC..EExtended strand (participates in β ladder)trans-147.2150.6-179.863.6159.6000111.5L83 T85 V104 R243L83-L231 HydrophobicContact CB-CD2 4.2Å; L83-L231 HydrophobicContact CB-CG 4.19Å; L83-L231 WeakPolarHBondContact CB-O 3.39Å; L83-L231 PolarHBondContact N-O 3.01Å; L83-L231 PolarHBondContact O-N 3.35Å; T85-L231 HydrophobicContact CG2-CD2 4.11Å; V104-L231 HydrophobicContact CG1-CD2 4.31Å; L231-R243 HydrophobicContact CB-CB 4.06Å
232A94.3Very high92.3Very high0 Ų041.9 Ų41.90%022%0.221CC..  trans-76.1174.6167.500000110.7W48 I80 Y81 V236 M242W48-A232 HydrophobicContact CZ2-CB 4.42Å; I80-A232 HydrophobicContact CG2-CB 4.29Å; Y81-A232 WeakPolarHBondContact O-CA 3.22Å; A232-V236 HydrophobicContact CB-CB 3.89Å; A232-V236 HydrophobicContact CB-CG1 3.94Å; A232-M242 HydrophobicContact CB-CB 3.96Å; A232-M242 HydrophobicContact CB-CG 3.94Å; A232-M242 HydrophobicContact CB-SD 3.63Å; A232-M242 PolarHBondContact N-O 3.38Å
233Q92.6Very high92.5Very high41 Ų4143.8 Ų43.819%0.19223%0.228CC..  trans-53.2150.5169.759.7-121.626.500112.1Y81 S235 V236 C237Y81-Q233 HydrophobicContact CD2-CB 4.16Å; Q233-S235 VanDerWaalsContact C-N 3.27Å; Q233-S235 PolarHBondContact O-N 2.87Å; Q233-V236 HydrophobicContact CG-CB 4.25Å; Q233-V236 HydrophobicContact CG-CG2 3.79Å; Q233-V236 PolarHBondContact O-N 3.41Å; Q233-C237 PolarHBondContact O-N 3.39Å
234P93Very high92.7Very high40 Ų4042.5 Ų42.526%0.2622%0.219SC..Hα-helixtrans-49.4-42.2-170.7-32.336.1000114.9C94 M96 V236 C237 H238C94-P234 WeakPolarHBondContact O-CB 3.08Å; M96-P234 HydrophobicContact CG-CG 3.76Å; M96-P234 HydrophobicContact SD-CG 4.12Å; P234-V236 VanDerWaalsContact C-N 3.32Å; P234-V236 PolarHBondContact O-N 3.2Å; P234-C237 PolarHBondContact O-N 3.07Å; P234-H238 WeakPolarHBondContact O-CB 3.37Å; P234-H238 PolarHBondContact O-CD2 2.86Å; P234-H238 PolarHBondContact O-N 3.23Å
235S92.8Very high93Very high82 Ų8238.4 Ų38.457%0.57320%0.195SC*.Hα-helixtrans-60.6-38.3179.6560000113.6Q233 S239Q233-S235 VanDerWaalsContact C-N 3.27Å; Q233-S235 PolarHBondContact O-N 2.87Å; S235-S239 WeakPolarHBondContact O-CB 3.27Å; S235-S239 PolarHBondContact O-N 3.37Å; S235-S239 PolarHBondContact O-OG 2.83Å
236V93.2Very high93.2Very high20 Ų2034.4 Ų34.412%0.12117%0.173CC..Hα-helixtrans-84-39.8-179.9-176.50000110.5P50 A232 Q233 P234 H238 S239 R240 M242P50-V236 HydrophobicContact CB-CG1 4.27Å; P50-V236 HydrophobicContact CG-CG1 3.74Å; A232-V236 HydrophobicContact CB-CB 3.89Å; A232-V236 HydrophobicContact CB-CG1 3.94Å; Q233-V236 HydrophobicContact CG-CB 4.25Å; Q233-V236 HydrophobicContact CG-CG2 3.79Å; Q233-V236 PolarHBondContact O-N 3.41Å; P234-V236 VanDerWaalsContact C-N 3.32Å; P234-V236 PolarHBondContact O-N 3.2Å; V236-H238 VanDerWaalsContact C-N 3.35Å; V236-H238 PolarHBondContact O-N 3.06Å; V236-S239 PolarHBondContact O-N 3.31Å; V236-R240 HydrophobicContact CG1-CB 4.45Å; V236-R240 WeakPolarHBondContact O-CB 3.46Å; V236-R240 PolarHBondContact O-N 3.36Å; V236-M242 HydrophobicContact CG1-CB 3.95Å; V236-M242 HydrophobicContact CG1-CG 4.41Å; V236-M242 HydrophobicContact CG1-SD 3.53Å; V236-M242 VanDerWaalsContact CG1-SD 3.53Å
237C94.5Very high93.4Very high1 Ų128.8 Ų28.81%0.00715%0.152CC..Hα-helixtrans-57.9-46.5176.2-174.10000111.2C94 Q233 P234 N241C94-C237 HydrophobicContact CB-CB 3.58Å; C94-C237 WeakPolarHBondContact CB-SG 2.86Å; C94-C237 WeakPolarHBondContact SG-CB 3.26Å; C94-C237 CovalentContact SG-SG 2.04Å; C94-C237 PolarHBondContact SG-SG 3.37Å; Q233-C237 PolarHBondContact O-N 3.39Å; P234-C237 PolarHBondContact O-N 3.07Å; C237-N241 WeakPolarHBondContact O-CA 3.44Å; C237-N241 PolarHBondContact O-N 2.97Å
238H92.7Very high93.3Very high124 Ų12429 Ų2957%0.57415%0.153SC*.Hα-helixtrans-69.2-47.2178.3-76-62.6000113.6S93 P234 V236S93-H238 PolarHBondContact O-CE1 3.48Å; S93-H238 PolarHBondContact O-NE2 3.41Å; P234-H238 WeakPolarHBondContact O-CB 3.37Å; P234-H238 PolarHBondContact O-CD2 2.86Å; P234-H238 PolarHBondContact O-N 3.23Å; V236-H238 VanDerWaalsContact C-N 3.35Å; V236-H238 PolarHBondContact O-N 3.06Å
239S92.8Very high92.9Very high85 Ų8530.3 Ų30.359%0.59417%0.166SC*.Hα-helixtrans-76.7-29.2-172.557.80000113.6S235 V236S235-S239 WeakPolarHBondContact O-CB 3.27Å; S235-S239 PolarHBondContact O-N 3.37Å; S235-S239 PolarHBondContact O-OG 2.83Å; V236-S239 PolarHBondContact O-N 3.31Å
240R92.2Very high92.1Very high122 Ų12235 Ų3546%0.4619%0.192SC..Hα-helixtrans-124.27.3-171.9-60.8-65.8-166.4126.54.1113.7P50 D51 V236 M242P50-R240 HydrophobicContact CB-CB 3.72Å; P50-R240 HydrophobicContact CB-CG 3.69Å; D51-R240 IonicContact OD1-CZ 3.66Å; D51-R240 IonicContact OD1-NH1 2.74Å; D51-R240 PolarHBondContact OD1-NH1 3.48Å; D51-R240 IonicContact OD1-NH2 3.89Å; V236-R240 HydrophobicContact CG1-CB 4.45Å; V236-R240 WeakPolarHBondContact O-CB 3.46Å; V236-R240 PolarHBondContact O-N 3.36Å; R240-M242 PolarHBondContact O-N 2.93Å; R240-M242 VanDerWaalsContact O-N 3.09Å
241N92.6Very high90.9Very high23 Ų2336.4 Ų36.412%0.12320%0.198CC..  trans50.834.6-177.9-172.951.7000112.3F55 T57 C237 R243F55-N241 WeakPolarHBondContact O-CB 3.48Å; F55-N241 PolarHBondContact O-ND2 3.19Å; F55-N241 VanDerWaalsContact O-ND2 3.08Å; T57-N241 PolarHBondContact O-ND2 3.01Å; C237-N241 WeakPolarHBondContact O-CA 3.44Å; C237-N241 PolarHBondContact O-N 2.97Å; N241-R243 VanDerWaalsContact C-N 3.28Å; N241-R243 PolarHBondContact O-N 3.39Å; N241-R243 PolarHBondContact OD1-NE 3.47Å; N241-R243 PolarHBondContact OD1-NH2 2.79Å
242M93Very high89.4Confident0 Ų041.4 Ų41.40%023%0.229CC..  trans-8078.1-173.2-166.3-176-170.200110.7W48 D49 P50 F55 I80 A232 V236 R240W48-M242 HydrophobicContact CB-CE 4.08Å; W48-M242 HydrophobicContact CD2-CE 3.68Å; W48-M242 HydrophobicContact CG-CE 3.41Å; W48-M242 VanDerWaalsContact CG-CE 3.41Å; W48-M242 WeakPolarHBondContact O-CE 3.34Å; D49-M242 VanDerWaalsContact N-CE 3.26Å; P50-M242 HydrophobicContact CB-SD 4.36Å; P50-M242 HydrophobicContact CG-CE 4.44Å; P50-M242 HydrophobicContact CG-SD 3.76Å; F55-M242 HydrophobicContact CD1-CG 4.34Å; F55-M242 HydrophobicContact CD2-CG 3.98Å; F55-M242 HydrophobicContact CE1-CG 4.35Å; F55-M242 HydrophobicContact CE2-CE 4.02Å; F55-M242 HydrophobicContact CE2-CG 3.99Å; F55-M242 HydrophobicContact CG-CB 4.47Å; F55-M242 HydrophobicContact CG-CG 4.16Å; F55-M242 HydrophobicContact CZ-CE 4.49Å; F55-M242 HydrophobicContact CZ-CG 4.17Å; I80-M242 HydrophobicContact CD1-CE 4.36Å; I80-M242 HydrophobicContact CD1-SD 4.25Å; I80-M242 HydrophobicContact CG2-CE 4.33Å; I80-M242 HydrophobicContact CG2-SD 4.25Å; A232-M242 HydrophobicContact CB-CB 3.96Å; A232-M242 HydrophobicContact CB-CG 3.94Å; A232-M242 HydrophobicContact CB-SD 3.63Å; A232-M242 PolarHBondContact N-O 3.38Å; V236-M242 HydrophobicContact CG1-CB 3.95Å; V236-M242 HydrophobicContact CG1-CG 4.41Å; V236-M242 HydrophobicContact CG1-SD 3.53Å; V236-M242 VanDerWaalsContact CG1-SD 3.53Å; R240-M242 PolarHBondContact O-N 2.93Å; R240-M242 VanDerWaalsContact O-N 3.09Å
243R94.4Very high87.6Confident41 Ų4143.6 Ų43.616%0.15525%0.251CS..EExtended strand (participates in β ladder)trans-154.2153.4-177.954.7172.1175.5-170.82.4110.4V60 P61 F91 E92 F230 L231 N241V60-R243 HydrophobicContact CG1-CG 3.78Å; V60-R243 WeakPolarHBondContact CG1-O 3.47Å; V60-R243 HydrophobicContact CG2-CG 4.39Å; P61-R243 VanDerWaalsContact CG-O 3.3Å; P61-R243 WeakPolarHBondContact CG-O 3.4Å; F91-R243 HydrophobicContact CD2-CB 4.05Å; F91-R243 HydrophobicContact CE2-CB 3.64Å; F91-R243 HydrophobicContact CE2-CG 4.02Å; F91-R243 HydrophobicContact CZ-CB 4.49Å; F91-R243 HydrophobicContact CZ-CG 4.43Å; F91-R243 PolarHBondContact O-NH1 2.82Å; E92-R243 VanDerWaalsContact C-NH1 3.35Å; E92-R243 PolarHBondContact O-NH1 3.24Å; F230-R243 CarbonylContact O-C 3.59Å; F230-R243 WeakPolarHBondContact O-CA 3.3Å; F230-R243 WeakPolarHBondContact O-CB 3.11Å; L231-R243 HydrophobicContact CB-CB 4.06Å; N241-R243 VanDerWaalsContact C-N 3.28Å; N241-R243 PolarHBondContact O-N 3.39Å; N241-R243 PolarHBondContact OD1-NE 3.47Å; N241-R243 PolarHBondContact OD1-NH2 2.79Å
244L93.7Very high85.6Confident4 Ų445.5 Ų45.52%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-149.5134.3-174169.472.1000110I46 F55 P61 L63 F230 I246I46-L244 HydrophobicContact CD1-CD2 3.45Å; I46-L244 VanDerWaalsContact CD1-CD2 3.45Å; I46-L244 HydrophobicContact CG1-CD2 4.32Å; I46-L244 HydrophobicContact CG2-CD2 4.5Å; F55-L244 HydrophobicContact CE1-CB 4.42Å; P61-L244 HydrophobicContact CB-CD1 3.51Å; P61-L244 HydrophobicContact CG-CB 4.23Å; P61-L244 HydrophobicContact CG-CD1 3.73Å; P61-L244 WeakPolarHBondContact O-CD1 3.25Å; L63-L244 HydrophobicContact CB-CD1 4.28Å; F230-L244 PolarHBondContact N-O 3.08Å; F230-L244 PolarHBondContact O-N 2.68Å; L244-I246 HydrophobicContact CD2-CD1 3.9Å; L244-I246 HydrophobicContact CD2-CG1 3.86Å; L244-I246 HydrophobicContact CG-CG1 3.96Å
245G93.5Very high83.1Confident1 Ų147.7 Ų47.71%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-90142.6163.800000110.6P61 L62 L63P61-G245 PolarHBondContact O-N 3.39Å; L62-G245 CarbonylContact C-O 3.58Å; L62-G245 WeakPolarHBondContact CA-O 3.5Å; L63-G245 PolarHBondContact N-O 2.97Å
246I93.7Very high80.4Confident0 Ų049.7 Ų49.70%029%0.285CS..EExtended strand (participates in β ladder)trans-129.1132.3170.5-54-173.3000108.3I46 L63 V65 I71 F73 F222 P227 V228 F230 L244I46-I246 HydrophobicContact CD1-CD1 4.22Å; L63-I246 HydrophobicContact CB-CG1 4.2Å; L63-I246 HydrophobicContact CB-CG2 4.5Å; L63-I246 HydrophobicContact CD2-CD1 4.33Å; L63-I246 CarbonylContact O-C 3.46Å; L63-I246 VanDerWaalsContact O-CA 3.29Å; L63-I246 WeakPolarHBondContact O-CA 3.29Å; V65-I246 HydrophobicContact CB-CG2 4.42Å; V65-I246 HydrophobicContact CG1-CG2 3.76Å; V65-I246 HydrophobicContact CG2-CG2 3.73Å; I71-I246 HydrophobicContact CD1-CD1 3.81Å; I71-I246 HydrophobicContact CD1-CG2 3.93Å; I71-I246 HydrophobicContact CG2-CD1 4.07Å; F73-I246 HydrophobicContact CZ-CD1 4.4Å; F222-I246 HydrophobicContact CD1-CG2 4.26Å; F222-I246 HydrophobicContact CE1-CB 3.97Å; F222-I246 HydrophobicContact CE1-CG2 3.65Å; F222-I246 HydrophobicContact CZ-CG2 4.5Å; P227-I246 CarbonylContact C-O 3.59Å; P227-I246 WeakPolarHBondContact CA-O 3.38Å; V228-I246 PolarHBondContact N-O 3.32Å; V228-I246 PolarHBondContact O-N 3.21Å; F230-I246 HydrophobicContact CD2-CB 4.49Å; F230-I246 HydrophobicContact CD2-CD1 3.8Å; F230-I246 HydrophobicContact CD2-CG1 3.86Å; F230-I246 HydrophobicContact CE2-CB 4.08Å; F230-I246 HydrophobicContact CE2-CD1 3.53Å; F230-I246 HydrophobicContact CE2-CG1 3.79Å; F230-I246 HydrophobicContact CZ-CD1 4.28Å; L244-I246 HydrophobicContact CD2-CD1 3.9Å; L244-I246 HydrophobicContact CD2-CG1 3.86Å; L244-I246 HydrophobicContact CG-CG1 3.96Å
247V92.4Very high78.1Confident0 Ų051.2 Ų51.20%029%0.293CS..EExtended strand (participates in β ladder)trans-135.6136.4-179.2660000112.4L62 L63 R64 V65 P227 F251L62-V247 HydrophobicContact CD1-CG1 4.13Å; L62-V247 HydrophobicContact CD2-CG1 4.39Å; L62-V247 HydrophobicContact CG-CG1 4.3Å; L63-V247 PolarHBondContact O-N 3.49Å; R64-V247 WeakPolarHBondContact CA-O 3.42Å; R64-V247 HydrophobicContact CG-CG1 4.06Å; V65-V247 WeakPolarHBondContact CG2-O 3.38Å; V65-V247 PolarHBondContact N-O 2.95Å; P227-V247 HydrophobicContact CB-CB 4.31Å; V247-F251 HydrophobicContact CB-CB 4.08Å; V247-F251 HydrophobicContact CG1-CB 3.73Å; V247-F251 HydrophobicContact CG2-CB 3.69Å; V247-F251 HydrophobicContact CG2-CG 4.31Å
248N90.3Very high75.4Confident14 Ų1456.7 Ų56.78%0.07533%0.329CS..EExtended strand (participates in β ladder)trans-85.7115.7168176.714.3000108.9V65 F222 V224 N225V65-N248 HydrophobicContact CG2-CB 4.39Å; V65-N248 WeakPolarHBondContact O-CA 3.41Å; F222-N248 HydrophobicContact CB-CB 4.13Å; F222-N248 PolarHBondContact O-ND2 3.15Å; V224-N248 CarbonylContact C-O 3.54Å; N225-N248 PolarHBondContact N-O 2.72Å
249G83.9Confident73.2Confident27 Ų2758.3 Ų58.328%0.27833%0.331SS..SBendtrans93.9-150.2179.600000115.1R64R64-G249 PolarHBondContact NH1-O 2.94Å
250D77.4Confident71Confident111 Ų11156.1 Ų56.159%0.59431%0.314SS*.  trans-98.9101.2-174.9-73.1-43.3000111.1R64 N225R64-D250 IonicContact CZ-OD1 3.94Å; R64-D250 IonicContact NH1-OD1 2.74Å; R64-D250 PolarHBondContact NH1-OD1 3.35Å; N225-D250 VanDerWaalsContact CG-O 3.3Å; N225-D250 PolarHBondContact OD1-N 3.29Å; N225-D250 PolarHBondContact OD1-O 3.46Å
251F70.3Confident68.6Low28 Ų2855.7 Ų55.712%0.12332%0.32CS..  trans-95.5117.7172.2-170.4-113.7000110.8L62 N225 P227 V247 L254L62-F251 HydrophobicContact CD2-CD1 4.07Å; N225-F251 WeakPolarHBondContact O-CD2 3.27Å; P227-F251 HydrophobicContact CG-CD2 4.07Å; P227-F251 HydrophobicContact CG-CE1 4.1Å; P227-F251 HydrophobicContact CG-CE2 3.62Å; P227-F251 HydrophobicContact CG-CG 4.5Å; P227-F251 HydrophobicContact CG-CZ 3.63Å; V247-F251 HydrophobicContact CB-CB 4.08Å; V247-F251 HydrophobicContact CG1-CB 3.73Å; V247-F251 HydrophobicContact CG2-CB 3.69Å; V247-F251 HydrophobicContact CG2-CG 4.31Å; F251-L254 HydrophobicContact CE1-CD1 4.45Å; F251-L254 HydrophobicContact CE1-CG 4.36Å
252T65Low66.5Low105 Ų10562.6 Ų62.664%0.64435%0.345SS*.  trans-1051.3174.552.20000112.9L254 L255T252-L254 PolarHBondContact O-N 3.49Å; T252-L255 VanDerWaalsContact CA-CD1 3.46Å; T252-L255 HydrophobicContact CG2-CD1 4.09Å; T252-L255 WeakPolarHBondContact O-CB 3.43Å; T252-L255 WeakPolarHBondContact O-CD1 3.43Å; T252-L255 WeakPolarHBondContact O-CG 3.17Å; T252-L255 PolarHBondContact O-N 2.82Å
253G55Low64.4Low46 Ų4663.9 Ų63.947%0.47435%0.351SS..THydrogen-bonded Turntrans-86.722.5-15600000119.2
254L52Low62.2Low81 Ų8166.9 Ų66.942%0.42437%0.366SS..THydrogen-bonded Turntrans-141.514.5163-74.6165.4000111.9F88 F251 T252 S256F88-L254 HydrophobicContact CD1-CD2 4.02Å; F88-L254 HydrophobicContact CD2-CD1 3.72Å; F88-L254 HydrophobicContact CD2-CD2 4.33Å; F88-L254 HydrophobicContact CE1-CD1 4.4Å; F88-L254 HydrophobicContact CE1-CD2 3.46Å; F88-L254 VanDerWaalsContact CE1-CD2 3.46Å; F88-L254 HydrophobicContact CE2-CD1 3.14Å; F88-L254 HydrophobicContact CE2-CD2 3.82Å; F88-L254 HydrophobicContact CE2-CG 4.07Å; F88-L254 HydrophobicContact CG-CD2 4.43Å; F88-L254 HydrophobicContact CZ-CD1 3.54Å; F88-L254 HydrophobicContact CZ-CD2 3.34Å; F88-L254 HydrophobicContact CZ-CG 4.07Å; F251-L254 HydrophobicContact CE1-CD1 4.45Å; F251-L254 HydrophobicContact CE1-CG 4.36Å; T252-L254 PolarHBondContact O-N 3.49Å; L254-S256 PolarHBondContact O-N 2.86Å
255L40.3Very low59.7Low86 Ų8669.6 Ų69.645%0.4539%0.389SS..  trans-78.663.4-169.5-71169.8000113T252 D257 V260T252-L255 VanDerWaalsContact CA-CD1 3.46Å; T252-L255 HydrophobicContact CG2-CD1 4.09Å; T252-L255 WeakPolarHBondContact O-CB 3.43Å; T252-L255 WeakPolarHBondContact O-CD1 3.43Å; T252-L255 WeakPolarHBondContact O-CG 3.17Å; T252-L255 PolarHBondContact O-N 2.82Å; L255-D257 VanDerWaalsContact CD2-O 3.28Å; L255-D257 WeakPolarHBondContact CD2-O 3.24Å; L255-V260 HydrophobicContact CD2-CB 3.59Å; L255-V260 HydrophobicContact CD2-CG1 4.17Å; L255-V260 HydrophobicContact CD2-CG2 3.32Å; L255-V260 HydrophobicContact CG-CG2 4.42Å
256S36.2Very low57.4Low124 Ų12472.9 Ų72.987%0.86740%0.403SS*.SBendtrans-86.715.3140.6540000111.4L254L254-S256 PolarHBondContact O-N 2.86Å
257D43.3Very low55.1Low53 Ų5374.6 Ų74.628%0.28341%0.41SS..  trans-130.8111.4-176.5-163.7-24.9000112.1L255 Y259L255-D257 VanDerWaalsContact CD2-O 3.28Å; L255-D257 WeakPolarHBondContact CD2-O 3.24Å; D257-Y259 PolarHBondContact O-N 3.32Å; D257-Y259 WeakPolarHBondContact OD1-CB 3.35Å; D257-Y259 WeakPolarHBondContact OD1-CD2 3.31Å; D257-Y259 PolarHBondContact OD1-N 2.94Å
258P38.9Very low52.5Low116 Ų11680.9 Ų80.975%0.75344%0.437SS*.THydrogen-bonded Turntrans-67.33.4176.726.6-31.9000114.8
259Y45.4Very low50.1Low158 Ų15884.4 Ų84.462%0.6246%0.46SS*.THydrogen-bonded Turntrans-99.85.9-175.5-64.4-70.1000116.5D257 N261 R262D257-Y259 PolarHBondContact O-N 3.32Å; D257-Y259 WeakPolarHBondContact OD1-CB 3.35Å; D257-Y259 WeakPolarHBondContact OD1-CD2 3.31Å; D257-Y259 PolarHBondContact OD1-N 2.94Å; Y259-N261 PolarHBondContact O-N 3.32Å; Y259-R262 PolarHBondContact O-N 2.95Å
260V47Very low48Very low38 Ų3886.3 Ų86.323%0.2346%0.463CS..THydrogen-bonded Turntrans-63.1-9.1-176.2172.80000114.9L62 L255L62-V260 HydrophobicContact CD2-CG1 3.99Å; L255-V260 HydrophobicContact CD2-CB 3.59Å; L255-V260 HydrophobicContact CD2-CG1 4.17Å; L255-V260 HydrophobicContact CD2-CG2 3.32Å; L255-V260 HydrophobicContact CG-CG2 4.42Å
261N43.4Very low46.2Very low113 Ų11384.4 Ų84.460%0.60445%0.453SS*.THydrogen-bonded Turntrans-92.83.3-179.5-71-22.7000115.7Y259 F263Y259-N261 PolarHBondContact O-N 3.32Å; N261-F263 VanDerWaalsContact C-N 3.31Å; N261-F263 PolarHBondContact O-N 2.75Å
262R47Very low44.4Very low168 Ų16887.4 Ų87.463%0.63448%0.477SS*.Hα-helixtrans-73.7-19.8-175.8-143.9176.6-172.5171.6-0114.2Y259 A265 F266Y259-R262 PolarHBondContact O-N 2.95Å; R262-A265 PolarHBondContact O-N 3.21Å; R262-F266 HydrophobicContact CG-CD2 3.9Å; R262-F266 HydrophobicContact CG-CE2 3.79Å; R262-F266 WeakPolarHBondContact O-CD2 3.33Å; R262-F266 PolarHBondContact O-N 3.48Å
263F49.1Very low42.5Very low28 Ų2884.8 Ų84.812%0.12347%0.471CS..Hα-helixtrans-73.3-37.1-175.8-111.9-90000114.2I54 P61 N261 A265 F266 W267I54-F263 HydrophobicContact CB-CE1 3.96Å; I54-F263 HydrophobicContact CB-CZ 3.66Å; I54-F263 HydrophobicContact CG2-CE1 3.84Å; I54-F263 HydrophobicContact CG2-CZ 3.91Å; P61-F263 HydrophobicContact CB-CD1 4.19Å; P61-F263 HydrophobicContact CB-CD2 3.79Å; P61-F263 HydrophobicContact CB-CE1 3.73Å; P61-F263 HydrophobicContact CB-CE2 3.31Å; P61-F263 HydrophobicContact CB-CG 4.23Å; P61-F263 HydrophobicContact CB-CZ 3.3Å; P61-F263 HydrophobicContact CG-CE2 4.45Å; P61-F263 HydrophobicContact CG-CZ 4.32Å; N261-F263 VanDerWaalsContact C-N 3.31Å; N261-F263 PolarHBondContact O-N 2.75Å; F263-A265 VanDerWaalsContact C-N 3.3Å; F263-A265 PolarHBondContact O-N 3.26Å; F263-F266 PolarHBondContact O-N 3.44Å; F263-W267 WeakPolarHBondContact O-CB 3.49Å; F263-W267 PolarHBondContact O-N 3.06Å
264Q48.1Very low41.3Very low104 Ų10489 Ų8949%0.48648%0.482SS..Hα-helixtrans-61.6-42.8175.1-80.8179.7-15.100110.7F266 W267 F268Q264-F266 PolarHBondContact O-N 3.14Å; Q264-W267 PolarHBondContact O-N 2.97Å; Q264-F268 HydrophobicContact CB-CD2 4.35Å; Q264-F268 HydrophobicContact CB-CE2 4.12Å; Q264-F268 HydrophobicContact CG-CE2 4.34Å; Q264-F268 WeakPolarHBondContact O-CD2 3.46Å; Q264-F268 PolarHBondContact O-N 3.45Å; Q264-F268 VanDerWaalsContact O-N 3.07Å
265A41.7Very low40.4Very low60 Ų6092.2 Ų92.250%0.49650%0.498SS..Hα-helixtrans-61.2-47177.900000112.6R262 F263 W267 T269R262-A265 PolarHBondContact O-N 3.21Å; F263-A265 VanDerWaalsContact C-N 3.3Å; F263-A265 PolarHBondContact O-N 3.26Å; A265-W267 PolarHBondContact O-N 3.48Å; A265-T269 VanDerWaalsContact O-CG2 3.26Å; A265-T269 WeakPolarHBondContact O-CG2 3.4Å; A265-T269 PolarHBondContact O-N 3.26Å; A265-T269 PolarHBondContact O-OG1 2.96Å; A265-T269 VanDerWaalsContact O-OG1 3.08Å
266F44.1Very low40.1Very low71 Ų7192.7 Ų92.731%0.31151%0.506SS..Hα-helixtrans-70.2-31.7178.9-86.6-73.5000113.8R262 F263 Q264 T269 N270R262-F266 HydrophobicContact CG-CD2 3.9Å; R262-F266 HydrophobicContact CG-CE2 3.79Å; R262-F266 WeakPolarHBondContact O-CD2 3.33Å; R262-F266 PolarHBondContact O-N 3.48Å; F263-F266 PolarHBondContact O-N 3.44Å; Q264-F266 PolarHBondContact O-N 3.14Å; F266-T269 WeakPolarHBondContact CA-OG1 3.28Å; F266-T269 PolarHBondContact O-N 3.15Å; F266-T269 PolarHBondContact O-OG1 3.4Å; F266-T269 VanDerWaalsContact O-OG1 3.14Å; F266-N270 WeakPolarHBondContact O-CB 3.35Å; F266-N270 PolarHBondContact O-N 3.39Å
267W45.9Very low39.7Very low36 Ų3691.8 Ų91.814%0.13650%0.5CS..Hα-helixtrans-76.5-33.9-176.6-151.585.6000111.8H44 F263 Q264 A265 N271H44-W267 HydrophobicContact CB-CH2 4.2Å; H44-W267 HydrophobicContact CB-CZ2 3.74Å; H44-W267 AromaticContact ND1-CE2 3.99Å; H44-W267 AromaticContact ND1-CH2 3.55Å; H44-W267 AromaticContact ND1-CZ2 3.6Å; H44-W267 AromaticContact ND1-CZ3 3.94Å; F263-W267 WeakPolarHBondContact O-CB 3.49Å; F263-W267 PolarHBondContact O-N 3.06Å; Q264-W267 PolarHBondContact O-N 2.97Å; A265-W267 PolarHBondContact O-N 3.48Å; W267-N271 WeakPolarHBondContact CH2-ND2 3.33Å; W267-N271 WeakPolarHBondContact CZ2-ND2 3.36Å; W267-N271 WeakPolarHBondContact CZ3-ND2 3.42Å; W267-N271 PolarHBondContact O-ND2 3.18Å
268F39.1Very low39.2Very low132 Ų13296.9 Ų96.958%0.57953%0.527SS*.Hα-helixtrans-74.4-25170.9-68.1-62.2000112.9Q264Q264-F268 HydrophobicContact CB-CD2 4.35Å; Q264-F268 HydrophobicContact CB-CE2 4.12Å; Q264-F268 HydrophobicContact CG-CE2 4.34Å; Q264-F268 WeakPolarHBondContact O-CD2 3.46Å; Q264-F268 PolarHBondContact O-N 3.45Å; Q264-F268 VanDerWaalsContact O-N 3.07Å
269T39.7Very low38.8Very low88 Ų88100.7 Ų100.754%0.5453%0.531SS..Hα-helixtrans-89.2-26.5178.859.60000114.5A265 F266A265-T269 VanDerWaalsContact O-CG2 3.26Å; A265-T269 WeakPolarHBondContact O-CG2 3.4Å; A265-T269 PolarHBondContact O-N 3.26Å; A265-T269 PolarHBondContact O-OG1 2.96Å; A265-T269 VanDerWaalsContact O-OG1 3.08Å; F266-T269 WeakPolarHBondContact CA-OG1 3.28Å; F266-T269 PolarHBondContact O-N 3.15Å; F266-T269 PolarHBondContact O-OG1 3.4Å; F266-T269 VanDerWaalsContact O-OG1 3.14Å
270N40Very low37.9Very low66 Ų66103.9 Ų103.935%0.35354%0.542SS..Hα-helixtrans-102.6-7.5-175.1-80.8-12.2000115.8F266 S272F266-N270 WeakPolarHBondContact O-CB 3.35Å; F266-N270 PolarHBondContact O-N 3.39Å; N270-S272 PolarHBondContact O-N 3.04Å
271N38.6Very low37Very low72 Ų72109.7 Ų109.739%0.38557%0.572SS.*SBendtrans-82.712.1174.3-76.8-47.3000114.5W267W267-N271 WeakPolarHBondContact CH2-ND2 3.33Å; W267-N271 WeakPolarHBondContact CZ2-ND2 3.36Å; W267-N271 WeakPolarHBondContact CZ3-ND2 3.42Å; W267-N271 PolarHBondContact O-ND2 3.18Å
272S32.3Very low36.2Very low90 Ų90109.1 Ų109.163%0.62958%0.577SS**SBendtrans-113.676.2165.830.80000109.7N270N270-S272 PolarHBondContact O-N 3.04Å
273G26.6Very low35.3Very low50 Ų50106 Ų10652%0.51558%0.581SS.*  trans82.481.3155.600000117.5
274L29.3Very low34.3Very low135 Ų135113.3 Ų113.371%0.70761%0.613SS**  trans-138.590153.5-75175.2000109.8
275I31.7Very low33.3Very low149 Ų149115 Ų11576%0.76463%0.625SS**  trans-75.4122.4163.2-63169.1000106.4S277I275-S277 PolarHBondContact O-N 3.18Å
276P34.7Very low32.5Very low95 Ų95116.5 Ų116.562%0.61763%0.631SS**  trans-71.3100.4165.32.612.2000107.1L278P276-L278 PolarHBondContact O-N 3.34Å
277S28.9Very low31.8Very low105 Ų105120.1 Ų120.173%0.73465%0.654SS**  trans-65.984.2160.256.80000108I275 K279I275-S277 PolarHBondContact O-N 3.18Å; S277-K279 PolarHBondContact O-N 3.43Å
278L32.2Very low31Very low161 Ų161122.9 Ų122.984%0.84368%0.679SS**  trans-68.978.9163.7-92.9158.4000108P276 R280P276-L278 PolarHBondContact O-N 3.34Å; L278-R280 PolarHBondContact O-N 3.38Å
279K29.7Very low30.4Very low196 Ų196123.4 Ų123.485%0.85269%0.688SS**  trans-68.2122.1164.5-150.6174.7-174.4-179.30106.1S277 N281S277-K279 PolarHBondContact O-N 3.43Å; K279-N281 PolarHBondContact O-N 3.44Å
280R27.7Very low30Very low225 Ų225127 Ų12785%0.84970%0.703SS**  trans-40.9136.3166.4-67.4173.1-166.7128.15.4109.3L278L278-R280 PolarHBondContact O-N 3.38Å
281N28.3Very low29.4Very low159 Ų159130.9 Ų130.985%0.8572%0.724SS**  -153.7116.1124.9-89.2-20000109.4K279K279-N281 PolarHBondContact O-N 3.44Å
282S26.7Very low28.9Very low102 Ų102134.8 Ų134.871%0.71374%0.744SS**  trans-48.2151.1153.942.10000111.4
283S26.3Very low28.7Very low102 Ų102141.9 Ų141.971%0.71376%0.759SS**  trans94.8139.8151.586.30000117.8
284F28.1Very low28.7Very low181 Ų181145.5 Ų145.579%0.79477%0.767SS**  trans74.3101.6163.7-82.5-100.6000117.2
285L27.4Very low28.7Very low141 Ų141147.5 Ų147.574%0.73877%0.772SS**  63.8112.582.7-82.1162.4000113.3
286S26.4Very low28.4Very low91 Ų91145.4 Ų145.464%0.63677%0.771SS**  trans60.2128.114167.10000120.4
287N28.2Very low28.2Very low146 Ų146148.8 Ų148.878%0.78178%0.782SS**  trans89123.3140.2-68.5-2.9000119.1
288S29.3Very low28.1Very low95 Ų95150.7 Ų150.766%0.66478%0.78SS**  trans65.8121137.156.40000118.5
289D27.1Very low27.9Very low142 Ų142150.8 Ų150.876%0.75977%0.773SS**  trans43.9116.2131.2-48-35.6000117.4
290L30.9Very low28Very low164 Ų164148 Ų14886%0.85977%0.768SS**  177.7151.9105.9-115.689.5000111.3
291N27.8Very low28.3Very low148 Ų148143.8 Ų143.879%0.79176%0.76SS**  trans-59.3169.3176.8-60.6-53000114.7
292N27.9Very low28.5Very low154 Ų154143.2 Ų143.282%0.82476%0.756SS**  trans74.6108167.4-80.3-15.8000117
293Y26.9Very low28.8Very low238 Ų238142.6 Ų142.693%0.93375%0.75SS**  -163.6154.1112.4-129.6-99.4000113.6
294D27.5Very low29.4Very low127 Ų127147.7 Ų147.768%0.67976%0.759SS**  trans-91.2168.6-153.5-157-3.9000114.8
295Q28.5Very low29.8Very low177 Ų177144.5 Ų144.583%0.82775%0.75SS**  trans-44.6124.6172.2-66.7170.8-7.700113.7
296S26.6Very low30.2Very low105 Ų105147.5 Ų147.573%0.73476%0.757SS**  trans-179.3130.1134.946.30000109.2
297I30Very low30.6Very low166 Ų166150.3 Ų150.385%0.85176%0.76SS**  trans155.496.1137.9-75.3156.2000107.3
298Q27.3Very low30.8Very low145 Ų145147.4 Ų147.468%0.67875%0.751SS**  trans-59.1158.1171.3-72.1-177.8-10.100112.9
299K28.2Very low30.8Very low163 Ų163149.9 Ų149.971%0.70976%0.756SS**  trans74.8116.9150.2-71.6153.1-179.6167.70115.7
300N31Very low30.9Very low138 Ų138147.8 Ų147.874%0.73875%0.751SS**  172.8132106.7-90.5-30.2000115
301I33.7Very low30.9Very low135 Ų135143.8 Ų143.869%0.69274%0.737SS**  trans109.792.5142.6-56.5142.1000120.2
302I33.5Very low31Very low147 Ų147143.4 Ų143.475%0.75474%0.741SS**  37.6120127.5-48.6168.3000120.7
303P33Very low31.2Very low90 Ų90142.8 Ų142.858%0.58474%0.743SS**  trans-78.4135.2165.931.2-30.3000112.3N305P303-N305 PolarHBondContact O-N 3.11Å; P303-N305 VanDerWaalsContact O-N 3.15Å
304K38.3Very low31.3Very low208 Ų208136.4 Ų136.490%0.90473%0.733SS**  trans-7988.5163.3-83-175.9176.4177.70109.1K306K304-K306 PolarHBondContact O-N 3.38Å
305N37.4Very low31.3Very low114 Ų114136.9 Ų136.961%0.6174%0.74SS**  trans-64.3112.6160.2-81-11.5000108.4P303 H307P303-N305 PolarHBondContact O-N 3.11Å; P303-N305 VanDerWaalsContact O-N 3.15Å; N305-H307 PolarHBondContact O-N 3.07Å
306K35.9Very low31.5Very low205 Ų205134 Ų13489%0.89174%0.74SS**  trans-71.791.8150.4-80.4-176.8178.61760106K304 S308K304-K306 PolarHBondContact O-N 3.38Å; K306-S308 PolarHBondContact O-N 3.38Å
307H34.6Very low31.5Very low149 Ų149137 Ų13769%0.6975%0.747SS**  trans-60.599.9166.4-81.9-93.9000108.1N305 L309N305-H307 PolarHBondContact O-N 3.07Å; H307-L309 PolarHBondContact O-N 3Å
308S31.5Very low31.5Very low86 Ų86134.3 Ų134.360%0.60174%0.742SS**  trans-68.3116.2151.255.70000106.4K306 C310K306-S308 PolarHBondContact O-N 3.38Å; S308-C310 PolarHBondContact O-N 3.45Å
309L30Very low31.6Very low146 Ų146132.3 Ų132.376%0.76475%0.745SS**  trans-57.4104.4-177.6-79.296.3000111.3H307H307-L309 PolarHBondContact O-N 3Å
310C28.2Very low31.6Very low98 Ų98129.8 Ų129.866%0.66275%0.747SS**  trans-121.565.3147.4-67.60000106.9C38 S308C38-C310 PolarHBondContact SG-SG 3.02Å; S308-C310 PolarHBondContact O-N 3.45Å
311S31.5Very low31.5Very low81 Ų81129.4 Ų129.457%0.56675%0.75SS**  trans-92.2112.3173.549.30000109.2T313S311-T313 PolarHBondContact O-N 3.48Å
312T30.5Very low31.3Very low140 Ų140127.7 Ų127.786%0.85975%0.75SS**  trans-43.3112.6159.7410000110.8S314T312-S314 PolarHBondContact O-N 3.42Å
313T30.8Very low31Very low141 Ų141129.4 Ų129.487%0.86576%0.76SS**  trans-78.29717426.10000110.4S311 T315S311-T313 PolarHBondContact O-N 3.48Å; T313-T315 PolarHBondContact O-N 3.11Å
314S29.2Very low30.7Very low104 Ų104129.8 Ų129.873%0.72776%0.764SS**  trans-77.1106.9151.150.80000108.5T312T312-S314 PolarHBondContact O-N 3.42Å
315T28.6Very low30.3Very low137 Ų137127.5 Ų127.584%0.8476%0.76SS**  trans20.8104.7149.650.90000118.4T313T313-T315 PolarHBondContact O-N 3.11Å
316S32.3Very low30.1Very low116 Ų116127.4 Ų127.481%0.81176%0.764SS**  trans-168.1123.9132.655.80000110.2
317L26.9Very low30.1Very low168 Ų168123.4 Ų123.488%0.8875%0.752SS**  trans-56.8137.9173.4-71.982.5000111.3
318S28.8Very low30.2Very low109 Ų109119.1 Ų119.176%0.76275%0.748SS**  161.5139.2116.249.70000112.9
319S30.8Very low30.9Very low104 Ų104123.8 Ų123.873%0.72775%0.754SS**  trans64.8106.215955.30000120.1
320S28.1Very low31.6Very low109 Ų109124.6 Ų124.676%0.76275%0.752SS**  trans55.8119.8135.462.70000118.8
321V28.9Very low32.8Very low131 Ų131125.1 Ų125.179%0.79475%0.747SS**  173.9118.2117.3157.10000110.5
322S28.4Very low34Very low99 Ų99126.1 Ų126.169%0.69274%0.744SS**  trans49.4104.3153.962.10000121.3S324S322-S324 PolarHBondContact O-N 3.37Å
323L26.7Very low35.3Very low183 Ų183122.1 Ų122.196%0.95872%0.721SS**  trans-59.2121.3151-9081.7000110.4
324S27.9Very low36.7Very low97 Ų97121 Ų12168%0.67871%0.708SS**  trans-148.9109.2148.262.90000109.5S322S322-S324 PolarHBondContact O-N 3.37Å
325I29.9Very low38.3Very low160 Ų160120.3 Ų120.382%0.82170%0.696SS**  trans67.7110.6146.7-49.1162.9000114.4
326V32.4Very low39.9Very low113 Ų113118 Ų11869%0.68568%0.677SS**  174.5115.5127.6159.10000108
327N36.1Very low41.2Very low121 Ų121118.9 Ų118.965%0.64767%0.667SS**  trans74.7114.9157-62.8-11.7000119.3Y329N327-Y329 HydrophobicContact CB-CD2 4.24Å; N327-Y329 PolarHBondContact O-N 3.18Å
328G36.2Very low42.9Very low59 Ų59118.6 Ų118.661%0.60866%0.655SS**THydrogen-bonded Turntrans-63.735.717700000116.8
329Y46.2Very low44.6Very low184 Ų184119 Ų11972%0.72265%0.647SS**THydrogen-bonded Turntrans-97.1-10.2173.3-76.5-85.6000113.2N327N327-Y329 HydrophobicContact CB-CD2 4.24Å; N327-Y329 PolarHBondContact O-N 3.18Å
330F45.5Very low45.8Very low163 Ų163117.6 Ų117.672%0.71564%0.637SS**SBendtrans-88.6-13.3-179.9-89.1-82.9000115.2I334F330-I334 WeakPolarHBondContact O-CD1 3.34Å
331I53.5Low47.1Very low109 Ų109118.2 Ų118.256%0.55963%0.631SS**Hα-helixtrans-82.7-30.9-175.9-57.2-179.6000111.2I334 I335I331-I334 PolarHBondContact O-N 3.49Å; I331-I335 HydrophobicContact CG2-CD1 3.53Å; I331-I335 HydrophobicContact CG2-CG1 4.04Å; I331-I335 WeakPolarHBondContact O-CG1 3.28Å; I331-I335 PolarHBondContact O-N 3.22Å
332I56.9Low48Very low101 Ų101120.1 Ų120.152%0.51864%0.637SS.*Hα-helixtrans-66.2-44.9-174.9-60.1172.2000113I334 I335 I336I332-I334 VanDerWaalsContact C-N 3.29Å; I332-I334 PolarHBondContact O-N 3.4Å; I332-I335 PolarHBondContact O-N 3.42Å; I332-I336 HydrophobicContact CG2-CD1 3.81Å; I332-I336 WeakPolarHBondContact O-CG1 3.48Å; I332-I336 PolarHBondContact O-N 3.4Å; I332-I336 VanDerWaalsContact O-N 3.11Å
333P56.1Low49Very low57 Ų57121.2 Ų121.237%0.3763%0.634SS.*Hα-helixtrans-65.8-33.4178.7-17.330000112.6F337P333-F337 WeakPolarHBondContact O-CB 3.29Å; P333-F337 PolarHBondContact O-N 3.46Å
334I61.6Low50.2Low117 Ų117117.9 Ų117.960%0.662%0.617SS**Hα-helixtrans-72.3-40.8-178.8-61.3174.5000110.5F330 I331 I332 F337 Y338F330-I334 WeakPolarHBondContact O-CD1 3.34Å; I331-I334 PolarHBondContact O-N 3.49Å; I332-I334 VanDerWaalsContact C-N 3.29Å; I332-I334 PolarHBondContact O-N 3.4Å; I334-F337 PolarHBondContact O-N 3.12Å; I334-Y338 WeakPolarHBondContact O-CB 3.45Å; I334-Y338 PolarHBondContact O-N 3.45Å
335I62.6Low51.4Low90 Ų90119.1 Ų119.146%0.46261%0.614SS.*Hα-helixtrans-64.9-43.3175.4-68.8176.2000111.1I331 I332 F337 Y338 I339I331-I335 HydrophobicContact CG2-CD1 3.53Å; I331-I335 HydrophobicContact CG2-CG1 4.04Å; I331-I335 WeakPolarHBondContact O-CG1 3.28Å; I331-I335 PolarHBondContact O-N 3.22Å; I332-I335 PolarHBondContact O-N 3.42Å; I335-F337 VanDerWaalsContact C-N 3.34Å; I335-F337 PolarHBondContact O-N 3.37Å; I335-Y338 PolarHBondContact O-N 3.29Å; I335-I339 HydrophobicContact CG2-CD1 3.72Å; I335-I339 HydrophobicContact CG2-CG1 4.45Å; I335-I339 VanDerWaalsContact O-CG1 3.29Å; I335-I339 WeakPolarHBondContact O-CG1 3.41Å; I335-I339 PolarHBondContact O-N 3.35Å
336I61.4Low52.7Low88 Ų88116.7 Ų116.745%0.45160%0.601SS.*Hα-helixtrans-64.6-40.6177.9-66.4170.3000110.8I332 Y338 I339 C340I332-I336 HydrophobicContact CG2-CD1 3.81Å; I332-I336 WeakPolarHBondContact O-CG1 3.48Å; I332-I336 PolarHBondContact O-N 3.4Å; I332-I336 VanDerWaalsContact O-N 3.11Å; I336-Y338 VanDerWaalsContact C-N 3.32Å; I336-Y338 PolarHBondContact O-N 3.02Å; I336-I339 PolarHBondContact O-N 3.37Å; I336-C340 PolarHBondContact O-N 3.4Å; I336-C340 VanDerWaalsContact O-N 3.12Å; I336-C340 PolarHBondContact O-SG 3.25Å; I336-C340 VanDerWaalsContact O-SG 3.4Å
337F59.6Low54Low134 Ų134116.9 Ų116.959%0.58860%0.596SS**Hα-helixtrans-64.9-36.4177.2-156.6-100.4000112.3P333 I334 I335 C340 L341P333-F337 WeakPolarHBondContact O-CB 3.29Å; P333-F337 PolarHBondContact O-N 3.46Å; I334-F337 PolarHBondContact O-N 3.12Å; I335-F337 VanDerWaalsContact C-N 3.34Å; I335-F337 PolarHBondContact O-N 3.37Å; F337-C340 PolarHBondContact O-N 3.43Å; F337-L341 HydrophobicContact CD1-CD1 3.48Å; F337-L341 VanDerWaalsContact CD1-CD1 3.48Å; F337-L341 HydrophobicContact CE1-CD1 3.28Å; F337-L341 HydrophobicContact CG-CD1 4.43Å; F337-L341 HydrophobicContact CZ-CD1 4.11Å; F337-L341 PolarHBondContact O-N 3.01Å
338Y63.5Low55.2Low163 Ų163116.7 Ų116.764%0.63959%0.593SS**Hα-helixtrans-72.2-34.3177.6-153.3-93.5000112.8I334 I335 I336 C340I334-Y338 WeakPolarHBondContact O-CB 3.45Å; I334-Y338 PolarHBondContact O-N 3.45Å; I335-Y338 PolarHBondContact O-N 3.29Å; I336-Y338 VanDerWaalsContact C-N 3.32Å; I336-Y338 PolarHBondContact O-N 3.02Å; Y338-C340 VanDerWaalsContact C-N 3.33Å
339I65.4Low56.5Low116 Ų116120.8 Ų120.860%0.59559%0.592SS**Hα-helixtrans-72.2-26.4175.3-67.5168000111.9I335 I336 N342I335-I339 HydrophobicContact CG2-CD1 3.72Å; I335-I339 HydrophobicContact CG2-CG1 4.45Å; I335-I339 VanDerWaalsContact O-CG1 3.29Å; I335-I339 WeakPolarHBondContact O-CG1 3.41Å; I335-I339 PolarHBondContact O-N 3.35Å; I336-I339 PolarHBondContact O-N 3.37Å; I339-N342 VanDerWaalsContact O-OXT 3.11Å
340C54.3Low57.3Low75 Ų75115.9 Ų115.951%0.50758%0.582SS.*THydrogen-bonded Turntrans-87.9-10.6178-68.70000114.4I336 F337 Y338I336-C340 PolarHBondContact O-N 3.4Å; I336-C340 VanDerWaalsContact O-N 3.12Å; I336-C340 PolarHBondContact O-SG 3.25Å; I336-C340 VanDerWaalsContact O-SG 3.4Å; F337-C340 PolarHBondContact O-N 3.43Å; Y338-C340 VanDerWaalsContact C-N 3.33Å
341L55.2Low58.3Low122 Ų122112 Ų11264%0.63957%0.571SS**THydrogen-bonded Turntrans-99.8-17.2-179.4-95.5158.1000113.9F337F337-L341 HydrophobicContact CD1-CD1 3.48Å; F337-L341 VanDerWaalsContact CD1-CD1 3.48Å; F337-L341 HydrophobicContact CE1-CD1 3.28Å; F337-L341 HydrophobicContact CG-CD1 4.43Å; F337-L341 HydrophobicContact CZ-CD1 4.11Å; F337-L341 PolarHBondContact O-N 3.01Å
342N49.3Very low58.7Low172 Ų172112.3 Ų112.392%0.9257%0.572SS**  trans-103.70167.6-74.9-23.4000109.5I339I339-N342 VanDerWaalsContact O-OXT 3.11Å

Retrieved 342 of 342 residues in 57.3 ms (Link to these results)