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Alpha-L-fucosidase

Alpha-L-fucosidase is responsible for hydrolyzing the alpha-1,6-linked fucose joined to the reducing-end N-acetylglucosamine of the carbohydrate moieties of glycoproteins.

AlphaFold DB , UniProt , Accession A0A3Q0KP50, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 527 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
1M54.1Low67.6Low185 Ų185131.7 Ų131.791%0.91162%0.624SS**  0-55.10-87.4176.277.200114.1I3 F4 F5M1-I3 PolarHBondContact O-N 3.38Å; M1-F4 WeakPolarHBondContact O-CB 3.46Å; M1-F4 PolarHBondContact O-N 3.03Å; M1-F4 VanDerWaalsContact O-N 3.07Å; M1-F5 HydrophobicContact CE-CE2 3.94Å; M1-F5 WeakPolarHBondContact O-CD2 3.26Å; M1-F5 PolarHBondContact O-N 3.35Å
2K58Low68.1Low191 Ų191129.4 Ų129.483%0.8362%0.618SS**Hα-helixtrans-57.3-38.9-176.2-72.7-175.9177.2-179.30115.2F4 F5 S6K2-F4 VanDerWaalsContact C-N 3.32Å; K2-F4 PolarHBondContact O-N 3.38Å; K2-F5 PolarHBondContact O-N 3.13Å; K2-S6 PolarHBondContact O-N 2.98Å
3I66.6Low68.6Low142 Ų142127.3 Ų127.373%0.72861%0.611SS**Hα-helixtrans-66.5-35.4177.4-61.6170000111.5M1 S6 F7M1-I3 PolarHBondContact O-N 3.38Å; I3-S6 PolarHBondContact O-N 2.89Å; I3-F7 PolarHBondContact O-N 3.21Å; I3-F7 VanDerWaalsContact O-N 3.12Å
4F65.9Low69Low150 Ų150128.7 Ų128.766%0.65861%0.609SS**Hα-helixtrans-68.5-40.2-179.9-161.1-100.7000111.8M1 K2 F7 I8M1-F4 WeakPolarHBondContact O-CB 3.46Å; M1-F4 PolarHBondContact O-N 3.03Å; M1-F4 VanDerWaalsContact O-N 3.07Å; K2-F4 VanDerWaalsContact C-N 3.32Å; K2-F4 PolarHBondContact O-N 3.38Å; F4-F7 PolarHBondContact O-N 3.44Å; F4-I8 HydrophobicContact CD1-CD1 3.71Å; F4-I8 HydrophobicContact CE1-CD1 3.64Å; F4-I8 HydrophobicContact CE1-CG1 4.45Å; F4-I8 WeakPolarHBondContact O-CG1 3.33Å; F4-I8 PolarHBondContact O-N 3.01Å; F4-I8 VanDerWaalsContact O-N 3.15Å
5F67.5Low69.1Low127 Ų127129.5 Ų129.556%0.55761%0.605SS**Hα-helixtrans-65.6-40.1174.9-79.9-75000112.7M1 K2 F7 I8 Q9M1-F5 HydrophobicContact CE-CE2 3.94Å; M1-F5 WeakPolarHBondContact O-CD2 3.26Å; M1-F5 PolarHBondContact O-N 3.35Å; K2-F5 PolarHBondContact O-N 3.13Å; F5-F7 VanDerWaalsContact C-N 3.29Å; F5-F7 PolarHBondContact O-N 3.4Å; F5-I8 PolarHBondContact O-N 3.43Å; F5-Q9 PolarHBondContact O-N 2.7Å; F5-Q9 VanDerWaalsContact O-N 3.12Å
6S67.4Low69.4Low60 Ų60127.8 Ų127.842%0.4260%0.6SS.*Hα-helixtrans-63.2-36.4175.9-168.90000112.1K2 I3 Q9 F10K2-S6 PolarHBondContact O-N 2.98Å; I3-S6 PolarHBondContact O-N 2.89Å; S6-Q9 PolarHBondContact O-N 3.19Å; S6-F10 PolarHBondContact O-N 3.16Å
7F70.5Confident69.4Low142 Ų142126 Ų12662%0.62359%0.594SS**Hα-helixtrans-68.5-41.7178.4-125.7-90.9000112.1I3 F4 F5 Q9 F10 I11I3-F7 PolarHBondContact O-N 3.21Å; I3-F7 VanDerWaalsContact O-N 3.12Å; F4-F7 PolarHBondContact O-N 3.44Å; F5-F7 VanDerWaalsContact C-N 3.29Å; F5-F7 PolarHBondContact O-N 3.4Å; F7-Q9 VanDerWaalsContact C-N 3.31Å; F7-Q9 PolarHBondContact O-N 3.13Å; F7-F10 PolarHBondContact O-N 3.1Å; F7-I11 HydrophobicContact CD1-CD1 4.19Å; F7-I11 WeakPolarHBondContact O-CG1 3.35Å; F7-I11 PolarHBondContact O-N 2.65Å; F7-I11 VanDerWaalsContact O-N 3.09Å
8I74.5Confident68.9Low72 Ų72123.4 Ų123.437%0.36958%0.582SS.*Hα-helixtrans-61.8-40.5175.8-69.9168.7000111.1F4 F5 F10 I11 L12F4-I8 HydrophobicContact CD1-CD1 3.71Å; F4-I8 HydrophobicContact CE1-CD1 3.64Å; F4-I8 HydrophobicContact CE1-CG1 4.45Å; F4-I8 WeakPolarHBondContact O-CG1 3.33Å; F4-I8 PolarHBondContact O-N 3.01Å; F4-I8 VanDerWaalsContact O-N 3.15Å; F5-I8 PolarHBondContact O-N 3.43Å; I8-F10 PolarHBondContact O-N 3.42Å; I8-I11 PolarHBondContact O-N 2.85Å; I8-L12 HydrophobicContact CG2-CD1 3.87Å; I8-L12 PolarHBondContact O-N 2.83Å
9Q72.1Confident68.4Low145 Ų145121.8 Ų121.868%0.67858%0.576SS**Hα-helixtrans-66.8-37.5-178.8-147.8170.9-1.600112.1F5 S6 F7 L13F5-Q9 PolarHBondContact O-N 2.7Å; F5-Q9 VanDerWaalsContact O-N 3.12Å; S6-Q9 PolarHBondContact O-N 3.19Å; F7-Q9 VanDerWaalsContact C-N 3.31Å; F7-Q9 PolarHBondContact O-N 3.13Å; Q9-L13 WeakPolarHBondContact O-CB 3.39Å; Q9-L13 PolarHBondContact O-N 3.33Å
10F71.9Confident67.8Low148 Ų148118.5 Ų118.565%0.64957%0.566SS**Hα-helixtrans-67.7-40.6173.4-98.4-85.6000112.9S6 F7 I8 L13 Y14S6-F10 PolarHBondContact O-N 3.16Å; F7-F10 PolarHBondContact O-N 3.1Å; I8-F10 PolarHBondContact O-N 3.42Å; F10-L13 PolarHBondContact O-N 2.98Å; F10-Y14 WeakPolarHBondContact O-CB 3.25Å; F10-Y14 PolarHBondContact O-N 3.31Å
11I75.4Confident67.1Low87 Ų87115.5 Ų115.545%0.44656%0.558SS.*Hα-helixtrans-63.9-44.7176.9-67.6169000110.4F7 I8 L13 Y14 Y15F7-I11 HydrophobicContact CD1-CD1 4.19Å; F7-I11 WeakPolarHBondContact O-CG1 3.35Å; F7-I11 PolarHBondContact O-N 2.65Å; F7-I11 VanDerWaalsContact O-N 3.09Å; I8-I11 PolarHBondContact O-N 2.85Å; I11-L13 PolarHBondContact O-N 3.39Å; I11-Y14 PolarHBondContact O-N 2.92Å; I11-Y15 HydrophobicContact CG2-CD2 3.8Å; I11-Y15 HydrophobicContact CG2-CE2 3.92Å; I11-Y15 WeakPolarHBondContact O-CD2 3.39Å; I11-Y15 PolarHBondContact O-N 3.07Å
12L73.3Confident67Low104 Ų104110.6 Ų110.655%0.54554%0.535SS..Hα-helixtrans-61.3-41.9176.2-98.2146.4000112.4I8 Y15 I16I8-L12 HydrophobicContact CG2-CD1 3.87Å; I8-L12 PolarHBondContact O-N 2.83Å; L12-Y15 PolarHBondContact O-N 3.2Å; L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.5Å; L12-I16 PolarHBondContact O-N 2.83Å
13L74.3Confident66.8Low102 Ų102106.5 Ų106.553%0.53452%0.521SS..Hα-helixtrans-65.9-40.6177.7-15878.8000111.7Q9 F10 I11 I16 I17Q9-L13 WeakPolarHBondContact O-CB 3.39Å; Q9-L13 PolarHBondContact O-N 3.33Å; F10-L13 PolarHBondContact O-N 2.98Å; I11-L13 PolarHBondContact O-N 3.39Å; L13-I16 PolarHBondContact O-N 2.88Å; L13-I17 HydrophobicContact CG-CD1 4.44Å; L13-I17 WeakPolarHBondContact O-CG1 3.29Å; L13-I17 PolarHBondContact O-N 2.81Å
14Y74.3Confident66Low147 Ų147109.3 Ų109.358%0.57652%0.524SS*.Hα-helixtrans-62.6-44.1175.7-173-97.5000111.8F10 I11 I16 I17 E18F10-Y14 WeakPolarHBondContact O-CB 3.25Å; F10-Y14 PolarHBondContact O-N 3.31Å; I11-Y14 PolarHBondContact O-N 2.92Å; Y14-I16 PolarHBondContact O-N 2.78Å; Y14-I17 PolarHBondContact O-N 2.92Å; Y14-E18 HydrophobicContact CD1-CG 4.41Å; Y14-E18 HydrophobicContact CE1-CG 3.98Å; Y14-E18 PolarHBondContact O-N 2.65Å
15Y70.5Confident65.1Low141 Ų141107.5 Ų107.555%0.55353%0.525SS*.Hα-helixtrans-65-35.6175.1-91.2-80.9000112.9I11 L12 I19I11-Y15 HydrophobicContact CG2-CD2 3.8Å; I11-Y15 HydrophobicContact CG2-CE2 3.92Å; I11-Y15 WeakPolarHBondContact O-CD2 3.39Å; I11-Y15 PolarHBondContact O-N 3.07Å; L12-Y15 PolarHBondContact O-N 3.2Å; Y15-I19 VanDerWaalsContact O-CB 3.28Å; Y15-I19 WeakPolarHBondContact O-CB 3.14Å; Y15-I19 WeakPolarHBondContact O-CD1 3.46Å; Y15-I19 WeakPolarHBondContact O-CG1 3.46Å; Y15-I19 PolarHBondContact O-N 3.1Å
16I73.4Confident63.9Low101 Ų101108.9 Ų108.952%0.51853%0.531SS..Hα-helixtrans-66.1-41174.5-69.9165.1000110.7L12 L13 Y14 I19 S20L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.5Å; L12-I16 PolarHBondContact O-N 2.83Å; L13-I16 PolarHBondContact O-N 2.88Å; Y14-I16 PolarHBondContact O-N 2.78Å; I16-I19 PolarHBondContact O-N 3.1Å; I16-S20 WeakPolarHBondContact O-CB 3.35Å; I16-S20 PolarHBondContact O-N 3.12Å; I16-S20 PolarHBondContact O-OG 3.2Å
17I69.4Low62.7Low98 Ų98109.5 Ų109.550%0.50354%0.535SS..Hα-helixtrans-66-45.6177.3-66166.3000110.4L13 Y14 S20 S21L13-I17 HydrophobicContact CG-CD1 4.44Å; L13-I17 WeakPolarHBondContact O-CG1 3.29Å; L13-I17 PolarHBondContact O-N 2.81Å; Y14-I17 PolarHBondContact O-N 2.92Å; I17-S20 WeakPolarHBondContact CA-OG 3.32Å; I17-S20 PolarHBondContact O-N 2.92Å; I17-S20 PolarHBondContact O-OG 3.44Å; I17-S21 PolarHBondContact O-N 3.08Å; I17-S21 PolarHBondContact O-OG 2.88Å
18E61.3Low61.6Low80 Ų80110.3 Ų110.337%0.37454%0.544SS..Hα-helixtrans-63.8-41.1175.5-81.4-142.9154.400112.8Y14 S20 S21 I22Y14-E18 HydrophobicContact CD1-CG 4.41Å; Y14-E18 HydrophobicContact CE1-CG 3.98Å; Y14-E18 PolarHBondContact O-N 2.65Å; E18-S20 VanDerWaalsContact C-N 3.28Å; E18-S20 PolarHBondContact O-N 3.3Å; E18-S21 WeakPolarHBondContact CA-OG 3.49Å; E18-S21 PolarHBondContact O-N 2.9Å; E18-S21 PolarHBondContact O-OG 3.22Å; E18-I22 VanDerWaalsContact O-CB 3.3Å; E18-I22 WeakPolarHBondContact O-CB 3.44Å; E18-I22 WeakPolarHBondContact O-CD1 3.48Å; E18-I22 WeakPolarHBondContact O-CG1 3.47Å; E18-I22 PolarHBondContact O-N 2.92Å
19I59.1Low60.3Low93 Ų93114.9 Ų114.948%0.47756%0.561SS.*Hα-helixtrans-63.8-39.1175.2-70.7165.6000109.9Y15 I16 I22 I23Y15-I19 VanDerWaalsContact O-CB 3.28Å; Y15-I19 WeakPolarHBondContact O-CB 3.14Å; Y15-I19 WeakPolarHBondContact O-CD1 3.46Å; Y15-I19 WeakPolarHBondContact O-CG1 3.46Å; Y15-I19 PolarHBondContact O-N 3.1Å; I16-I19 PolarHBondContact O-N 3.1Å; I19-I22 PolarHBondContact O-N 2.75Å; I19-I23 HydrophobicContact CG2-CD1 3.58Å; I19-I23 HydrophobicContact CG2-CG1 4.27Å; I19-I23 WeakPolarHBondContact O-CB 3.41Å; I19-I23 WeakPolarHBondContact O-CD1 3.09Å; I19-I23 WeakPolarHBondContact O-CG1 3.15Å; I19-I23 PolarHBondContact O-N 2.87Å
20S56.9Low59.3Low54 Ų54115.8 Ų115.838%0.37857%0.566SS.*Hα-helixtrans-67.2-39.3176.674.60000112.5I16 I17 E18 I23 Y24I16-S20 WeakPolarHBondContact O-CB 3.35Å; I16-S20 PolarHBondContact O-N 3.12Å; I16-S20 PolarHBondContact O-OG 3.2Å; I17-S20 WeakPolarHBondContact CA-OG 3.32Å; I17-S20 PolarHBondContact O-N 2.92Å; I17-S20 PolarHBondContact O-OG 3.44Å; E18-S20 VanDerWaalsContact C-N 3.28Å; E18-S20 PolarHBondContact O-N 3.3Å; S20-I23 PolarHBondContact O-N 3.04Å; S20-Y24 WeakPolarHBondContact O-CB 3.04Å; S20-Y24 WeakPolarHBondContact O-CD2 3.45Å; S20-Y24 PolarHBondContact O-N 3.02Å
21S52.8Low58.6Low56 Ų56113 Ų11339%0.39256%0.563SS.*Hα-helixtrans-72.7-33.8176.561.10000112.1I17 E18 Y24 T25I17-S21 PolarHBondContact O-N 3.08Å; I17-S21 PolarHBondContact O-OG 2.88Å; E18-S21 WeakPolarHBondContact CA-OG 3.49Å; E18-S21 PolarHBondContact O-N 2.9Å; E18-S21 PolarHBondContact O-OG 3.22Å; S21-Y24 PolarHBondContact O-N 2.99Å; S21-T25 WeakPolarHBondContact O-CB 3.44Å; S21-T25 WeakPolarHBondContact O-CG2 3.28Å; S21-T25 PolarHBondContact O-N 3.09Å; S21-T25 PolarHBondContact O-OG1 3.1Å
22I51.3Low58.6Low83 Ų83115.7 Ų115.743%0.42658%0.578SS.*Hα-helixtrans-69.8-35.1172.1-66.5163.6000111.1E18 I19 T25 K26E18-I22 VanDerWaalsContact O-CB 3.3Å; E18-I22 WeakPolarHBondContact O-CB 3.44Å; E18-I22 WeakPolarHBondContact O-CD1 3.48Å; E18-I22 WeakPolarHBondContact O-CG1 3.47Å; E18-I22 PolarHBondContact O-N 2.92Å; I19-I22 PolarHBondContact O-N 2.75Å; I22-T25 WeakPolarHBondContact CA-OG1 3.4Å; I22-T25 PolarHBondContact O-OG1 3.28Å; I22-K26 WeakPolarHBondContact O-CB 3.37Å; I22-K26 WeakPolarHBondContact O-CG 3.17Å; I22-K26 PolarHBondContact O-N 2.99Å
23I53.8Low59.5Low104 Ų104117.2 Ų117.253%0.53358%0.58SS.*Hα-helixtrans-71.1-38174-69.6167.9000111I19 S20 K26I19-I23 HydrophobicContact CG2-CD1 3.58Å; I19-I23 HydrophobicContact CG2-CG1 4.27Å; I19-I23 WeakPolarHBondContact O-CB 3.41Å; I19-I23 WeakPolarHBondContact O-CD1 3.09Å; I19-I23 WeakPolarHBondContact O-CG1 3.15Å; I19-I23 PolarHBondContact O-N 2.87Å; S20-I23 PolarHBondContact O-N 3.04Å; I23-K26 WeakPolarHBondContact O-CB 3.23Å; I23-K26 PolarHBondContact O-N 3.31Å
24Y50.8Low60.6Low201 Ų201113.6 Ų113.679%0.78856%0.56SS**Hα-helixtrans-74.5-27.8176.1-93.7-83.4000113.5S20 S21S20-Y24 WeakPolarHBondContact O-CB 3.04Å; S20-Y24 WeakPolarHBondContact O-CD2 3.45Å; S20-Y24 PolarHBondContact O-N 3.02Å; S21-Y24 PolarHBondContact O-N 2.99Å
25T46.9Very low61.7Low113 Ų113112.1 Ų112.169%0.69356%0.558SS**Hα-helixtrans-86.9-9.6173.153.70000113.3S21 I22 S27S21-T25 WeakPolarHBondContact O-CB 3.44Å; S21-T25 WeakPolarHBondContact O-CG2 3.28Å; S21-T25 PolarHBondContact O-N 3.09Å; S21-T25 PolarHBondContact O-OG1 3.1Å; I22-T25 WeakPolarHBondContact CA-OG1 3.4Å; I22-T25 PolarHBondContact O-OG1 3.28Å; T25-S27 PolarHBondContact O-N 3.04Å
26K42.2Very low63Low156 Ų156108.3 Ų108.368%0.67855%0.551SS**SBendtrans-66.384.1165.4-92.8179.4-179.5179.50109.5I22 I23I22-K26 WeakPolarHBondContact O-CB 3.37Å; I22-K26 WeakPolarHBondContact O-CG 3.17Å; I22-K26 PolarHBondContact O-N 2.99Å; I23-K26 WeakPolarHBondContact O-CB 3.23Å; I23-K26 PolarHBondContact O-N 3.31Å
27S42.4Very low64.2Low73 Ų73106.1 Ų106.151%0.5154%0.54SS..  trans61.371.3148.4-159.50000113.5T25 K29T25-S27 PolarHBondContact O-N 3.04Å; S27-K29 PolarHBondContact O-N 3.11Å; S27-K29 WeakPolarHBondContact OG-CD 3.08Å; S27-K29 WeakPolarHBondContact OG-CG 3.41Å; S27-K29 PolarHBondContact OG-N 3.14Å
28I47.8Very low65.5Low158 Ų158102.9 Ų102.981%0.8152%0.521SS*.  trans-6476.1130.1-52.7174.7000104.7Q30I28-Q30 VanDerWaalsContact C-N 3.27Å; I28-Q30 PolarHBondContact O-N 3.03Å
29K46.3Very low67.2Low168 Ų168105.1 Ų105.173%0.7354%0.536SS*.  trans-52.7108.4158.5-108.3160.7-172.6-170.80102.1S27S27-K29 PolarHBondContact O-N 3.11Å; S27-K29 WeakPolarHBondContact OG-CD 3.08Å; S27-K29 WeakPolarHBondContact OG-CG 3.41Å; S27-K29 PolarHBondContact OG-N 3.14Å
30Q50.5Low69Low165 Ų165101.8 Ų101.877%0.77152%0.52SS*.PPolyproline II helixtrans-47125.1159.9-85.8-165.5-18.900104.7I28 N32I28-Q30 VanDerWaalsContact C-N 3.27Å; I28-Q30 PolarHBondContact O-N 3.03Å; Q30-N32 PolarHBondContact O-N 3.44Å
31P58.1Low71Confident89 Ų8999.6 Ų99.658%0.57850%0.504SS*.PPolyproline II helixtrans-50.2124.3175.719.2-28.7000105.8K33P31-K33 PolarHBondContact O-N 3.15Å
32N75.4Confident73.1Confident144 Ų14499.4 Ų99.477%0.7750%0.499SS*.PPolyproline II helixtrans-47.4139173.1-76.9-14.4000107.1Q30 Y34Q30-N32 PolarHBondContact O-N 3.44Å; N32-Y34 PolarHBondContact O-N 3.23Å
33K93Very high75.2Confident135 Ų135103.1 Ų103.159%0.58751%0.512SS*.  trans-43.9127.1177.4-172.9176.7-177.3167.60108.9P31 E35 N250 E251P31-K33 PolarHBondContact O-N 3.15Å; K33-E35 PolarHBondContact O-N 2.94Å; K33-N250 WeakPolarHBondContact CA-OD1 3.48Å; K33-N250 HydrophobicContact CG-CB 4.33Å; K33-N250 VanDerWaalsContact CG-CG 3.49Å; K33-N250 WeakPolarHBondContact CG-ND2 3.48Å; K33-N250 WeakPolarHBondContact CG-OD1 3.22Å; K33-E251 IonicContact NZ-OE1 3.95Å; K33-E251 PolarHBondContact NZ-OE1 2.9Å
34Y96.6Very high77.1Confident27 Ų2799.4 Ų99.411%0.10649%0.491CS..  trans-65.7126.3177.7-61.6-74.2000108.9N32 R44 N250N32-Y34 PolarHBondContact O-N 3.23Å; Y34-R44 HydrophobicContact CD1-CB 4.24Å; Y34-R44 HydrophobicContact CE1-CB 3.53Å; Y34-R44 HydrophobicContact CE1-CG 4.03Å; Y34-R44 HydrophobicContact CE2-CG 4.25Å; Y34-R44 WeakPolarHBondContact OH-CG 3.32Å; Y34-N250 PolarHBondContact N-ND2 3.37Å; Y34-N250 PolarHBondContact N-OD1 2.85Å; Y34-N250 PolarHBondContact O-ND2 3.41Å
35E97.8Very high79.3Confident115 Ų11594.3 Ų94.354%0.53748%0.483SS..  trans-86153.9177.6-64.9-179.8168.800109.6K33 N37 S40K33-E35 PolarHBondContact O-N 2.94Å; E35-N37 WeakPolarHBondContact CB-ND2 3.25Å; E35-N37 PolarHBondContact O-N 3.07Å; E35-N37 PolarHBondContact OE2-ND2 2.71Å; E35-S40 PolarHBondContact N-OG 2.91Å
36P97.8Very high81.6Confident62 Ų6291 Ų9140%0.40346%0.461SS..SBendtrans-75.655.3179.933.9-37.6000112.2T242 A246P36-T242 WeakPolarHBondContact O-CB 3.35Å; P36-T242 PolarHBondContact O-OG1 3.45Å; P36-T242 VanDerWaalsContact O-OG1 3.07Å; P36-A246 HydrophobicContact CB-CB 4Å
37N97.6Very high84.2Confident54 Ų5484.4 Ų84.429%0.28943%0.434SS..SBendtrans-146.2147.7174.164.974.3000110.7E35 N39 S40 L41E35-N37 WeakPolarHBondContact CB-ND2 3.25Å; E35-N37 PolarHBondContact O-N 3.07Å; E35-N37 PolarHBondContact OE2-ND2 2.71Å; N37-N39 VanDerWaalsContact C-N 3.27Å; N37-N39 PolarHBondContact O-N 3.23Å; N37-N39 WeakPolarHBondContact OD1-CB 3.33Å; N37-N39 PolarHBondContact OD1-N 3.05Å; N37-S40 PolarHBondContact O-N 3.25Å; N37-S40 PolarHBondContact OD1-N 3.42Å; N37-L41 WeakPolarHBondContact O-CG 3.17Å; N37-L41 PolarHBondContact O-N 3.38Å
38W97.6Very high86.7Confident31 Ų3187.2 Ų87.212%0.11744%0.437CS..Hα-helixtrans-59.1-34.3-176.2-65118.5000114S40 L41 D42 D236 T242 L245 W264 C268 H272W38-S40 PolarHBondContact O-N 3.37Å; W38-S40 VanDerWaalsContact O-N 3.13Å; W38-L41 HydrophobicContact CE3-CB 4.27Å; W38-L41 HydrophobicContact CE3-CD1 4.18Å; W38-L41 HydrophobicContact CZ3-CD1 4.29Å; W38-L41 PolarHBondContact O-N 3.03Å; W38-D42 VanDerWaalsContact O-CB 3.3Å; W38-D42 WeakPolarHBondContact O-CB 3.45Å; W38-D42 PolarHBondContact O-N 3.02Å; W38-D236 HydrophobicContact CZ2-CB 4.07Å; W38-D236 PolarHBondContact NE1-OD2 3.44Å; W38-T242 HydrophobicContact CD2-CG2 4.06Å; W38-T242 HydrophobicContact CG-CG2 4.43Å; W38-T242 HydrophobicContact CH2-CG2 4.46Å; W38-T242 HydrophobicContact CZ2-CG2 3.84Å; W38-L245 HydrophobicContact CH2-CD1 3.61Å; W38-L245 HydrophobicContact CZ3-CD1 3.64Å; W38-W264 HydrophobicContact CH2-CB 4Å; W38-W264 HydrophobicContact CH2-CG 4.44Å; W38-W264 HydrophobicContact CZ2-CB 4.46Å; W38-C268 WeakPolarHBondContact CZ2-SG 3.19Å; W38-H272 VanDerWaalsContact CB-CE1 3.48Å; W38-H272 WeakPolarHBondContact CB-CE1 3.46Å; W38-H272 AromaticContact CD1-CD2 3.89Å; W38-H272 AromaticContact CD1-CE1 3.83Å; W38-H272 AromaticContact CD1-NE2 3.68Å; W38-H272 HydrophobicContact CD2-CB 3.85Å; W38-H272 AromaticContact CD2-CD2 3.86Å; W38-H272 AromaticContact CD2-CG 3.51Å; W38-H272 AromaticContact CD2-ND1 3.65Å; W38-H272 AromaticContact CE2-CD2 3.85Å; W38-H272 AromaticContact CE2-CG 3.88Å; W38-H272 HydrophobicContact CE3-CB 3.58Å; W38-H272 AromaticContact CE3-CG 3.74Å; W38-H272 AromaticContact CE3-ND1 3.91Å; W38-H272 AromaticContact CG-CD2 3.91Å; W38-H272 AromaticContact CG-CE1 3.49Å; W38-H272 VanDerWaalsContact CG-CE1 3.49Å; W38-H272 AromaticContact CG-CG 3.78Å; W38-H272 AromaticContact CG-ND1 3.51Å; W38-H272 AromaticContact CG-NE2 3.78Å; W38-H272 HydrophobicContact CH2-CB 4Å; W38-H272 HydrophobicContact CZ2-CB 4.24Å; W38-H272 HydrophobicContact CZ3-CB 3.68Å; W38-H272 AromaticContact NE1-CD2 3.86Å
39N96.6Very high89.1Confident127 Ų12780.8 Ų80.868%0.67940%0.403SS*.Hα-helixtrans-59.8-25.9176.3-73.3-26.5000113.5N37 K43N37-N39 VanDerWaalsContact C-N 3.27Å; N37-N39 PolarHBondContact O-N 3.23Å; N37-N39 WeakPolarHBondContact OD1-CB 3.33Å; N37-N39 PolarHBondContact OD1-N 3.05Å; N39-K43 VanDerWaalsContact O-CD 3.25Å; N39-K43 WeakPolarHBondContact O-CD 3.31Å; N39-K43 WeakPolarHBondContact O-CE 3.47Å; N39-K43 PolarHBondContact O-NZ 2.75Å
40S97.3Very high91.6Very high22 Ų2272.8 Ų72.815%0.15437%0.368CS..Hα-helixtrans-93-47.7175.3-164.60000111.1E35 N37 W38 K43E35-S40 PolarHBondContact N-OG 2.91Å; N37-S40 PolarHBondContact O-N 3.25Å; N37-S40 PolarHBondContact OD1-N 3.42Å; W38-S40 PolarHBondContact O-N 3.37Å; W38-S40 VanDerWaalsContact O-N 3.13Å; S40-K43 PolarHBondContact O-N 3.14Å
41L97.8Very high93.7Very high8 Ų866.6 Ų66.64%0.04234%0.34CS..Hα-helixtrans-64.1-44.2-175.7-63.4170.6000112.9N37 W38 K43 R44 T242 L245 A246 Y249N37-L41 WeakPolarHBondContact O-CG 3.17Å; N37-L41 PolarHBondContact O-N 3.38Å; W38-L41 HydrophobicContact CE3-CB 4.27Å; W38-L41 HydrophobicContact CE3-CD1 4.18Å; W38-L41 HydrophobicContact CZ3-CD1 4.29Å; W38-L41 PolarHBondContact O-N 3.03Å; L41-K43 PolarHBondContact O-N 3.36Å; L41-K43 VanDerWaalsContact O-N 3.13Å; L41-R44 VanDerWaalsContact O-CB 3.24Å; L41-R44 WeakPolarHBondContact O-CB 3.48Å; L41-R44 PolarHBondContact O-N 3.29Å; L41-T242 HydrophobicContact CD1-CG2 4.03Å; L41-L245 HydrophobicContact CD1-CB 3.92Å; L41-L245 HydrophobicContact CD1-CD1 4.27Å; L41-L245 HydrophobicContact CD2-CB 4.03Å; L41-A246 HydrophobicContact CD2-CB 4.24Å; L41-Y249 HydrophobicContact CD2-CD2 3.77Å; L41-Y249 HydrophobicContact CD2-CE2 4Å
42D96.9Very high95.6Very high52 Ų5265.2 Ų65.228%0.27833%0.326SS..THydrogen-bonded Turntrans-69.8-11.1-177.7-65.7-19.1000112.7W38 R44 H272 G273W38-D42 VanDerWaalsContact O-CB 3.3Å; W38-D42 WeakPolarHBondContact O-CB 3.45Å; W38-D42 PolarHBondContact O-N 3.02Å; D42-R44 VanDerWaalsContact C-N 3.33Å; D42-H272 IonicContact OD1-ND1 3.77Å; D42-H272 IonicContact OD2-CE1 3.68Å; D42-H272 IonicContact OD2-CG 3.94Å; D42-H272 IonicContact OD2-ND1 3.92Å; D42-H272 PolarHBondContact OD2-ND1 2.9Å; D42-G273 PolarHBondContact OD1-N 3.44Å
43K95.4Very high96.7Very high162 Ų16258.6 Ų58.670%0.70429%0.291SS*.THydrogen-bonded Turntrans-85.3-8173.8-67.9177.1-176.7139.30113N39 S40 L41 P45N39-K43 VanDerWaalsContact O-CD 3.25Å; N39-K43 WeakPolarHBondContact O-CD 3.31Å; N39-K43 WeakPolarHBondContact O-CE 3.47Å; N39-K43 PolarHBondContact O-NZ 2.75Å; S40-K43 PolarHBondContact O-N 3.14Å; L41-K43 PolarHBondContact O-N 3.36Å; L41-K43 VanDerWaalsContact O-N 3.13Å; K43-P45 WeakPolarHBondContact O-CD 2.85Å
44R95.4Very high96.9Very high25 Ų2552.1 Ų52.19%0.09426%0.263CS..PPolyproline II helixtrans-63121.3178.9176.9165.9178.6-85.44.3109.6Y34 L41 D42 K255 V258Y34-R44 HydrophobicContact CD1-CB 4.24Å; Y34-R44 HydrophobicContact CE1-CB 3.53Å; Y34-R44 HydrophobicContact CE1-CG 4.03Å; Y34-R44 HydrophobicContact CE2-CG 4.25Å; Y34-R44 WeakPolarHBondContact OH-CG 3.32Å; L41-R44 VanDerWaalsContact O-CB 3.24Å; L41-R44 WeakPolarHBondContact O-CB 3.48Å; L41-R44 PolarHBondContact O-N 3.29Å; D42-R44 VanDerWaalsContact C-N 3.33Å; R44-K255 PolarHBondContact NH2-O 3.38Å; R44-V258 PolarHBondContact NH1-O 3.39Å; R44-V258 PolarHBondContact NH2-O 2.74Å
45P95.1Very high97Very high94 Ų9450.9 Ų50.961%0.6126%0.258SS*.PPolyproline II helixtrans-66.7139.917228.7-33.5000109.8K43K43-P45 WeakPolarHBondContact O-CD 2.85Å
46L95.7Very high97.1Very high43 Ų4345.4 Ų45.423%0.22523%0.233CC..PPolyproline II helixtrans-67.7140.4172-76.2171.8000110.7K48 Y50 V259 G274 K291L46-K48 PolarHBondContact O-N 2.94Å; L46-Y50 HydrophobicContact CD1-CD1 4.04Å; L46-Y50 HydrophobicContact CD1-CE1 4.48Å; L46-V259 HydrophobicContact CD2-CB 4.08Å; L46-V259 HydrophobicContact CD2-CG1 3.63Å; L46-G274 VanDerWaalsContact CD1-O 3.23Å; L46-G274 WeakPolarHBondContact CD1-O 3.37Å; L46-G274 WeakPolarHBondContact CD2-O 3.3Å; L46-G274 WeakPolarHBondContact CG-O 3.16Å; L46-K291 HydrophobicContact CD1-CB 3.53Å; L46-K291 HydrophobicContact CD1-CG 3.63Å
47P96.7Very high97.2Very high18 Ų1842.4 Ų42.412%0.11721%0.213CC..PPolyproline II helixtrans-53.8130.3166.5-25.835.9000110.8W49 Y50 V259P47-W49 VanDerWaalsContact CB-CD1 3.43Å; P47-W49 HydrophobicContact CB-CG 4.47Å; P47-W49 PolarHBondContact O-N 3.28Å; P47-Y50 PolarHBondContact O-N 3.44Å; P47-V259 HydrophobicContact CG-CG1 4.22Å
48K95.8Very high97.2Very high132 Ų13239.9 Ų39.957%0.57420%0.2SC*.Hα-helixtrans-51.6-35.5-174.8177.7170173166.40113.9L46 Y50 D51 E52L46-K48 PolarHBondContact O-N 2.94Å; K48-Y50 PolarHBondContact O-N 2.99Å; K48-D51 PolarHBondContact O-N 3.05Å; K48-E52 VanDerWaalsContact CE-CD 3.47Å; K48-E52 WeakPolarHBondContact CE-OE1 3.32Å; K48-E52 HydrophobicContact CG-CG 4.14Å; K48-E52 IonicContact NZ-OE1 3.73Å; K48-E52 WeakPolarHBondContact O-CG 3.25Å; K48-E52 PolarHBondContact O-N 3.43Å; K48-E52 VanDerWaalsContact O-N 3.15Å
49W97.6Very high97.3Very high23 Ų2338.4 Ų38.49%0.08719%0.194CC..Hα-helixtrans-56.5-34.8-178.777.8-102.7000112.5P47 E52 A53 Y130 R178 E225 V226 T257 V259P47-W49 VanDerWaalsContact CB-CD1 3.43Å; P47-W49 HydrophobicContact CB-CG 4.47Å; P47-W49 PolarHBondContact O-N 3.28Å; W49-E52 PolarHBondContact O-N 2.8Å; W49-A53 HydrophobicContact CE3-CB 3.92Å; W49-A53 HydrophobicContact CZ3-CB 4.07Å; W49-A53 WeakPolarHBondContact O-CB 3.33Å; W49-A53 PolarHBondContact O-N 2.66Å; W49-Y130 HydrophobicContact CH2-CG 4.43Å; W49-Y130 HydrophobicContact CZ3-CD1 4.13Å; W49-Y130 HydrophobicContact CZ3-CG 4.12Å; W49-R178 VanDerWaalsContact CD1-CZ 3.49Å; W49-R178 HydrophobicContact CD2-CG 4.5Å; W49-R178 HydrophobicContact CE3-CG 4.27Å; W49-R178 HydrophobicContact CH2-CB 4.29Å; W49-R178 HydrophobicContact CZ3-CB 4.31Å; W49-R178 HydrophobicContact CZ3-CG 4.36Å; W49-E225 HydrophobicContact CZ2-CB 4.2Å; W49-V226 HydrophobicContact CH2-CG2 3.71Å; W49-V226 HydrophobicContact CZ2-CG2 4.25Å; W49-T257 PolarHBondContact NE1-O 3.14Å; W49-V259 HydrophobicContact CH2-CG2 4.24Å; W49-V259 HydrophobicContact CZ2-CG1 4.24Å; W49-V259 HydrophobicContact CZ2-CG2 3.98Å
50Y98.3Very high97.4Very high0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-69.2-42.9-173.9-177.6-109.5000110.1L46 P47 K48 E52 A53 Y130 V259 Y275 K291 E293 N333L46-Y50 HydrophobicContact CD1-CD1 4.04Å; L46-Y50 HydrophobicContact CD1-CE1 4.48Å; P47-Y50 PolarHBondContact O-N 3.44Å; K48-Y50 PolarHBondContact O-N 2.99Å; Y50-E52 VanDerWaalsContact C-N 3.32Å; Y50-E52 PolarHBondContact O-N 2.96Å; Y50-A53 PolarHBondContact O-N 3.07Å; Y50-Y130 HydrophobicContact CE2-CE2 4.36Å; Y50-V259 HydrophobicContact CD1-CG1 4.36Å; Y50-V259 HydrophobicContact CD2-CB 4.46Å; Y50-V259 HydrophobicContact CD2-CG1 4.33Å; Y50-V259 HydrophobicContact CD2-CG2 3.69Å; Y50-V259 HydrophobicContact CE2-CG2 3.92Å; Y50-V259 HydrophobicContact CG-CB 4.41Å; Y50-V259 HydrophobicContact CG-CG1 3.92Å; Y50-V259 HydrophobicContact CG-CG2 4.11Å; Y50-Y275 HydrophobicContact CD1-CD1 4.38Å; Y50-Y275 AromaticContact CE1-CD1 3.52Å; Y50-Y275 HydrophobicContact CE1-CD1 3.52Å; Y50-Y275 HydrophobicContact CE1-CD2 4.39Å; Y50-Y275 HydrophobicContact CE1-CE1 4.09Å; Y50-Y275 AromaticContact CE1-CG 3.69Å; Y50-Y275 HydrophobicContact CE1-CG 3.69Å; Y50-Y275 HydrophobicContact CE2-CD1 4.48Å; Y50-Y275 HydrophobicContact CE2-CE1 4.24Å; Y50-Y275 AromaticContact CZ-CD1 3.58Å; Y50-Y275 AromaticContact CZ-CE1 3.67Å; Y50-Y275 AromaticContact CZ-CG 3.83Å; Y50-Y275 VanDerWaalsContact OH-CD2 3.29Å; Y50-Y275 WeakPolarHBondContact OH-CD2 3.48Å; Y50-Y275 VanDerWaalsContact OH-CE2 3.27Å; Y50-Y275 WeakPolarHBondContact OH-CE2 3.12Å; Y50-K291 HydrophobicContact CD1-CG 4.25Å; Y50-K291 HydrophobicContact CE1-CG 4.01Å; Y50-E293 WeakPolarHBondContact OH-CB 3.43Å; Y50-E293 VanDerWaalsContact OH-CD 3.25Å; Y50-E293 PolarHBondContact OH-OE2 3.48Å; Y50-N333 WeakPolarHBondContact CE2-ND2 3.45Å; Y50-N333 VanDerWaalsContact CZ-ND2 3.34Å; Y50-N333 PolarHBondContact O-ND2 2.89Å; Y50-N333 PolarHBondContact O-OD1 2.97Å
51D96Very high97.4Very high36 Ų3631.7 Ų31.719%0.19316%0.156CC..Hα-helixtrans-68.7-31174.5-177.353.2000113.1K48 K54 K291 Q372K48-D51 PolarHBondContact O-N 3.05Å; D51-K54 WeakPolarHBondContact O-CD 3.05Å; D51-K54 WeakPolarHBondContact O-CE 3.44Å; D51-K54 PolarHBondContact O-NZ 2.77Å; D51-K54 IonicContact OD1-NZ 3.34Å; D51-K54 PolarHBondContact OD1-NZ 3.11Å; D51-K54 IonicContact OD2-NZ 3.96Å; D51-K291 IonicContact OD1-NZ 2.74Å; D51-K291 PolarHBondContact OD1-NZ 2.84Å; D51-Q372 PolarHBondContact OD2-NE2 2.76Å
52E97.3Very high97.4Very high59 Ų5931.3 Ų31.328%0.27616%0.155SC..Hα-helixtrans-75.9-27.4176.8-67.7-176.4150.200113.4K48 W49 Y50 A370K48-E52 VanDerWaalsContact CE-CD 3.47Å; K48-E52 WeakPolarHBondContact CE-OE1 3.32Å; K48-E52 HydrophobicContact CG-CG 4.14Å; K48-E52 IonicContact NZ-OE1 3.73Å; K48-E52 WeakPolarHBondContact O-CG 3.25Å; K48-E52 PolarHBondContact O-N 3.43Å; K48-E52 VanDerWaalsContact O-N 3.15Å; W49-E52 PolarHBondContact O-N 2.8Å; Y50-E52 VanDerWaalsContact C-N 3.32Å; Y50-E52 PolarHBondContact O-N 2.96Å; E52-A370 HydrophobicContact CB-CB 3.99Å; E52-A370 HydrophobicContact CG-CB 3.75Å; E52-A370 PolarHBondContact O-N 3.37Å; E52-A370 VanDerWaalsContact O-N 3.08Å
53A98.1Very high97.5Very high5 Ų528.9 Ų28.94%0.04114%0.141CC..Hα-helixtrans-69.2-38.6-172.500000113.6W49 Y50 I55 R129 Y130 Y369W49-A53 HydrophobicContact CE3-CB 3.92Å; W49-A53 HydrophobicContact CZ3-CB 4.07Å; W49-A53 WeakPolarHBondContact O-CB 3.33Å; W49-A53 PolarHBondContact O-N 2.66Å; Y50-A53 PolarHBondContact O-N 3.07Å; A53-I55 PolarHBondContact O-N 2.83Å; A53-R129 HydrophobicContact CB-CB 3.6Å; A53-R129 HydrophobicContact CB-CG 4.35Å; A53-R129 WeakPolarHBondContact O-CG 3.05Å; A53-Y130 HydrophobicContact CB-CD1 3.95Å; A53-Y130 HydrophobicContact CB-CE1 4.22Å; A53-Y369 VanDerWaalsContact O-CD1 3.23Å; A53-Y369 WeakPolarHBondContact O-CD1 3.31Å; A53-Y369 WeakPolarHBondContact O-CE1 3.43Å
54K98.5Very high97.7Very high0 Ų021.3 Ų21.30%011%0.108CC..  trans57-40.5-180-57.3-53.5-174.8-167.80117.6D51 V328 N333 I334 I368 Y369 T371D51-K54 WeakPolarHBondContact O-CD 3.05Å; D51-K54 WeakPolarHBondContact O-CE 3.44Å; D51-K54 PolarHBondContact O-NZ 2.77Å; D51-K54 IonicContact OD1-NZ 3.34Å; D51-K54 PolarHBondContact OD1-NZ 3.11Å; D51-K54 IonicContact OD2-NZ 3.96Å; K54-V328 HydrophobicContact CB-CG2 4.03Å; K54-V328 HydrophobicContact CD-CG1 4.22Å; K54-V328 HydrophobicContact CD-CG2 4.31Å; K54-V328 HydrophobicContact CG-CG1 4.4Å; K54-V328 HydrophobicContact CG-CG2 4.27Å; K54-N333 WeakPolarHBondContact CA-OD1 2.99Å; K54-N333 CarbonylContact O-C 3.52Å; K54-N333 WeakPolarHBondContact O-CA 3.41Å; K54-N333 WeakPolarHBondContact O-CB 3.19Å; K54-I334 PolarHBondContact O-N 3.32Å; K54-I368 HydrophobicContact CB-CG2 4.2Å; K54-I368 HydrophobicContact CG-CG2 4.42Å; K54-I368 WeakPolarHBondContact CG-O 3.49Å; K54-Y369 HydrophobicContact CB-CD1 4.4Å; K54-T371 WeakPolarHBondContact CE-O 3.24Å; K54-T371 PolarHBondContact NZ-O 2.79Å
55I98.9Very high97.8Very high0 Ų020.1 Ų20.10%010%0.104CC..EExtended strand (participates in β ladder)trans-127.9126.7-169.4-54.7178.8000109.6A53 A128 R129 Y130 V324 I334 I336 L357 L361 I368 Y369A53-I55 PolarHBondContact O-N 2.83Å; I55-A128 HydrophobicContact CG2-CB 4.31Å; I55-R129 PolarHBondContact O-N 3.08Å; I55-Y130 WeakPolarHBondContact O-CD1 3.4Å; I55-Y130 VanDerWaalsContact O-CE1 3.31Å; I55-Y130 WeakPolarHBondContact O-CE1 3.39Å; I55-V324 HydrophobicContact CD1-CG1 3.69Å; I55-V324 HydrophobicContact CG1-CG1 4.28Å; I55-I334 CarbonylContact C-O 3.19Å; I55-I334 WeakPolarHBondContact CA-O 3.08Å; I55-I334 HydrophobicContact CB-CG2 4.29Å; I55-I334 HydrophobicContact CG1-CG2 3.92Å; I55-I334 HydrophobicContact CG2-CG2 4.21Å; I55-I336 HydrophobicContact CG2-CD1 3.96Å; I55-L357 HydrophobicContact CG2-CD2 4.49Å; I55-L361 HydrophobicContact CD1-CD1 3.65Å; I55-L361 HydrophobicContact CD1-CD2 3.66Å; I55-L361 HydrophobicContact CD1-CG 4.26Å; I55-I368 HydrophobicContact CD1-CG2 4.19Å; I55-Y369 HydrophobicContact CD1-CE1 4.38Å; I55-Y369 HydrophobicContact CG1-CE1 4.4Å
56G98.8Very high98Very high0 Ų016.2 Ų16.20%08%0.079CC..EExtended strand (participates in β ladder)trans-127.2161.9172.900000112.3Y130 I334 I336G56-Y130 CarbonylContact C-O 3.57Å; G56-Y130 VanDerWaalsContact CA-CZ 3.4Å; G56-Y130 WeakPolarHBondContact CA-O 3.34Å; G56-Y130 PolarHBondContact N-OH 3.49Å; G56-I334 PolarHBondContact N-O 3.5Å; G56-I336 PolarHBondContact O-N 3.42Å
57I98.9Very high98.1Very high0 Ų014.2 Ų14.20%07%0.068CC..EExtended strand (participates in β ladder)trans-106.8136171.2-57.7-54.3000109.5I59 F123 A128 Y130 V131 V132 L335 I336 V338 L354I57-I59 HydrophobicContact CG2-CG1 4.21Å; I57-F123 HydrophobicContact CB-CD1 4.29Å; I57-F123 HydrophobicContact CG1-CB 4.35Å; I57-F123 HydrophobicContact CG1-CD1 4.03Å; I57-F123 HydrophobicContact CG1-CG 4.32Å; I57-F123 HydrophobicContact CG2-CD1 3.87Å; I57-F123 HydrophobicContact CG2-CE1 3.74Å; I57-F123 HydrophobicContact CG2-CG 4.45Å; I57-F123 HydrophobicContact CG2-CZ 4.22Å; I57-A128 HydrophobicContact CD1-CB 3.97Å; I57-A128 HydrophobicContact CG1-CB 3.58Å; I57-Y130 PolarHBondContact N-O 3.26Å; I57-V131 HydrophobicContact CB-CG2 4.24Å; I57-V131 CarbonylContact O-C 3.45Å; I57-V131 VanDerWaalsContact O-CA 3.24Å; I57-V131 WeakPolarHBondContact O-CA 3.22Å; I57-V132 PolarHBondContact O-N 3.18Å; I57-L335 VanDerWaalsContact C-CD1 3.46Å; I57-I336 WeakPolarHBondContact CA-O 3.12Å; I57-I336 HydrophobicContact CD1-CB 4.37Å; I57-V338 HydrophobicContact CG2-CG2 4.27Å; I57-L354 HydrophobicContact CD1-CD2 3.54Å
58F98.9Very high98.1Very high1 Ų113.7 Ų13.70%0.0047%0.065CC..EExtended strand (participates in β ladder)trans-112.3146172.4-158.4-178.4000109.8H60 V132 Y182 C295 W303 L335 I336 N337 V338F58-H60 AromaticContact CD1-CE1 3.9Å; F58-H60 AromaticContact CE1-CE1 3.24Å; F58-H60 WeakPolarHBondContact CE1-CE1 3.48Å; F58-H60 AromaticContact CE1-ND1 3.83Å; F58-H60 AromaticContact CE2-CE1 3.82Å; F58-H60 AromaticContact CE2-ND1 3.93Å; F58-H60 AromaticContact CZ-CE1 3.13Å; F58-H60 WeakPolarHBondContact CZ-CE1 3.18Å; F58-H60 AromaticContact CZ-ND1 3.68Å; F58-H60 AromaticContact CZ-NE2 3.9Å; F58-V132 CarbonylContact C-O 3.46Å; F58-V132 WeakPolarHBondContact CA-O 3.47Å; F58-V132 HydrophobicContact CD2-CB 3.81Å; F58-V132 HydrophobicContact CD2-CG1 3.85Å; F58-V132 WeakPolarHBondContact CD2-O 3.18Å; F58-V132 HydrophobicContact CE2-CB 4.33Å; F58-V132 HydrophobicContact CE2-CG1 3.83Å; F58-V132 HydrophobicContact CG-CB 4.47Å; F58-Y182 HydrophobicContact CE1-CD2 4.27Å; F58-Y182 VanDerWaalsContact CE2-CB 3.48Å; F58-Y182 HydrophobicContact CE2-CD2 4.01Å; F58-Y182 AromaticContact CE2-CG 3.94Å; F58-Y182 HydrophobicContact CE2-CG 3.94Å; F58-Y182 AromaticContact CZ-CD2 3.31Å; F58-Y182 HydrophobicContact CZ-CD2 3.31Å; F58-Y182 HydrophobicContact CZ-CE2 4.04Å; F58-Y182 AromaticContact CZ-CG 3.71Å; F58-Y182 HydrophobicContact CZ-CG 3.71Å; F58-C295 VanDerWaalsContact CD1-SG 3.53Å; F58-W303 HydrophobicContact CD1-CE3 4.34Å; F58-W303 AromaticContact CD1-CZ3 3.83Å; F58-W303 HydrophobicContact CD1-CZ3 3.83Å; F58-W303 HydrophobicContact CE1-CE3 4.41Å; F58-W303 HydrophobicContact CE1-CZ3 4.05Å; F58-L335 HydrophobicContact CB-CD1 3.69Å; F58-L335 HydrophobicContact CB-CD2 4.17Å; F58-L335 HydrophobicContact CB-CG 3.71Å; F58-L335 HydrophobicContact CD1-CD2 3.8Å; F58-L335 HydrophobicContact CD1-CG 4.06Å; F58-L335 HydrophobicContact CE1-CD2 4.43Å; F58-L335 HydrophobicContact CG-CD1 4.35Å; F58-L335 HydrophobicContact CG-CD2 3.99Å; F58-L335 HydrophobicContact CG-CG 4.09Å; F58-I336 PolarHBondContact N-O 3.38Å; F58-N337 HydrophobicContact CB-CB 3.89Å; F58-N337 HydrophobicContact CD1-CB 4.43Å; F58-N337 HydrophobicContact CG-CB 4.45Å; F58-N337 CarbonylContact O-C 3.51Å; F58-N337 VanDerWaalsContact O-CA 3.27Å; F58-N337 WeakPolarHBondContact O-CA 3.23Å; F58-N337 PolarHBondContact O-OD1 3.45Å; F58-V338 PolarHBondContact O-N 3.27Å
59I98.8Very high98.2Very high0 Ų09.6 Ų9.60%05%0.046CC..EExtended strand (participates in β ladder)trans-131.8104.4-176-48.2170.8000108.8I57 W61 W119 F123 V131 V132 L133 T134 L167 V338 P340I57-I59 HydrophobicContact CG2-CG1 4.21Å; I59-W61 HydrophobicContact CG2-CB 4.19Å; I59-W61 PolarHBondContact O-N 2.92Å; I59-W119 HydrophobicContact CD1-CE3 3.98Å; I59-W119 HydrophobicContact CD1-CZ3 4.03Å; I59-W119 HydrophobicContact CG2-CH2 4.27Å; I59-W119 HydrophobicContact CG2-CZ3 3.84Å; I59-F123 HydrophobicContact CD1-CE2 3.46Å; I59-F123 VanDerWaalsContact CD1-CE2 3.46Å; I59-F123 HydrophobicContact CD1-CZ 3.48Å; I59-F123 VanDerWaalsContact CD1-CZ 3.48Å; I59-F123 HydrophobicContact CG1-CE2 4.41Å; I59-F123 HydrophobicContact CG1-CZ 4.06Å; I59-V131 HydrophobicContact CD1-CG2 3.69Å; I59-V131 HydrophobicContact CG1-CG2 4.22Å; I59-V132 PolarHBondContact N-O 3.03Å; I59-L133 HydrophobicContact CB-CD1 3.87Å; I59-L133 HydrophobicContact CD1-CD1 4.39Å; I59-L133 HydrophobicContact CG2-CD1 3.86Å; I59-T134 VanDerWaalsContact O-CB 3.25Å; I59-T134 WeakPolarHBondContact O-CB 3.46Å; I59-T134 PolarHBondContact O-N 3.27Å; I59-T134 PolarHBondContact O-OG1 2.95Å; I59-L167 HydrophobicContact CD1-CD2 3.79Å; I59-V338 WeakPolarHBondContact CA-O 3.16Å; I59-V338 HydrophobicContact CG1-CG2 4.45Å; I59-P340 HydrophobicContact CG2-CG 3.39Å
60H98.4Very high98.2Very high6 Ų613.1 Ų13.13%0.0286%0.059CC..  trans-89.1100.9170.5-86.383.2000110.7F58 F64 T134 H137 W303 N337 V338 P340F58-H60 AromaticContact CD1-CE1 3.9Å; F58-H60 AromaticContact CE1-CE1 3.24Å; F58-H60 WeakPolarHBondContact CE1-CE1 3.48Å; F58-H60 AromaticContact CE1-ND1 3.83Å; F58-H60 AromaticContact CE2-CE1 3.82Å; F58-H60 AromaticContact CE2-ND1 3.93Å; F58-H60 AromaticContact CZ-CE1 3.13Å; F58-H60 WeakPolarHBondContact CZ-CE1 3.18Å; F58-H60 AromaticContact CZ-ND1 3.68Å; F58-H60 AromaticContact CZ-NE2 3.9Å; H60-F64 HydrophobicContact CB-CZ 4.32Å; H60-T134 WeakPolarHBondContact CA-OG1 3.27Å; H60-H137 AromaticContact CD2-CD2 3.99Å; H60-W303 HydrophobicContact CB-CB 4Å; H60-W303 VanDerWaalsContact CB-O 3.31Å; H60-W303 WeakPolarHBondContact CB-O 3.31Å; H60-W303 AromaticContact CE1-CD2 3.79Å; H60-W303 AromaticContact CE1-CE3 3.43Å; H60-W303 VanDerWaalsContact CE1-CE3 3.43Å; H60-W303 AromaticContact ND1-CE3 3.6Å; H60-N337 PolarHBondContact N-OD1 3.44Å; H60-N337 VanDerWaalsContact N-OD1 3.14Å; H60-N337 PolarHBondContact ND1-OD1 2.88Å; H60-V338 PolarHBondContact N-O 3.02Å; H60-P340 VanDerWaalsContact O-CD 3.28Å; H60-P340 WeakPolarHBondContact O-CD 3.42Å
61W98.6Very high98.1Very high1 Ų113.8 Ų13.80%0.0046%0.063CC..  trans-139.1135.7-176.1-161.841.5000110.4I59 F109 A111 F114 W119 N143 L163 P340 T341I59-W61 HydrophobicContact CG2-CB 4.19Å; I59-W61 PolarHBondContact O-N 2.92Å; W61-F109 AromaticContact CD1-CE2 3.99Å; W61-F109 HydrophobicContact CD2-CE2 4.19Å; W61-F109 AromaticContact CD2-CZ 3.84Å; W61-F109 HydrophobicContact CD2-CZ 3.84Å; W61-F109 AromaticContact CE2-CE2 3.52Å; W61-F109 AromaticContact CE2-CZ 3.52Å; W61-F109 HydrophobicContact CE3-CZ 4.34Å; W61-F109 HydrophobicContact CG-CE2 4.43Å; W61-F109 HydrophobicContact CG-CZ 4.3Å; W61-F109 HydrophobicContact CH2-CZ 4.26Å; W61-F109 AromaticContact CZ2-CE2 3.82Å; W61-F109 HydrophobicContact CZ2-CE2 3.82Å; W61-F109 AromaticContact CZ2-CZ 3.72Å; W61-F109 HydrophobicContact CZ2-CZ 3.72Å; W61-F109 AromaticContact NE1-CE2 3.41Å; W61-F109 AromaticContact NE1-CZ 3.85Å; W61-A111 HydrophobicContact CH2-CB 3.53Å; W61-A111 HydrophobicContact CZ2-CB 3.68Å; W61-F114 HydrophobicContact CH2-CB 3.92Å; W61-F114 HydrophobicContact CH2-CD1 4.23Å; W61-F114 HydrophobicContact CH2-CD2 4Å; W61-F114 AromaticContact CH2-CG 3.79Å; W61-F114 HydrophobicContact CH2-CG 3.79Å; W61-F114 HydrophobicContact CZ3-CD1 4.41Å; W61-F114 HydrophobicContact CZ3-CD2 4.09Å; W61-F114 HydrophobicContact CZ3-CE2 4.27Å; W61-F114 HydrophobicContact CZ3-CG 4.17Å; W61-W119 HydrophobicContact CD2-CH2 4.06Å; W61-W119 AromaticContact CE3-CH2 3.82Å; W61-W119 HydrophobicContact CE3-CH2 3.82Å; W61-W119 HydrophobicContact CE3-CZ3 4.3Å; W61-W119 HydrophobicContact CH2-CH2 4.41Å; W61-W119 AromaticContact CZ3-CH2 3.97Å; W61-W119 HydrophobicContact CZ3-CH2 3.97Å; W61-W119 HydrophobicContact CZ3-CZ3 4.49Å; W61-N143 PolarHBondContact O-ND2 2.83Å; W61-L163 HydrophobicContact CE3-CD1 4.09Å; W61-L163 HydrophobicContact CH2-CD1 3.89Å; W61-L163 HydrophobicContact CH2-CD2 3.99Å; W61-L163 HydrophobicContact CH2-CG 4.45Å; W61-L163 HydrophobicContact CZ3-CB 4.06Å; W61-L163 HydrophobicContact CZ3-CD1 3.56Å; W61-L163 HydrophobicContact CZ3-CD2 3.97Å; W61-L163 HydrophobicContact CZ3-CG 4.06Å; W61-P340 HydrophobicContact CB-CG 4.08Å; W61-P340 HydrophobicContact CD2-CB 4.48Å; W61-P340 HydrophobicContact CG-CB 4.12Å; W61-P340 HydrophobicContact CG-CG 3.98Å; W61-T341 PolarHBondContact NE1-O 3.44Å
62G98.3Very high98.2Very high1 Ų112.3 Ų12.31%0.016%0.056CC..SBendtrans174.8-170.2-172.400000110.3F64 S65G62-F64 PolarHBondContact O-N 2.87Å; G62-S65 VanDerWaalsContact O-CB 3.3Å; G62-S65 WeakPolarHBondContact O-CB 3.25Å; G62-S65 PolarHBondContact O-N 2.65Å; G62-S65 PolarHBondContact O-OG 3.39Å
63V98.6Very high98.2Very high0 Ų013.5 Ų13.50%06%0.058CC..G310 helixtrans-64.1-30.4-175.6176.20000111.4S65 V66 P67 Y102 F105 A106 E139 F141 W152V63-S65 PolarHBondContact O-N 3.11Å; V63-V66 VanDerWaalsContact O-CB 3.29Å; V63-V66 WeakPolarHBondContact O-CB 3.17Å; V63-V66 WeakPolarHBondContact O-CG2 3.46Å; V63-V66 PolarHBondContact O-N 3.45Å; V63-P67 VanDerWaalsContact O-CD 3.3Å; V63-P67 WeakPolarHBondContact O-CD 3.48Å; V63-Y102 HydrophobicContact CB-CE1 4.24Å; V63-Y102 HydrophobicContact CG1-CE1 3.93Å; V63-F105 HydrophobicContact CG1-CB 3.41Å; V63-F105 VanDerWaalsContact CG1-CB 3.41Å; V63-A106 HydrophobicContact CG2-CB 4.13Å; V63-E139 PolarHBondContact N-OE1 3.18Å; V63-F141 HydrophobicContact CG2-CB 3.97Å; V63-F141 HydrophobicContact CG2-CD1 3.9Å; V63-F141 HydrophobicContact CG2-CD2 3.51Å; V63-F141 HydrophobicContact CG2-CE1 4.22Å; V63-F141 HydrophobicContact CG2-CE2 3.86Å; V63-F141 HydrophobicContact CG2-CG 3.51Å; V63-F141 HydrophobicContact CG2-CZ 4.19Å; V63-W152 HydrophobicContact CG2-CH2 4.48Å
64F98.3Very high98.2Very high3 Ų313.3 Ų13.31%0.0136%0.056CC..G310 helixtrans-57.5-20.2174.156.7-101000114.1H60 G62 V66 P67 S68 E72 Y102 H137 E139H60-F64 HydrophobicContact CB-CZ 4.32Å; G62-F64 PolarHBondContact O-N 2.87Å; F64-V66 PolarHBondContact O-N 3.05Å; F64-P67 WeakPolarHBondContact O-CD 3.23Å; F64-P67 WeakPolarHBondContact O-CG 3.4Å; F64-S68 PolarHBondContact O-N 3.17Å; F64-E72 HydrophobicContact CB-CB 4.37Å; F64-E72 HydrophobicContact CD1-CB 4.01Å; F64-E72 HydrophobicContact CD2-CB 3.4Å; F64-E72 VanDerWaalsContact CD2-CB 3.4Å; F64-E72 HydrophobicContact CE1-CB 4.13Å; F64-E72 HydrophobicContact CE2-CB 3.54Å; F64-E72 HydrophobicContact CG-CB 3.66Å; F64-E72 HydrophobicContact CZ-CB 3.9Å; F64-Y102 WeakPolarHBondContact CA-OH 3.43Å; F64-Y102 WeakPolarHBondContact CB-OH 3.49Å; F64-Y102 PolarHBondContact N-OH 2.73Å; F64-Y102 VanDerWaalsContact N-OH 3.1Å; F64-H137 AromaticContact CD1-ND1 3.97Å; F64-H137 HydrophobicContact CE1-CB 3.78Å; F64-H137 AromaticContact CE1-CG 3.81Å; F64-H137 AromaticContact CE1-ND1 3.78Å; F64-E139 WeakPolarHBondContact CD1-OE1 3.43Å; F64-E139 PolarHBondContact N-OE2 3.34Å
65S98.4Very high98.2Very high0 Ų015.5 Ų15.50%06%0.064CC..G310 helixtrans-69.7-12.3173.669.50000113.7G62 V63 S68 F109 S342G62-S65 VanDerWaalsContact O-CB 3.3Å; G62-S65 WeakPolarHBondContact O-CB 3.25Å; G62-S65 PolarHBondContact O-N 2.65Å; G62-S65 PolarHBondContact O-OG 3.39Å; V63-S65 PolarHBondContact O-N 3.11Å; S65-S68 WeakPolarHBondContact O-CB 3.08Å; S65-F109 WeakPolarHBondContact OG-CE2 3.43Å; S65-S342 VanDerWaalsContact OG-CA 3.25Å; S65-S342 WeakPolarHBondContact OG-CA 3.28Å
66V98.6Very high98.1Very high13 Ų1319.2 Ų19.28%0.0798%0.078CC..THydrogen-bonded Turntrans-77.1-61.2176177.70000111.3V63 F64 S68 F105 Q108 F109V63-V66 VanDerWaalsContact O-CB 3.29Å; V63-V66 WeakPolarHBondContact O-CB 3.17Å; V63-V66 WeakPolarHBondContact O-CG2 3.46Å; V63-V66 PolarHBondContact O-N 3.45Å; F64-V66 PolarHBondContact O-N 3.05Å; V66-S68 PolarHBondContact O-N 3.45Å; V66-S68 PolarHBondContact O-OG 2.78Å; V66-F105 HydrophobicContact CB-CB 4.24Å; V66-F105 HydrophobicContact CB-CD1 4.24Å; V66-F105 HydrophobicContact CG1-CB 4.21Å; V66-F105 HydrophobicContact CG1-CD1 3.61Å; V66-F105 HydrophobicContact CG1-CE1 4.4Å; V66-F105 HydrophobicContact CG1-CG 4.3Å; V66-Q108 HydrophobicContact CG1-CB 3.62Å; V66-Q108 HydrophobicContact CG2-CB 4.35Å; V66-F109 HydrophobicContact CG2-CB 3.83Å; V66-F109 HydrophobicContact CG2-CD2 4.3Å
67P97.7Very high98.1Very high0 Ų020.6 Ų20.60%09%0.085CC..THydrogen-bonded Turntrans-60.2-28.8174.624.9-33.4000111.3V63 F64 Y69 F74 F105 R307V63-P67 VanDerWaalsContact O-CD 3.3Å; V63-P67 WeakPolarHBondContact O-CD 3.48Å; F64-P67 WeakPolarHBondContact O-CD 3.23Å; F64-P67 WeakPolarHBondContact O-CG 3.4Å; P67-Y69 PolarHBondContact O-N 3.38Å; P67-Y69 VanDerWaalsContact O-N 3.11Å; P67-F74 HydrophobicContact CB-CD1 4.2Å; P67-F74 HydrophobicContact CB-CD2 4.07Å; P67-F74 HydrophobicContact CB-CE1 3.96Å; P67-F74 HydrophobicContact CB-CE2 3.81Å; P67-F74 HydrophobicContact CB-CG 4.24Å; P67-F74 HydrophobicContact CB-CZ 3.74Å; P67-F74 HydrophobicContact CG-CD1 3.92Å; P67-F74 HydrophobicContact CG-CD2 4.23Å; P67-F74 HydrophobicContact CG-CE1 4.13Å; P67-F74 HydrophobicContact CG-CE2 4.42Å; P67-F74 HydrophobicContact CG-CG 3.96Å; P67-F74 HydrophobicContact CG-CZ 4.37Å; P67-F105 HydrophobicContact CB-CE1 4.1Å; P67-F105 HydrophobicContact CB-CE2 4.27Å; P67-F105 HydrophobicContact CB-CZ 3.88Å; P67-F105 HydrophobicContact CG-CD2 4.45Å; P67-F105 HydrophobicContact CG-CE2 4.27Å; P67-F105 HydrophobicContact CG-CZ 4.33Å; P67-R307 PolarHBondContact O-NE 2.98Å; P67-R307 PolarHBondContact O-NH2 3.32Å
68S97.9Very high98Very high8 Ų821.7 Ų21.76%0.0569%0.089CC..  trans46.346.516950.90000112.8F64 S65 V66 F305 R306 R307F64-S68 PolarHBondContact O-N 3.17Å; S65-S68 WeakPolarHBondContact O-CB 3.08Å; V66-S68 PolarHBondContact O-N 3.45Å; V66-S68 PolarHBondContact O-OG 2.78Å; S68-F305 WeakPolarHBondContact CA-O 3.44Å; S68-R306 CarbonylContact O-C 3.6Å; S68-R306 VanDerWaalsContact O-CA 3.31Å; S68-R306 WeakPolarHBondContact O-CA 3.42Å; S68-R307 WeakPolarHBondContact O-CG 3.39Å; S68-R307 PolarHBondContact O-N 3.12Å; S68-R307 PolarHBondContact OG-NE 3.3Å
69Y98Very high97.9Very high45 Ų4525.5 Ų25.518%0.17611%0.107CC..SBendtrans-136.8124.3-172.7-175.7-118.3000110.4P67 T71 F74 E87 I88 Y91 E308P67-Y69 PolarHBondContact O-N 3.38Å; P67-Y69 VanDerWaalsContact O-N 3.11Å; Y69-T71 PolarHBondContact O-N 3.29Å; Y69-F74 HydrophobicContact CD1-CE2 4.13Å; Y69-E87 HydrophobicContact CE1-CG 4.24Å; Y69-I88 HydrophobicContact CD1-CG1 4.1Å; Y69-I88 HydrophobicContact CE1-CG1 4.21Å; Y69-Y91 AromaticContact CD1-CD1 3.9Å; Y69-Y91 HydrophobicContact CD1-CD1 3.9Å; Y69-Y91 HydrophobicContact CD1-CD2 4.16Å; Y69-Y91 HydrophobicContact CD1-CE1 4.48Å; Y69-Y91 AromaticContact CD1-CG 3.74Å; Y69-Y91 HydrophobicContact CD1-CG 3.74Å; Y69-Y91 HydrophobicContact CE1-CD1 4.38Å; Y69-Y91 HydrophobicContact CE1-CD2 4.07Å; Y69-Y91 AromaticContact CE1-CG 3.77Å; Y69-Y91 HydrophobicContact CE1-CG 3.77Å; Y69-Y91 HydrophobicContact CG-CD1 4.39Å; Y69-Y91 HydrophobicContact CG-CD2 4.42Å; Y69-Y91 HydrophobicContact CG-CG 4.35Å; Y69-E308 HydrophobicContact CD2-CG 4.2Å; Y69-E308 HydrophobicContact CE2-CG 4.2Å
70R96.5Very high97.8Very high97 Ų9726.9 Ų26.937%0.36612%0.121SC..SBendtrans63.3-59.3179.2-49.1-65.2-93.7-178.7-7.4116.3M85 E87 I88 S302 R306 E308R70-M85 HydrophobicContact CB-CE 4.28Å; R70-M85 HydrophobicContact CB-SD 3.31Å; R70-M85 WeakPolarHBondContact CB-SD 3.4Å; R70-M85 HydrophobicContact CG-SD 3.62Å; R70-E87 HydrophobicContact CG-CG 4.18Å; R70-E87 IonicContact CZ-OE1 3.7Å; R70-E87 IonicContact NE-OE1 3.73Å; R70-E87 PolarHBondContact NE-OE1 3.31Å; R70-E87 IonicContact NH2-OE1 2.66Å; R70-E87 PolarHBondContact NH2-OE1 3.5Å; R70-I88 HydrophobicContact CB-CD1 4.28Å; R70-I88 HydrophobicContact CB-CG1 4.49Å; R70-I88 HydrophobicContact CG-CG1 4.22Å; R70-S302 WeakPolarHBondContact O-CB 3.21Å; R70-R306 VanDerWaalsContact O-CD 3.23Å; R70-R306 WeakPolarHBondContact O-CD 3.22Å; R70-E308 VanDerWaalsContact CA-OE1 3.32Å; R70-E308 WeakPolarHBondContact CA-OE1 3.42Å; R70-E308 PolarHBondContact N-OE1 3.2Å
71T97.1Very high97.7Very high14 Ų1429.5 Ų29.59%0.08614%0.135CC..  trans-162.8155.6-171.7169.70000112.3Y69 W73 F74 M77 M85 I88 S302Y69-T71 PolarHBondContact O-N 3.29Å; T71-W73 HydrophobicContact CG2-CB 3.95Å; T71-W73 PolarHBondContact O-N 3.22Å; T71-W73 PolarHBondContact OG1-N 3.32Å; T71-F74 WeakPolarHBondContact O-CB 2.92Å; T71-F74 PolarHBondContact O-N 3.37Å; T71-F74 VanDerWaalsContact O-N 3.1Å; T71-M77 HydrophobicContact CG2-CE 4.18Å; T71-M77 HydrophobicContact CG2-SD 3.66Å; T71-M85 HydrophobicContact CG2-CE 4.17Å; T71-M85 HydrophobicContact CG2-SD 4.16Å; T71-I88 HydrophobicContact CG2-CD1 4.38Å; T71-S302 WeakPolarHBondContact CA-OG 3.33Å
72E97.6Very high97.5Very high6 Ų634.4 Ų34.43%0.02816%0.157CC..THydrogen-bonded Turntrans-58.3-17.3164.870.8-63.4151.800114.5F64 F74 S302 W303 G304F64-E72 HydrophobicContact CB-CB 4.37Å; F64-E72 HydrophobicContact CD1-CB 4.01Å; F64-E72 HydrophobicContact CD2-CB 3.4Å; F64-E72 VanDerWaalsContact CD2-CB 3.4Å; F64-E72 HydrophobicContact CE1-CB 4.13Å; F64-E72 HydrophobicContact CE2-CB 3.54Å; F64-E72 HydrophobicContact CG-CB 3.66Å; F64-E72 HydrophobicContact CZ-CB 3.9Å; E72-F74 PolarHBondContact O-N 3.13Å; E72-S302 PolarHBondContact OE2-OG 3.27Å; E72-S302 VanDerWaalsContact OE2-OG 3.13Å; E72-W303 HydrophobicContact CG-CB 4.11Å; E72-W303 VanDerWaalsContact OE1-CD1 3.27Å; E72-W303 WeakPolarHBondContact OE2-CA 3.45Å; E72-W303 WeakPolarHBondContact OE2-CB 3.21Å; E72-W303 PolarHBondContact OE2-N 2.9Å; E72-G304 PolarHBondContact OE2-N 2.85Å
73W97.6Very high97.4Very high84 Ų8440 Ų4032%0.31819%0.191SC..THydrogen-bonded Turntrans-76.39.9170-77.560000113.8T71 W75 W76 M77 W188T71-W73 HydrophobicContact CG2-CB 3.95Å; T71-W73 PolarHBondContact O-N 3.22Å; T71-W73 PolarHBondContact OG1-N 3.32Å; W73-W75 VanDerWaalsContact C-N 3.28Å; W73-W75 PolarHBondContact O-N 3Å; W73-W75 VanDerWaalsContact O-N 3.13Å; W73-W76 HydrophobicContact CE3-CB 4.13Å; W73-W76 AromaticContact CE3-CD1 3.57Å; W73-W76 AromaticContact CE3-CG 3.98Å; W73-W76 HydrophobicContact CE3-CG 3.98Å; W73-W76 AromaticContact CZ3-CD1 3.82Å; W73-W76 HydrophobicContact CZ3-CG 4.27Å; W73-W76 PolarHBondContact O-N 3Å; W73-M77 HydrophobicContact CB-CE 3.89Å; W73-M77 HydrophobicContact CB-CG 4.44Å; W73-M77 HydrophobicContact CB-SD 4.22Å; W73-M77 PolarHBondContact O-N 3.23Å; W73-W188 HydrophobicContact CB-CH2 4.46Å; W73-W188 HydrophobicContact CB-CZ2 4.47Å; W73-W188 AromaticContact CD2-CZ2 3.73Å; W73-W188 HydrophobicContact CD2-CZ2 3.73Å; W73-W188 AromaticContact CE3-CZ2 3.97Å; W73-W188 HydrophobicContact CE3-CZ2 3.97Å; W73-W188 HydrophobicContact CG-CH2 4.3Å; W73-W188 AromaticContact CG-CZ2 3.96Å; W73-W188 HydrophobicContact CG-CZ2 3.96Å
74F98.1Very high97.3Very high0 Ų042.7 Ų42.70%021%0.213CC..Hα-helixtrans-44.2-49.9-177.1-173.2-86.6000113.5P67 Y69 T71 E72 M77 W78 I88 Y91 M92 Y102 F105P67-F74 HydrophobicContact CB-CD1 4.2Å; P67-F74 HydrophobicContact CB-CD2 4.07Å; P67-F74 HydrophobicContact CB-CE1 3.96Å; P67-F74 HydrophobicContact CB-CE2 3.81Å; P67-F74 HydrophobicContact CB-CG 4.24Å; P67-F74 HydrophobicContact CB-CZ 3.74Å; P67-F74 HydrophobicContact CG-CD1 3.92Å; P67-F74 HydrophobicContact CG-CD2 4.23Å; P67-F74 HydrophobicContact CG-CE1 4.13Å; P67-F74 HydrophobicContact CG-CE2 4.42Å; P67-F74 HydrophobicContact CG-CG 3.96Å; P67-F74 HydrophobicContact CG-CZ 4.37Å; Y69-F74 HydrophobicContact CD1-CE2 4.13Å; T71-F74 WeakPolarHBondContact O-CB 2.92Å; T71-F74 PolarHBondContact O-N 3.37Å; T71-F74 VanDerWaalsContact O-N 3.1Å; E72-F74 PolarHBondContact O-N 3.13Å; F74-M77 PolarHBondContact O-N 2.91Å; F74-W78 HydrophobicContact CE1-CD2 4.45Å; F74-W78 AromaticContact CE1-CE3 3.99Å; F74-W78 HydrophobicContact CE1-CE3 3.99Å; F74-W78 VanDerWaalsContact O-CB 3.25Å; F74-W78 WeakPolarHBondContact O-CB 3.46Å; F74-W78 PolarHBondContact O-N 2.93Å; F74-I88 HydrophobicContact CD2-CD1 4.21Å; F74-I88 HydrophobicContact CD2-CG1 4.2Å; F74-I88 HydrophobicContact CD2-CG2 4.01Å; F74-I88 HydrophobicContact CE1-CG2 4.39Å; F74-I88 HydrophobicContact CE2-CG1 4.33Å; F74-I88 HydrophobicContact CE2-CG2 3.83Å; F74-I88 HydrophobicContact CG-CG2 4.38Å; F74-I88 HydrophobicContact CZ-CG2 4.04Å; F74-Y91 HydrophobicContact CE2-CD1 4.17Å; F74-Y91 HydrophobicContact CZ-CD1 4.22Å; F74-M92 HydrophobicContact CE1-CG 4.15Å; F74-M92 HydrophobicContact CE1-SD 3.88Å; F74-M92 HydrophobicContact CZ-CG 3.76Å; F74-M92 HydrophobicContact CZ-SD 3.49Å; F74-M92 WeakPolarHBondContact CZ-SD 3.44Å; F74-Y102 HydrophobicContact CD1-CD2 4.37Å; F74-Y102 AromaticContact CD1-CE2 3.92Å; F74-Y102 HydrophobicContact CD1-CE2 3.92Å; F74-F105 HydrophobicContact CE1-CE2 4.05Å; F74-F105 HydrophobicContact CE1-CZ 4.42Å
75W98.1Very high97.2Very high47 Ų4744.3 Ų44.318%0.17822%0.221CC..Hα-helixtrans-67.4-42.7-176.1-167.812.9000112.5W73 W78 Q79 Y102 E139 W188 F189W73-W75 VanDerWaalsContact C-N 3.28Å; W73-W75 PolarHBondContact O-N 3Å; W73-W75 VanDerWaalsContact O-N 3.13Å; W75-W78 PolarHBondContact O-N 2.77Å; W75-Q79 PolarHBondContact O-N 3.46Å; W75-Y102 HydrophobicContact CB-CD1 4.27Å; W75-Y102 HydrophobicContact CB-CD2 3.69Å; W75-Y102 HydrophobicContact CB-CE1 4.17Å; W75-Y102 HydrophobicContact CB-CE2 3.61Å; W75-Y102 HydrophobicContact CB-CG 4.03Å; W75-Y102 AromaticContact CD1-CD2 3.79Å; W75-Y102 AromaticContact CD1-CG 3.68Å; W75-Y102 AromaticContact CD2-CD1 3.45Å; W75-Y102 HydrophobicContact CD2-CD1 3.45Å; W75-Y102 VanDerWaalsContact CD2-CD1 3.45Å; W75-Y102 HydrophobicContact CD2-CD2 4.15Å; W75-Y102 AromaticContact CD2-CE1 3.98Å; W75-Y102 HydrophobicContact CD2-CE1 3.98Å; W75-Y102 AromaticContact CD2-CG 3.54Å; W75-Y102 HydrophobicContact CD2-CG 3.54Å; W75-Y102 AromaticContact CE2-CD1 3.93Å; W75-Y102 AromaticContact CE2-CG 3.8Å; W75-Y102 AromaticContact CE3-CD1 3.54Å; W75-Y102 HydrophobicContact CE3-CD1 3.54Å; W75-Y102 AromaticContact CE3-CE1 3.78Å; W75-Y102 HydrophobicContact CE3-CE1 3.78Å; W75-Y102 HydrophobicContact CE3-CG 4.13Å; W75-Y102 AromaticContact CG-CD1 3.8Å; W75-Y102 HydrophobicContact CG-CD1 3.8Å; W75-Y102 AromaticContact CG-CD2 3.59Å; W75-Y102 HydrophobicContact CG-CD2 3.59Å; W75-Y102 HydrophobicContact CG-CE1 4.18Å; W75-Y102 HydrophobicContact CG-CE2 4.01Å; W75-Y102 AromaticContact CG-CG 3.48Å; W75-Y102 HydrophobicContact CG-CG 3.48Å; W75-Y102 VanDerWaalsContact CG-CG 3.48Å; W75-Y102 HydrophobicContact CH2-CD1 4.49Å; W75-Y102 HydrophobicContact CZ2-CD1 4.43Å; W75-Y102 HydrophobicContact CZ3-CD1 4.07Å; W75-Y102 HydrophobicContact CZ3-CE1 4.49Å; W75-Y102 AromaticContact NE1-CG 3.87Å; W75-E139 HydrophobicContact CE3-CB 3.76Å; W75-E139 HydrophobicContact CZ3-CB 4.11Å; W75-E139 WeakPolarHBondContact CZ3-O 3.33Å; W75-W188 HydrophobicContact CB-CE3 4.16Å; W75-W188 HydrophobicContact CB-CZ3 3.98Å; W75-W188 HydrophobicContact CE3-CE3 4.22Å; W75-F189 HydrophobicContact CB-CE2 4.42Å; W75-F189 AromaticContact CD1-CE2 3.7Å; W75-F189 AromaticContact CD2-CD2 3.5Å; W75-F189 HydrophobicContact CD2-CD2 3.5Å; W75-F189 AromaticContact CD2-CE2 3.65Å; W75-F189 HydrophobicContact CD2-CE2 3.65Å; W75-F189 AromaticContact CE2-CD2 3.28Å; W75-F189 AromaticContact CE2-CE2 3.67Å; W75-F189 AromaticContact CE3-CD2 3.83Å; W75-F189 HydrophobicContact CE3-CD2 3.83Å; W75-F189 HydrophobicContact CE3-CE2 4.27Å; W75-F189 HydrophobicContact CG-CD2 4.08Å; W75-F189 AromaticContact CG-CE2 3.7Å; W75-F189 HydrophobicContact CG-CE2 3.7Å; W75-F189 HydrophobicContact CH2-CB 4Å; W75-F189 AromaticContact CH2-CD2 3.82Å; W75-F189 HydrophobicContact CH2-CD2 3.82Å; W75-F189 HydrophobicContact CH2-CG 4.37Å; W75-F189 HydrophobicContact CZ2-CB 3.96Å; W75-F189 AromaticContact CZ2-CD2 3.47Å; W75-F189 HydrophobicContact CZ2-CD2 3.47Å; W75-F189 VanDerWaalsContact CZ2-CD2 3.47Å; W75-F189 HydrophobicContact CZ2-CE2 4.31Å; W75-F189 HydrophobicContact CZ2-CG 4.03Å; W75-F189 AromaticContact CZ3-CD2 3.98Å; W75-F189 HydrophobicContact CZ3-CD2 3.98Å; W75-F189 AromaticContact NE1-CD2 3.7Å; W75-F189 AromaticContact NE1-CE2 3.65Å
76W98Very high97.1Very high78 Ų7848 Ų4830%0.29525%0.245SC..Hα-helixtrans-61.2-45.6176.1179-106.2000111.7W73 W78 G80 D81 W188 F189W73-W76 HydrophobicContact CE3-CB 4.13Å; W73-W76 AromaticContact CE3-CD1 3.57Å; W73-W76 AromaticContact CE3-CG 3.98Å; W73-W76 HydrophobicContact CE3-CG 3.98Å; W73-W76 AromaticContact CZ3-CD1 3.82Å; W73-W76 HydrophobicContact CZ3-CG 4.27Å; W73-W76 PolarHBondContact O-N 3Å; W76-W78 VanDerWaalsContact C-N 3.26Å; W76-W78 PolarHBondContact O-N 3.03Å; W76-G80 CarbonylContact O-C 3.47Å; W76-G80 WeakPolarHBondContact O-CA 3.38Å; W76-G80 PolarHBondContact O-N 2.98Å; W76-D81 HydrophobicContact CZ2-CB 4.4Å; W76-D81 PolarHBondContact O-N 3.31Å; W76-D81 VanDerWaalsContact O-N 3.1Å; W76-W188 HydrophobicContact CB-CD2 3.8Å; W76-W188 HydrophobicContact CB-CE3 4.1Å; W76-W188 HydrophobicContact CB-CG 4.3Å; W76-W188 HydrophobicContact CB-CH2 4.25Å; W76-W188 HydrophobicContact CB-CZ2 3.92Å; W76-W188 HydrophobicContact CB-CZ3 4.32Å; W76-W188 HydrophobicContact CD2-CG 4.4Å; W76-W188 HydrophobicContact CE3-CB 3.91Å; W76-W188 AromaticContact CE3-CD1 3.72Å; W76-W188 HydrophobicContact CE3-CD2 4.49Å; W76-W188 AromaticContact CE3-CG 3.8Å; W76-W188 HydrophobicContact CE3-CG 3.8Å; W76-W188 HydrophobicContact CZ3-CB 4.39Å; W76-F189 HydrophobicContact CE3-CE1 4.17Å; W76-F189 HydrophobicContact CE3-CE2 4.39Å; W76-F189 AromaticContact CE3-CZ 3.75Å; W76-F189 HydrophobicContact CE3-CZ 3.75Å; W76-F189 HydrophobicContact CZ3-CE1 4.15Å; W76-F189 HydrophobicContact CZ3-CZ 4.21Å
77M97.9Very high97.1Very high28 Ų2849.9 Ų49.914%0.13825%0.253CS..Hα-helixtrans-74.7-17-179.6-65.7175.317900113.1T71 W73 F74 D81 K82 A84 M85 I88T71-M77 HydrophobicContact CG2-CE 4.18Å; T71-M77 HydrophobicContact CG2-SD 3.66Å; W73-M77 HydrophobicContact CB-CE 3.89Å; W73-M77 HydrophobicContact CB-CG 4.44Å; W73-M77 HydrophobicContact CB-SD 4.22Å; W73-M77 PolarHBondContact O-N 3.23Å; F74-M77 PolarHBondContact O-N 2.91Å; M77-D81 WeakPolarHBondContact CA-O 3.25Å; M77-K82 WeakPolarHBondContact O-CA 3.4Å; M77-A84 HydrophobicContact CG-CB 4.42Å; M77-M85 HydrophobicContact CB-CB 4.14Å; M77-M85 HydrophobicContact CE-CE 4.27Å; M77-M85 HydrophobicContact CG-CB 4.16Å; M77-M85 HydrophobicContact SD-CB 3.5Å; M77-M85 WeakPolarHBondContact SD-CB 3.26Å; M77-M85 HydrophobicContact SD-CE 3.79Å; M77-M85 HydrophobicContact SD-CG 4.2Å; M77-M85 HydrophobicContact SD-SD 3.8Å; M77-I88 HydrophobicContact CB-CD1 3.7Å; M77-I88 HydrophobicContact CG-CD1 4.45Å; M77-I88 HydrophobicContact SD-CD1 3.95Å
78W97.5Very high97.1Very high23 Ų2349.9 Ų49.99%0.08725%0.253CS..Hα-helixtrans-84.2-44.3173.618025.8000112.9F74 W75 W76 K82 I88 M92 F100 Y102 F105F74-W78 HydrophobicContact CE1-CD2 4.45Å; F74-W78 AromaticContact CE1-CE3 3.99Å; F74-W78 HydrophobicContact CE1-CE3 3.99Å; F74-W78 VanDerWaalsContact O-CB 3.25Å; F74-W78 WeakPolarHBondContact O-CB 3.46Å; F74-W78 PolarHBondContact O-N 2.93Å; W75-W78 PolarHBondContact O-N 2.77Å; W76-W78 VanDerWaalsContact C-N 3.26Å; W76-W78 PolarHBondContact O-N 3.03Å; W78-K82 WeakPolarHBondContact O-CE 3.44Å; W78-K82 WeakPolarHBondContact O-CG 3.29Å; W78-I88 HydrophobicContact CB-CG2 3.67Å; W78-I88 HydrophobicContact CG-CG2 4.4Å; W78-M92 HydrophobicContact CD2-CE 4.34Å; W78-M92 HydrophobicContact CD2-CG 3.81Å; W78-M92 HydrophobicContact CE3-CE 4.26Å; W78-M92 HydrophobicContact CE3-CG 4.42Å; W78-M92 HydrophobicContact CG-CG 4.01Å; W78-M92 HydrophobicContact CH2-CE 3.39Å; W78-M92 HydrophobicContact CZ2-CB 4.3Å; W78-M92 HydrophobicContact CZ2-CE 3.46Å; W78-M92 VanDerWaalsContact CZ2-CE 3.46Å; W78-M92 HydrophobicContact CZ2-CG 4.16Å; W78-M92 HydrophobicContact CZ3-CE 3.8Å; W78-F100 HydrophobicContact CH2-CD1 4.1Å; W78-F100 WeakPolarHBondContact CH2-O 3.07Å; W78-F100 WeakPolarHBondContact CZ2-O 3.25Å; W78-Y102 HydrophobicContact CE3-CD2 4.2Å; W78-Y102 HydrophobicContact CZ3-CD2 4.12Å; W78-F105 HydrophobicContact CZ3-CE2 4.26Å
79Q96.5Very high97Very high82 Ų8251 Ų5138%0.38326%0.26SS..Hα-helixtrans-113.9-27.1-170.3-65.8-63.4-17.100114.5W75 F189W75-Q79 PolarHBondContact O-N 3.46Å; Q79-F189 HydrophobicContact CB-CE1 4.25Å; Q79-F189 HydrophobicContact CB-CE2 4.37Å; Q79-F189 HydrophobicContact CB-CZ 3.83Å
80G95.9Very high97Very high29 Ų2952.5 Ų52.530%0.29927%0.269SS..SBendtrans-89.6-106.3175.100000110.9W76 K82W76-G80 CarbonylContact O-C 3.47Å; W76-G80 WeakPolarHBondContact O-CA 3.38Å; W76-G80 PolarHBondContact O-N 2.98Å; G80-K82 PolarHBondContact O-N 2.89Å; G80-K82 VanDerWaalsContact O-N 3.1Å
81D96.5Very high97.1Very high61 Ų6149.3 Ų49.333%0.32626%0.257SS..  trans-80.890.1178-174.60.8000112.2W76 M77 T83 A84W76-D81 HydrophobicContact CZ2-CB 4.4Å; W76-D81 PolarHBondContact O-N 3.31Å; W76-D81 VanDerWaalsContact O-N 3.1Å; M77-D81 WeakPolarHBondContact CA-O 3.25Å; D81-T83 PolarHBondContact O-N 2.68Å; D81-T83 WeakPolarHBondContact OD1-CA 3.35Å; D81-T83 WeakPolarHBondContact OD1-CB 3.4Å; D81-T83 PolarHBondContact OD1-N 2.85Å; D81-T83 PolarHBondContact OD1-OG1 3.22Å; D81-A84 HydrophobicContact CB-CB 4.4Å; D81-A84 PolarHBondContact OD1-N 2.79Å
82K94.7Very high97.1Very high104 Ų10449 Ų4945%0.45226%0.255SS..THydrogen-bonded Turntrans-69.9-14.1177.4-56.7-174.7-169.4-1720113.8M77 W78 G80 P89M77-K82 WeakPolarHBondContact O-CA 3.4Å; W78-K82 WeakPolarHBondContact O-CE 3.44Å; W78-K82 WeakPolarHBondContact O-CG 3.29Å; G80-K82 PolarHBondContact O-N 2.89Å; G80-K82 VanDerWaalsContact O-N 3.1Å; K82-P89 HydrophobicContact CB-CG 3.99Å; K82-P89 HydrophobicContact CG-CG 4.2Å
83T96.4Very high97Very high118 Ų11856.8 Ų56.872%0.72428%0.284SS*.THydrogen-bonded Turntrans-88.3-24.8-176.569.60000112.5D81 M85D81-T83 PolarHBondContact O-N 2.68Å; D81-T83 WeakPolarHBondContact OD1-CA 3.35Å; D81-T83 WeakPolarHBondContact OD1-CB 3.4Å; D81-T83 PolarHBondContact OD1-N 2.85Å; D81-T83 PolarHBondContact OD1-OG1 3.22Å; T83-M85 VanDerWaalsContact C-N 3.27Å; T83-M85 PolarHBondContact O-N 3.34Å
84A95.7Very high97Very high56 Ų5660.5 Ų60.546%0.46330%0.298SS..SBendtrans-60.4-36.4176.700000112.8M77 D81M77-A84 HydrophobicContact CG-CB 4.42Å; D81-A84 HydrophobicContact CB-CB 4.4Å; D81-A84 PolarHBondContact OD1-N 2.79Å
85M96Very high97Very high37 Ų3767.3 Ų67.318%0.18232%0.324CS..  trans-149.675.5-177.6-163.4171.5-72.500112R70 T71 M77 T83 E87 I88 P89R70-M85 HydrophobicContact CB-CE 4.28Å; R70-M85 HydrophobicContact CB-SD 3.31Å; R70-M85 WeakPolarHBondContact CB-SD 3.4Å; R70-M85 HydrophobicContact CG-SD 3.62Å; T71-M85 HydrophobicContact CG2-CE 4.17Å; T71-M85 HydrophobicContact CG2-SD 4.16Å; M77-M85 HydrophobicContact CB-CB 4.14Å; M77-M85 HydrophobicContact CE-CE 4.27Å; M77-M85 HydrophobicContact CG-CB 4.16Å; M77-M85 HydrophobicContact SD-CB 3.5Å; M77-M85 WeakPolarHBondContact SD-CB 3.26Å; M77-M85 HydrophobicContact SD-CE 3.79Å; M77-M85 HydrophobicContact SD-CG 4.2Å; M77-M85 HydrophobicContact SD-SD 3.8Å; T83-M85 VanDerWaalsContact C-N 3.27Å; T83-M85 PolarHBondContact O-N 3.34Å; M85-E87 HydrophobicContact CG-CG 3.8Å; M85-E87 WeakPolarHBondContact CG-OE1 3.5Å; M85-E87 WeakPolarHBondContact CG-OE2 3.03Å; M85-E87 PolarHBondContact O-N 3.49Å; M85-E87 HydrophobicContact SD-CG 4.5Å; M85-I88 HydrophobicContact CB-CD1 4.14Å; M85-I88 HydrophobicContact CG-CD1 3.92Å; M85-I88 HydrophobicContact CG-CG1 4.11Å; M85-I88 PolarHBondContact O-N 3.3Å; M85-I88 HydrophobicContact SD-CD1 3.4Å; M85-I88 WeakPolarHBondContact SD-CD1 3.22Å; M85-I88 HydrophobicContact SD-CG1 3.95Å; M85-P89 VanDerWaalsContact O-CD 3.27Å; M85-P89 WeakPolarHBondContact O-CD 3.4Å
86P97.4Very high96.9Very high79 Ų7967.3 Ų67.351%0.51333%0.325SS..THydrogen-bonded Turntrans-60.1-21.6-171.5-24.435.3000115I88 P89 E90P86-I88 PolarHBondContact O-N 2.96Å; P86-P89 WeakPolarHBondContact O-CD 3.24Å; P86-E90 PolarHBondContact O-N 3.31Å
87E97Very high96.8Very high52 Ų5270 Ų7024%0.24334%0.341CS..Hα-helixtrans-66-22.5175.364.6-90.3-149.400113.8Y69 R70 M85 Y91Y69-E87 HydrophobicContact CE1-CG 4.24Å; R70-E87 HydrophobicContact CG-CG 4.18Å; R70-E87 IonicContact CZ-OE1 3.7Å; R70-E87 IonicContact NE-OE1 3.73Å; R70-E87 PolarHBondContact NE-OE1 3.31Å; R70-E87 IonicContact NH2-OE1 2.66Å; R70-E87 PolarHBondContact NH2-OE1 3.5Å; M85-E87 HydrophobicContact CG-CG 3.8Å; M85-E87 WeakPolarHBondContact CG-OE1 3.5Å; M85-E87 WeakPolarHBondContact CG-OE2 3.03Å; M85-E87 PolarHBondContact O-N 3.49Å; M85-E87 HydrophobicContact SD-CG 4.5Å; E87-Y91 WeakPolarHBondContact O-CB 3.48Å; E87-Y91 PolarHBondContact O-N 3.03Å
88I97.8Very high96.6Very high0 Ų075.1 Ų75.10%038%0.376CS..Hα-helixtrans-72.9-52.8177.5-74.6170.8000110.8Y69 R70 T71 F74 M77 W78 M85 P86 E90 Y91 M92Y69-I88 HydrophobicContact CD1-CG1 4.1Å; Y69-I88 HydrophobicContact CE1-CG1 4.21Å; R70-I88 HydrophobicContact CB-CD1 4.28Å; R70-I88 HydrophobicContact CB-CG1 4.49Å; R70-I88 HydrophobicContact CG-CG1 4.22Å; T71-I88 HydrophobicContact CG2-CD1 4.38Å; F74-I88 HydrophobicContact CD2-CD1 4.21Å; F74-I88 HydrophobicContact CD2-CG1 4.2Å; F74-I88 HydrophobicContact CD2-CG2 4.01Å; F74-I88 HydrophobicContact CE1-CG2 4.39Å; F74-I88 HydrophobicContact CE2-CG1 4.33Å; F74-I88 HydrophobicContact CE2-CG2 3.83Å; F74-I88 HydrophobicContact CG-CG2 4.38Å; F74-I88 HydrophobicContact CZ-CG2 4.04Å; M77-I88 HydrophobicContact CB-CD1 3.7Å; M77-I88 HydrophobicContact CG-CD1 4.45Å; M77-I88 HydrophobicContact SD-CD1 3.95Å; W78-I88 HydrophobicContact CB-CG2 3.67Å; W78-I88 HydrophobicContact CG-CG2 4.4Å; M85-I88 HydrophobicContact CB-CD1 4.14Å; M85-I88 HydrophobicContact CG-CD1 3.92Å; M85-I88 HydrophobicContact CG-CG1 4.11Å; M85-I88 PolarHBondContact O-N 3.3Å; M85-I88 HydrophobicContact SD-CD1 3.4Å; M85-I88 WeakPolarHBondContact SD-CD1 3.22Å; M85-I88 HydrophobicContact SD-CG1 3.95Å; P86-I88 PolarHBondContact O-N 2.96Å; I88-E90 VanDerWaalsContact C-N 3.27Å; I88-E90 PolarHBondContact O-N 2.97Å; I88-Y91 WeakPolarHBondContact O-CB 3.48Å; I88-Y91 PolarHBondContact O-N 2.93Å; I88-M92 PolarHBondContact O-N 3.22Å
89P97.6Very high96.4Very high32 Ų3280.5 Ų80.521%0.20841%0.406CS..Hα-helixtrans-55.8-40.4171.5-27.433.5000113.3K82 M85 P86 M92 R93K82-P89 HydrophobicContact CB-CG 3.99Å; K82-P89 HydrophobicContact CG-CG 4.2Å; M85-P89 VanDerWaalsContact O-CD 3.27Å; M85-P89 WeakPolarHBondContact O-CD 3.4Å; P86-P89 WeakPolarHBondContact O-CD 3.24Å; P89-M92 PolarHBondContact O-N 2.96Å; P89-R93 WeakPolarHBondContact O-CB 3.14Å; P89-R93 PolarHBondContact O-N 3.05Å
90E97.5Very high96.4Very high75 Ų7578.2 Ų78.235%0.3540%0.395SS..Hα-helixtrans-67.1-40.5177.5177.256.4-162.500112.2P86 I88 M92 R93 R94P86-E90 PolarHBondContact O-N 3.31Å; I88-E90 VanDerWaalsContact C-N 3.27Å; I88-E90 PolarHBondContact O-N 2.97Å; E90-M92 VanDerWaalsContact C-N 3.34Å; E90-M92 PolarHBondContact O-N 3.13Å; E90-R93 PolarHBondContact O-N 3.01Å; E90-R93 IonicContact OE1-CZ 3.23Å; E90-R93 IonicContact OE1-NE 3.42Å; E90-R93 IonicContact OE1-NH2 3.01Å; E90-R93 PolarHBondContact OE1-NH2 2.62Å; E90-R93 IonicContact OE2-CZ 3.44Å; E90-R93 IonicContact OE2-NE 3.6Å; E90-R93 PolarHBondContact OE2-NE 2.81Å; E90-R93 IonicContact OE2-NH2 3.27Å; E90-R93 PolarHBondContact OE2-NH2 3.06Å; E90-R94 WeakPolarHBondContact O-CB 3.3Å; E90-R94 PolarHBondContact O-N 3.3Å
91Y97.4Very high96.4Very high31 Ų3178.9 Ų78.912%0.12240%0.398CS..Hα-helixtrans-57.8-47.9173176.3-98.3000110.9Y69 F74 E87 I88 R93 R94 Y95 Y96 R307Y69-Y91 AromaticContact CD1-CD1 3.9Å; Y69-Y91 HydrophobicContact CD1-CD1 3.9Å; Y69-Y91 HydrophobicContact CD1-CD2 4.16Å; Y69-Y91 HydrophobicContact CD1-CE1 4.48Å; Y69-Y91 AromaticContact CD1-CG 3.74Å; Y69-Y91 HydrophobicContact CD1-CG 3.74Å; Y69-Y91 HydrophobicContact CE1-CD1 4.38Å; Y69-Y91 HydrophobicContact CE1-CD2 4.07Å; Y69-Y91 AromaticContact CE1-CG 3.77Å; Y69-Y91 HydrophobicContact CE1-CG 3.77Å; Y69-Y91 HydrophobicContact CG-CD1 4.39Å; Y69-Y91 HydrophobicContact CG-CD2 4.42Å; Y69-Y91 HydrophobicContact CG-CG 4.35Å; F74-Y91 HydrophobicContact CE2-CD1 4.17Å; F74-Y91 HydrophobicContact CZ-CD1 4.22Å; E87-Y91 WeakPolarHBondContact O-CB 3.48Å; E87-Y91 PolarHBondContact O-N 3.03Å; I88-Y91 WeakPolarHBondContact O-CB 3.48Å; I88-Y91 PolarHBondContact O-N 2.93Å; Y91-R93 PolarHBondContact O-N 2.5Å; Y91-R94 PolarHBondContact O-N 3.1Å; Y91-Y95 AromaticContact CD2-CD2 3.36Å; Y91-Y95 HydrophobicContact CD2-CD2 3.36Å; Y91-Y95 AromaticContact CD2-CE2 3.61Å; Y91-Y95 HydrophobicContact CD2-CE2 3.61Å; Y91-Y95 AromaticContact CE2-CD2 3.36Å; Y91-Y95 HydrophobicContact CE2-CD2 3.36Å; Y91-Y95 AromaticContact CE2-CE2 3.76Å; Y91-Y95 HydrophobicContact CE2-CE2 3.76Å; Y91-Y95 HydrophobicContact CE2-CG 4.19Å; Y91-Y95 HydrophobicContact CG-CD2 4.07Å; Y91-Y95 VanDerWaalsContact O-CD2 3.25Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.35Å; Y91-Y95 PolarHBondContact O-N 3.08Å; Y91-Y96 HydrophobicContact CD1-CE2 4.22Å; Y91-Y96 HydrophobicContact CE1-CD2 4.3Å; Y91-Y96 AromaticContact CE1-CE2 3.46Å; Y91-Y96 HydrophobicContact CE1-CE2 3.46Å; Y91-Y96 VanDerWaalsContact CE1-CE2 3.46Å; Y91-Y96 AromaticContact CZ-CE2 3.91Å; Y91-R307 PolarHBondContact OH-NH2 3.18Å
92M97.5Very high96.5Very high7 Ų776.2 Ų76.23%0.03438%0.383CS..Hα-helixtrans-62.1-44.8176.5-70.4-55.8-69.400112.1F74 W78 I88 P89 E90 R94 Y96 F100 F105F74-M92 HydrophobicContact CE1-CG 4.15Å; F74-M92 HydrophobicContact CE1-SD 3.88Å; F74-M92 HydrophobicContact CZ-CG 3.76Å; F74-M92 HydrophobicContact CZ-SD 3.49Å; F74-M92 WeakPolarHBondContact CZ-SD 3.44Å; W78-M92 HydrophobicContact CD2-CE 4.34Å; W78-M92 HydrophobicContact CD2-CG 3.81Å; W78-M92 HydrophobicContact CE3-CE 4.26Å; W78-M92 HydrophobicContact CE3-CG 4.42Å; W78-M92 HydrophobicContact CG-CG 4.01Å; W78-M92 HydrophobicContact CH2-CE 3.39Å; W78-M92 HydrophobicContact CZ2-CB 4.3Å; W78-M92 HydrophobicContact CZ2-CE 3.46Å; W78-M92 VanDerWaalsContact CZ2-CE 3.46Å; W78-M92 HydrophobicContact CZ2-CG 4.16Å; W78-M92 HydrophobicContact CZ3-CE 3.8Å; I88-M92 PolarHBondContact O-N 3.22Å; P89-M92 PolarHBondContact O-N 2.96Å; E90-M92 VanDerWaalsContact C-N 3.34Å; E90-M92 PolarHBondContact O-N 3.13Å; M92-R94 VanDerWaalsContact C-N 3.28Å; M92-R94 PolarHBondContact O-N 3.24Å; M92-Y96 HydrophobicContact CE-CD1 3.89Å; M92-Y96 HydrophobicContact CE-CD2 3.77Å; M92-Y96 HydrophobicContact CE-CE1 4.5Å; M92-Y96 HydrophobicContact CE-CE2 4.4Å; M92-Y96 HydrophobicContact CE-CG 3.48Å; M92-Y96 VanDerWaalsContact CE-CG 3.48Å; M92-Y96 WeakPolarHBondContact O-CA 3.4Å; M92-Y96 WeakPolarHBondContact O-CB 3.27Å; M92-Y96 PolarHBondContact O-N 2.86Å; M92-Y96 HydrophobicContact SD-CD1 4.44Å; M92-Y96 HydrophobicContact SD-CD2 3.39Å; M92-Y96 WeakPolarHBondContact SD-CD2 3.25Å; M92-Y96 HydrophobicContact SD-CE2 3.72Å; M92-Y96 HydrophobicContact SD-CG 3.8Å; M92-F100 HydrophobicContact CE-CD1 3.7Å; M92-F100 HydrophobicContact CE-CE1 4.29Å; M92-F100 HydrophobicContact CE-CG 4.37Å; M92-F105 HydrophobicContact CE-CE2 4.15Å; M92-F105 HydrophobicContact CE-CZ 3.87Å; M92-F105 HydrophobicContact SD-CZ 4.08Å
93R96.7Very high96.6Very high170 Ų17073.7 Ų73.764%0.64238%0.381SS*.Hα-helixtrans-61-34.6178.1-168.2-165.567.974.2-0.4113.1P89 E90 Y91P89-R93 WeakPolarHBondContact O-CB 3.14Å; P89-R93 PolarHBondContact O-N 3.05Å; E90-R93 PolarHBondContact O-N 3.01Å; E90-R93 IonicContact OE1-CZ 3.23Å; E90-R93 IonicContact OE1-NE 3.42Å; E90-R93 IonicContact OE1-NH2 3.01Å; E90-R93 PolarHBondContact OE1-NH2 2.62Å; E90-R93 IonicContact OE2-CZ 3.44Å; E90-R93 IonicContact OE2-NE 3.6Å; E90-R93 PolarHBondContact OE2-NE 2.81Å; E90-R93 IonicContact OE2-NH2 3.27Å; E90-R93 PolarHBondContact OE2-NH2 3.06Å; Y91-R93 PolarHBondContact O-N 2.5Å
94R97.5Very high96.6Very high162 Ų16271.3 Ų71.361%0.61137%0.365SS*.Hα-helixtrans-83.6-35.5-176.2177.8173.7-98170.9-5.5113.2E90 Y91 M92E90-R94 WeakPolarHBondContact O-CB 3.3Å; E90-R94 PolarHBondContact O-N 3.3Å; Y91-R94 PolarHBondContact O-N 3.1Å; M92-R94 VanDerWaalsContact C-N 3.28Å; M92-R94 PolarHBondContact O-N 3.24Å
95Y96.8Very high96.7Very high143 Ų14368.7 Ų68.756%0.56134%0.343SS*.Hα-helixtrans-116.6-7.3-167.3-59.5-69.4000114.8Y91Y91-Y95 AromaticContact CD2-CD2 3.36Å; Y91-Y95 HydrophobicContact CD2-CD2 3.36Å; Y91-Y95 AromaticContact CD2-CE2 3.61Å; Y91-Y95 HydrophobicContact CD2-CE2 3.61Å; Y91-Y95 AromaticContact CE2-CD2 3.36Å; Y91-Y95 HydrophobicContact CE2-CD2 3.36Å; Y91-Y95 AromaticContact CE2-CE2 3.76Å; Y91-Y95 HydrophobicContact CE2-CE2 3.76Å; Y91-Y95 HydrophobicContact CE2-CG 4.19Å; Y91-Y95 HydrophobicContact CG-CD2 4.07Å; Y91-Y95 VanDerWaalsContact O-CD2 3.25Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.35Å; Y91-Y95 PolarHBondContact O-N 3.08Å
96Y96.7Very high96.8Very high47 Ų4766.9 Ų66.918%0.18433%0.334CS..SBendtrans-126.8155.9-179-66.3-98.4000111.3Y91 M92 F100 F105Y91-Y96 HydrophobicContact CD1-CE2 4.22Å; Y91-Y96 HydrophobicContact CE1-CD2 4.3Å; Y91-Y96 AromaticContact CE1-CE2 3.46Å; Y91-Y96 HydrophobicContact CE1-CE2 3.46Å; Y91-Y96 VanDerWaalsContact CE1-CE2 3.46Å; Y91-Y96 AromaticContact CZ-CE2 3.91Å; M92-Y96 HydrophobicContact CE-CD1 3.89Å; M92-Y96 HydrophobicContact CE-CD2 3.77Å; M92-Y96 HydrophobicContact CE-CE1 4.5Å; M92-Y96 HydrophobicContact CE-CE2 4.4Å; M92-Y96 HydrophobicContact CE-CG 3.48Å; M92-Y96 VanDerWaalsContact CE-CG 3.48Å; M92-Y96 WeakPolarHBondContact O-CA 3.4Å; M92-Y96 WeakPolarHBondContact O-CB 3.27Å; M92-Y96 PolarHBondContact O-N 2.86Å; M92-Y96 HydrophobicContact SD-CD1 4.44Å; M92-Y96 HydrophobicContact SD-CD2 3.39Å; M92-Y96 WeakPolarHBondContact SD-CD2 3.25Å; M92-Y96 HydrophobicContact SD-CE2 3.72Å; M92-Y96 HydrophobicContact SD-CG 3.8Å; Y96-F100 AromaticContact CD1-CD1 3.99Å; Y96-F100 HydrophobicContact CD1-CD1 3.99Å; Y96-F100 AromaticContact CD1-CD2 3.88Å; Y96-F100 HydrophobicContact CD1-CD2 3.88Å; Y96-F100 AromaticContact CD1-CE1 3.95Å; Y96-F100 HydrophobicContact CD1-CE1 3.95Å; Y96-F100 AromaticContact CD1-CE2 3.82Å; Y96-F100 HydrophobicContact CD1-CE2 3.82Å; Y96-F100 AromaticContact CD1-CG 3.97Å; Y96-F100 HydrophobicContact CD1-CG 3.97Å; Y96-F100 AromaticContact CD1-CZ 3.85Å; Y96-F100 HydrophobicContact CD1-CZ 3.85Å; Y96-F100 HydrophobicContact CE1-CE1 4.22Å; Y96-F100 HydrophobicContact CE1-CE2 4.29Å; Y96-F100 AromaticContact CE1-CZ 4Å; Y96-F100 HydrophobicContact CE1-CZ 4Å; Y96-F105 HydrophobicContact CD1-CE1 4.3Å; Y96-F105 HydrophobicContact CD1-CZ 4.27Å; Y96-F105 AromaticContact CE1-CE1 3.41Å; Y96-F105 HydrophobicContact CE1-CE1 3.41Å; Y96-F105 VanDerWaalsContact CE1-CE1 3.41Å; Y96-F105 AromaticContact CE1-CZ 3.69Å; Y96-F105 HydrophobicContact CE1-CZ 3.69Å; Y96-F105 AromaticContact CZ-CE1 3.73Å; Y96-F105 AromaticContact CZ-CZ 3.89Å
97E95.3Very high96.7Very high135 Ų13570.1 Ų70.163%0.63134%0.34SS*.  trans-63.2148.1177.6-61.6-60.4155.500111.4D99 F100E97-D99 WeakPolarHBondContact CB-OD1 3.28Å; E97-D99 PolarHBondContact O-N 2.98Å; E97-D99 VanDerWaalsContact O-N 3.14Å; E97-F100 WeakPolarHBondContact O-CB 3.39Å; E97-F100 PolarHBondContact O-N 3Å
98P93.6Very high96.7Very high134 Ų13471.4 Ų71.487%0.8735%0.346SS*.THydrogen-bonded Turntrans-58.9-26.3-177.5-26.135.1000115.3
99D93.9Very high96.8Very high136 Ų13671.4 Ų71.473%0.72735%0.346SS*.THydrogen-bonded Turntrans-98.88.6179.967.9-24.3000113.2E97 A101E97-D99 WeakPolarHBondContact CB-OD1 3.28Å; E97-D99 PolarHBondContact O-N 2.98Å; E97-D99 VanDerWaalsContact O-N 3.14Å; D99-A101 PolarHBondContact O-N 3.26Å
100F97Very high96.8Very high34 Ų3474.2 Ų74.215%0.14936%0.356CS..  trans-62127.4178.7-160.5-86.8000110.4W78 M92 Y96 E97 N104 F105W78-F100 HydrophobicContact CH2-CD1 4.1Å; W78-F100 WeakPolarHBondContact CH2-O 3.07Å; W78-F100 WeakPolarHBondContact CZ2-O 3.25Å; M92-F100 HydrophobicContact CE-CD1 3.7Å; M92-F100 HydrophobicContact CE-CE1 4.29Å; M92-F100 HydrophobicContact CE-CG 4.37Å; Y96-F100 AromaticContact CD1-CD1 3.99Å; Y96-F100 HydrophobicContact CD1-CD1 3.99Å; Y96-F100 AromaticContact CD1-CD2 3.88Å; Y96-F100 HydrophobicContact CD1-CD2 3.88Å; Y96-F100 AromaticContact CD1-CE1 3.95Å; Y96-F100 HydrophobicContact CD1-CE1 3.95Å; Y96-F100 AromaticContact CD1-CE2 3.82Å; Y96-F100 HydrophobicContact CD1-CE2 3.82Å; Y96-F100 AromaticContact CD1-CG 3.97Å; Y96-F100 HydrophobicContact CD1-CG 3.97Å; Y96-F100 AromaticContact CD1-CZ 3.85Å; Y96-F100 HydrophobicContact CD1-CZ 3.85Å; Y96-F100 HydrophobicContact CE1-CE1 4.22Å; Y96-F100 HydrophobicContact CE1-CE2 4.29Å; Y96-F100 AromaticContact CE1-CZ 4Å; Y96-F100 HydrophobicContact CE1-CZ 4Å; E97-F100 WeakPolarHBondContact O-CB 3.39Å; E97-F100 PolarHBondContact O-N 3Å; F100-N104 HydrophobicContact CD1-CB 4.32Å; F100-N104 HydrophobicContact CD2-CB 4.29Å; F100-N104 HydrophobicContact CE1-CB 3.78Å; F100-N104 HydrophobicContact CE2-CB 3.76Å; F100-N104 HydrophobicContact CZ-CB 3.48Å; F100-N104 VanDerWaalsContact CZ-CB 3.48Å; F100-F105 HydrophobicContact CD1-CE2 4.29Å; F100-F105 HydrophobicContact CD1-CZ 4.24Å; F100-F105 AromaticContact CE1-CD1 3.87Å; F100-F105 HydrophobicContact CE1-CD1 3.87Å; F100-F105 AromaticContact CE1-CD2 3.86Å; F100-F105 HydrophobicContact CE1-CD2 3.86Å; F100-F105 AromaticContact CE1-CE1 3.62Å; F100-F105 HydrophobicContact CE1-CE1 3.62Å; F100-F105 AromaticContact CE1-CE2 3.59Å; F100-F105 HydrophobicContact CE1-CE2 3.59Å; F100-F105 AromaticContact CE1-CG 3.99Å; F100-F105 HydrophobicContact CE1-CG 3.99Å; F100-F105 AromaticContact CE1-CZ 3.46Å; F100-F105 HydrophobicContact CE1-CZ 3.46Å; F100-F105 VanDerWaalsContact CE1-CZ 3.46Å; F100-F105 AromaticContact CZ-CD1 3.9Å; F100-F105 HydrophobicContact CZ-CD1 3.9Å; F100-F105 AromaticContact CZ-CE1 3.8Å; F100-F105 HydrophobicContact CZ-CE1 3.8Å; F100-F105 HydrophobicContact CZ-CG 4.33Å; F100-F105 HydrophobicContact CZ-CZ 4.13Å
101A96.5Very high96.8Very high44 Ų4470.9 Ų70.936%0.36434%0.341SS..  trans-106.3152.4175.200000110.6D99 A103 N104D99-A101 PolarHBondContact O-N 3.26Å; A101-A103 PolarHBondContact O-N 2.74Å; A101-N104 WeakPolarHBondContact O-CB 3.49Å; A101-N104 PolarHBondContact O-N 3.24Å
102Y97.4Very high96.8Very high5 Ų574.1 Ų74.12%0.0236%0.357CS..G310 helixtrans-57.9-34179.1-167.3-100.5000112.8V63 F64 F74 W75 W78 N104 F105 E139 W152V63-Y102 HydrophobicContact CB-CE1 4.24Å; V63-Y102 HydrophobicContact CG1-CE1 3.93Å; F64-Y102 WeakPolarHBondContact CA-OH 3.43Å; F64-Y102 WeakPolarHBondContact CB-OH 3.49Å; F64-Y102 PolarHBondContact N-OH 2.73Å; F64-Y102 VanDerWaalsContact N-OH 3.1Å; F74-Y102 HydrophobicContact CD1-CD2 4.37Å; F74-Y102 AromaticContact CD1-CE2 3.92Å; F74-Y102 HydrophobicContact CD1-CE2 3.92Å; W75-Y102 HydrophobicContact CB-CD1 4.27Å; W75-Y102 HydrophobicContact CB-CD2 3.69Å; W75-Y102 HydrophobicContact CB-CE1 4.17Å; W75-Y102 HydrophobicContact CB-CE2 3.61Å; W75-Y102 HydrophobicContact CB-CG 4.03Å; W75-Y102 AromaticContact CD1-CD2 3.79Å; W75-Y102 AromaticContact CD1-CG 3.68Å; W75-Y102 AromaticContact CD2-CD1 3.45Å; W75-Y102 HydrophobicContact CD2-CD1 3.45Å; W75-Y102 VanDerWaalsContact CD2-CD1 3.45Å; W75-Y102 HydrophobicContact CD2-CD2 4.15Å; W75-Y102 AromaticContact CD2-CE1 3.98Å; W75-Y102 HydrophobicContact CD2-CE1 3.98Å; W75-Y102 AromaticContact CD2-CG 3.54Å; W75-Y102 HydrophobicContact CD2-CG 3.54Å; W75-Y102 AromaticContact CE2-CD1 3.93Å; W75-Y102 AromaticContact CE2-CG 3.8Å; W75-Y102 AromaticContact CE3-CD1 3.54Å; W75-Y102 HydrophobicContact CE3-CD1 3.54Å; W75-Y102 AromaticContact CE3-CE1 3.78Å; W75-Y102 HydrophobicContact CE3-CE1 3.78Å; W75-Y102 HydrophobicContact CE3-CG 4.13Å; W75-Y102 AromaticContact CG-CD1 3.8Å; W75-Y102 HydrophobicContact CG-CD1 3.8Å; W75-Y102 AromaticContact CG-CD2 3.59Å; W75-Y102 HydrophobicContact CG-CD2 3.59Å; W75-Y102 HydrophobicContact CG-CE1 4.18Å; W75-Y102 HydrophobicContact CG-CE2 4.01Å; W75-Y102 AromaticContact CG-CG 3.48Å; W75-Y102 HydrophobicContact CG-CG 3.48Å; W75-Y102 VanDerWaalsContact CG-CG 3.48Å; W75-Y102 HydrophobicContact CH2-CD1 4.49Å; W75-Y102 HydrophobicContact CZ2-CD1 4.43Å; W75-Y102 HydrophobicContact CZ3-CD1 4.07Å; W75-Y102 HydrophobicContact CZ3-CE1 4.49Å; W75-Y102 AromaticContact NE1-CG 3.87Å; W78-Y102 HydrophobicContact CE3-CD2 4.2Å; W78-Y102 HydrophobicContact CZ3-CD2 4.12Å; Y102-N104 PolarHBondContact O-N 2.66Å; Y102-N104 VanDerWaalsContact O-N 3.08Å; Y102-F105 AromaticContact CD2-CD2 3.66Å; Y102-F105 HydrophobicContact CD2-CD2 3.66Å; Y102-F105 AromaticContact CD2-CE2 3.99Å; Y102-F105 HydrophobicContact CD2-CE2 3.99Å; Y102-F105 AromaticContact CE2-CD2 3.88Å; Y102-F105 HydrophobicContact CE2-CD2 3.88Å; Y102-F105 HydrophobicContact CE2-CE2 4.28Å; Y102-F105 HydrophobicContact CG-CD2 4.27Å; Y102-F105 WeakPolarHBondContact O-CB 3.41Å; Y102-F105 PolarHBondContact O-N 2.71Å; Y102-E139 HydrophobicContact CE1-CB 4.18Å; Y102-E139 WeakPolarHBondContact CE1-OE2 3.3Å; Y102-E139 VanDerWaalsContact CZ-OE2 3.23Å; Y102-E139 PolarHBondContact OH-OE2 2.99Å; Y102-W152 HydrophobicContact CD1-CH2 4.29Å; Y102-W152 HydrophobicContact CD1-CZ2 4.19Å; Y102-W152 HydrophobicContact CE1-CZ2 4.36Å
103A96.3Very high96.9Very high50 Ų5079.6 Ų79.641%0.41338%0.381SS..G310 helixtrans-57-24.3174.900000114A101 F105 A106 W152A101-A103 PolarHBondContact O-N 2.74Å; A103-F105 PolarHBondContact O-N 3.48Å; A103-A106 WeakPolarHBondContact O-CB 3.39Å; A103-A106 PolarHBondContact O-N 3.19Å; A103-W152 HydrophobicContact CB-CH2 4.21Å; A103-W152 HydrophobicContact CB-CZ3 3.85Å
104N96.7Very high97Very high69 Ų6971.6 Ų71.637%0.36935%0.351SS..G310 helixtrans-68.2-24.8178.6-61.515.6000111.9F100 A101 Y102 A106F100-N104 HydrophobicContact CD1-CB 4.32Å; F100-N104 HydrophobicContact CD2-CB 4.29Å; F100-N104 HydrophobicContact CE1-CB 3.78Å; F100-N104 HydrophobicContact CE2-CB 3.76Å; F100-N104 HydrophobicContact CZ-CB 3.48Å; F100-N104 VanDerWaalsContact CZ-CB 3.48Å; A101-N104 WeakPolarHBondContact O-CB 3.49Å; A101-N104 PolarHBondContact O-N 3.24Å; Y102-N104 PolarHBondContact O-N 2.66Å; Y102-N104 VanDerWaalsContact O-N 3.08Å; N104-A106 VanDerWaalsContact C-N 3.32Å; N104-A106 PolarHBondContact O-N 3.49Å
105F98.1Very high97Very high0 Ų068.2 Ų68.20%034%0.342CS..G310 helixtrans-68.8-28175.5-70.3-57.6000113V63 V66 P67 F74 W78 M92 Y96 F100 Y102 A103 K107 Q108 F109V63-F105 HydrophobicContact CG1-CB 3.41Å; V63-F105 VanDerWaalsContact CG1-CB 3.41Å; V66-F105 HydrophobicContact CB-CB 4.24Å; V66-F105 HydrophobicContact CB-CD1 4.24Å; V66-F105 HydrophobicContact CG1-CB 4.21Å; V66-F105 HydrophobicContact CG1-CD1 3.61Å; V66-F105 HydrophobicContact CG1-CE1 4.4Å; V66-F105 HydrophobicContact CG1-CG 4.3Å; P67-F105 HydrophobicContact CB-CE1 4.1Å; P67-F105 HydrophobicContact CB-CE2 4.27Å; P67-F105 HydrophobicContact CB-CZ 3.88Å; P67-F105 HydrophobicContact CG-CD2 4.45Å; P67-F105 HydrophobicContact CG-CE2 4.27Å; P67-F105 HydrophobicContact CG-CZ 4.33Å; F74-F105 HydrophobicContact CE1-CE2 4.05Å; F74-F105 HydrophobicContact CE1-CZ 4.42Å; W78-F105 HydrophobicContact CZ3-CE2 4.26Å; M92-F105 HydrophobicContact CE-CE2 4.15Å; M92-F105 HydrophobicContact CE-CZ 3.87Å; M92-F105 HydrophobicContact SD-CZ 4.08Å; Y96-F105 HydrophobicContact CD1-CE1 4.3Å; Y96-F105 HydrophobicContact CD1-CZ 4.27Å; Y96-F105 AromaticContact CE1-CE1 3.41Å; Y96-F105 HydrophobicContact CE1-CE1 3.41Å; Y96-F105 VanDerWaalsContact CE1-CE1 3.41Å; Y96-F105 AromaticContact CE1-CZ 3.69Å; Y96-F105 HydrophobicContact CE1-CZ 3.69Å; Y96-F105 AromaticContact CZ-CE1 3.73Å; Y96-F105 AromaticContact CZ-CZ 3.89Å; F100-F105 HydrophobicContact CD1-CE2 4.29Å; F100-F105 HydrophobicContact CD1-CZ 4.24Å; F100-F105 AromaticContact CE1-CD1 3.87Å; F100-F105 HydrophobicContact CE1-CD1 3.87Å; F100-F105 AromaticContact CE1-CD2 3.86Å; F100-F105 HydrophobicContact CE1-CD2 3.86Å; F100-F105 AromaticContact CE1-CE1 3.62Å; F100-F105 HydrophobicContact CE1-CE1 3.62Å; F100-F105 AromaticContact CE1-CE2 3.59Å; F100-F105 HydrophobicContact CE1-CE2 3.59Å; F100-F105 AromaticContact CE1-CG 3.99Å; F100-F105 HydrophobicContact CE1-CG 3.99Å; F100-F105 AromaticContact CE1-CZ 3.46Å; F100-F105 HydrophobicContact CE1-CZ 3.46Å; F100-F105 VanDerWaalsContact CE1-CZ 3.46Å; F100-F105 AromaticContact CZ-CD1 3.9Å; F100-F105 HydrophobicContact CZ-CD1 3.9Å; F100-F105 AromaticContact CZ-CE1 3.8Å; F100-F105 HydrophobicContact CZ-CE1 3.8Å; F100-F105 HydrophobicContact CZ-CG 4.33Å; F100-F105 HydrophobicContact CZ-CZ 4.13Å; Y102-F105 AromaticContact CD2-CD2 3.66Å; Y102-F105 HydrophobicContact CD2-CD2 3.66Å; Y102-F105 AromaticContact CD2-CE2 3.99Å; Y102-F105 HydrophobicContact CD2-CE2 3.99Å; Y102-F105 AromaticContact CE2-CD2 3.88Å; Y102-F105 HydrophobicContact CE2-CD2 3.88Å; Y102-F105 HydrophobicContact CE2-CE2 4.28Å; Y102-F105 HydrophobicContact CG-CD2 4.27Å; Y102-F105 WeakPolarHBondContact O-CB 3.41Å; Y102-F105 PolarHBondContact O-N 2.71Å; A103-F105 PolarHBondContact O-N 3.48Å; F105-K107 PolarHBondContact O-N 3.1Å; F105-Q108 WeakPolarHBondContact O-CA 3.5Å; F105-Q108 WeakPolarHBondContact O-CB 3.49Å; F105-Q108 PolarHBondContact O-N 2.81Å; F105-F109 PolarHBondContact O-N 3.43Å
106A97.6Very high97.1Very high0 Ų062 Ų620%032%0.319CS..G310 helixtrans-61-31.7-17800000112.7V63 A103 N104 Q108 F109 F141 W152 I157 G158V63-A106 HydrophobicContact CG2-CB 4.13Å; A103-A106 WeakPolarHBondContact O-CB 3.39Å; A103-A106 PolarHBondContact O-N 3.19Å; N104-A106 VanDerWaalsContact C-N 3.32Å; N104-A106 PolarHBondContact O-N 3.49Å; A106-Q108 PolarHBondContact O-N 3.42Å; A106-F109 PolarHBondContact O-N 3.19Å; A106-F141 HydrophobicContact CB-CE2 4.24Å; A106-W152 HydrophobicContact CB-CE3 4.27Å; A106-W152 HydrophobicContact CB-CH2 3.9Å; A106-W152 HydrophobicContact CB-CZ3 3.46Å; A106-W152 VanDerWaalsContact CB-CZ3 3.46Å; A106-I157 HydrophobicContact CB-CD1 4.03Å; A106-I157 HydrophobicContact CB-CG1 4.27Å; A106-I157 HydrophobicContact CB-CG2 4.05Å; A106-G158 VanDerWaalsContact O-CA 3.23Å; A106-G158 WeakPolarHBondContact O-CA 2.94Å
107K96.4Very high97.2Very high147 Ų14762.8 Ų62.864%0.63933%0.327SS*.G310 helixtrans-66.8-19.5174.5-64.2-178-178.7174.40113.7F105 H110 I157F105-K107 PolarHBondContact O-N 3.1Å; K107-H110 PolarHBondContact O-CE1 2.85Å; K107-I157 HydrophobicContact CG-CD1 3.77Å; K107-I157 HydrophobicContact CG-CG1 4.13Å
108Q97.4Very high97.3Very high78 Ų7863.4 Ų63.436%0.36433%0.327SS..G310 helixtrans-100.8-3.4-178.5-56.9172.728.300111.9V66 F105 A106 H110V66-Q108 HydrophobicContact CG1-CB 3.62Å; V66-Q108 HydrophobicContact CG2-CB 4.35Å; F105-Q108 WeakPolarHBondContact O-CA 3.5Å; F105-Q108 WeakPolarHBondContact O-CB 3.49Å; F105-Q108 PolarHBondContact O-N 2.81Å; A106-Q108 PolarHBondContact O-N 3.42Å; Q108-H110 PolarHBondContact O-CD2 3.5Å; Q108-H110 PolarHBondContact O-N 2.95Å
109F98.5Very high97.6Very high0 Ų057.5 Ų57.50%029%0.288CS..  trans-83.285.8173.7-176.8-123000109.1W61 S65 V66 F105 A106 F141 G158 P159 L163W61-F109 AromaticContact CD1-CE2 3.99Å; W61-F109 HydrophobicContact CD2-CE2 4.19Å; W61-F109 AromaticContact CD2-CZ 3.84Å; W61-F109 HydrophobicContact CD2-CZ 3.84Å; W61-F109 AromaticContact CE2-CE2 3.52Å; W61-F109 AromaticContact CE2-CZ 3.52Å; W61-F109 HydrophobicContact CE3-CZ 4.34Å; W61-F109 HydrophobicContact CG-CE2 4.43Å; W61-F109 HydrophobicContact CG-CZ 4.3Å; W61-F109 HydrophobicContact CH2-CZ 4.26Å; W61-F109 AromaticContact CZ2-CE2 3.82Å; W61-F109 HydrophobicContact CZ2-CE2 3.82Å; W61-F109 AromaticContact CZ2-CZ 3.72Å; W61-F109 HydrophobicContact CZ2-CZ 3.72Å; W61-F109 AromaticContact NE1-CE2 3.41Å; W61-F109 AromaticContact NE1-CZ 3.85Å; S65-F109 WeakPolarHBondContact OG-CE2 3.43Å; V66-F109 HydrophobicContact CG2-CB 3.83Å; V66-F109 HydrophobicContact CG2-CD2 4.3Å; F105-F109 PolarHBondContact O-N 3.43Å; A106-F109 PolarHBondContact O-N 3.19Å; F109-F141 AromaticContact CD1-CE1 3.84Å; F109-F141 HydrophobicContact CD1-CE1 3.84Å; F109-F141 HydrophobicContact CD1-CZ 4.02Å; F109-F141 AromaticContact CE1-CE1 3.85Å; F109-F141 HydrophobicContact CE1-CE1 3.85Å; F109-F141 HydrophobicContact CE1-CZ 4.44Å; F109-G158 CarbonylContact O-C 3.58Å; F109-G158 WeakPolarHBondContact O-CA 3.39Å; F109-P159 HydrophobicContact CD1-CG 4.28Å; F109-P159 HydrophobicContact CE1-CG 4.32Å; F109-P159 WeakPolarHBondContact O-CD 3.31Å; F109-P159 VanDerWaalsContact O-N 3.13Å; F109-L163 HydrophobicContact CE1-CD1 3.75Å; F109-L163 HydrophobicContact CZ-CD1 4.01Å
110H97.3Very high97.8Very high92 Ų9251 Ų5143%0.42625%0.253SS..  trans-94-29.2-165.4-70.4-53.9000114.9K107 Q108 E112 P159 S342K107-H110 PolarHBondContact O-CE1 2.85Å; Q108-H110 PolarHBondContact O-CD2 3.5Å; Q108-H110 PolarHBondContact O-N 2.95Å; H110-E112 WeakPolarHBondContact CB-OE2 3.37Å; H110-E112 PolarHBondContact O-N 2.05Å; H110-P159 WeakPolarHBondContact O-CA 3.41Å; H110-P159 VanDerWaalsContact O-CB 3.28Å; H110-P159 WeakPolarHBondContact O-CB 3.49Å; H110-S342 PolarHBondContact N-O 2.86Å
111A98.3Very high97.9Very high4 Ų451.9 Ų51.93%0.03326%0.259CS..  trans47.829.6-17600000114.9W61 F113 F114 P159 L163 S342 Y343W61-A111 HydrophobicContact CH2-CB 3.53Å; W61-A111 HydrophobicContact CZ2-CB 3.68Å; A111-F113 PolarHBondContact O-N 2.76Å; A111-F114 HydrophobicContact CB-CB 3.88Å; A111-F114 WeakPolarHBondContact O-CB 3.4Å; A111-F114 PolarHBondContact O-N 2.78Å; A111-P159 HydrophobicContact CB-CB 3.66Å; A111-P159 HydrophobicContact CB-CG 4.38Å; A111-L163 HydrophobicContact CB-CD2 4.22Å; A111-S342 PolarHBondContact N-O 3.1Å; A111-Y343 CarbonylContact C-O 3.5Å
112E97.9Very high98Very high99 Ų9950.6 Ų50.646%0.46325%0.246SC..THydrogen-bonded Turntrans-66.8-25-171.766.1-87.9-140.800113.2H110 Y343H110-E112 WeakPolarHBondContact CB-OE2 3.37Å; H110-E112 PolarHBondContact O-N 2.05Å; E112-Y343 PolarHBondContact N-O 2.9Å; E112-Y343 WeakPolarHBondContact OE2-CA 3.41Å; E112-Y343 WeakPolarHBondContact OE2-CB 3.48Å
113F98.4Very high98.1Very high123 Ų12350.3 Ų50.354%0.53925%0.245SC..THydrogen-bonded Turntrans-102.38.5173.1-52.6-60.6000112.9A111 Q115 Y343 T345A111-F113 PolarHBondContact O-N 2.76Å; F113-Q115 PolarHBondContact O-N 2.99Å; F113-Q115 VanDerWaalsContact O-N 3.14Å; F113-Y343 CarbonylContact C-O 3.54Å; F113-Y343 VanDerWaalsContact CA-O 3.31Å; F113-Y343 WeakPolarHBondContact CA-O 3.32Å; F113-Y343 VanDerWaalsContact CB-O 3.27Å; F113-Y343 WeakPolarHBondContact CB-O 3.26Å; F113-Y343 AromaticContact CD2-CD2 3.71Å; F113-Y343 HydrophobicContact CD2-CD2 3.71Å; F113-Y343 HydrophobicContact CD2-CG 4.14Å; F113-Y343 HydrophobicContact CE2-CD2 4.33Å; F113-Y343 PolarHBondContact N-O 3.43Å; F113-T345 HydrophobicContact CB-CG2 3.66Å; F113-T345 HydrophobicContact CD2-CG2 4.43Å; F113-T345 HydrophobicContact CG-CG2 4.37Å
114F98.7Very high98.2Very high1 Ų151.4 Ų51.40%0.00424%0.241CC..  trans-66.3113.5174.2175-126.6000110.8W61 A111 P116 W119 R161 L163 D166 L167 G344W61-F114 HydrophobicContact CH2-CB 3.92Å; W61-F114 HydrophobicContact CH2-CD1 4.23Å; W61-F114 HydrophobicContact CH2-CD2 4Å; W61-F114 AromaticContact CH2-CG 3.79Å; W61-F114 HydrophobicContact CH2-CG 3.79Å; W61-F114 HydrophobicContact CZ3-CD1 4.41Å; W61-F114 HydrophobicContact CZ3-CD2 4.09Å; W61-F114 HydrophobicContact CZ3-CE2 4.27Å; W61-F114 HydrophobicContact CZ3-CG 4.17Å; A111-F114 HydrophobicContact CB-CB 3.88Å; A111-F114 WeakPolarHBondContact O-CB 3.4Å; A111-F114 PolarHBondContact O-N 2.78Å; F114-P116 HydrophobicContact CE1-CB 4.3Å; F114-P116 HydrophobicContact CE1-CG 4.45Å; F114-P116 HydrophobicContact CE2-CB 4.22Å; F114-P116 HydrophobicContact CZ-CB 3.76Å; F114-P116 HydrophobicContact CZ-CG 4.38Å; F114-W119 HydrophobicContact CD2-CD2 4.12Å; F114-W119 AromaticContact CD2-CE2 3.8Å; F114-W119 HydrophobicContact CD2-CE3 4.37Å; F114-W119 HydrophobicContact CD2-CH2 4.03Å; F114-W119 AromaticContact CD2-CZ2 3.78Å; F114-W119 HydrophobicContact CD2-CZ2 3.78Å; F114-W119 HydrophobicContact CD2-CZ3 4.31Å; F114-W119 AromaticContact CE2-CD2 3.82Å; F114-W119 HydrophobicContact CE2-CD2 3.82Å; F114-W119 AromaticContact CE2-CE2 3.99Å; F114-W119 AromaticContact CE2-CE3 3.76Å; F114-W119 HydrophobicContact CE2-CE3 3.76Å; F114-W119 HydrophobicContact CE2-CG 4.43Å; F114-W119 HydrophobicContact CE2-CH2 4.04Å; F114-W119 HydrophobicContact CE2-CZ2 4.13Å; F114-W119 AromaticContact CE2-CZ3 3.86Å; F114-W119 HydrophobicContact CE2-CZ3 3.86Å; F114-R161 PolarHBondContact O-NH1 3.37Å; F114-L163 HydrophobicContact CD1-CD2 3.61Å; F114-L163 HydrophobicContact CE1-CB 4.39Å; F114-L163 HydrophobicContact CE1-CD2 3.78Å; F114-D166 HydrophobicContact CE1-CB 4.13Å; F114-L167 HydrophobicContact CZ-CB 4.36Å; F114-G344 WeakPolarHBondContact CA-O 3.48Å
115Q98.4Very high98.3Very high91 Ų9154.6 Ų54.643%0.42525%0.252SS..  trans-123.494179.2-65.1-64.7-40.200108.3F113 D117 K118 W119F113-Q115 PolarHBondContact O-N 2.99Å; F113-Q115 VanDerWaalsContact O-N 3.14Å; Q115-D117 PolarHBondContact O-N 2.56Å; Q115-K118 HydrophobicContact CB-CB 4Å; Q115-K118 HydrophobicContact CB-CD 3.89Å; Q115-K118 HydrophobicContact CB-CG 3.83Å; Q115-K118 HydrophobicContact CG-CD 4.27Å; Q115-K118 WeakPolarHBondContact O-CB 3.2Å; Q115-K118 PolarHBondContact O-N 2.85Å; Q115-W119 PolarHBondContact O-N 3.33Å
116P98.6Very high98.3Very high13 Ų1354.6 Ų54.68%0.08425%0.252CS..Hα-helixtrans-58.8-34.1-173.724.7-36.4000112.2F114 K118 W119 A120 D166 L167 S170F114-P116 HydrophobicContact CE1-CB 4.3Å; F114-P116 HydrophobicContact CE1-CG 4.45Å; F114-P116 HydrophobicContact CE2-CB 4.22Å; F114-P116 HydrophobicContact CZ-CB 3.76Å; F114-P116 HydrophobicContact CZ-CG 4.38Å; P116-K118 PolarHBondContact O-N 3.01Å; P116-W119 PolarHBondContact O-N 2.84Å; P116-A120 WeakPolarHBondContact O-CB 3.19Å; P116-A120 PolarHBondContact O-N 3.44Å; P116-D166 HydrophobicContact CB-CB 4.37Å; P116-D166 HydrophobicContact CG-CB 4.17Å; P116-L167 HydrophobicContact CB-CD1 4.5Å; P116-S170 PolarHBondContact O-OG 2.83Å
117D98.8Very high98.3Very high63 Ų6355.4 Ų55.434%0.33726%0.261SS..Hα-helixtrans-62-39.2174.7-80.622.2000113.1Q115 D121 S170 R174Q115-D117 PolarHBondContact O-N 2.56Å; D117-D121 WeakPolarHBondContact O-CB 3.49Å; D117-D121 PolarHBondContact O-N 2.88Å; D117-S170 WeakPolarHBondContact CA-OG 3.38Å; D117-S170 PolarHBondContact N-OG 3.32Å; D117-S170 WeakPolarHBondContact OD1-CB 3.27Å; D117-S170 PolarHBondContact OD1-OG 2.89Å; D117-R174 VanDerWaalsContact CG-CD 3.43Å; D117-R174 IonicContact OD2-CZ 3.6Å; D117-R174 IonicContact OD2-NE 2.78Å; D117-R174 IonicContact OD2-NH1 2.98Å; D117-R174 PolarHBondContact OD2-NH1 2.74Å
118K98.4Very high98.4Very high149 Ų14948.4 Ų48.465%0.64823%0.23SC*.Hα-helixtrans-69-40176.3-68.1-171.4178.2-178.40111.3Q115 P116 D121 L122Q115-K118 HydrophobicContact CB-CB 4Å; Q115-K118 HydrophobicContact CB-CD 3.89Å; Q115-K118 HydrophobicContact CB-CG 3.83Å; Q115-K118 HydrophobicContact CG-CD 4.27Å; Q115-K118 WeakPolarHBondContact O-CB 3.2Å; Q115-K118 PolarHBondContact O-N 2.85Å; P116-K118 PolarHBondContact O-N 3.01Å; K118-D121 PolarHBondContact O-N 3.49Å; K118-L122 WeakPolarHBondContact O-CB 2.86Å; K118-L122 PolarHBondContact O-N 2.9Å
119W98.8Very high98.5Very high10 Ų1049.8 Ų49.84%0.03823%0.232CC..Hα-helixtrans-63.9-46.3176.1-7426.3000111I59 W61 F114 Q115 P116 D121 L122 F123 L167 P340 G344 I346I59-W119 HydrophobicContact CD1-CE3 3.98Å; I59-W119 HydrophobicContact CD1-CZ3 4.03Å; I59-W119 HydrophobicContact CG2-CH2 4.27Å; I59-W119 HydrophobicContact CG2-CZ3 3.84Å; W61-W119 HydrophobicContact CD2-CH2 4.06Å; W61-W119 AromaticContact CE3-CH2 3.82Å; W61-W119 HydrophobicContact CE3-CH2 3.82Å; W61-W119 HydrophobicContact CE3-CZ3 4.3Å; W61-W119 HydrophobicContact CH2-CH2 4.41Å; W61-W119 AromaticContact CZ3-CH2 3.97Å; W61-W119 HydrophobicContact CZ3-CH2 3.97Å; W61-W119 HydrophobicContact CZ3-CZ3 4.49Å; F114-W119 HydrophobicContact CD2-CD2 4.12Å; F114-W119 AromaticContact CD2-CE2 3.8Å; F114-W119 HydrophobicContact CD2-CE3 4.37Å; F114-W119 HydrophobicContact CD2-CH2 4.03Å; F114-W119 AromaticContact CD2-CZ2 3.78Å; F114-W119 HydrophobicContact CD2-CZ2 3.78Å; F114-W119 HydrophobicContact CD2-CZ3 4.31Å; F114-W119 AromaticContact CE2-CD2 3.82Å; F114-W119 HydrophobicContact CE2-CD2 3.82Å; F114-W119 AromaticContact CE2-CE2 3.99Å; F114-W119 AromaticContact CE2-CE3 3.76Å; F114-W119 HydrophobicContact CE2-CE3 3.76Å; F114-W119 HydrophobicContact CE2-CG 4.43Å; F114-W119 HydrophobicContact CE2-CH2 4.04Å; F114-W119 HydrophobicContact CE2-CZ2 4.13Å; F114-W119 AromaticContact CE2-CZ3 3.86Å; F114-W119 HydrophobicContact CE2-CZ3 3.86Å; Q115-W119 PolarHBondContact O-N 3.33Å; P116-W119 PolarHBondContact O-N 2.84Å; W119-D121 VanDerWaalsContact C-N 3.34Å; W119-D121 PolarHBondContact O-N 3.11Å; W119-L122 PolarHBondContact O-N 3.26Å; W119-F123 HydrophobicContact CB-CD2 4.4Å; W119-F123 HydrophobicContact CB-CE2 3.76Å; W119-F123 HydrophobicContact CB-CZ 4.06Å; W119-F123 HydrophobicContact CD2-CZ 4.34Å; W119-F123 HydrophobicContact CE3-CE2 4.19Å; W119-F123 HydrophobicContact CE3-CZ 4.11Å; W119-F123 HydrophobicContact CG-CE2 4.47Å; W119-F123 HydrophobicContact CG-CZ 4.37Å; W119-F123 WeakPolarHBondContact O-CD2 3.15Å; W119-F123 WeakPolarHBondContact O-CG 3.47Å; W119-F123 PolarHBondContact O-N 3.45Å; W119-L167 HydrophobicContact CB-CD1 4.11Å; W119-L167 HydrophobicContact CE3-CD1 4.27Å; W119-L167 HydrophobicContact CE3-CD2 4.3Å; W119-P340 HydrophobicContact CH2-CB 3.69Å; W119-P340 HydrophobicContact CH2-CG 3.44Å; W119-P340 VanDerWaalsContact CH2-CG 3.44Å; W119-P340 HydrophobicContact CZ2-CB 3.73Å; W119-P340 HydrophobicContact CZ2-CG 3.92Å; W119-P340 HydrophobicContact CZ3-CG 4.16Å; W119-G344 WeakPolarHBondContact CZ2-O 3.2Å; W119-G344 PolarHBondContact NE1-O 3.4Å; W119-I346 HydrophobicContact CD2-CD1 3.89Å; W119-I346 HydrophobicContact CD2-CG1 4.33Å; W119-I346 HydrophobicContact CG-CD1 3.88Å; W119-I346 HydrophobicContact CZ2-CG1 4.17Å
120A98.8Very high98.5Very high0 Ų049.8 Ų49.80%023%0.232CC..Hα-helixtrans-58.1-45.5176.300000112.1P116 F123 Q124 I171 T175P116-A120 WeakPolarHBondContact O-CB 3.19Å; P116-A120 PolarHBondContact O-N 3.44Å; A120-F123 PolarHBondContact O-N 3.09Å; A120-Q124 WeakPolarHBondContact O-CB 3.4Å; A120-Q124 PolarHBondContact O-N 3.49Å; A120-I171 HydrophobicContact CB-CD1 3.78Å; A120-I171 HydrophobicContact CB-CG1 4.39Å; A120-T175 HydrophobicContact CB-CG2 3.87Å; A120-T175 WeakPolarHBondContact O-CG2 3.22Å
121D98.6Very high98.6Very high52 Ų5245.4 Ų45.428%0.27821%0.212SC..Hα-helixtrans-64-40.6176.8-71.2-7.6000112.1D117 K118 W119 K125 R174D117-D121 WeakPolarHBondContact O-CB 3.49Å; D117-D121 PolarHBondContact O-N 2.88Å; K118-D121 PolarHBondContact O-N 3.49Å; W119-D121 VanDerWaalsContact C-N 3.34Å; W119-D121 PolarHBondContact O-N 3.11Å; D121-K125 WeakPolarHBondContact O-CB 3.44Å; D121-K125 VanDerWaalsContact O-CG 3.25Å; D121-K125 WeakPolarHBondContact O-CG 3.47Å; D121-K125 PolarHBondContact O-N 3.46Å; D121-R174 VanDerWaalsContact CG-NH2 3.29Å; D121-R174 IonicContact OD1-CZ 3.58Å; D121-R174 IonicContact OD1-NE 3.57Å; D121-R174 PolarHBondContact OD1-NE 3.38Å; D121-R174 IonicContact OD1-NH2 3.47Å; D121-R174 PolarHBondContact OD1-NH2 3.35Å; D121-R174 IonicContact OD2-CZ 2.92Å; D121-R174 IonicContact OD2-NE 3.99Å; D121-R174 IonicContact OD2-NH2 3.33Å; D121-R174 PolarHBondContact OD2-NH2 3.38Å
122L98.8Very high98.6Very high16 Ų1645.2 Ų45.28%0.08421%0.21CC..Hα-helixtrans-63.5-48.3176.1176.264.4000111.5K118 W119 Q124 K125 S126 I346 E351 L354 L355K118-L122 WeakPolarHBondContact O-CB 2.86Å; K118-L122 PolarHBondContact O-N 2.9Å; W119-L122 PolarHBondContact O-N 3.26Å; L122-Q124 VanDerWaalsContact C-N 3.35Å; L122-Q124 PolarHBondContact O-N 2.97Å; L122-K125 CarbonylContact O-C 3.42Å; L122-K125 PolarHBondContact O-N 3.5Å; L122-K125 VanDerWaalsContact O-N 3.14Å; L122-S126 PolarHBondContact O-N 3.16Å; L122-I346 HydrophobicContact CD2-CB 4.4Å; L122-I346 HydrophobicContact CD2-CD1 3.64Å; L122-I346 HydrophobicContact CD2-CG2 4.16Å; L122-E351 HydrophobicContact CD1-CB 4.24Å; L122-E351 HydrophobicContact CD2-CB 4.34Å; L122-E351 HydrophobicContact CD2-CG 3.84Å; L122-L354 HydrophobicContact CD1-CB 4.36Å; L122-L354 HydrophobicContact CD2-CD1 4.08Å; L122-L354 HydrophobicContact CG-CD1 4.2Å; L122-L355 HydrophobicContact CD1-CD2 4.01Å; L122-L355 HydrophobicContact CD1-CG 3.97Å
123F98.8Very high98.7Very high0 Ų040.6 Ų40.60%019%0.188CC..Hα-helixtrans-66.7-36.9-178.6-56-32.1000111.9I57 I59 W119 A120 S126 V131 L167 I171 L177 I346 L354I57-F123 HydrophobicContact CB-CD1 4.29Å; I57-F123 HydrophobicContact CG1-CB 4.35Å; I57-F123 HydrophobicContact CG1-CD1 4.03Å; I57-F123 HydrophobicContact CG1-CG 4.32Å; I57-F123 HydrophobicContact CG2-CD1 3.87Å; I57-F123 HydrophobicContact CG2-CE1 3.74Å; I57-F123 HydrophobicContact CG2-CG 4.45Å; I57-F123 HydrophobicContact CG2-CZ 4.22Å; I59-F123 HydrophobicContact CD1-CE2 3.46Å; I59-F123 VanDerWaalsContact CD1-CE2 3.46Å; I59-F123 HydrophobicContact CD1-CZ 3.48Å; I59-F123 VanDerWaalsContact CD1-CZ 3.48Å; I59-F123 HydrophobicContact CG1-CE2 4.41Å; I59-F123 HydrophobicContact CG1-CZ 4.06Å; W119-F123 HydrophobicContact CB-CD2 4.4Å; W119-F123 HydrophobicContact CB-CE2 3.76Å; W119-F123 HydrophobicContact CB-CZ 4.06Å; W119-F123 HydrophobicContact CD2-CZ 4.34Å; W119-F123 HydrophobicContact CE3-CE2 4.19Å; W119-F123 HydrophobicContact CE3-CZ 4.11Å; W119-F123 HydrophobicContact CG-CE2 4.47Å; W119-F123 HydrophobicContact CG-CZ 4.37Å; W119-F123 WeakPolarHBondContact O-CD2 3.15Å; W119-F123 WeakPolarHBondContact O-CG 3.47Å; W119-F123 PolarHBondContact O-N 3.45Å; A120-F123 PolarHBondContact O-N 3.09Å; F123-S126 WeakPolarHBondContact O-CB 2.96Å; F123-S126 PolarHBondContact O-N 2.88Å; F123-S126 PolarHBondContact O-OG 2.89Å; F123-V131 HydrophobicContact CD2-CG2 3.94Å; F123-V131 HydrophobicContact CE2-CG2 4Å; F123-L167 HydrophobicContact CE2-CD1 4.5Å; F123-I171 HydrophobicContact CD2-CD1 4.18Å; F123-L177 HydrophobicContact CB-CD2 3.75Å; F123-I346 HydrophobicContact CE1-CD1 3.64Å; F123-I346 HydrophobicContact CZ-CD1 3.66Å; F123-L354 HydrophobicContact CD1-CD1 4.22Å; F123-L354 HydrophobicContact CE1-CD1 4.25Å
124Q98.5Very high98.7Very high72 Ų7234.7 Ų34.734%0.33616%0.163SC..Hα-helixtrans-60.8-46.1169.4178.479.3-65.400111.8A120 L122 S126 G127 T175 L177A120-Q124 WeakPolarHBondContact O-CB 3.4Å; A120-Q124 PolarHBondContact O-N 3.49Å; L122-Q124 VanDerWaalsContact C-N 3.35Å; L122-Q124 PolarHBondContact O-N 2.97Å; Q124-S126 PolarHBondContact O-N 3.33Å; Q124-G127 PolarHBondContact O-N 2.67Å; Q124-G127 VanDerWaalsContact O-N 3.09Å; Q124-T175 HydrophobicContact CB-CG2 3.96Å; Q124-L177 HydrophobicContact CB-CD1 3.98Å
125K98.6Very high98.7Very high137 Ų13734.7 Ų34.760%0.59616%0.162SC*.Hα-helixtrans-65.2-27.8178.4-75.2173.2-177.4176.70112.8D121 L122 G127 L355 G358D121-K125 WeakPolarHBondContact O-CB 3.44Å; D121-K125 VanDerWaalsContact O-CG 3.25Å; D121-K125 WeakPolarHBondContact O-CG 3.47Å; D121-K125 PolarHBondContact O-N 3.46Å; L122-K125 CarbonylContact O-C 3.42Å; L122-K125 PolarHBondContact O-N 3.5Å; L122-K125 VanDerWaalsContact O-N 3.14Å; K125-G127 PolarHBondContact O-N 3.03Å; K125-L355 HydrophobicContact CB-CD2 3.78Å; K125-L355 HydrophobicContact CD-CD2 4.07Å; K125-G358 WeakPolarHBondContact O-CA 3.4Å
126S98.5Very high98.7Very high0 Ų030.3 Ų30.30%014%0.142CC..THydrogen-bonded Turntrans-66.3-12.4174.381.20000114L122 F123 Q124 A128 L354 G358 L361L122-S126 PolarHBondContact O-N 3.16Å; F123-S126 WeakPolarHBondContact O-CB 2.96Å; F123-S126 PolarHBondContact O-N 2.88Å; F123-S126 PolarHBondContact O-OG 2.89Å; Q124-S126 PolarHBondContact O-N 3.33Å; S126-A128 VanDerWaalsContact C-N 3.26Å; S126-A128 PolarHBondContact O-N 2.96Å; S126-A128 WeakPolarHBondContact OG-CB 3.35Å; S126-A128 PolarHBondContact OG-N 3.18Å; S126-L354 VanDerWaalsContact CA-O 3.26Å; S126-L354 WeakPolarHBondContact CA-O 3.41Å; S126-L354 WeakPolarHBondContact CB-O 3.24Å; S126-G358 WeakPolarHBondContact O-CA 3.2Å; S126-G358 PolarHBondContact O-N 3.08Å; S126-L361 VanDerWaalsContact O-CD1 3.32Å; S126-L361 WeakPolarHBondContact O-CD1 3.38Å
127G98.3Very high98.7Very high17 Ų1729.9 Ų29.918%0.17514%0.139CC..THydrogen-bonded Turntrans85.2-12.6-175.600000114.1Q124 K125 Y369Q124-G127 PolarHBondContact O-N 2.67Å; Q124-G127 VanDerWaalsContact O-N 3.09Å; K125-G127 PolarHBondContact O-N 3.03Å; G127-Y369 VanDerWaalsContact C-OH 3.32Å; G127-Y369 PolarHBondContact O-OH 2.92Å
128A98.7Very high98.6Very high0 Ų027.1 Ų27.10%012%0.124CC..  trans-52.8149.917800000113.1I55 I57 S126 L177I55-A128 HydrophobicContact CG2-CB 4.31Å; I57-A128 HydrophobicContact CD1-CB 3.97Å; I57-A128 HydrophobicContact CG1-CB 3.58Å; S126-A128 VanDerWaalsContact C-N 3.26Å; S126-A128 PolarHBondContact O-N 2.96Å; S126-A128 WeakPolarHBondContact OG-CB 3.35Å; S126-A128 PolarHBondContact OG-N 3.18Å; A128-L177 HydrophobicContact CB-CD2 4.24Å; A128-L177 WeakPolarHBondContact O-CD1 3.47Å; A128-L177 VanDerWaalsContact O-CG 3.31Å; A128-L177 WeakPolarHBondContact O-CG 3.33Å
129R98.7Very high98.6Very high107 Ų10720.2 Ų20.240%0.4049%0.094SC..SBendtrans-112.4-9-174.9-65.8-67.8-173.8164.2-1113.4A53 I55 L177 R178 Y369A53-R129 HydrophobicContact CB-CB 3.6Å; A53-R129 HydrophobicContact CB-CG 4.35Å; A53-R129 WeakPolarHBondContact O-CG 3.05Å; I55-R129 PolarHBondContact O-N 3.08Å; R129-L177 WeakPolarHBondContact O-CA 3.14Å; R129-R178 PolarHBondContact O-N 2.8Å; R129-Y369 HydrophobicContact CG-CD1 4.07Å; R129-Y369 HydrophobicContact CG-CE1 3.68Å
130Y98.9Very high98.6Very high0 Ų019.8 Ų19.80%09%0.092CC..EExtended strand (participates in β ladder)trans-150.3159.8172.362.1-74.5000110.1W49 Y50 A53 I55 G56 I57 V132 R178 V226 E293 I334 L335W49-Y130 HydrophobicContact CH2-CG 4.43Å; W49-Y130 HydrophobicContact CZ3-CD1 4.13Å; W49-Y130 HydrophobicContact CZ3-CG 4.12Å; Y50-Y130 HydrophobicContact CE2-CE2 4.36Å; A53-Y130 HydrophobicContact CB-CD1 3.95Å; A53-Y130 HydrophobicContact CB-CE1 4.22Å; I55-Y130 WeakPolarHBondContact O-CD1 3.4Å; I55-Y130 VanDerWaalsContact O-CE1 3.31Å; I55-Y130 WeakPolarHBondContact O-CE1 3.39Å; G56-Y130 CarbonylContact C-O 3.57Å; G56-Y130 VanDerWaalsContact CA-CZ 3.4Å; G56-Y130 WeakPolarHBondContact CA-O 3.34Å; G56-Y130 PolarHBondContact N-OH 3.49Å; I57-Y130 PolarHBondContact N-O 3.26Å; Y130-V132 HydrophobicContact CD2-CG2 4.23Å; Y130-V132 HydrophobicContact CE2-CG2 4.5Å; Y130-R178 CarbonylContact C-O 3.55Å; Y130-R178 WeakPolarHBondContact CA-O 3.42Å; Y130-R178 WeakPolarHBondContact CB-O 3.32Å; Y130-V226 HydrophobicContact CD2-CG2 3.99Å; Y130-E293 PolarHBondContact OH-OE2 3.04Å; Y130-I334 PolarHBondContact OH-O 3.33Å; Y130-I334 VanDerWaalsContact OH-O 3.11Å; Y130-L335 HydrophobicContact CE2-CD1 3.88Å
131V98.9Very high98.5Very high0 Ų019.8 Ų19.80%09%0.093CC..EExtended strand (participates in β ladder)trans-135.4137.9177.261.30000109.4I57 I59 F123 I171 L177 R178 F179 G180I57-V131 HydrophobicContact CB-CG2 4.24Å; I57-V131 CarbonylContact O-C 3.45Å; I57-V131 VanDerWaalsContact O-CA 3.24Å; I57-V131 WeakPolarHBondContact O-CA 3.22Å; I59-V131 HydrophobicContact CD1-CG2 3.69Å; I59-V131 HydrophobicContact CG1-CG2 4.22Å; F123-V131 HydrophobicContact CD2-CG2 3.94Å; F123-V131 HydrophobicContact CE2-CG2 4Å; V131-I171 HydrophobicContact CG1-CD1 3.78Å; V131-I171 HydrophobicContact CG1-CG1 3.87Å; V131-I171 HydrophobicContact CG1-CG2 4.15Å; V131-L177 HydrophobicContact CB-CD2 4.37Å; V131-R178 PolarHBondContact N-O 3.13Å; V131-F179 HydrophobicContact CG1-CD2 4.08Å; V131-F179 CarbonylContact O-C 3.52Å; V131-G180 WeakPolarHBondContact O-CA 3.31Å; V131-G180 PolarHBondContact O-N 3.29Å
132V98.9Very high98.6Very high0 Ų017.3 Ų17.30%08%0.079CC..EExtended strand (participates in β ladder)trans-117.7123.3175.8-175.20000108I57 F58 I59 Y130 G180 V181 V226 W228 L335I57-V132 PolarHBondContact O-N 3.18Å; F58-V132 CarbonylContact C-O 3.46Å; F58-V132 WeakPolarHBondContact CA-O 3.47Å; F58-V132 HydrophobicContact CD2-CB 3.81Å; F58-V132 HydrophobicContact CD2-CG1 3.85Å; F58-V132 WeakPolarHBondContact CD2-O 3.18Å; F58-V132 HydrophobicContact CE2-CB 4.33Å; F58-V132 HydrophobicContact CE2-CG1 3.83Å; F58-V132 HydrophobicContact CG-CB 4.47Å; I59-V132 PolarHBondContact N-O 3.03Å; Y130-V132 HydrophobicContact CD2-CG2 4.23Å; Y130-V132 HydrophobicContact CE2-CG2 4.5Å; V132-G180 WeakPolarHBondContact CA-O 3.3Å; V132-V181 VanDerWaalsContact CG1-C 3.48Å; V132-V226 HydrophobicContact CG2-CB 4.11Å; V132-V226 HydrophobicContact CG2-CG1 3.95Å; V132-V226 HydrophobicContact CG2-CG2 4.49Å; V132-W228 HydrophobicContact CG1-CB 4.1Å; V132-L335 HydrophobicContact CG2-CD1 4.18Å; V132-L335 HydrophobicContact CG2-CD2 4.23Å
133L98.9Very high98.6Very high1 Ų116.6 Ų16.61%0.0058%0.076CC..EExtended strand (participates in β ladder)trans-103.8134.6173.1174.465.1000109.7I59 A135 V164 L167 F179 G180 V181 Y182I59-L133 HydrophobicContact CB-CD1 3.87Å; I59-L133 HydrophobicContact CD1-CD1 4.39Å; I59-L133 HydrophobicContact CG2-CD1 3.86Å; L133-A135 PolarHBondContact O-N 3.24Å; L133-V164 HydrophobicContact CD2-CB 4.41Å; L133-V164 HydrophobicContact CD2-CG2 3.93Å; L133-L167 HydrophobicContact CB-CD2 4.09Å; L133-L167 HydrophobicContact CD1-CD2 4.48Å; L133-L167 HydrophobicContact CD2-CB 4.49Å; L133-L167 HydrophobicContact CD2-CD2 3.97Å; L133-L167 HydrophobicContact CG-CD2 4.4Å; L133-F179 HydrophobicContact CB-CE2 4.49Å; L133-G180 PolarHBondContact N-O 3.46Å; L133-G180 VanDerWaalsContact N-O 3.09Å; L133-V181 CarbonylContact O-C 3.52Å; L133-V181 WeakPolarHBondContact O-CA 3.27Å; L133-Y182 PolarHBondContact O-N 3.2Å
134T98.7Very high98.5Very high0 Ų016.6 Ų16.60%08%0.076CC..EExtended strand (participates in β ladder)trans-59.998.6166.5-58.80000109.4I59 H60 H137 N143 Y182I59-T134 VanDerWaalsContact O-CB 3.25Å; I59-T134 WeakPolarHBondContact O-CB 3.46Å; I59-T134 PolarHBondContact O-N 3.27Å; I59-T134 PolarHBondContact O-OG1 2.95Å; H60-T134 WeakPolarHBondContact CA-OG1 3.27Å; T134-H137 HydrophobicContact CG2-CB 3.81Å; T134-N143 PolarHBondContact O-ND2 3.01Å; T134-Y182 HydrophobicContact CG2-CD1 3.76Å; T134-Y182 HydrophobicContact CG2-CE1 4.15Å
135A98.8Very high98.5Very high0 Ų014.9 Ų14.90%07%0.07CC..EExtended strand (participates in β ladder)trans-74.3-42.117500000109.3L133 C142 N143 W144 V164 V181 Y182 L218L133-A135 PolarHBondContact O-N 3.24Å; A135-C142 CarbonylContact O-C 3.53Å; A135-C142 WeakPolarHBondContact O-CA 2.9Å; A135-N143 PolarHBondContact O-N 3.24Å; A135-W144 HydrophobicContact CB-CE3 3.78Å; A135-W144 HydrophobicContact CB-CH2 4.48Å; A135-W144 HydrophobicContact CB-CZ3 3.53Å; A135-W144 VanDerWaalsContact O-CZ3 3.27Å; A135-W144 WeakPolarHBondContact O-CZ3 3.25Å; A135-V164 HydrophobicContact CB-CG2 4.07Å; A135-V181 HydrophobicContact CB-CB 4.12Å; A135-V181 HydrophobicContact CB-CG1 4.36Å; A135-Y182 WeakPolarHBondContact CB-O 3.29Å; A135-Y182 PolarHBondContact N-O 2.86Å; A135-L218 HydrophobicContact CB-CD1 3.99Å; A135-L218 HydrophobicContact CB-CD2 3.9Å
136K98.6Very high98.5Very high0 Ų08.5 Ų8.50%04%0.043CC..EExtended strand (participates in β ladder)trans-146123.2174.3-170-173.980.51700110.6W144 Y182 H183 S184 E187 E214K136-W144 HydrophobicContact CB-CH2 4.41Å; K136-W144 HydrophobicContact CB-CZ3 4.06Å; K136-Y182 PolarHBondContact N-O 3.24Å; K136-Y182 WeakPolarHBondContact O-CD1 3.24Å; K136-Y182 VanDerWaalsContact O-CE1 3.22Å; K136-Y182 WeakPolarHBondContact O-CE1 3.37Å; K136-H183 WeakPolarHBondContact CE-NE2 3.33Å; K136-S184 WeakPolarHBondContact CE-O 3.19Å; K136-S184 PolarHBondContact NZ-O 2.99Å; K136-S184 PolarHBondContact O-N 3.49Å; K136-E187 IonicContact NZ-OE1 2.8Å; K136-E187 PolarHBondContact NZ-OE1 2.7Å; K136-E214 WeakPolarHBondContact CD-OE2 3.49Å; K136-E214 WeakPolarHBondContact CE-OE2 3.36Å; K136-E214 IonicContact NZ-OE2 2.68Å; K136-E214 PolarHBondContact NZ-OE2 2.76Å
137H98.4Very high98.2Very high4 Ų415.3 Ų15.32%0.0198%0.078CC..  trans-90.2176.4169.8-168.1-114.2000111.2H60 F64 T134 E139 G140 W188H60-H137 AromaticContact CD2-CD2 3.99Å; F64-H137 AromaticContact CD1-ND1 3.97Å; F64-H137 HydrophobicContact CE1-CB 3.78Å; F64-H137 AromaticContact CE1-CG 3.81Å; F64-H137 AromaticContact CE1-ND1 3.78Å; T134-H137 HydrophobicContact CG2-CB 3.81Å; H137-E139 HydrophobicContact CB-CG 4.4Å; H137-E139 PolarHBondContact O-N 2.9Å; H137-G140 PolarHBondContact O-N 3.32Å; H137-W188 AromaticContact CE1-CH2 3.8Å
138H98Very high98.1Very high5 Ų516.7 Ų16.72%0.0238%0.083CC..THydrogen-bonded Turntrans-59.4-13.9-179.2-52.6-53.6000114.9G140 Y182 S184 F186 E187 W188 D230H138-G140 PolarHBondContact O-N 3.16Å; H138-Y182 PolarHBondContact CE1-OH 3.45Å; H138-S184 WeakPolarHBondContact ND1-CB 3.32Å; H138-S184 PolarHBondContact ND1-OG 2.78Å; H138-F186 HydrophobicContact CB-CE2 4.12Å; H138-F186 HydrophobicContact CB-CZ 4.41Å; H138-F186 AromaticContact CE1-CE1 3.21Å; H138-F186 WeakPolarHBondContact CE1-CE1 3.03Å; H138-F186 AromaticContact CE1-CZ 3.23Å; H138-F186 WeakPolarHBondContact CE1-CZ 3.23Å; H138-F186 AromaticContact CG-CE2 3.85Å; H138-F186 AromaticContact CG-CZ 3.64Å; H138-F186 AromaticContact ND1-CD1 3.82Å; H138-F186 AromaticContact ND1-CE1 3.22Å; H138-F186 WeakPolarHBondContact ND1-CE1 3.45Å; H138-F186 AromaticContact ND1-CE2 3.57Å; H138-F186 AromaticContact ND1-CZ 3.08Å; H138-F186 WeakPolarHBondContact ND1-CZ 3.44Å; H138-F186 AromaticContact NE2-CZ 3.8Å; H138-E187 VanDerWaalsContact O-CA 3.28Å; H138-E187 WeakPolarHBondContact O-CA 3.35Å; H138-W188 HydrophobicContact CB-CD2 3.71Å; H138-W188 HydrophobicContact CB-CE3 4.17Å; H138-W188 HydrophobicContact CB-CG 4.27Å; H138-W188 HydrophobicContact CB-CH2 3.91Å; H138-W188 HydrophobicContact CB-CZ2 3.46Å; H138-W188 VanDerWaalsContact CB-CZ2 3.46Å; H138-W188 HydrophobicContact CB-CZ3 4.25Å; H138-W188 AromaticContact CD2-CZ2 3.77Å; H138-W188 AromaticContact CG-CZ2 3.99Å; H138-W188 PolarHBondContact O-N 2.86Å; H138-D230 IonicContact CE1-OD1 2.73Å; H138-D230 IonicContact CE1-OD2 3.1Å; H138-D230 PolarHBondContact CE1-OD2 3.28Å; H138-D230 IonicContact NE2-OD2 2.83Å
139E97.5Very high97.8Very high4 Ų416.8 Ų16.82%0.0198%0.084CC..THydrogen-bonded Turntrans-74.2-8.7170.870-176.9177.900113.6V63 F64 W75 Y102 H137 F141 W152 W188V63-E139 PolarHBondContact N-OE1 3.18Å; F64-E139 WeakPolarHBondContact CD1-OE1 3.43Å; F64-E139 PolarHBondContact N-OE2 3.34Å; W75-E139 HydrophobicContact CE3-CB 3.76Å; W75-E139 HydrophobicContact CZ3-CB 4.11Å; W75-E139 WeakPolarHBondContact CZ3-O 3.33Å; Y102-E139 HydrophobicContact CE1-CB 4.18Å; Y102-E139 WeakPolarHBondContact CE1-OE2 3.3Å; Y102-E139 VanDerWaalsContact CZ-OE2 3.23Å; Y102-E139 PolarHBondContact OH-OE2 2.99Å; H137-E139 HydrophobicContact CB-CG 4.4Å; H137-E139 PolarHBondContact O-N 2.9Å; E139-F141 VanDerWaalsContact C-N 3.26Å; E139-F141 HydrophobicContact CG-CB 4.04Å; E139-F141 PolarHBondContact O-N 3.1Å; E139-W152 PolarHBondContact O-NE1 2.8Å; E139-W188 HydrophobicContact CB-CZ3 4.21Å
140G98Very high97.4Very high0 Ų020.1 Ų20.10%010%0.097CC..  trans77.6-0.4176.200000115.8H137 H138 C142 W152 E187H137-G140 PolarHBondContact O-N 3.32Å; H138-G140 PolarHBondContact O-N 3.16Å; G140-C142 PolarHBondContact O-N 2.74Å; G140-W152 VanDerWaalsContact C-CD1 3.42Å; G140-W152 VanDerWaalsContact O-CD1 3.27Å; G140-E187 VanDerWaalsContact CA-CD 3.44Å
141F98.5Very high97.1Very high1 Ų125.6 Ų25.60%0.00412%0.122CC..  trans-73.7122.7177.8-172.4-93000110.5V63 A106 F109 E139 W152 S154 I157V63-F141 HydrophobicContact CG2-CB 3.97Å; V63-F141 HydrophobicContact CG2-CD1 3.9Å; V63-F141 HydrophobicContact CG2-CD2 3.51Å; V63-F141 HydrophobicContact CG2-CE1 4.22Å; V63-F141 HydrophobicContact CG2-CE2 3.86Å; V63-F141 HydrophobicContact CG2-CG 3.51Å; V63-F141 HydrophobicContact CG2-CZ 4.19Å; A106-F141 HydrophobicContact CB-CE2 4.24Å; F109-F141 AromaticContact CD1-CE1 3.84Å; F109-F141 HydrophobicContact CD1-CE1 3.84Å; F109-F141 HydrophobicContact CD1-CZ 4.02Å; F109-F141 AromaticContact CE1-CE1 3.85Å; F109-F141 HydrophobicContact CE1-CE1 3.85Å; F109-F141 HydrophobicContact CE1-CZ 4.44Å; E139-F141 VanDerWaalsContact C-N 3.26Å; E139-F141 HydrophobicContact CG-CB 4.04Å; E139-F141 PolarHBondContact O-N 3.1Å; F141-W152 HydrophobicContact CB-CZ2 4.38Å; F141-W152 AromaticContact CD2-CD2 3.94Å; F141-W152 HydrophobicContact CD2-CD2 3.94Å; F141-W152 AromaticContact CD2-CE2 4Å; F141-W152 HydrophobicContact CD2-CE3 4.26Å; F141-W152 HydrophobicContact CD2-CG 4.24Å; F141-W152 HydrophobicContact CD2-CZ2 4.34Å; F141-S154 VanDerWaalsContact CZ-N 3.35Å; F141-I157 HydrophobicContact CE2-CG2 3.85Å
142C98.7Very high97Very high0 Ų027.6 Ų27.60%013%0.13CC..BIsolated β-bridgetrans-92125.2179.6-66.10000111.4A135 G140 W144 W152 N153 S154 E214A135-C142 CarbonylContact O-C 3.53Å; A135-C142 WeakPolarHBondContact O-CA 2.9Å; G140-C142 PolarHBondContact O-N 2.74Å; C142-W144 HydrophobicContact CB-CD2 4.08Å; C142-W144 HydrophobicContact CB-CE3 3.63Å; C142-W144 HydrophobicContact CB-CH2 4.09Å; C142-W144 HydrophobicContact CB-CZ3 3.63Å; C142-W144 PolarHBondContact O-N 3.5Å; C142-W144 VanDerWaalsContact SG-CH2 3.59Å; C142-W152 PolarHBondContact N-O 3.43Å; C142-N153 HydrophobicContact CB-CB 3.91Å; C142-N153 CarbonylContact O-C 3.04Å; C142-N153 WeakPolarHBondContact O-CA 3.45Å; C142-N153 VanDerWaalsContact O-CB 3.29Å; C142-N153 WeakPolarHBondContact O-CB 3.24Å; C142-S154 PolarHBondContact O-N 3.25Å; C142-E214 PolarHBondContact SG-OE1 2.83Å
143N98.8Very high97Very high1 Ų127.7 Ų27.71%0.00513%0.13CC..SBendtrans-76.620.4175-77.1-34.9000113.8W61 T134 A135 S154 L163 V164W61-N143 PolarHBondContact O-ND2 2.83Å; T134-N143 PolarHBondContact O-ND2 3.01Å; A135-N143 PolarHBondContact O-N 3.24Å; N143-S154 WeakPolarHBondContact CA-OG 3.27Å; N143-S154 PolarHBondContact O-OG 3.11Å; N143-L163 HydrophobicContact CB-CB 4.25Å; N143-L163 HydrophobicContact CB-CD1 4.24Å; N143-L163 WeakPolarHBondContact O-CB 3.18Å; N143-L163 PolarHBondContact O-N 3.41Å; N143-V164 HydrophobicContact CB-CG2 3.99Å; N143-V164 WeakPolarHBondContact O-CG2 3.3Å; N143-V164 PolarHBondContact O-N 3.34Å; N143-V164 VanDerWaalsContact O-N 3.08Å
144W98.6Very high97Very high0 Ų027.6 Ų27.60%013%0.13CC..SBendtrans-150.5162.5179.686.894.2000110A135 K136 C142 S146 N153 S154 D162 V164 E214 D217 L218 Y222A135-W144 HydrophobicContact CB-CE3 3.78Å; A135-W144 HydrophobicContact CB-CH2 4.48Å; A135-W144 HydrophobicContact CB-CZ3 3.53Å; A135-W144 VanDerWaalsContact O-CZ3 3.27Å; A135-W144 WeakPolarHBondContact O-CZ3 3.25Å; K136-W144 HydrophobicContact CB-CH2 4.41Å; K136-W144 HydrophobicContact CB-CZ3 4.06Å; C142-W144 HydrophobicContact CB-CD2 4.08Å; C142-W144 HydrophobicContact CB-CE3 3.63Å; C142-W144 HydrophobicContact CB-CH2 4.09Å; C142-W144 HydrophobicContact CB-CZ3 3.63Å; C142-W144 PolarHBondContact O-N 3.5Å; C142-W144 VanDerWaalsContact SG-CH2 3.59Å; W144-S146 PolarHBondContact O-N 2.83Å; W144-N153 VanDerWaalsContact O-CB 3.31Å; W144-N153 WeakPolarHBondContact O-CB 3.45Å; W144-S154 PolarHBondContact N-OG 2.79Å; W144-D162 WeakPolarHBondContact CB-OD1 3.46Å; W144-V164 HydrophobicContact CB-CB 3.94Å; W144-V164 HydrophobicContact CB-CG2 3.91Å; W144-V164 HydrophobicContact CE3-CG2 4.34Å; W144-E214 HydrophobicContact CH2-CB 4.11Å; W144-E214 HydrophobicContact CH2-CG 4.27Å; W144-E214 HydrophobicContact CZ2-CB 3.93Å; W144-E214 HydrophobicContact CZ2-CG 4.05Å; W144-D217 PolarHBondContact NE1-OD2 3.13Å; W144-L218 HydrophobicContact CD2-CD2 3.67Å; W144-L218 HydrophobicContact CD2-CG 4.41Å; W144-L218 HydrophobicContact CE3-CD2 3.78Å; W144-L218 HydrophobicContact CG-CD2 4.31Å; W144-L218 HydrophobicContact CH2-CD1 3.63Å; W144-L218 HydrophobicContact CH2-CD2 3.93Å; W144-L218 HydrophobicContact CH2-CG 3.78Å; W144-L218 HydrophobicContact CZ2-CD1 3.96Å; W144-L218 HydrophobicContact CZ2-CD2 3.8Å; W144-L218 HydrophobicContact CZ2-CG 3.58Å; W144-L218 HydrophobicContact CZ3-CD1 4.05Å; W144-L218 HydrophobicContact CZ3-CD2 3.91Å; W144-L218 HydrophobicContact CZ3-CG 4.24Å; W144-Y222 HydrophobicContact CB-CE2 3.91Å; W144-Y222 WeakPolarHBondContact CB-OH 3.42Å; W144-Y222 AromaticContact CD1-CE2 3.77Å; W144-Y222 AromaticContact CG-CE2 3.83Å; W144-Y222 HydrophobicContact CG-CE2 3.83Å
145P97.9Very high96.9Very high35 Ų3531 Ų3123%0.22715%0.147CC..  trans-70.968.1-179.427.4-32.2000113I147 M155P145-I147 PolarHBondContact O-N 3.29Å; P145-M155 HydrophobicContact CB-CB 3.83Å; P145-M155 HydrophobicContact CB-CG 3.69Å; P145-M155 HydrophobicContact CG-CG 3.91Å
146S97.5Very high96.9Very high4 Ų434.5 Ų34.53%0.02817%0.165CC..  trans-70.6124.4175.2176.20000110.6W144 T148 S149W144-S146 PolarHBondContact O-N 2.83Å; S146-T148 VanDerWaalsContact C-N 3.28Å; S146-T148 PolarHBondContact O-N 3.27Å; S146-T148 PolarHBondContact OG-N 2.92Å; S146-T148 PolarHBondContact OG-OG1 3.04Å; S146-T148 VanDerWaalsContact OG-OG1 3.11Å; S146-S149 CarbonylContact O-C 3.56Å; S146-S149 PolarHBondContact O-N 3.19Å
147I93.5Very high96.8Very high143 Ų14336.3 Ų36.373%0.73318%0.175SC*.G310 helixtrans-67.3-30179.3-61.2169.5000111.4P145 S149P145-I147 PolarHBondContact O-N 3.29Å; I147-S149 VanDerWaalsContact C-N 3.31Å
148T94.8Very high96.7Very high46 Ų4636.8 Ų36.828%0.28218%0.18SC..G310 helixtrans-87.1-1.5179.953.70000113.5S146 Q209 K210 P213 E214S146-T148 VanDerWaalsContact C-N 3.28Å; S146-T148 PolarHBondContact O-N 3.27Å; S146-T148 PolarHBondContact OG-N 2.92Å; S146-T148 PolarHBondContact OG-OG1 3.04Å; S146-T148 VanDerWaalsContact OG-OG1 3.11Å; T148-Q209 WeakPolarHBondContact CG2-O 3.49Å; T148-K210 PolarHBondContact O-NZ 3.38Å; T148-K210 VanDerWaalsContact O-NZ 3.11Å; T148-P213 HydrophobicContact CG2-CB 3.84Å; T148-P213 HydrophobicContact CG2-CG 4.41Å; T148-E214 WeakPolarHBondContact OG1-CG 3.32Å; T148-E214 PolarHBondContact OG1-OE1 2.88Å
149S94.3Very high96.7Very high2 Ų237.6 Ų37.61%0.01419%0.186CC..G310 helixtrans-126.240.6174.9-68.90000110.6S146 I147 Q151 W152 N153 K210 E214S146-S149 CarbonylContact O-C 3.56Å; S146-S149 PolarHBondContact O-N 3.19Å; I147-S149 VanDerWaalsContact C-N 3.31Å; S149-Q151 PolarHBondContact O-N 3.27Å; S149-W152 CarbonylContact O-C 3.52Å; S149-W152 VanDerWaalsContact O-C 3.24Å; S149-W152 WeakPolarHBondContact O-CA 3.23Å; S149-W152 PolarHBondContact O-N 2.89Å; S149-N153 PolarHBondContact O-ND2 3.27Å; S149-K210 WeakPolarHBondContact OG-CE 3.1Å; S149-K210 PolarHBondContact OG-NZ 3.02Å; S149-E214 PolarHBondContact OG-OE1 3.3Å
150W88.3Confident96.7Very high176 Ų17642.5 Ų42.567%0.66721%0.212SC*.THydrogen-bonded Turntrans-53.2136.4174.2-177.271.5000111.2W152 D156W150-W152 PolarHBondContact O-N 3.07Å; W150-W152 VanDerWaalsContact O-N 3.1Å; W150-D156 WeakPolarHBondContact CA-OD2 3.4Å
151Q93.7Very high96.7Very high115 Ų11545.7 Ų45.754%0.53722%0.224SC..THydrogen-bonded Turntrans62.4-1-170.7-66.6-179.8-21.200116.4S149 D156 I157S149-Q151 PolarHBondContact O-N 3.27Å; Q151-D156 PolarHBondContact N-OD2 3.04Å; Q151-I157 WeakPolarHBondContact O-CG2 3.43Å
152W97.4Very high96.7Very high43 Ų4347.2 Ų47.216%0.16323%0.232CC..SBendtrans-129.247.7178.4-159.8-118.2000111V63 Y102 A103 A106 E139 G140 F141 C142 S149 W150V63-W152 HydrophobicContact CG2-CH2 4.48Å; Y102-W152 HydrophobicContact CD1-CH2 4.29Å; Y102-W152 HydrophobicContact CD1-CZ2 4.19Å; Y102-W152 HydrophobicContact CE1-CZ2 4.36Å; A103-W152 HydrophobicContact CB-CH2 4.21Å; A103-W152 HydrophobicContact CB-CZ3 3.85Å; A106-W152 HydrophobicContact CB-CE3 4.27Å; A106-W152 HydrophobicContact CB-CH2 3.9Å; A106-W152 HydrophobicContact CB-CZ3 3.46Å; A106-W152 VanDerWaalsContact CB-CZ3 3.46Å; E139-W152 PolarHBondContact O-NE1 2.8Å; G140-W152 VanDerWaalsContact C-CD1 3.42Å; G140-W152 VanDerWaalsContact O-CD1 3.27Å; F141-W152 HydrophobicContact CB-CZ2 4.38Å; F141-W152 AromaticContact CD2-CD2 3.94Å; F141-W152 HydrophobicContact CD2-CD2 3.94Å; F141-W152 AromaticContact CD2-CE2 4Å; F141-W152 HydrophobicContact CD2-CE3 4.26Å; F141-W152 HydrophobicContact CD2-CG 4.24Å; F141-W152 HydrophobicContact CD2-CZ2 4.34Å; C142-W152 PolarHBondContact N-O 3.43Å; S149-W152 CarbonylContact O-C 3.52Å; S149-W152 VanDerWaalsContact O-C 3.24Å; S149-W152 WeakPolarHBondContact O-CA 3.23Å; S149-W152 PolarHBondContact O-N 2.89Å; W150-W152 PolarHBondContact O-N 3.07Å; W150-W152 VanDerWaalsContact O-N 3.1Å
153N98.3Very high96.7Very high1 Ų147.2 Ų47.21%0.00523%0.232CC..BIsolated β-bridgetrans-147.7162.6177.369.873.9000111.7C142 W144 S149 M155 D156 I157C142-N153 HydrophobicContact CB-CB 3.91Å; C142-N153 CarbonylContact O-C 3.04Å; C142-N153 WeakPolarHBondContact O-CA 3.45Å; C142-N153 VanDerWaalsContact O-CB 3.29Å; C142-N153 WeakPolarHBondContact O-CB 3.24Å; W144-N153 VanDerWaalsContact O-CB 3.31Å; W144-N153 WeakPolarHBondContact O-CB 3.45Å; S149-N153 PolarHBondContact O-ND2 3.27Å; N153-M155 PolarHBondContact O-N 3.34Å; N153-M155 WeakPolarHBondContact OD1-CA 3.49Å; N153-M155 WeakPolarHBondContact OD1-CB 3.33Å; N153-M155 PolarHBondContact OD1-N 2.79Å; N153-D156 VanDerWaalsContact ND2-CG 3.32Å; N153-D156 PolarHBondContact ND2-OD2 3.18Å; N153-D156 PolarHBondContact O-N 3.04Å; N153-D156 PolarHBondContact OD1-N 3.13Å; N153-I157 PolarHBondContact O-N 3.29Å; N153-I157 VanDerWaalsContact O-N 3.13Å
154S98.3Very high96.7Very high0 Ų047.1 Ų47.10%023%0.232CC..THydrogen-bonded Turntrans-66.9-16.7-173.467.20000114.9F141 C142 N143 W144 P159 N160 R161F141-S154 VanDerWaalsContact CZ-N 3.35Å; C142-S154 PolarHBondContact O-N 3.25Å; N143-S154 WeakPolarHBondContact CA-OG 3.27Å; N143-S154 PolarHBondContact O-OG 3.11Å; W144-S154 PolarHBondContact N-OG 2.79Å; S154-P159 WeakPolarHBondContact O-CD 3.23Å; S154-P159 WeakPolarHBondContact O-CG 3.4Å; S154-N160 CarbonylContact O-C 3.55Å; S154-N160 VanDerWaalsContact O-CA 3.23Å; S154-N160 WeakPolarHBondContact O-CA 3.3Å; S154-N160 PolarHBondContact O-N 3.49Å; S154-R161 CarbonylContact C-O 3.37Å; S154-R161 WeakPolarHBondContact CB-O 3.37Å; S154-R161 PolarHBondContact O-N 3.02Å; S154-R161 PolarHBondContact OG-O 2.85Å
155M97.5Very high96.7Very high72 Ų7247.5 Ų47.536%0.35524%0.236SC..THydrogen-bonded Turntrans-86.4-34.5175.7-80-69.7-58.100112.6P145 N153 N160 R161 D162P145-M155 HydrophobicContact CB-CB 3.83Å; P145-M155 HydrophobicContact CB-CG 3.69Å; P145-M155 HydrophobicContact CG-CG 3.91Å; N153-M155 PolarHBondContact O-N 3.34Å; N153-M155 WeakPolarHBondContact OD1-CA 3.49Å; N153-M155 WeakPolarHBondContact OD1-CB 3.33Å; N153-M155 PolarHBondContact OD1-N 2.79Å; M155-N160 WeakPolarHBondContact O-CA 3.37Å; M155-N160 PolarHBondContact O-OD1 2.88Å; M155-R161 WeakPolarHBondContact SD-CA 3.43Å; M155-R161 PolarHBondContact SD-N 3.34Å; M155-R161 VanDerWaalsContact SD-N 3.39Å; M155-D162 HydrophobicContact CG-CB 4.25Å; M155-D162 HydrophobicContact SD-CB 4.14Å; M155-D162 PolarHBondContact SD-N 3.19Å
156D97.4Very high96.7Very high73 Ų7348.3 Ų48.339%0.3924%0.238SC..THydrogen-bonded Turntrans-86.4-28.4-177.6-68.6-16.4000113.2W150 Q151 N153W150-D156 WeakPolarHBondContact CA-OD2 3.4Å; Q151-D156 PolarHBondContact N-OD2 3.04Å; N153-D156 VanDerWaalsContact ND2-CG 3.32Å; N153-D156 PolarHBondContact ND2-OD2 3.18Å; N153-D156 PolarHBondContact O-N 3.04Å; N153-D156 PolarHBondContact OD1-N 3.13Å
157I97.5Very high96.8Very high38 Ų3848.1 Ų48.120%0.19524%0.237CC..SBendtrans-148.8145.8-177.6-168.1168.3000111.3A106 K107 F141 Q151 N153 P159A106-I157 HydrophobicContact CB-CD1 4.03Å; A106-I157 HydrophobicContact CB-CG1 4.27Å; A106-I157 HydrophobicContact CB-CG2 4.05Å; K107-I157 HydrophobicContact CG-CD1 3.77Å; K107-I157 HydrophobicContact CG-CG1 4.13Å; F141-I157 HydrophobicContact CE2-CG2 3.85Å; Q151-I157 WeakPolarHBondContact O-CG2 3.43Å; N153-I157 PolarHBondContact O-N 3.29Å; N153-I157 VanDerWaalsContact O-N 3.13Å; I157-P159 WeakPolarHBondContact O-CD 3.4Å
158G96.9Very high97Very high13 Ų1341.3 Ų41.313%0.13420%0.202CC..SBendtrans88-108.5-178.800000111.3A106 F109 N160A106-G158 VanDerWaalsContact O-CA 3.23Å; A106-G158 WeakPolarHBondContact O-CA 2.94Å; F109-G158 CarbonylContact O-C 3.58Å; F109-G158 WeakPolarHBondContact O-CA 3.39Å; G158-N160 VanDerWaalsContact C-N 3.32Å; G158-N160 PolarHBondContact O-N 2.82Å; G158-N160 PolarHBondContact O-ND2 2.9Å; G158-N160 VanDerWaalsContact O-ND2 3.16Å
159P96.9Very high97.2Very high22 Ų2243.4 Ų43.414%0.14322%0.215CC..SBendtrans-80.5-12.7-170.332.9-32.4000113.7F109 H110 A111 S154 I157 R161 L163F109-P159 HydrophobicContact CD1-CG 4.28Å; F109-P159 HydrophobicContact CE1-CG 4.32Å; F109-P159 WeakPolarHBondContact O-CD 3.31Å; F109-P159 VanDerWaalsContact O-N 3.13Å; H110-P159 WeakPolarHBondContact O-CA 3.41Å; H110-P159 VanDerWaalsContact O-CB 3.28Å; H110-P159 WeakPolarHBondContact O-CB 3.49Å; A111-P159 HydrophobicContact CB-CB 3.66Å; A111-P159 HydrophobicContact CB-CG 4.38Å; S154-P159 WeakPolarHBondContact O-CD 3.23Å; S154-P159 WeakPolarHBondContact O-CG 3.4Å; I157-P159 WeakPolarHBondContact O-CD 3.4Å; P159-R161 VanDerWaalsContact C-N 3.25Å; P159-R161 HydrophobicContact CB-CB 4.17Å; P159-R161 HydrophobicContact CG-CB 4.48Å; P159-R161 PolarHBondContact O-N 2.95Å; P159-L163 HydrophobicContact CB-CD2 4.5Å; P159-L163 HydrophobicContact CG-CD1 4.13Å; P159-L163 HydrophobicContact CG-CD2 4.31Å; P159-L163 HydrophobicContact CG-CG 4.45Å
160N97.4Very high97.4Very high107 Ų10743.5 Ų43.557%0.57222%0.215SC*.  trans52.144.8-174-55.1-80.4000111.9S154 M155 G158S154-N160 CarbonylContact O-C 3.55Å; S154-N160 VanDerWaalsContact O-CA 3.23Å; S154-N160 WeakPolarHBondContact O-CA 3.3Å; S154-N160 PolarHBondContact O-N 3.49Å; M155-N160 WeakPolarHBondContact O-CA 3.37Å; M155-N160 PolarHBondContact O-OD1 2.88Å; G158-N160 VanDerWaalsContact C-N 3.32Å; G158-N160 PolarHBondContact O-N 2.82Å; G158-N160 PolarHBondContact O-ND2 2.9Å; G158-N160 VanDerWaalsContact O-ND2 3.16Å
161R97.5Very high97.9Very high67 Ų6735.1 Ų35.125%0.25318%0.184SC..SBendtrans-146142-167.9-164.8171.1-179.4-173.7-5112.8F114 S154 M155 P159 L163 D166F114-R161 PolarHBondContact O-NH1 3.37Å; S154-R161 CarbonylContact C-O 3.37Å; S154-R161 WeakPolarHBondContact CB-O 3.37Å; S154-R161 PolarHBondContact O-N 3.02Å; S154-R161 PolarHBondContact OG-O 2.85Å; M155-R161 WeakPolarHBondContact SD-CA 3.43Å; M155-R161 PolarHBondContact SD-N 3.34Å; M155-R161 VanDerWaalsContact SD-N 3.39Å; P159-R161 VanDerWaalsContact C-N 3.25Å; P159-R161 HydrophobicContact CB-CB 4.17Å; P159-R161 HydrophobicContact CG-CB 4.48Å; P159-R161 PolarHBondContact O-N 2.95Å; R161-L163 HydrophobicContact CB-CD2 3.97Å; R161-L163 HydrophobicContact CG-CD2 4.06Å; R161-L163 PolarHBondContact O-N 2.91Å; R161-D166 IonicContact CZ-OD2 2.89Å; R161-D166 IonicContact NE-OD2 3.57Å; R161-D166 PolarHBondContact NE-OD2 2.98Å; R161-D166 IonicContact NH2-OD2 3.77Å; R161-D166 PolarHBondContact NH2-OD2 3Å
162D98.5Very high98.2Very high33 Ų3334.7 Ų34.718%0.17618%0.177CC..  trans-84.186.7173.5-178.82000108.8W144 M155 V164 G165 D166 Y222W144-D162 WeakPolarHBondContact CB-OD1 3.46Å; M155-D162 HydrophobicContact CG-CB 4.25Å; M155-D162 HydrophobicContact SD-CB 4.14Å; M155-D162 PolarHBondContact SD-N 3.19Å; D162-V164 VanDerWaalsContact C-N 3.33Å; D162-V164 PolarHBondContact O-N 2.81Å; D162-G165 PolarHBondContact O-N 2.88Å; D162-G165 PolarHBondContact OD1-N 3.24Å; D162-D166 VanDerWaalsContact O-CB 3.31Å; D162-D166 WeakPolarHBondContact O-CB 2.95Å; D162-D166 PolarHBondContact O-N 3.49Å; D162-Y222 PolarHBondContact OD1-OH 2.8Å; D162-Y222 PolarHBondContact OD2-OH 2.88Å
163L98.8Very high98.2Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-68.1-36.6-172.4-52.8172.2000111.3W61 F109 A111 F114 N143 P159 R161 L167W61-L163 HydrophobicContact CE3-CD1 4.09Å; W61-L163 HydrophobicContact CH2-CD1 3.89Å; W61-L163 HydrophobicContact CH2-CD2 3.99Å; W61-L163 HydrophobicContact CH2-CG 4.45Å; W61-L163 HydrophobicContact CZ3-CB 4.06Å; W61-L163 HydrophobicContact CZ3-CD1 3.56Å; W61-L163 HydrophobicContact CZ3-CD2 3.97Å; W61-L163 HydrophobicContact CZ3-CG 4.06Å; F109-L163 HydrophobicContact CE1-CD1 3.75Å; F109-L163 HydrophobicContact CZ-CD1 4.01Å; A111-L163 HydrophobicContact CB-CD2 4.22Å; F114-L163 HydrophobicContact CD1-CD2 3.61Å; F114-L163 HydrophobicContact CE1-CB 4.39Å; F114-L163 HydrophobicContact CE1-CD2 3.78Å; N143-L163 HydrophobicContact CB-CB 4.25Å; N143-L163 HydrophobicContact CB-CD1 4.24Å; N143-L163 WeakPolarHBondContact O-CB 3.18Å; N143-L163 PolarHBondContact O-N 3.41Å; P159-L163 HydrophobicContact CB-CD2 4.5Å; P159-L163 HydrophobicContact CG-CD1 4.13Å; P159-L163 HydrophobicContact CG-CD2 4.31Å; P159-L163 HydrophobicContact CG-CG 4.45Å; R161-L163 HydrophobicContact CB-CD2 3.97Å; R161-L163 HydrophobicContact CG-CD2 4.06Å; R161-L163 PolarHBondContact O-N 2.91Å; L163-L167 WeakPolarHBondContact O-CB 3.13Å; L163-L167 PolarHBondContact O-N 2.96Å; L163-L167 VanDerWaalsContact O-N 3.14Å
164V98.9Very high98.2Very high0 Ų046 Ų460%022%0.224CC..Hα-helixtrans-65-49.8174.9179.10000110.4L133 A135 N143 W144 D162 D166 L167 A168 F179 V181 Y222L133-V164 HydrophobicContact CD2-CB 4.41Å; L133-V164 HydrophobicContact CD2-CG2 3.93Å; A135-V164 HydrophobicContact CB-CG2 4.07Å; N143-V164 HydrophobicContact CB-CG2 3.99Å; N143-V164 WeakPolarHBondContact O-CG2 3.3Å; N143-V164 PolarHBondContact O-N 3.34Å; N143-V164 VanDerWaalsContact O-N 3.08Å; W144-V164 HydrophobicContact CB-CB 3.94Å; W144-V164 HydrophobicContact CB-CG2 3.91Å; W144-V164 HydrophobicContact CE3-CG2 4.34Å; D162-V164 VanDerWaalsContact C-N 3.33Å; D162-V164 PolarHBondContact O-N 2.81Å; V164-D166 PolarHBondContact O-N 2.89Å; V164-L167 PolarHBondContact O-N 2.97Å; V164-A168 WeakPolarHBondContact O-CB 3.31Å; V164-A168 PolarHBondContact O-N 3.31Å; V164-F179 HydrophobicContact CG1-CE1 4.15Å; V164-F179 HydrophobicContact CG1-CZ 3.91Å; V164-V181 HydrophobicContact CG1-CG1 4.15Å; V164-Y222 HydrophobicContact CB-CD2 4.36Å; V164-Y222 HydrophobicContact CB-CE1 4.4Å; V164-Y222 HydrophobicContact CB-CE2 4.04Å; V164-Y222 HydrophobicContact CG1-CD1 3.96Å; V164-Y222 HydrophobicContact CG1-CD2 3.45Å; V164-Y222 VanDerWaalsContact CG1-CD2 3.45Å; V164-Y222 HydrophobicContact CG1-CE1 4.14Å; V164-Y222 HydrophobicContact CG1-CE2 3.62Å; V164-Y222 HydrophobicContact CG1-CG 3.63Å
165G98.8Very high98.2Very high7 Ų746.8 Ų46.87%0.07223%0.229CC..Hα-helixtrans-61.9-42.3-179.600000113.5D162 A168 T169D162-G165 PolarHBondContact O-N 2.88Å; D162-G165 PolarHBondContact OD1-N 3.24Å; G165-A168 PolarHBondContact O-N 2.87Å; G165-T169 VanDerWaalsContact O-CB 3.3Å; G165-T169 WeakPolarHBondContact O-CB 3.38Å; G165-T169 PolarHBondContact O-N 2.91Å; G165-T169 PolarHBondContact O-OG1 2.73Å
166D98.8Very high98.2Very high52 Ų5251.5 Ų51.528%0.27825%0.248SC..Hα-helixtrans-65.8-45.9179.7-84.78.9000112.3F114 P116 R161 D162 V164 S170F114-D166 HydrophobicContact CE1-CB 4.13Å; P116-D166 HydrophobicContact CB-CB 4.37Å; P116-D166 HydrophobicContact CG-CB 4.17Å; R161-D166 IonicContact CZ-OD2 2.89Å; R161-D166 IonicContact NE-OD2 3.57Å; R161-D166 PolarHBondContact NE-OD2 2.98Å; R161-D166 IonicContact NH2-OD2 3.77Å; R161-D166 PolarHBondContact NH2-OD2 3Å; D162-D166 VanDerWaalsContact O-CB 3.31Å; D162-D166 WeakPolarHBondContact O-CB 2.95Å; D162-D166 PolarHBondContact O-N 3.49Å; V164-D166 PolarHBondContact O-N 2.89Å; D166-S170 WeakPolarHBondContact O-CB 3.43Å; D166-S170 PolarHBondContact O-N 3.16Å
167L98.9Very high98.2Very high0 Ų048.5 Ų48.50%023%0.232CC..Hα-helixtrans-66.4-45.3176.5-173.961.7000111.1I59 F114 P116 W119 F123 L133 L163 V164 T169 S170 I171 F179I59-L167 HydrophobicContact CD1-CD2 3.79Å; F114-L167 HydrophobicContact CZ-CB 4.36Å; P116-L167 HydrophobicContact CB-CD1 4.5Å; W119-L167 HydrophobicContact CB-CD1 4.11Å; W119-L167 HydrophobicContact CE3-CD1 4.27Å; W119-L167 HydrophobicContact CE3-CD2 4.3Å; F123-L167 HydrophobicContact CE2-CD1 4.5Å; L133-L167 HydrophobicContact CB-CD2 4.09Å; L133-L167 HydrophobicContact CD1-CD2 4.48Å; L133-L167 HydrophobicContact CD2-CB 4.49Å; L133-L167 HydrophobicContact CD2-CD2 3.97Å; L133-L167 HydrophobicContact CG-CD2 4.4Å; L163-L167 WeakPolarHBondContact O-CB 3.13Å; L163-L167 PolarHBondContact O-N 2.96Å; L163-L167 VanDerWaalsContact O-N 3.14Å; V164-L167 PolarHBondContact O-N 2.97Å; L167-T169 VanDerWaalsContact C-N 3.29Å; L167-T169 PolarHBondContact O-N 2.93Å; L167-S170 PolarHBondContact O-N 2.82Å; L167-I171 HydrophobicContact CD1-CD1 4.37Å; L167-I171 HydrophobicContact CD1-CG1 3.97Å; L167-I171 HydrophobicContact CG-CG1 4.09Å; L167-I171 WeakPolarHBondContact O-CB 3.24Å; L167-I171 WeakPolarHBondContact O-CG1 3.4Å; L167-I171 PolarHBondContact O-N 3.3Å; L167-F179 HydrophobicContact CB-CE2 4.37Å; L167-F179 HydrophobicContact CD2-CE2 4.23Å; L167-F179 HydrophobicContact CG-CE2 4.17Å
168A98.9Very high98.3Very high1 Ų150.2 Ų50.21%0.00824%0.236CC..Hα-helixtrans-58.4-42.5179.200000112.1V164 G165 R172 F179V164-A168 WeakPolarHBondContact O-CB 3.31Å; V164-A168 PolarHBondContact O-N 3.31Å; G165-A168 PolarHBondContact O-N 2.87Å; A168-R172 WeakPolarHBondContact O-CB 3.47Å; A168-R172 VanDerWaalsContact O-CG 3.32Å; A168-R172 WeakPolarHBondContact O-CG 3.22Å; A168-R172 PolarHBondContact O-N 2.8Å; A168-F179 HydrophobicContact CB-CD1 3.65Å; A168-F179 HydrophobicContact CB-CD2 4.02Å; A168-F179 HydrophobicContact CB-CE1 3.55Å; A168-F179 HydrophobicContact CB-CE2 3.92Å; A168-F179 HydrophobicContact CB-CG 3.89Å; A168-F179 HydrophobicContact CB-CZ 3.68Å
169T98.9Very high98.4Very high90 Ų9049.6 Ų49.655%0.55223%0.229SC*.Hα-helixtrans-64.2-47.6177.2-61.90000110.9G165 L167 R172 K173G165-T169 VanDerWaalsContact O-CB 3.3Å; G165-T169 WeakPolarHBondContact O-CB 3.38Å; G165-T169 PolarHBondContact O-N 2.91Å; G165-T169 PolarHBondContact O-OG1 2.73Å; L167-T169 VanDerWaalsContact C-N 3.29Å; L167-T169 PolarHBondContact O-N 2.93Å; T169-R172 PolarHBondContact O-N 2.62Å; T169-K173 VanDerWaalsContact O-CB 3.26Å; T169-K173 WeakPolarHBondContact O-CB 3.42Å; T169-K173 PolarHBondContact O-N 3.39Å
170S98.8Very high98.5Very high3 Ų348.6 Ų48.62%0.02122%0.223CC..Hα-helixtrans-64.8-45.4-178.5-170.50000112.5P116 D117 D166 L167 R172 K173 R174P116-S170 PolarHBondContact O-OG 2.83Å; D117-S170 WeakPolarHBondContact CA-OG 3.38Å; D117-S170 PolarHBondContact N-OG 3.32Å; D117-S170 WeakPolarHBondContact OD1-CB 3.27Å; D117-S170 PolarHBondContact OD1-OG 2.89Å; D166-S170 WeakPolarHBondContact O-CB 3.43Å; D166-S170 PolarHBondContact O-N 3.16Å; L167-S170 PolarHBondContact O-N 2.82Å; S170-R172 VanDerWaalsContact C-N 3.35Å; S170-R172 PolarHBondContact O-N 3.2Å; S170-K173 PolarHBondContact O-N 3.11Å; S170-R174 WeakPolarHBondContact O-CB 3.31Å; S170-R174 WeakPolarHBondContact O-CG 3.48Å; S170-R174 PolarHBondContact O-N 3.3Å; S170-R174 WeakPolarHBondContact OG-CD 3.02Å
171I98.8Very high98.6Very high0 Ų043.5 Ų43.50%020%0.196CC..Hα-helixtrans-55.9-49.3177.2-70.8-69.9000111A120 F123 V131 L167 K173 T175 L177 F179A120-I171 HydrophobicContact CB-CD1 3.78Å; A120-I171 HydrophobicContact CB-CG1 4.39Å; F123-I171 HydrophobicContact CD2-CD1 4.18Å; V131-I171 HydrophobicContact CG1-CD1 3.78Å; V131-I171 HydrophobicContact CG1-CG1 3.87Å; V131-I171 HydrophobicContact CG1-CG2 4.15Å; L167-I171 HydrophobicContact CD1-CD1 4.37Å; L167-I171 HydrophobicContact CD1-CG1 3.97Å; L167-I171 HydrophobicContact CG-CG1 4.09Å; L167-I171 WeakPolarHBondContact O-CB 3.24Å; L167-I171 WeakPolarHBondContact O-CG1 3.4Å; L167-I171 PolarHBondContact O-N 3.3Å; I171-K173 PolarHBondContact O-N 3.29Å; I171-T175 WeakPolarHBondContact O-CA 3.29Å; I171-T175 WeakPolarHBondContact O-CB 3.11Å; I171-T175 PolarHBondContact O-N 3.35Å; I171-T175 PolarHBondContact O-OG1 2.99Å; I171-L177 HydrophobicContact CG2-CB 3.96Å; I171-L177 WeakPolarHBondContact CG2-O 3.47Å; I171-F179 HydrophobicContact CG1-CD2 4.49Å; I171-F179 HydrophobicContact CG2-CB 4.25Å
172R98.5Very high98.6Very high107 Ų10740.4 Ų40.440%0.40418%0.184SC..Hα-helixtrans-67.8-34.8-179.7-71.8175.6177.1124.15.7113.5A168 T169 S170 Y222 K223A168-R172 WeakPolarHBondContact O-CB 3.47Å; A168-R172 VanDerWaalsContact O-CG 3.32Å; A168-R172 WeakPolarHBondContact O-CG 3.22Å; A168-R172 PolarHBondContact O-N 2.8Å; T169-R172 PolarHBondContact O-N 2.62Å; S170-R172 VanDerWaalsContact C-N 3.35Å; S170-R172 PolarHBondContact O-N 3.2Å; R172-Y222 PolarHBondContact NH1-O 3.3Å; R172-Y222 PolarHBondContact NH2-O 2.99Å; R172-K223 PolarHBondContact NH2-O 3.41Å
173K98.4Very high98.6Very high174 Ų17438.8 Ų38.876%0.75718%0.175SC*.Hα-helixtrans-76.8-36.4-177.6-176179.2176.9-175.30112.4T169 S170 I171T169-K173 VanDerWaalsContact O-CB 3.26Å; T169-K173 WeakPolarHBondContact O-CB 3.42Å; T169-K173 PolarHBondContact O-N 3.39Å; S170-K173 PolarHBondContact O-N 3.11Å; I171-K173 PolarHBondContact O-N 3.29Å
174R98.1Very high98.6Very high107 Ų10738.8 Ų38.840%0.40418%0.175SC..Hα-helixtrans-107-21.3-167.3-59.7-178.367.885.49.8114.1D117 D121 S170D117-R174 VanDerWaalsContact CG-CD 3.43Å; D117-R174 IonicContact OD2-CZ 3.6Å; D117-R174 IonicContact OD2-NE 2.78Å; D117-R174 IonicContact OD2-NH1 2.98Å; D117-R174 PolarHBondContact OD2-NH1 2.74Å; D121-R174 VanDerWaalsContact CG-NH2 3.29Å; D121-R174 IonicContact OD1-CZ 3.58Å; D121-R174 IonicContact OD1-NE 3.57Å; D121-R174 PolarHBondContact OD1-NE 3.38Å; D121-R174 IonicContact OD1-NH2 3.47Å; D121-R174 PolarHBondContact OD1-NH2 3.35Å; D121-R174 IonicContact OD2-CZ 2.92Å; D121-R174 IonicContact OD2-NE 3.99Å; D121-R174 IonicContact OD2-NH2 3.33Å; D121-R174 PolarHBondContact OD2-NH2 3.38Å; S170-R174 WeakPolarHBondContact O-CB 3.31Å; S170-R174 WeakPolarHBondContact O-CG 3.48Å; S170-R174 PolarHBondContact O-N 3.3Å; S170-R174 WeakPolarHBondContact OG-CD 3.02Å
175T98.5Very high98.6Very high16 Ų1638.8 Ų38.810%0.09818%0.175CC..  trans-129.5175.9-168.184.20000111.8A120 Q124 I171 L177A120-T175 HydrophobicContact CB-CG2 3.87Å; A120-T175 WeakPolarHBondContact O-CG2 3.22Å; Q124-T175 HydrophobicContact CB-CG2 3.96Å; I171-T175 WeakPolarHBondContact O-CA 3.29Å; I171-T175 WeakPolarHBondContact O-CB 3.11Å; I171-T175 PolarHBondContact O-N 3.35Å; I171-T175 PolarHBondContact O-OG1 2.99Å; T175-L177 HydrophobicContact CG2-CD1 4.2Å; T175-L177 WeakPolarHBondContact OG1-CB 3.23Å; T175-L177 WeakPolarHBondContact OG1-CD1 3.34Å; T175-L177 PolarHBondContact OG1-N 2.9Å
176K96.9Very high98.5Very high172 Ų17239.3 Ų39.375%0.74818%0.176SC*.SBendtrans-103.58.5168.1-61.4-177-179.61790111.7
177L98.6Very high98.5Very high9 Ų937.2 Ų37.25%0.04716%0.164CC..PPolyproline II helixtrans-70.5142.1179.5-77.279.3000109.3F123 Q124 A128 R129 V131 I171 T175F123-L177 HydrophobicContact CB-CD2 3.75Å; Q124-L177 HydrophobicContact CB-CD1 3.98Å; A128-L177 HydrophobicContact CB-CD2 4.24Å; A128-L177 WeakPolarHBondContact O-CD1 3.47Å; A128-L177 VanDerWaalsContact O-CG 3.31Å; A128-L177 WeakPolarHBondContact O-CG 3.33Å; R129-L177 WeakPolarHBondContact O-CA 3.14Å; V131-L177 HydrophobicContact CB-CD2 4.37Å; I171-L177 HydrophobicContact CG2-CB 3.96Å; I171-L177 WeakPolarHBondContact CG2-O 3.47Å; T175-L177 HydrophobicContact CG2-CD1 4.2Å; T175-L177 WeakPolarHBondContact OG1-CB 3.23Å; T175-L177 WeakPolarHBondContact OG1-CD1 3.34Å; T175-L177 PolarHBondContact OG1-N 2.9Å
178R98.7Very high98.3Very high74 Ų7437.8 Ų37.828%0.27917%0.166SC..EExtended strand (participates in β ladder)trans-81.3139.6168.1-59.3-164.2-170.3-110.4-0.3110.1W49 R129 Y130 V131 E225W49-R178 VanDerWaalsContact CD1-CZ 3.49Å; W49-R178 HydrophobicContact CD2-CG 4.5Å; W49-R178 HydrophobicContact CE3-CG 4.27Å; W49-R178 HydrophobicContact CH2-CB 4.29Å; W49-R178 HydrophobicContact CZ3-CB 4.31Å; W49-R178 HydrophobicContact CZ3-CG 4.36Å; R129-R178 PolarHBondContact O-N 2.8Å; Y130-R178 CarbonylContact C-O 3.55Å; Y130-R178 WeakPolarHBondContact CA-O 3.42Å; Y130-R178 WeakPolarHBondContact CB-O 3.32Å; V131-R178 PolarHBondContact N-O 3.13Å; R178-E225 HydrophobicContact CB-CB 4.2Å; R178-E225 WeakPolarHBondContact CB-OE1 3.48Å; R178-E225 WeakPolarHBondContact CD-OE1 3.49Å; R178-E225 VanDerWaalsContact CG-OE1 3.27Å; R178-E225 WeakPolarHBondContact CG-OE1 3.42Å; R178-E225 IonicContact CZ-OE2 3.75Å; R178-E225 IonicContact NH1-OE1 3.39Å; R178-E225 IonicContact NH1-OE2 2.87Å; R178-E225 PolarHBondContact NH1-OE2 2.79Å
179F98.9Very high98.3Very high1 Ų140.4 Ų40.40%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-95.5135.8-179.4-179.6-100.1000110.4V131 L133 V164 L167 A168 I171 V181 P224 E225V131-F179 HydrophobicContact CG1-CD2 4.08Å; V131-F179 CarbonylContact O-C 3.52Å; L133-F179 HydrophobicContact CB-CE2 4.49Å; V164-F179 HydrophobicContact CG1-CE1 4.15Å; V164-F179 HydrophobicContact CG1-CZ 3.91Å; L167-F179 HydrophobicContact CB-CE2 4.37Å; L167-F179 HydrophobicContact CD2-CE2 4.23Å; L167-F179 HydrophobicContact CG-CE2 4.17Å; A168-F179 HydrophobicContact CB-CD1 3.65Å; A168-F179 HydrophobicContact CB-CD2 4.02Å; A168-F179 HydrophobicContact CB-CE1 3.55Å; A168-F179 HydrophobicContact CB-CE2 3.92Å; A168-F179 HydrophobicContact CB-CG 3.89Å; A168-F179 HydrophobicContact CB-CZ 3.68Å; I171-F179 HydrophobicContact CG1-CD2 4.49Å; I171-F179 HydrophobicContact CG2-CB 4.25Å; F179-V181 HydrophobicContact CE1-CG1 3.68Å; F179-V181 HydrophobicContact CZ-CG1 4Å; F179-P224 CarbonylContact O-C 3.45Å; F179-P224 WeakPolarHBondContact O-CA 3.36Å; F179-E225 PolarHBondContact O-N 2.83Å
180G98.9Very high98.2Very high0 Ų037.1 Ų37.10%016%0.157CC..EExtended strand (participates in β ladder)trans-136.9165.9178.700000111.8V131 V132 L133 V226V131-G180 WeakPolarHBondContact O-CA 3.31Å; V131-G180 PolarHBondContact O-N 3.29Å; V132-G180 WeakPolarHBondContact CA-O 3.3Å; L133-G180 PolarHBondContact N-O 3.46Å; L133-G180 VanDerWaalsContact N-O 3.09Å; G180-V226 CarbonylContact C-O 3.57Å; G180-V226 WeakPolarHBondContact CA-O 3.45Å
181V98.9Very high98.1Very high1 Ų141.8 Ų41.81%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-130.5143.1177.9-63.90000110.4V132 L133 A135 V164 F179 L218 P224 V226 I227 W228V132-V181 VanDerWaalsContact CG1-C 3.48Å; L133-V181 CarbonylContact O-C 3.52Å; L133-V181 WeakPolarHBondContact O-CA 3.27Å; A135-V181 HydrophobicContact CB-CB 4.12Å; A135-V181 HydrophobicContact CB-CG1 4.36Å; V164-V181 HydrophobicContact CG1-CG1 4.15Å; F179-V181 HydrophobicContact CE1-CG1 3.68Å; F179-V181 HydrophobicContact CZ-CG1 4Å; V181-L218 HydrophobicContact CG2-CD1 4.36Å; V181-P224 HydrophobicContact CG1-CB 4.22Å; V181-P224 HydrophobicContact CG2-CB 3.85Å; V181-P224 HydrophobicContact CG2-CG 3.79Å; V181-V226 PolarHBondContact N-O 3.42Å; V181-I227 HydrophobicContact CG2-CG1 4.46Å; V181-I227 WeakPolarHBondContact O-CA 3.37Å; V181-W228 PolarHBondContact O-N 2.76Å
182Y98.8Very high98Very high1 Ų144.5 Ų44.50%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-95.5140.3163.2164.3-73.2000109.3F58 L133 T134 A135 K136 H138 W228 D230F58-Y182 HydrophobicContact CE1-CD2 4.27Å; F58-Y182 VanDerWaalsContact CE2-CB 3.48Å; F58-Y182 HydrophobicContact CE2-CD2 4.01Å; F58-Y182 AromaticContact CE2-CG 3.94Å; F58-Y182 HydrophobicContact CE2-CG 3.94Å; F58-Y182 AromaticContact CZ-CD2 3.31Å; F58-Y182 HydrophobicContact CZ-CD2 3.31Å; F58-Y182 HydrophobicContact CZ-CE2 4.04Å; F58-Y182 AromaticContact CZ-CG 3.71Å; F58-Y182 HydrophobicContact CZ-CG 3.71Å; L133-Y182 PolarHBondContact O-N 3.2Å; T134-Y182 HydrophobicContact CG2-CD1 3.76Å; T134-Y182 HydrophobicContact CG2-CE1 4.15Å; A135-Y182 WeakPolarHBondContact CB-O 3.29Å; A135-Y182 PolarHBondContact N-O 2.86Å; K136-Y182 PolarHBondContact N-O 3.24Å; K136-Y182 WeakPolarHBondContact O-CD1 3.24Å; K136-Y182 VanDerWaalsContact O-CE1 3.22Å; K136-Y182 WeakPolarHBondContact O-CE1 3.37Å; H138-Y182 PolarHBondContact CE1-OH 3.45Å; Y182-W228 CarbonylContact C-O 3.49Å; Y182-W228 VanDerWaalsContact CA-O 3.23Å; Y182-W228 WeakPolarHBondContact CA-O 3.49Å; Y182-W228 HydrophobicContact CD2-CB 4.42Å; Y182-W228 AromaticContact CD2-CD2 3.87Å; Y182-W228 HydrophobicContact CD2-CD2 3.87Å; Y182-W228 AromaticContact CD2-CE3 3.14Å; Y182-W228 HydrophobicContact CD2-CE3 3.14Å; Y182-W228 HydrophobicContact CD2-CG 4.43Å; Y182-W228 AromaticContact CD2-CZ3 3.63Å; Y182-W228 HydrophobicContact CD2-CZ3 3.63Å; Y182-W228 HydrophobicContact CE2-CD2 4.4Å; Y182-W228 AromaticContact CE2-CE3 3.36Å; Y182-W228 HydrophobicContact CE2-CE3 3.36Å; Y182-W228 HydrophobicContact CE2-CH2 4.28Å; Y182-W228 AromaticContact CE2-CZ3 3.3Å; Y182-W228 HydrophobicContact CE2-CZ3 3.3Å; Y182-W228 HydrophobicContact CG-CE3 4.34Å; Y182-D230 HydrophobicContact CE2-CB 3.63Å; Y182-D230 WeakPolarHBondContact CE2-OD2 3.23Å; Y182-D230 WeakPolarHBondContact OH-CB 3.29Å; Y182-D230 VanDerWaalsContact OH-CG 3.29Å; Y182-D230 PolarHBondContact OH-OD2 2.8Å
183H98.7Very high98Very high0 Ų039.6 Ų39.60%018%0.182CC..EExtended strand (participates in β ladder)trans-142120.2174.6-175.2-84.9000110.6K136 E214 L215 L218 W228 S229 D230K136-H183 WeakPolarHBondContact CE-NE2 3.33Å; H183-E214 IonicContact CE1-OE2 2.89Å; H183-E214 IonicContact NE2-OE2 3.87Å; H183-E214 PolarHBondContact NE2-OE2 3.49Å; H183-L215 HydrophobicContact CB-CD2 3.84Å; H183-L218 HydrophobicContact CB-CD1 4.34Å; H183-W228 PolarHBondContact N-O 3.05Å; H183-S229 WeakPolarHBondContact O-CA 3.33Å; H183-D230 PolarHBondContact O-N 2.92Å
184S98.4Very high98Very high0 Ų035.1 Ų35.10%017%0.167CC..EExtended strand (participates in β ladder)trans-72.6125.7167.6170.30000110.7K136 H138 F186K136-S184 WeakPolarHBondContact CE-O 3.19Å; K136-S184 PolarHBondContact NZ-O 2.99Å; K136-S184 PolarHBondContact O-N 3.49Å; H138-S184 WeakPolarHBondContact ND1-CB 3.32Å; H138-S184 PolarHBondContact ND1-OG 2.78Å; S184-F186 VanDerWaalsContact C-N 3.33Å; S184-F186 PolarHBondContact OG-N 3.47Å; S184-F186 PolarHBondContact OG-O 3.39Å
185L98.1Very high98Very high0 Ų034.9 Ų34.90%017%0.17CC..SBendtrans-69.3-34.7176.7-59.3-170.9000111.7F206 T211 L215 S229 D230 W239L185-F206 WeakPolarHBondContact O-CE1 3.29Å; L185-T211 HydrophobicContact CB-CG2 4.22Å; L185-T211 HydrophobicContact CD2-CG2 3.92Å; L185-T211 WeakPolarHBondContact O-CG2 3.42Å; L185-T211 PolarHBondContact O-OG1 2.59Å; L185-L215 HydrophobicContact CD2-CD1 3.84Å; L185-S229 WeakPolarHBondContact CD2-OG 3.48Å; L185-S229 WeakPolarHBondContact CG-OG 3.4Å; L185-D230 PolarHBondContact N-O 3.47Å; L185-W239 HydrophobicContact CB-CD2 3.82Å; L185-W239 HydrophobicContact CB-CE3 3.77Å; L185-W239 HydrophobicContact CB-CH2 3.97Å; L185-W239 HydrophobicContact CB-CZ2 4.01Å; L185-W239 HydrophobicContact CB-CZ3 3.86Å; L185-W239 HydrophobicContact CD1-CB 3.98Å; L185-W239 HydrophobicContact CD1-CD2 3.79Å; L185-W239 HydrophobicContact CD1-CE3 4.35Å; L185-W239 HydrophobicContact CD1-CG 3.58Å; L185-W239 HydrophobicContact CG-CD2 4.44Å; L185-W239 WeakPolarHBondContact O-CH2 3.37Å; L185-W239 WeakPolarHBondContact O-CZ3 3.28Å
186F97.5Very high98Very high18 Ų1834.1 Ų34.18%0.07917%0.165CC..  trans-103.7165.1-177.670.8-83000113.5H138 S184 W188 Y193 A233 W239H138-F186 HydrophobicContact CB-CE2 4.12Å; H138-F186 HydrophobicContact CB-CZ 4.41Å; H138-F186 AromaticContact CE1-CE1 3.21Å; H138-F186 WeakPolarHBondContact CE1-CE1 3.03Å; H138-F186 AromaticContact CE1-CZ 3.23Å; H138-F186 WeakPolarHBondContact CE1-CZ 3.23Å; H138-F186 AromaticContact CG-CE2 3.85Å; H138-F186 AromaticContact CG-CZ 3.64Å; H138-F186 AromaticContact ND1-CD1 3.82Å; H138-F186 AromaticContact ND1-CE1 3.22Å; H138-F186 WeakPolarHBondContact ND1-CE1 3.45Å; H138-F186 AromaticContact ND1-CE2 3.57Å; H138-F186 AromaticContact ND1-CZ 3.08Å; H138-F186 WeakPolarHBondContact ND1-CZ 3.44Å; H138-F186 AromaticContact NE2-CZ 3.8Å; S184-F186 VanDerWaalsContact C-N 3.33Å; S184-F186 PolarHBondContact OG-N 3.47Å; S184-F186 PolarHBondContact OG-O 3.39Å; F186-W188 AromaticContact CE2-CD1 3.68Å; F186-W188 AromaticContact CE2-NE1 3.7Å; F186-Y193 HydrophobicContact CB-CD2 4.11Å; F186-Y193 HydrophobicContact CB-CE1 4.2Å; F186-Y193 HydrophobicContact CB-CE2 3.63Å; F186-Y193 HydrophobicContact CD2-CE1 4.48Å; F186-A233 HydrophobicContact CB-CB 4.34Å; F186-A233 HydrophobicContact CD1-CB 3.65Å; F186-A233 HydrophobicContact CD2-CB 4.14Å; F186-A233 HydrophobicContact CE1-CB 3.83Å; F186-A233 HydrophobicContact CE2-CB 4.31Å; F186-A233 HydrophobicContact CG-CB 3.8Å; F186-A233 HydrophobicContact CZ-CB 4.16Å; F186-W239 HydrophobicContact CB-CH2 3.64Å; F186-W239 HydrophobicContact CB-CZ2 3.93Å
187E97.6Very high98Very high8 Ų830.7 Ų30.74%0.03715%0.15CC..  trans-136.1122.9174.2-75.6173-151.800109.8K136 H138 G140 F189 N190 Y193 F206 K210K136-E187 IonicContact NZ-OE1 2.8Å; K136-E187 PolarHBondContact NZ-OE1 2.7Å; H138-E187 VanDerWaalsContact O-CA 3.28Å; H138-E187 WeakPolarHBondContact O-CA 3.35Å; G140-E187 VanDerWaalsContact CA-CD 3.44Å; E187-F189 PolarHBondContact O-N 3.03Å; E187-F189 VanDerWaalsContact O-N 3.08Å; E187-N190 HydrophobicContact CB-CB 3.58Å; E187-N190 PolarHBondContact O-N 3.18Å; E187-N190 WeakPolarHBondContact OE2-CB 3.31Å; E187-N190 PolarHBondContact OE2-ND2 3.41Å; E187-Y193 WeakPolarHBondContact O-CD1 3.36Å; E187-F206 HydrophobicContact CB-CE2 4.35Å; E187-F206 HydrophobicContact CB-CZ 3.98Å; E187-F206 HydrophobicContact CG-CE2 4.34Å; E187-F206 HydrophobicContact CG-CZ 3.89Å; E187-K210 VanDerWaalsContact CD-CE 3.44Å; E187-K210 WeakPolarHBondContact OE1-CE 3.46Å; E187-K210 IonicContact OE1-NZ 3.56Å; E187-K210 WeakPolarHBondContact OE2-CE 3.38Å; E187-K210 IonicContact OE2-NZ 2.75Å
188W96.6Very high97.9Very high12 Ų1233.9 Ų33.95%0.04518%0.178CC..THydrogen-bonded Turntrans-52-41-169.4-67.5-47.5000114.2W73 W75 W76 H137 H138 E139 F186W73-W188 HydrophobicContact CB-CH2 4.46Å; W73-W188 HydrophobicContact CB-CZ2 4.47Å; W73-W188 AromaticContact CD2-CZ2 3.73Å; W73-W188 HydrophobicContact CD2-CZ2 3.73Å; W73-W188 AromaticContact CE3-CZ2 3.97Å; W73-W188 HydrophobicContact CE3-CZ2 3.97Å; W73-W188 HydrophobicContact CG-CH2 4.3Å; W73-W188 AromaticContact CG-CZ2 3.96Å; W73-W188 HydrophobicContact CG-CZ2 3.96Å; W75-W188 HydrophobicContact CB-CE3 4.16Å; W75-W188 HydrophobicContact CB-CZ3 3.98Å; W75-W188 HydrophobicContact CE3-CE3 4.22Å; W76-W188 HydrophobicContact CB-CD2 3.8Å; W76-W188 HydrophobicContact CB-CE3 4.1Å; W76-W188 HydrophobicContact CB-CG 4.3Å; W76-W188 HydrophobicContact CB-CH2 4.25Å; W76-W188 HydrophobicContact CB-CZ2 3.92Å; W76-W188 HydrophobicContact CB-CZ3 4.32Å; W76-W188 HydrophobicContact CD2-CG 4.4Å; W76-W188 HydrophobicContact CE3-CB 3.91Å; W76-W188 AromaticContact CE3-CD1 3.72Å; W76-W188 HydrophobicContact CE3-CD2 4.49Å; W76-W188 AromaticContact CE3-CG 3.8Å; W76-W188 HydrophobicContact CE3-CG 3.8Å; W76-W188 HydrophobicContact CZ3-CB 4.39Å; H137-W188 AromaticContact CE1-CH2 3.8Å; H138-W188 HydrophobicContact CB-CD2 3.71Å; H138-W188 HydrophobicContact CB-CE3 4.17Å; H138-W188 HydrophobicContact CB-CG 4.27Å; H138-W188 HydrophobicContact CB-CH2 3.91Å; H138-W188 HydrophobicContact CB-CZ2 3.46Å; H138-W188 VanDerWaalsContact CB-CZ2 3.46Å; H138-W188 HydrophobicContact CB-CZ3 4.25Å; H138-W188 AromaticContact CD2-CZ2 3.77Å; H138-W188 AromaticContact CG-CZ2 3.99Å; H138-W188 PolarHBondContact O-N 2.86Å; E139-W188 HydrophobicContact CB-CZ3 4.21Å; F186-W188 AromaticContact CE2-CD1 3.68Å; F186-W188 AromaticContact CE2-NE1 3.7Å
189F97Very high97.9Very high56 Ų5632.8 Ų32.825%0.24618%0.178CC..THydrogen-bonded Turntrans-124.714.6-170.1-54-70.3000113.7W75 W76 Q79 E187 P191W75-F189 HydrophobicContact CB-CE2 4.42Å; W75-F189 AromaticContact CD1-CE2 3.7Å; W75-F189 AromaticContact CD2-CD2 3.5Å; W75-F189 HydrophobicContact CD2-CD2 3.5Å; W75-F189 AromaticContact CD2-CE2 3.65Å; W75-F189 HydrophobicContact CD2-CE2 3.65Å; W75-F189 AromaticContact CE2-CD2 3.28Å; W75-F189 AromaticContact CE2-CE2 3.67Å; W75-F189 AromaticContact CE3-CD2 3.83Å; W75-F189 HydrophobicContact CE3-CD2 3.83Å; W75-F189 HydrophobicContact CE3-CE2 4.27Å; W75-F189 HydrophobicContact CG-CD2 4.08Å; W75-F189 AromaticContact CG-CE2 3.7Å; W75-F189 HydrophobicContact CG-CE2 3.7Å; W75-F189 HydrophobicContact CH2-CB 4Å; W75-F189 AromaticContact CH2-CD2 3.82Å; W75-F189 HydrophobicContact CH2-CD2 3.82Å; W75-F189 HydrophobicContact CH2-CG 4.37Å; W75-F189 HydrophobicContact CZ2-CB 3.96Å; W75-F189 AromaticContact CZ2-CD2 3.47Å; W75-F189 HydrophobicContact CZ2-CD2 3.47Å; W75-F189 VanDerWaalsContact CZ2-CD2 3.47Å; W75-F189 HydrophobicContact CZ2-CE2 4.31Å; W75-F189 HydrophobicContact CZ2-CG 4.03Å; W75-F189 AromaticContact CZ3-CD2 3.98Å; W75-F189 HydrophobicContact CZ3-CD2 3.98Å; W75-F189 AromaticContact NE1-CD2 3.7Å; W75-F189 AromaticContact NE1-CE2 3.65Å; W76-F189 HydrophobicContact CE3-CE1 4.17Å; W76-F189 HydrophobicContact CE3-CE2 4.39Å; W76-F189 AromaticContact CE3-CZ 3.75Å; W76-F189 HydrophobicContact CE3-CZ 3.75Å; W76-F189 HydrophobicContact CZ3-CE1 4.15Å; W76-F189 HydrophobicContact CZ3-CZ 4.21Å; Q79-F189 HydrophobicContact CB-CE1 4.25Å; Q79-F189 HydrophobicContact CB-CE2 4.37Å; Q79-F189 HydrophobicContact CB-CZ 3.83Å; E187-F189 PolarHBondContact O-N 3.03Å; E187-F189 VanDerWaalsContact O-N 3.08Å; F189-P191 WeakPolarHBondContact O-CD 3.43Å
190N96.9Very high97.8Very high21 Ų2139.3 Ų39.311%0.11221%0.212CC..  trans-70.7125.4176.5-172.5-58.3000110.2E187 L192 Y193 L194 F206 K210E187-N190 HydrophobicContact CB-CB 3.58Å; E187-N190 PolarHBondContact O-N 3.18Å; E187-N190 WeakPolarHBondContact OE2-CB 3.31Å; E187-N190 PolarHBondContact OE2-ND2 3.41Å; N190-L192 VanDerWaalsContact C-N 3.25Å; N190-L192 PolarHBondContact O-N 3.23Å; N190-L192 WeakPolarHBondContact OD1-CB 3.46Å; N190-L192 PolarHBondContact OD1-N 3.49Å; N190-Y193 PolarHBondContact O-N 2.87Å; N190-Y193 VanDerWaalsContact O-N 3.12Å; N190-L194 WeakPolarHBondContact O-CG 3.46Å; N190-L194 PolarHBondContact O-N 3.11Å; N190-F206 HydrophobicContact CB-CD2 4.5Å; N190-F206 HydrophobicContact CB-CE2 4.02Å; N190-K210 WeakPolarHBondContact ND2-CD 3.26Å; N190-K210 WeakPolarHBondContact ND2-CE 3.22Å
191P97.4Very high97.7Very high101 Ų10141.4 Ų41.466%0.65622%0.222SC*.Hα-helixtrans-57.2-34.6-177.8-27.335.4000114.4F189 H195F189-P191 WeakPolarHBondContact O-CD 3.43Å; P191-H195 VanDerWaalsContact O-CB 3.29Å; P191-H195 WeakPolarHBondContact O-CB 3.38Å; P191-H195 PolarHBondContact O-N 2.77Å
192L97.6Very high97.6Very high56 Ų5647 Ų4729%0.29326%0.256SS..Hα-helixtrans-69.5-43.6178.4-57.5-179.9000110.8N190 H195 D196 T205 F206 Q209N190-L192 VanDerWaalsContact C-N 3.25Å; N190-L192 PolarHBondContact O-N 3.23Å; N190-L192 WeakPolarHBondContact OD1-CB 3.46Å; N190-L192 PolarHBondContact OD1-N 3.49Å; L192-H195 WeakPolarHBondContact O-CB 3.39Å; L192-H195 PolarHBondContact O-N 3.15Å; L192-D196 PolarHBondContact O-N 2.79Å; L192-T205 HydrophobicContact CD2-CG2 4.09Å; L192-F206 HydrophobicContact CB-CB 3.73Å; L192-F206 HydrophobicContact CB-CD2 3.97Å; L192-F206 HydrophobicContact CB-CG 4.3Å; L192-Q209 HydrophobicContact CD1-CB 4.42Å
193Y97.9Very high97.5Very high4 Ų449 Ų492%0.01627%0.268CS..Hα-helixtrans-64.4-44.3176.4174.3-107.7000111F186 E187 N190 H195 D196 K197 F201 F206 A233 Y238 W239F186-Y193 HydrophobicContact CB-CD2 4.11Å; F186-Y193 HydrophobicContact CB-CE1 4.2Å; F186-Y193 HydrophobicContact CB-CE2 3.63Å; F186-Y193 HydrophobicContact CD2-CE1 4.48Å; E187-Y193 WeakPolarHBondContact O-CD1 3.36Å; N190-Y193 PolarHBondContact O-N 2.87Å; N190-Y193 VanDerWaalsContact O-N 3.12Å; Y193-H195 VanDerWaalsContact C-N 3.28Å; Y193-H195 PolarHBondContact O-N 3.3Å; Y193-D196 PolarHBondContact O-N 3.44Å; Y193-K197 HydrophobicContact CE1-CD 4Å; Y193-K197 VanDerWaalsContact O-CB 3.25Å; Y193-K197 WeakPolarHBondContact O-CB 3.17Å; Y193-K197 PolarHBondContact O-N 2.77Å; Y193-F201 AromaticContact CE2-CE1 3.84Å; Y193-F201 HydrophobicContact CE2-CE1 3.84Å; Y193-F201 HydrophobicContact CE2-CZ 4.45Å; Y193-F206 AromaticContact CD2-CD1 3.85Å; Y193-F206 HydrophobicContact CD2-CD1 3.85Å; Y193-F206 AromaticContact CD2-CE1 3.95Å; Y193-F206 HydrophobicContact CD2-CE1 3.95Å; Y193-F206 HydrophobicContact CG-CD1 4.24Å; Y193-F206 HydrophobicContact CG-CE1 4.22Å; Y193-A233 WeakPolarHBondContact OH-CB 3.17Å; Y193-A233 PolarHBondContact OH-O 3.49Å; Y193-Y238 HydrophobicContact CE2-CE1 4.45Å; Y193-W239 AromaticContact CD2-CH2 4Å; Y193-W239 HydrophobicContact CD2-CH2 4Å; Y193-W239 AromaticContact CE2-CH2 3.73Å; Y193-W239 HydrophobicContact CE2-CH2 3.73Å; Y193-W239 HydrophobicContact CE2-CZ2 4.13Å
194L97.9Very high97.4Very high81 Ų8151.8 Ų51.842%0.42428%0.281SS..Hα-helixtrans-61.8-36.9176.5-68.8177.3000111.9N190 A198N190-L194 WeakPolarHBondContact O-CG 3.46Å; N190-L194 PolarHBondContact O-N 3.11Å; L194-A198 VanDerWaalsContact O-CB 3.26Å; L194-A198 WeakPolarHBondContact O-CB 3.46Å; L194-A198 PolarHBondContact O-N 3.34Å
195H98.2Very high97.4Very high101 Ų10153.7 Ų53.747%0.46829%0.293SS..Hα-helixtrans-65-50.5174.7-177.371.2000111.8P191 L192 Y193 K197 A198 N199P191-H195 VanDerWaalsContact O-CB 3.29Å; P191-H195 WeakPolarHBondContact O-CB 3.38Å; P191-H195 PolarHBondContact O-N 2.77Å; L192-H195 WeakPolarHBondContact O-CB 3.39Å; L192-H195 PolarHBondContact O-N 3.15Å; Y193-H195 VanDerWaalsContact C-N 3.28Å; Y193-H195 PolarHBondContact O-N 3.3Å; H195-K197 VanDerWaalsContact C-N 3.31Å; H195-K197 PolarHBondContact O-N 2.63Å; H195-A198 PolarHBondContact O-N 3.35Å; H195-N199 PolarHBondContact CD2-ND2 2.99Å; H195-N199 PolarHBondContact CE1-ND2 3.18Å; H195-N199 PolarHBondContact NE2-ND2 3.48Å; H195-N199 PolarHBondContact O-N 2.78Å; H195-N199 PolarHBondContact O-ND2 3.04Å
196D98.3Very high97.4Very high0 Ų053.7 Ų53.70%029%0.293CS..Hα-helixtrans-60.2-42.5177.4-74.3-17.2000111.6L192 Y193 N199 N200 F201 T203 T205 F206 Y238L192-D196 PolarHBondContact O-N 2.79Å; Y193-D196 PolarHBondContact O-N 3.44Å; D196-N199 CarbonylContact O-C 3.35Å; D196-N199 WeakPolarHBondContact O-CA 3.14Å; D196-N199 PolarHBondContact O-N 3.48Å; D196-N199 VanDerWaalsContact O-N 3.13Å; D196-N200 PolarHBondContact O-N 3.42Å; D196-F201 WeakPolarHBondContact O-CA 3.4Å; D196-F201 PolarHBondContact O-N 2.92Å; D196-T203 VanDerWaalsContact OD1-C 3.29Å; D196-T203 WeakPolarHBondContact OD1-CB 3.45Å; D196-T203 PolarHBondContact OD1-OG1 3.41Å; D196-T205 PolarHBondContact OD1-N 2.94Å; D196-T205 PolarHBondContact OD2-N 2.78Å; D196-T205 VanDerWaalsContact OD2-N 3.07Å; D196-F206 VanDerWaalsContact OD2-CB 3.32Å; D196-F206 WeakPolarHBondContact OD2-CB 3.41Å; D196-F206 PolarHBondContact OD2-N 3.14Å; D196-Y238 HydrophobicContact CB-CE2 3.68Å; D196-Y238 VanDerWaalsContact CB-OH 3.28Å; D196-Y238 WeakPolarHBondContact CB-OH 3.32Å; D196-Y238 WeakPolarHBondContact OD2-CE2 3.37Å; D196-Y238 PolarHBondContact OD2-OH 3.22Å
197K97.2Very high97.4Very high100 Ų10053 Ų5344%0.43529%0.29SS..Hα-helixtrans-62.3-43.2175.6-174.8170-174.3168.70112.2Y193 H195 N199 N200 F201Y193-K197 HydrophobicContact CE1-CD 4Å; Y193-K197 VanDerWaalsContact O-CB 3.25Å; Y193-K197 WeakPolarHBondContact O-CB 3.17Å; Y193-K197 PolarHBondContact O-N 2.77Å; H195-K197 VanDerWaalsContact C-N 3.31Å; H195-K197 PolarHBondContact O-N 2.63Å; K197-N199 PolarHBondContact O-N 3.49Å; K197-N200 PolarHBondContact O-N 2.9Å; K197-F201 HydrophobicContact CB-CD1 4.45Å; K197-F201 HydrophobicContact CB-CE1 3.7Å; K197-F201 HydrophobicContact CB-CZ 3.97Å; K197-F201 HydrophobicContact CD-CZ 4.17Å; K197-F201 HydrophobicContact CG-CE1 3.99Å; K197-F201 HydrophobicContact CG-CE2 4.43Å; K197-F201 HydrophobicContact CG-CZ 3.7Å
198A97.6Very high97.4Very high76 Ų7658.7 Ų58.763%0.62832%0.317SS*.Hα-helixtrans-63.6-28.8174.700000112.3L194 H195 N200L194-A198 VanDerWaalsContact O-CB 3.26Å; L194-A198 WeakPolarHBondContact O-CB 3.46Å; L194-A198 PolarHBondContact O-N 3.34Å; H195-A198 PolarHBondContact O-N 3.35Å; A198-N200 PolarHBondContact O-N 3.27Å
199N97.3Very high97.5Very high52 Ų5263.5 Ų63.528%0.27834%0.34SS..THydrogen-bonded Turntrans-86.221.2172.3-64.5-23.6000113.2H195 D196 K197 F201 T202 T203H195-N199 PolarHBondContact CD2-ND2 2.99Å; H195-N199 PolarHBondContact CE1-ND2 3.18Å; H195-N199 PolarHBondContact NE2-ND2 3.48Å; H195-N199 PolarHBondContact O-N 2.78Å; H195-N199 PolarHBondContact O-ND2 3.04Å; D196-N199 CarbonylContact O-C 3.35Å; D196-N199 WeakPolarHBondContact O-CA 3.14Å; D196-N199 PolarHBondContact O-N 3.48Å; D196-N199 VanDerWaalsContact O-N 3.13Å; K197-N199 PolarHBondContact O-N 3.49Å; N199-F201 PolarHBondContact O-N 3.16Å; N199-F201 VanDerWaalsContact O-N 3.16Å; N199-T202 PolarHBondContact O-N 3.48Å; N199-T202 VanDerWaalsContact O-N 3.13Å; N199-T202 PolarHBondContact O-OG1 2.98Å; N199-T203 HydrophobicContact CB-CG2 4.36Å; N199-T203 PolarHBondContact ND2-OG1 3.15Å; N199-T203 VanDerWaalsContact ND2-OG1 3.1Å
200N97Very high97.5Very high137 Ų13761.8 Ų61.873%0.73333%0.332SS*.THydrogen-bonded Turntrans52.135.5-178.4-58.1-51.7000113.6D196 K197 A198 T202D196-N200 PolarHBondContact O-N 3.42Å; K197-N200 PolarHBondContact O-N 2.9Å; A198-N200 PolarHBondContact O-N 3.27Å; N200-T202 PolarHBondContact O-N 3.13Å
201F97.4Very high97.5Very high44 Ų4460.8 Ų60.819%0.19333%0.327CS..THydrogen-bonded Turntrans59.425-179.7-53.7-63.6000115.1Y193 D196 K197 N199 A233 Y238Y193-F201 AromaticContact CE2-CE1 3.84Å; Y193-F201 HydrophobicContact CE2-CE1 3.84Å; Y193-F201 HydrophobicContact CE2-CZ 4.45Å; D196-F201 WeakPolarHBondContact O-CA 3.4Å; D196-F201 PolarHBondContact O-N 2.92Å; K197-F201 HydrophobicContact CB-CD1 4.45Å; K197-F201 HydrophobicContact CB-CE1 3.7Å; K197-F201 HydrophobicContact CB-CZ 3.97Å; K197-F201 HydrophobicContact CD-CZ 4.17Å; K197-F201 HydrophobicContact CG-CE1 3.99Å; K197-F201 HydrophobicContact CG-CE2 4.43Å; K197-F201 HydrophobicContact CG-CZ 3.7Å; N199-F201 PolarHBondContact O-N 3.16Å; N199-F201 VanDerWaalsContact O-N 3.16Å; F201-A233 WeakPolarHBondContact CZ-O 3.32Å; F201-Y238 HydrophobicContact CB-CD1 4.35Å; F201-Y238 HydrophobicContact CB-CD2 3.79Å; F201-Y238 HydrophobicContact CB-CE2 4.47Å; F201-Y238 HydrophobicContact CB-CG 3.74Å; F201-Y238 AromaticContact CD1-CD1 3.72Å; F201-Y238 HydrophobicContact CD1-CD1 3.72Å; F201-Y238 HydrophobicContact CD1-CD2 4.07Å; F201-Y238 AromaticContact CD1-CE1 3.66Å; F201-Y238 HydrophobicContact CD1-CE1 3.66Å; F201-Y238 HydrophobicContact CD1-CE2 4.06Å; F201-Y238 AromaticContact CD1-CG 3.93Å; F201-Y238 HydrophobicContact CD1-CG 3.93Å; F201-Y238 AromaticContact CD1-CZ 3.86Å; F201-Y238 HydrophobicContact CE1-CD1 4.3Å; F201-Y238 HydrophobicContact CE1-CE1 4.01Å; F201-Y238 HydrophobicContact CG-CD1 4.23Å; F201-Y238 HydrophobicContact CG-CD2 4.39Å; F201-Y238 HydrophobicContact CG-CG 4.12Å
202T96.5Very high97.6Very high118 Ų11856.6 Ų56.672%0.72430%0.299SS*.  trans-86.1-17.8175.159.80000113.3N199 N200N199-T202 PolarHBondContact O-N 3.48Å; N199-T202 VanDerWaalsContact O-N 3.13Å; N199-T202 PolarHBondContact O-OG1 2.98Å; N200-T202 PolarHBondContact O-N 3.13Å
203T97Very high97.6Very high44 Ų4456.2 Ų56.227%0.2730%0.3SS..  trans-101.7148.8167.156.40000109.2D196 N199 Y238D196-T203 VanDerWaalsContact OD1-C 3.29Å; D196-T203 WeakPolarHBondContact OD1-CB 3.45Å; D196-T203 PolarHBondContact OD1-OG1 3.41Å; N199-T203 HydrophobicContact CB-CG2 4.36Å; N199-T203 PolarHBondContact ND2-OG1 3.15Å; N199-T203 VanDerWaalsContact ND2-OG1 3.1Å; T203-Y238 WeakPolarHBondContact O-CD2 3.43Å; T203-Y238 WeakPolarHBondContact O-CE2 3.49Å
204Q96.8Very high97.6Very high58 Ų5856 Ų5627%0.27130%0.299SS..  trans-12026.7-176.7-75.4-176.6-28.200112.7F206 V207 E208 T237 Y238Q204-F206 VanDerWaalsContact C-N 3.33Å; Q204-F206 PolarHBondContact O-N 3.2Å; Q204-V207 HydrophobicContact CB-CB 4.27Å; Q204-V207 PolarHBondContact O-N 3.14Å; Q204-V207 VanDerWaalsContact O-N 3.09Å; Q204-E208 HydrophobicContact CB-CG 4.36Å; Q204-E208 WeakPolarHBondContact O-CG 3.32Å; Q204-E208 PolarHBondContact O-N 2.88Å; Q204-T237 PolarHBondContact NE2-O 2.75Å; Q204-Y238 HydrophobicContact CG-CD2 3.89Å; Q204-Y238 HydrophobicContact CG-CE2 4.27Å; Q204-Y238 WeakPolarHBondContact CG-O 3.48Å; Q204-Y238 PolarHBondContact NE2-O 2.93Å
205T97.7Very high97.7Very high40 Ų4052.3 Ų52.325%0.24528%0.279CS..Hα-helixtrans-61.1-41.2-171.6-56.40000112.1L192 D196 Q209L192-T205 HydrophobicContact CD2-CG2 4.09Å; D196-T205 PolarHBondContact OD1-N 2.94Å; D196-T205 PolarHBondContact OD2-N 2.78Å; D196-T205 VanDerWaalsContact OD2-N 3.07Å; T205-Q209 HydrophobicContact CG2-CG 4.36Å; T205-Q209 VanDerWaalsContact O-CB 3.25Å; T205-Q209 WeakPolarHBondContact O-CB 3.25Å; T205-Q209 VanDerWaalsContact O-CG 3.31Å; T205-Q209 WeakPolarHBondContact O-CG 3.31Å; T205-Q209 PolarHBondContact O-N 3.07Å
206F98.1Very high97.7Very high0 Ų050.8 Ų50.80%027%0.27CS..Hα-helixtrans-67.9-37.2176.5176.1-113.7000112.3L185 E187 N190 L192 Y193 D196 Q204 K210 T211 W239L185-F206 WeakPolarHBondContact O-CE1 3.29Å; E187-F206 HydrophobicContact CB-CE2 4.35Å; E187-F206 HydrophobicContact CB-CZ 3.98Å; E187-F206 HydrophobicContact CG-CE2 4.34Å; E187-F206 HydrophobicContact CG-CZ 3.89Å; N190-F206 HydrophobicContact CB-CD2 4.5Å; N190-F206 HydrophobicContact CB-CE2 4.02Å; L192-F206 HydrophobicContact CB-CB 3.73Å; L192-F206 HydrophobicContact CB-CD2 3.97Å; L192-F206 HydrophobicContact CB-CG 4.3Å; Y193-F206 AromaticContact CD2-CD1 3.85Å; Y193-F206 HydrophobicContact CD2-CD1 3.85Å; Y193-F206 AromaticContact CD2-CE1 3.95Å; Y193-F206 HydrophobicContact CD2-CE1 3.95Å; Y193-F206 HydrophobicContact CG-CD1 4.24Å; Y193-F206 HydrophobicContact CG-CE1 4.22Å; D196-F206 VanDerWaalsContact OD2-CB 3.32Å; D196-F206 WeakPolarHBondContact OD2-CB 3.41Å; D196-F206 PolarHBondContact OD2-N 3.14Å; Q204-F206 VanDerWaalsContact C-N 3.33Å; Q204-F206 PolarHBondContact O-N 3.2Å; F206-K210 HydrophobicContact CD2-CB 4.01Å; F206-K210 HydrophobicContact CD2-CD 4.2Å; F206-K210 HydrophobicContact CD2-CG 4.37Å; F206-K210 HydrophobicContact CE2-CB 4.11Å; F206-K210 HydrophobicContact CE2-CD 3.75Å; F206-K210 HydrophobicContact CE2-CG 3.98Å; F206-K210 WeakPolarHBondContact O-CA 3.34Å; F206-K210 WeakPolarHBondContact O-CB 3.36Å; F206-K210 PolarHBondContact O-N 3.08Å; F206-T211 WeakPolarHBondContact CE1-OG1 3.41Å; F206-T211 WeakPolarHBondContact CZ-OG1 3.46Å; F206-T211 PolarHBondContact O-N 3.15Å; F206-T211 VanDerWaalsContact O-N 3.1Å; F206-W239 HydrophobicContact CD1-CH2 4.44Å; F206-W239 HydrophobicContact CD1-CZ3 4.02Å; F206-W239 HydrophobicContact CE1-CH2 4.2Å; F206-W239 AromaticContact CE1-CZ3 3.95Å; F206-W239 HydrophobicContact CE1-CZ3 3.95Å
207V98.2Very high97.7Very high3 Ų352.4 Ų52.42%0.01828%0.279CS..Iπ-helixtrans-66-50.3179.51790000110.5Q204 M212 Y238 W239 N240Q204-V207 HydrophobicContact CB-CB 4.27Å; Q204-V207 PolarHBondContact O-N 3.14Å; Q204-V207 VanDerWaalsContact O-N 3.09Å; V207-M212 HydrophobicContact CG1-CG 3.65Å; V207-M212 WeakPolarHBondContact O-CB 2.85Å; V207-M212 PolarHBondContact O-N 2.64Å; V207-Y238 HydrophobicContact CG2-CD1 4.29Å; V207-Y238 HydrophobicContact CG2-CD2 4.23Å; V207-Y238 HydrophobicContact CG2-CE1 3.83Å; V207-Y238 HydrophobicContact CG2-CE2 3.72Å; V207-Y238 HydrophobicContact CG2-CG 4.48Å; V207-Y238 WeakPolarHBondContact CG2-O 3.32Å; V207-W239 VanDerWaalsContact CG1-O 3.32Å; V207-W239 WeakPolarHBondContact CG1-O 3.37Å; V207-W239 HydrophobicContact CG2-CE3 3.67Å; V207-W239 HydrophobicContact CG2-CZ3 3.94Å; V207-N240 HydrophobicContact CG1-CB 4.49Å
208E98Very high97.8Very high129 Ų12947.7 Ų47.760%0.60326%0.258SS*.Iπ-helixtrans-67.6-40.8-178.4-69.1177.217500113Q204 P213Q204-E208 HydrophobicContact CB-CG 4.36Å; Q204-E208 WeakPolarHBondContact O-CG 3.32Å; Q204-E208 PolarHBondContact O-N 2.88Å; E208-P213 WeakPolarHBondContact O-CD 3.18Å; E208-P213 WeakPolarHBondContact O-CG 3.47Å
209Q97.4Very high97.8Very high113 Ų11344.1 Ų44.153%0.52823%0.229SC..Iπ-helixtrans-92.1-18.3-172-62.3-176.16.500113.8T148 L192 T205T148-Q209 WeakPolarHBondContact CG2-O 3.49Å; L192-Q209 HydrophobicContact CD1-CB 4.42Å; T205-Q209 HydrophobicContact CG2-CG 4.36Å; T205-Q209 VanDerWaalsContact O-CB 3.25Å; T205-Q209 WeakPolarHBondContact O-CB 3.25Å; T205-Q209 VanDerWaalsContact O-CG 3.31Å; T205-Q209 WeakPolarHBondContact O-CG 3.31Å; T205-Q209 PolarHBondContact O-N 3.07Å
210K97.7Very high97.9Very high20 Ų2046 Ų469%0.08724%0.239CC..Iπ-helixtrans-134.2-70.1-171.8-172.7153.5174.6127.40113.7T148 S149 E187 N190 F206 M212 P213 E214T148-K210 PolarHBondContact O-NZ 3.38Å; T148-K210 VanDerWaalsContact O-NZ 3.11Å; S149-K210 WeakPolarHBondContact OG-CE 3.1Å; S149-K210 PolarHBondContact OG-NZ 3.02Å; E187-K210 VanDerWaalsContact CD-CE 3.44Å; E187-K210 WeakPolarHBondContact OE1-CE 3.46Å; E187-K210 IonicContact OE1-NZ 3.56Å; E187-K210 WeakPolarHBondContact OE2-CE 3.38Å; E187-K210 IonicContact OE2-NZ 2.75Å; N190-K210 WeakPolarHBondContact ND2-CD 3.26Å; N190-K210 WeakPolarHBondContact ND2-CE 3.22Å; F206-K210 HydrophobicContact CD2-CB 4.01Å; F206-K210 HydrophobicContact CD2-CD 4.2Å; F206-K210 HydrophobicContact CD2-CG 4.37Å; F206-K210 HydrophobicContact CE2-CB 4.11Å; F206-K210 HydrophobicContact CE2-CD 3.75Å; F206-K210 HydrophobicContact CE2-CG 3.98Å; F206-K210 WeakPolarHBondContact O-CA 3.34Å; F206-K210 WeakPolarHBondContact O-CB 3.36Å; F206-K210 PolarHBondContact O-N 3.08Å; K210-M212 PolarHBondContact O-N 2.89Å; K210-P213 WeakPolarHBondContact O-CD 3.3Å; K210-E214 VanDerWaalsContact O-CG 3.26Å; K210-E214 WeakPolarHBondContact O-CG 3.14Å; K210-E214 PolarHBondContact O-N 3.39Å; K210-E214 VanDerWaalsContact O-N 3.11Å
211T97.6Very high98Very high0 Ų044.6 Ų44.60%022%0.223CC..Iπ-helixtrans-61.5-47.9-169.7-67.60000113L185 F206 E214 L215 W239L185-T211 HydrophobicContact CB-CG2 4.22Å; L185-T211 HydrophobicContact CD2-CG2 3.92Å; L185-T211 WeakPolarHBondContact O-CG2 3.42Å; L185-T211 PolarHBondContact O-OG1 2.59Å; F206-T211 WeakPolarHBondContact CE1-OG1 3.41Å; F206-T211 WeakPolarHBondContact CZ-OG1 3.46Å; F206-T211 PolarHBondContact O-N 3.15Å; F206-T211 VanDerWaalsContact O-N 3.1Å; T211-E214 PolarHBondContact O-N 2.77Å; T211-L215 HydrophobicContact CG2-CD1 4.44Å; T211-L215 PolarHBondContact O-N 2.98Å; T211-L215 VanDerWaalsContact O-N 3.17Å; T211-W239 HydrophobicContact CG2-CE3 4.35Å; T211-W239 HydrophobicContact CG2-CZ3 4.39Å
212M97.9Very high98Very high13 Ų1343 Ų436%0.06422%0.216CC..Hα-helixtrans-69-49.5-179.7-78.6-65.216000112.8V207 K210 E214 L215 Y216 W239 F244V207-M212 HydrophobicContact CG1-CG 3.65Å; V207-M212 WeakPolarHBondContact O-CB 2.85Å; V207-M212 PolarHBondContact O-N 2.64Å; K210-M212 PolarHBondContact O-N 2.89Å; M212-E214 PolarHBondContact O-N 3.09Å; M212-E214 VanDerWaalsContact O-N 3.16Å; M212-L215 HydrophobicContact CE-CD1 3.96Å; M212-L215 PolarHBondContact O-N 2.88Å; M212-L215 HydrophobicContact SD-CD1 3.99Å; M212-Y216 HydrophobicContact CB-CD2 4.37Å; M212-Y216 HydrophobicContact CB-CE2 4.28Å; M212-Y216 WeakPolarHBondContact O-CD2 3.31Å; M212-Y216 PolarHBondContact O-N 2.88Å; M212-Y216 HydrophobicContact SD-CE2 4.21Å; M212-W239 WeakPolarHBondContact CE-O 3.15Å; M212-F244 HydrophobicContact CE-CB 3.79Å; M212-F244 HydrophobicContact CE-CG 4.3Å; M212-F244 HydrophobicContact SD-CB 3.81Å; M212-F244 HydrophobicContact SD-CD2 3.99Å; M212-F244 HydrophobicContact SD-CG 4.08Å
213P98.2Very high98.1Very high48 Ų4842 Ų4231%0.31220%0.201SC..Hα-helixtrans-50.6-38.9173.7-29.735.2000113.9T148 E208 K210 D217T148-P213 HydrophobicContact CG2-CB 3.84Å; T148-P213 HydrophobicContact CG2-CG 4.41Å; E208-P213 WeakPolarHBondContact O-CD 3.18Å; E208-P213 WeakPolarHBondContact O-CG 3.47Å; K210-P213 WeakPolarHBondContact O-CD 3.3Å; P213-D217 WeakPolarHBondContact O-CB 3.28Å; P213-D217 PolarHBondContact O-N 3.47Å
214E98.4Very high98.2Very high0 Ų040 Ų400%019%0.188CC..Hα-helixtrans-62.5-48.1174.6-73.3175.2164.400112.6K136 C142 W144 T148 S149 H183 K210 T211 M212 Y216 D217 L218K136-E214 WeakPolarHBondContact CD-OE2 3.49Å; K136-E214 WeakPolarHBondContact CE-OE2 3.36Å; K136-E214 IonicContact NZ-OE2 2.68Å; K136-E214 PolarHBondContact NZ-OE2 2.76Å; C142-E214 PolarHBondContact SG-OE1 2.83Å; W144-E214 HydrophobicContact CH2-CB 4.11Å; W144-E214 HydrophobicContact CH2-CG 4.27Å; W144-E214 HydrophobicContact CZ2-CB 3.93Å; W144-E214 HydrophobicContact CZ2-CG 4.05Å; T148-E214 WeakPolarHBondContact OG1-CG 3.32Å; T148-E214 PolarHBondContact OG1-OE1 2.88Å; S149-E214 PolarHBondContact OG-OE1 3.3Å; H183-E214 IonicContact CE1-OE2 2.89Å; H183-E214 IonicContact NE2-OE2 3.87Å; H183-E214 PolarHBondContact NE2-OE2 3.49Å; K210-E214 VanDerWaalsContact O-CG 3.26Å; K210-E214 WeakPolarHBondContact O-CG 3.14Å; K210-E214 PolarHBondContact O-N 3.39Å; K210-E214 VanDerWaalsContact O-N 3.11Å; T211-E214 PolarHBondContact O-N 2.77Å; M212-E214 PolarHBondContact O-N 3.09Å; M212-E214 VanDerWaalsContact O-N 3.16Å; E214-Y216 PolarHBondContact O-N 2.97Å; E214-D217 PolarHBondContact O-N 2.67Å; E214-L218 WeakPolarHBondContact O-CB 3.28Å; E214-L218 WeakPolarHBondContact O-CG 3.39Å; E214-L218 PolarHBondContact O-N 2.88Å
215L98.5Very high98.3Very high2 Ų238.7 Ų38.71%0.0118%0.182CC..Hα-helixtrans-61.8-44.1178.8-75172.4000111.8H183 L185 T211 M212 L218 V219 I227 F244 W264H183-L215 HydrophobicContact CB-CD2 3.84Å; L185-L215 HydrophobicContact CD2-CD1 3.84Å; T211-L215 HydrophobicContact CG2-CD1 4.44Å; T211-L215 PolarHBondContact O-N 2.98Å; T211-L215 VanDerWaalsContact O-N 3.17Å; M212-L215 HydrophobicContact CE-CD1 3.96Å; M212-L215 PolarHBondContact O-N 2.88Å; M212-L215 HydrophobicContact SD-CD1 3.99Å; L215-L218 PolarHBondContact O-N 2.87Å; L215-V219 WeakPolarHBondContact O-CG2 3.32Å; L215-V219 PolarHBondContact O-N 2.96Å; L215-V219 VanDerWaalsContact O-N 3.09Å; L215-I227 HydrophobicContact CD2-CG2 4.45Å; L215-F244 HydrophobicContact CB-CD2 4.21Å; L215-F244 HydrophobicContact CB-CE2 3.62Å; L215-F244 HydrophobicContact CB-CZ 3.83Å; L215-F244 HydrophobicContact CD2-CZ 4.49Å; L215-W264 HydrophobicContact CD1-CZ3 4.42Å
216Y98.6Very high98.4Very high69 Ų6936.8 Ų36.827%0.27117%0.171SC..Hα-helixtrans-62.2-45.8175.5-77.9-79.6000111.8M212 E214 V219 L220 F244 W247M212-Y216 HydrophobicContact CB-CD2 4.37Å; M212-Y216 HydrophobicContact CB-CE2 4.28Å; M212-Y216 WeakPolarHBondContact O-CD2 3.31Å; M212-Y216 PolarHBondContact O-N 2.88Å; M212-Y216 HydrophobicContact SD-CE2 4.21Å; E214-Y216 PolarHBondContact O-N 2.97Å; Y216-V219 PolarHBondContact O-N 2.66Å; Y216-L220 WeakPolarHBondContact O-CB 3.3Å; Y216-L220 VanDerWaalsContact O-CG 3.26Å; Y216-L220 WeakPolarHBondContact O-CG 3.48Å; Y216-L220 PolarHBondContact O-N 3.11Å; Y216-F244 HydrophobicContact CD2-CD2 4.42Å; Y216-F244 HydrophobicContact CE1-CD2 4.36Å; Y216-F244 HydrophobicContact CE2-CD2 4.03Å; Y216-F244 AromaticContact CZ-CD2 3.98Å; Y216-W247 AromaticContact CD1-CD2 3.9Å; Y216-W247 HydrophobicContact CD1-CD2 3.9Å; Y216-W247 AromaticContact CD1-CE2 3.82Å; Y216-W247 AromaticContact CD1-CE3 3.81Å; Y216-W247 HydrophobicContact CD1-CE3 3.81Å; Y216-W247 AromaticContact CD1-CH2 3.59Å; Y216-W247 HydrophobicContact CD1-CH2 3.59Å; Y216-W247 AromaticContact CD1-CZ2 3.69Å; Y216-W247 HydrophobicContact CD1-CZ2 3.69Å; Y216-W247 AromaticContact CD1-CZ3 3.66Å; Y216-W247 HydrophobicContact CD1-CZ3 3.66Å; Y216-W247 HydrophobicContact CE1-CB 4.45Å; Y216-W247 AromaticContact CE1-CD2 3.32Å; Y216-W247 HydrophobicContact CE1-CD2 3.32Å; Y216-W247 AromaticContact CE1-CE2 3.6Å; Y216-W247 AromaticContact CE1-CE3 3.45Å; Y216-W247 HydrophobicContact CE1-CE3 3.45Å; Y216-W247 VanDerWaalsContact CE1-CE3 3.45Å; Y216-W247 AromaticContact CE1-CG 3.76Å; Y216-W247 HydrophobicContact CE1-CG 3.76Å; Y216-W247 HydrophobicContact CE1-CH2 4.08Å; Y216-W247 AromaticContact CE1-CZ2 3.98Å; Y216-W247 HydrophobicContact CE1-CZ2 3.98Å; Y216-W247 AromaticContact CE1-CZ3 3.83Å; Y216-W247 HydrophobicContact CE1-CZ3 3.83Å
217D98.6Very high98.4Very high34 Ų3436.8 Ų36.818%0.18217%0.171CC..Hα-helixtrans-60.7-48177.3179.852.4000111.4W144 P213 E214 V219 L220 R221W144-D217 PolarHBondContact NE1-OD2 3.13Å; P213-D217 WeakPolarHBondContact O-CB 3.28Å; P213-D217 PolarHBondContact O-N 3.47Å; E214-D217 PolarHBondContact O-N 2.67Å; D217-V219 VanDerWaalsContact C-N 3.3Å; D217-V219 PolarHBondContact O-N 2.81Å; D217-L220 PolarHBondContact O-N 2.79Å; D217-R221 WeakPolarHBondContact O-CB 3.45Å; D217-R221 PolarHBondContact O-N 2.77Å; D217-R221 IonicContact OD1-CZ 2.62Å; D217-R221 IonicContact OD1-NE 2.73Å; D217-R221 PolarHBondContact OD1-NE 3.33Å; D217-R221 IonicContact OD1-NH2 3.57Å; D217-R221 PolarHBondContact OD1-NH2 3.5Å; D217-R221 IonicContact OD2-CZ 3.09Å; D217-R221 IonicContact OD2-NE 3.4Å; D217-R221 PolarHBondContact OD2-NE 2.91Å; D217-R221 IonicContact OD2-NH2 2.81Å
218L98.6Very high98.4Very high1 Ų136.8 Ų36.81%0.00517%0.171CC..Hα-helixtrans-54.6-46.5177-78.8173.4000112A135 W144 V181 H183 E214 L215 Y222A135-L218 HydrophobicContact CB-CD1 3.99Å; A135-L218 HydrophobicContact CB-CD2 3.9Å; W144-L218 HydrophobicContact CD2-CD2 3.67Å; W144-L218 HydrophobicContact CD2-CG 4.41Å; W144-L218 HydrophobicContact CE3-CD2 3.78Å; W144-L218 HydrophobicContact CG-CD2 4.31Å; W144-L218 HydrophobicContact CH2-CD1 3.63Å; W144-L218 HydrophobicContact CH2-CD2 3.93Å; W144-L218 HydrophobicContact CH2-CG 3.78Å; W144-L218 HydrophobicContact CZ2-CD1 3.96Å; W144-L218 HydrophobicContact CZ2-CD2 3.8Å; W144-L218 HydrophobicContact CZ2-CG 3.58Å; W144-L218 HydrophobicContact CZ3-CD1 4.05Å; W144-L218 HydrophobicContact CZ3-CD2 3.91Å; W144-L218 HydrophobicContact CZ3-CG 4.24Å; V181-L218 HydrophobicContact CG2-CD1 4.36Å; H183-L218 HydrophobicContact CB-CD1 4.34Å; E214-L218 WeakPolarHBondContact O-CB 3.28Å; E214-L218 WeakPolarHBondContact O-CG 3.39Å; E214-L218 PolarHBondContact O-N 2.88Å; L215-L218 PolarHBondContact O-N 2.87Å; L218-Y222 HydrophobicContact CD2-CD2 3.69Å; L218-Y222 HydrophobicContact CD2-CE2 3.89Å; L218-Y222 WeakPolarHBondContact O-CB 3.38Å; L218-Y222 PolarHBondContact O-N 2.97Å
219V98.8Very high98.4Very high1 Ų130.7 Ų30.71%0.00614%0.142CC..Hα-helixtrans-66.3-47.7-179173.90000111.7L215 Y216 D217 K223 P224 I227 F244 W247 L248 V254L215-V219 WeakPolarHBondContact O-CG2 3.32Å; L215-V219 PolarHBondContact O-N 2.96Å; L215-V219 VanDerWaalsContact O-N 3.09Å; Y216-V219 PolarHBondContact O-N 2.66Å; D217-V219 VanDerWaalsContact C-N 3.3Å; D217-V219 PolarHBondContact O-N 2.81Å; V219-K223 WeakPolarHBondContact O-CA 3.25Å; V219-K223 PolarHBondContact O-N 2.75Å; V219-P224 HydrophobicContact CG2-CG 4.41Å; V219-I227 HydrophobicContact CG2-CD1 3.43Å; V219-I227 VanDerWaalsContact CG2-CD1 3.43Å; V219-I227 HydrophobicContact CG2-CG1 4.39Å; V219-F244 HydrophobicContact CG2-CZ 4.01Å; V219-W247 HydrophobicContact CB-CH2 3.87Å; V219-W247 HydrophobicContact CB-CZ3 4.04Å; V219-W247 HydrophobicContact CG1-CH2 3.57Å; V219-W247 HydrophobicContact CG1-CZ3 3.84Å; V219-W247 HydrophobicContact CG2-CZ3 4.29Å; V219-L248 HydrophobicContact CG1-CD1 4.02Å; V219-L248 HydrophobicContact CG2-CD1 4.05Å; V219-V254 HydrophobicContact CG1-CG2 3.96Å
220L98.7Very high98.4Very high93 Ų9326 Ų2649%0.48712%0.121SC..Hα-helixtrans-68.6-43.9-176.9-68.4171.9000111.8Y216 D217 K223 W247Y216-L220 WeakPolarHBondContact O-CB 3.3Å; Y216-L220 VanDerWaalsContact O-CG 3.26Å; Y216-L220 WeakPolarHBondContact O-CG 3.48Å; Y216-L220 PolarHBondContact O-N 3.11Å; D217-L220 PolarHBondContact O-N 2.79Å; L220-K223 PolarHBondContact O-NZ 2.95Å; L220-K223 VanDerWaalsContact O-NZ 3.11Å; L220-W247 HydrophobicContact CD2-CH2 4.44Å; L220-W247 HydrophobicContact CD2-CZ2 4.13Å; L220-W247 HydrophobicContact CG-CH2 4.4Å; L220-W247 HydrophobicContact CG-CZ2 4.41Å
221R98.5Very high98Very high106 Ų10625.1 Ų25.140%0.412%0.117SC..Hα-helixtrans-72.7-56.1-176.6-171.4177.9-63.6-105.40.9111.4D217D217-R221 WeakPolarHBondContact O-CB 3.45Å; D217-R221 PolarHBondContact O-N 2.77Å; D217-R221 IonicContact OD1-CZ 2.62Å; D217-R221 IonicContact OD1-NE 2.73Å; D217-R221 PolarHBondContact OD1-NE 3.33Å; D217-R221 IonicContact OD1-NH2 3.57Å; D217-R221 PolarHBondContact OD1-NH2 3.5Å; D217-R221 IonicContact OD2-CZ 3.09Å; D217-R221 IonicContact OD2-NE 3.4Å; D217-R221 PolarHBondContact OD2-NE 2.91Å; D217-R221 IonicContact OD2-NH2 2.81Å
222Y98.6Very high97.4Very high11 Ų1127.4 Ų27.44%0.04313%0.129CC..Hα-helixtrans-99.9-11.6-170-56.1-62.5000114.2W144 D162 V164 R172 L218W144-Y222 HydrophobicContact CB-CE2 3.91Å; W144-Y222 WeakPolarHBondContact CB-OH 3.42Å; W144-Y222 AromaticContact CD1-CE2 3.77Å; W144-Y222 AromaticContact CG-CE2 3.83Å; W144-Y222 HydrophobicContact CG-CE2 3.83Å; D162-Y222 PolarHBondContact OD1-OH 2.8Å; D162-Y222 PolarHBondContact OD2-OH 2.88Å; V164-Y222 HydrophobicContact CB-CD2 4.36Å; V164-Y222 HydrophobicContact CB-CE1 4.4Å; V164-Y222 HydrophobicContact CB-CE2 4.04Å; V164-Y222 HydrophobicContact CG1-CD1 3.96Å; V164-Y222 HydrophobicContact CG1-CD2 3.45Å; V164-Y222 VanDerWaalsContact CG1-CD2 3.45Å; V164-Y222 HydrophobicContact CG1-CE1 4.14Å; V164-Y222 HydrophobicContact CG1-CE2 3.62Å; V164-Y222 HydrophobicContact CG1-CG 3.63Å; R172-Y222 PolarHBondContact NH1-O 3.3Å; R172-Y222 PolarHBondContact NH2-O 2.99Å; L218-Y222 HydrophobicContact CD2-CD2 3.69Å; L218-Y222 HydrophobicContact CD2-CE2 3.89Å; L218-Y222 WeakPolarHBondContact O-CB 3.38Å; L218-Y222 PolarHBondContact O-N 2.97Å
223K98.8Very high97.1Very high98 Ų9827.9 Ų27.943%0.42614%0.135SC..  trans48.952.8178-56.9175.2-176.2590112.5R172 V219 L220 P253 V254R172-K223 PolarHBondContact NH2-O 3.41Å; V219-K223 WeakPolarHBondContact O-CA 3.25Å; V219-K223 PolarHBondContact O-N 2.75Å; L220-K223 PolarHBondContact O-NZ 2.95Å; L220-K223 VanDerWaalsContact O-NZ 3.11Å; K223-P253 HydrophobicContact CD-CB 4.4Å; K223-P253 HydrophobicContact CG-CB 4.34Å; K223-P253 HydrophobicContact CG-CG 4.05Å; K223-V254 HydrophobicContact CB-CG1 3.68Å; K223-V254 HydrophobicContact CG-CG1 4.5Å
224P98.8Very high96.9Very high0 Ų025.6 Ų25.60%012%0.12CC..  trans-67.2141.6179.832.7-34.2000110.6F179 V181 V219 I227F179-P224 CarbonylContact O-C 3.45Å; F179-P224 WeakPolarHBondContact O-CA 3.36Å; V181-P224 HydrophobicContact CG1-CB 4.22Å; V181-P224 HydrophobicContact CG2-CB 3.85Å; V181-P224 HydrophobicContact CG2-CG 3.79Å; V219-P224 HydrophobicContact CG2-CG 4.41Å; P224-I227 HydrophobicContact CG-CD1 4.44Å; P224-I227 HydrophobicContact CG-CG1 3.92Å
225E98.7Very high96.9Very high31 Ų3127.3 Ų27.315%0.14513%0.132CC..SBendtrans-95.6-7.6176.3-55.5-169.9-96.400112W49 R178 F179 T257 V258 V259W49-E225 HydrophobicContact CZ2-CB 4.2Å; R178-E225 HydrophobicContact CB-CB 4.2Å; R178-E225 WeakPolarHBondContact CB-OE1 3.48Å; R178-E225 WeakPolarHBondContact CD-OE1 3.49Å; R178-E225 VanDerWaalsContact CG-OE1 3.27Å; R178-E225 WeakPolarHBondContact CG-OE1 3.42Å; R178-E225 IonicContact CZ-OE2 3.75Å; R178-E225 IonicContact NH1-OE1 3.39Å; R178-E225 IonicContact NH1-OE2 2.87Å; R178-E225 PolarHBondContact NH1-OE2 2.79Å; F179-E225 PolarHBondContact O-N 2.83Å; E225-T257 WeakPolarHBondContact OE2-CB 3.39Å; E225-T257 PolarHBondContact OE2-OG1 2.55Å; E225-T257 VanDerWaalsContact OE2-OG1 3.06Å; E225-V258 CarbonylContact O-C 3.5Å; E225-V258 VanDerWaalsContact O-CA 3.28Å; E225-V258 WeakPolarHBondContact O-CA 3.39Å; E225-V259 PolarHBondContact O-N 3.07Å
226V98.9Very high96.8Very high0 Ų028.6 Ų28.60%014%0.138CC..EExtended strand (participates in β ladder)trans-128128165-1750000107.8W49 Y130 V132 G180 V181 V259W49-V226 HydrophobicContact CH2-CG2 3.71Å; W49-V226 HydrophobicContact CZ2-CG2 4.25Å; Y130-V226 HydrophobicContact CD2-CG2 3.99Å; V132-V226 HydrophobicContact CG2-CB 4.11Å; V132-V226 HydrophobicContact CG2-CG1 3.95Å; V132-V226 HydrophobicContact CG2-CG2 4.49Å; G180-V226 CarbonylContact C-O 3.57Å; G180-V226 WeakPolarHBondContact CA-O 3.45Å; V181-V226 PolarHBondContact N-O 3.42Å; V226-V259 WeakPolarHBondContact CA-O 3.17Å; V226-V259 HydrophobicContact CB-CG2 4.17Å; V226-V259 HydrophobicContact CG1-CG2 4.11Å; V226-V259 HydrophobicContact CG2-CG2 3.73Å
227I98.8Very high96.7Very high1 Ų130 Ų301%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-114.6104.7165.1-60.9162.4000106.3V181 L215 V219 P224 F244 L248 V258 V259 T260 W264V181-I227 HydrophobicContact CG2-CG1 4.46Å; V181-I227 WeakPolarHBondContact O-CA 3.37Å; L215-I227 HydrophobicContact CD2-CG2 4.45Å; V219-I227 HydrophobicContact CG2-CD1 3.43Å; V219-I227 VanDerWaalsContact CG2-CD1 3.43Å; V219-I227 HydrophobicContact CG2-CG1 4.39Å; P224-I227 HydrophobicContact CG-CD1 4.44Å; P224-I227 HydrophobicContact CG-CG1 3.92Å; I227-F244 HydrophobicContact CD1-CE1 4.34Å; I227-F244 HydrophobicContact CD1-CZ 4.23Å; I227-L248 HydrophobicContact CD1-CD1 3.59Å; I227-L248 HydrophobicContact CD1-CD2 3.68Å; I227-L248 HydrophobicContact CD1-CG 4.29Å; I227-V258 HydrophobicContact CD1-CG2 3.92Å; I227-V258 HydrophobicContact CG1-CG2 4.12Å; I227-V259 PolarHBondContact N-O 2.99Å; I227-T260 HydrophobicContact CB-CG2 4.22Å; I227-T260 WeakPolarHBondContact O-CA 3.37Å; I227-W264 HydrophobicContact CG2-CH2 3.81Å; I227-W264 HydrophobicContact CG2-CZ2 4.1Å
228W98.7Very high96.6Very high3 Ų328.5 Ų28.51%0.01115%0.146CC..EExtended strand (participates in β ladder)trans-91.5105175.6-155.3107.2000107.4V132 V181 Y182 H183 D230 E293 C295V132-W228 HydrophobicContact CG1-CB 4.1Å; V181-W228 PolarHBondContact O-N 2.76Å; Y182-W228 CarbonylContact C-O 3.49Å; Y182-W228 VanDerWaalsContact CA-O 3.23Å; Y182-W228 WeakPolarHBondContact CA-O 3.49Å; Y182-W228 HydrophobicContact CD2-CB 4.42Å; Y182-W228 AromaticContact CD2-CD2 3.87Å; Y182-W228 HydrophobicContact CD2-CD2 3.87Å; Y182-W228 AromaticContact CD2-CE3 3.14Å; Y182-W228 HydrophobicContact CD2-CE3 3.14Å; Y182-W228 HydrophobicContact CD2-CG 4.43Å; Y182-W228 AromaticContact CD2-CZ3 3.63Å; Y182-W228 HydrophobicContact CD2-CZ3 3.63Å; Y182-W228 HydrophobicContact CE2-CD2 4.4Å; Y182-W228 AromaticContact CE2-CE3 3.36Å; Y182-W228 HydrophobicContact CE2-CE3 3.36Å; Y182-W228 HydrophobicContact CE2-CH2 4.28Å; Y182-W228 AromaticContact CE2-CZ3 3.3Å; Y182-W228 HydrophobicContact CE2-CZ3 3.3Å; Y182-W228 HydrophobicContact CG-CE3 4.34Å; H183-W228 PolarHBondContact N-O 3.05Å; W228-D230 HydrophobicContact CE3-CB 4.39Å; W228-D230 HydrophobicContact CZ3-CB 3.79Å; W228-E293 PolarHBondContact NE1-OE1 2.85Å; W228-C295 HydrophobicContact CZ2-CB 4.22Å
229S98.4Very high96.6Very high0 Ų028.5 Ų28.50%015%0.146CC..EExtended strand (participates in β ladder)trans-88.4147.1179.5-173.80000110.1H183 L185 N261 R263H183-S229 WeakPolarHBondContact O-CA 3.33Å; L185-S229 WeakPolarHBondContact CD2-OG 3.48Å; L185-S229 WeakPolarHBondContact CG-OG 3.4Å; S229-N261 PolarHBondContact N-OD1 3.01Å; S229-N261 PolarHBondContact O-ND2 3.13Å; S229-N261 PolarHBondContact O-OD1 3.34Å; S229-R263 VanDerWaalsContact O-CB 3.31Å; S229-R263 WeakPolarHBondContact O-CB 3.22Å; S229-R263 PolarHBondContact OG-O 2.75Å
230D96.9Very high96.5Very high16 Ų1631.5 Ų31.59%0.08616%0.162CC..EExtended strand (participates in β ladder)trans-127.697.5169.7-154.1-25000110.3H138 Y182 H183 L185 W228H138-D230 IonicContact CE1-OD1 2.73Å; H138-D230 IonicContact CE1-OD2 3.1Å; H138-D230 PolarHBondContact CE1-OD2 3.28Å; H138-D230 IonicContact NE2-OD2 2.83Å; Y182-D230 HydrophobicContact CE2-CB 3.63Å; Y182-D230 WeakPolarHBondContact CE2-OD2 3.23Å; Y182-D230 WeakPolarHBondContact OH-CB 3.29Å; Y182-D230 VanDerWaalsContact OH-CG 3.29Å; Y182-D230 PolarHBondContact OH-OD2 2.8Å; H183-D230 PolarHBondContact O-N 2.92Å; L185-D230 PolarHBondContact N-O 3.47Å; W228-D230 HydrophobicContact CE3-CB 4.39Å; W228-D230 HydrophobicContact CZ3-CB 3.79Å
231G89.4Confident96.4Very high0 Ų027.1 Ų27.10%014%0.139CC..  trans-128.39.5-161.500000116.2A233 W239 R263 G265G231-A233 PolarHBondContact O-N 2.92Å; G231-W239 PolarHBondContact O-NE1 3.44Å; G231-R263 VanDerWaalsContact CA-O 3.29Å; G231-R263 WeakPolarHBondContact CA-O 3.48Å; G231-R263 PolarHBondContact N-O 2.9Å; G231-G265 WeakPolarHBondContact O-CA 3.2Å
232D83.6Confident96.4Very high48 Ų4823.1 Ų23.126%0.25713%0.127SC..  trans-77.534.9-168-54.9-33.1000113.9R263 I269D232-R263 WeakPolarHBondContact OD2-CD 3.21Å; D232-R263 WeakPolarHBondContact OD2-CG 3.22Å; D232-R263 IonicContact OD2-NE 2.63Å; D232-I269 HydrophobicContact CB-CD1 4.17Å; D232-I269 WeakPolarHBondContact OD1-CG1 3.24Å; D232-I269 WeakPolarHBondContact OD2-CD1 3.4Å
233A92.1Very high96.4Very high23 Ų2326.7 Ų26.719%0.1914%0.144CC..SBendtrans-137.246.9-178.800000111.4F186 Y193 F201 G231F186-A233 HydrophobicContact CB-CB 4.34Å; F186-A233 HydrophobicContact CD1-CB 3.65Å; F186-A233 HydrophobicContact CD2-CB 4.14Å; F186-A233 HydrophobicContact CE1-CB 3.83Å; F186-A233 HydrophobicContact CE2-CB 4.31Å; F186-A233 HydrophobicContact CG-CB 3.8Å; F186-A233 HydrophobicContact CZ-CB 4.16Å; Y193-A233 WeakPolarHBondContact OH-CB 3.17Å; Y193-A233 PolarHBondContact OH-O 3.49Å; F201-A233 WeakPolarHBondContact CZ-O 3.32Å; G231-A233 PolarHBondContact O-N 2.92Å
234G94.9Very high96.4Very high0 Ų022 Ų220%012%0.124CC..SBendtrans152.4151.1-179.400000111.4W239 G265 D266G234-W239 PolarHBondContact O-NE1 2.79Å; G234-G265 CarbonylContact O-C 3.34Å; G234-G265 VanDerWaalsContact O-CA 3.23Å; G234-G265 WeakPolarHBondContact O-CA 3.31Å; G234-D266 PolarHBondContact N-OD1 3.27Å; G234-D266 PolarHBondContact O-N 2.67Å
235P97Very high96.4Very high37 Ų3722.1 Ų22.124%0.2412%0.124CC..BIsolated β-bridgetrans-67.2152.5-177.527.7-34000111.8T237 Y238 W239P235-T237 PolarHBondContact O-N 3.14Å; P235-T237 VanDerWaalsContact O-N 3.14Å; P235-Y238 WeakPolarHBondContact O-CA 3.45Å; P235-Y238 WeakPolarHBondContact O-CB 3.47Å; P235-Y238 PolarHBondContact O-N 2.95Å; P235-W239 VanDerWaalsContact O-CD1 3.26Å; P235-W239 PolarHBondContact O-N 3.15Å; P235-W239 VanDerWaalsContact O-N 3.15Å
236D96.6Very high96.4Very high28 Ų2820.9 Ų20.915%0.1512%0.119CC..Hα-helixtrans-56.5-30.4176.268.8-47.2000113.1W38 W239 N240 S241 W264W38-D236 HydrophobicContact CZ2-CB 4.07Å; W38-D236 PolarHBondContact NE1-OD2 3.44Å; D236-W239 PolarHBondContact O-N 2.95Å; D236-N240 PolarHBondContact O-N 2.97Å; D236-S241 PolarHBondContact O-N 3.03Å; D236-S241 VanDerWaalsContact O-N 3.11Å; D236-W264 WeakPolarHBondContact CA-O 3.18Å
237T96.7Very high96.4Very high100 Ų10022.8 Ų22.861%0.61313%0.126SC*.Hα-helixtrans-65.6-38.5172.957.70000112.4Q204 P235 N240Q204-T237 PolarHBondContact NE2-O 2.75Å; P235-T237 PolarHBondContact O-N 3.14Å; P235-T237 VanDerWaalsContact O-N 3.14Å; T237-N240 PolarHBondContact O-N 3.22Å
238Y97.6Very high96.4Very high2 Ų222.7 Ų22.71%0.00813%0.126CC..Hα-helixtrans-65.9-45.5175164-111.6000110.2Y193 D196 F201 T203 Q204 V207 P235 N240Y193-Y238 HydrophobicContact CE2-CE1 4.45Å; D196-Y238 HydrophobicContact CB-CE2 3.68Å; D196-Y238 VanDerWaalsContact CB-OH 3.28Å; D196-Y238 WeakPolarHBondContact CB-OH 3.32Å; D196-Y238 WeakPolarHBondContact OD2-CE2 3.37Å; D196-Y238 PolarHBondContact OD2-OH 3.22Å; F201-Y238 HydrophobicContact CB-CD1 4.35Å; F201-Y238 HydrophobicContact CB-CD2 3.79Å; F201-Y238 HydrophobicContact CB-CE2 4.47Å; F201-Y238 HydrophobicContact CB-CG 3.74Å; F201-Y238 AromaticContact CD1-CD1 3.72Å; F201-Y238 HydrophobicContact CD1-CD1 3.72Å; F201-Y238 HydrophobicContact CD1-CD2 4.07Å; F201-Y238 AromaticContact CD1-CE1 3.66Å; F201-Y238 HydrophobicContact CD1-CE1 3.66Å; F201-Y238 HydrophobicContact CD1-CE2 4.06Å; F201-Y238 AromaticContact CD1-CG 3.93Å; F201-Y238 HydrophobicContact CD1-CG 3.93Å; F201-Y238 AromaticContact CD1-CZ 3.86Å; F201-Y238 HydrophobicContact CE1-CD1 4.3Å; F201-Y238 HydrophobicContact CE1-CE1 4.01Å; F201-Y238 HydrophobicContact CG-CD1 4.23Å; F201-Y238 HydrophobicContact CG-CD2 4.39Å; F201-Y238 HydrophobicContact CG-CG 4.12Å; T203-Y238 WeakPolarHBondContact O-CD2 3.43Å; T203-Y238 WeakPolarHBondContact O-CE2 3.49Å; Q204-Y238 HydrophobicContact CG-CD2 3.89Å; Q204-Y238 HydrophobicContact CG-CE2 4.27Å; Q204-Y238 WeakPolarHBondContact CG-O 3.48Å; Q204-Y238 PolarHBondContact NE2-O 2.93Å; V207-Y238 HydrophobicContact CG2-CD1 4.29Å; V207-Y238 HydrophobicContact CG2-CD2 4.23Å; V207-Y238 HydrophobicContact CG2-CE1 3.83Å; V207-Y238 HydrophobicContact CG2-CE2 3.72Å; V207-Y238 HydrophobicContact CG2-CG 4.48Å; V207-Y238 WeakPolarHBondContact CG2-O 3.32Å; P235-Y238 WeakPolarHBondContact O-CA 3.45Å; P235-Y238 WeakPolarHBondContact O-CB 3.47Å; P235-Y238 PolarHBondContact O-N 2.95Å; Y238-N240 PolarHBondContact O-N 2.91Å
239W97.7Very high96.3Very high0 Ų023.2 Ų23.20%013%0.128CC..Hα-helixtrans-68.2-16.8178.5-63.5122.8000114L185 F186 Y193 F206 V207 T211 M212 G231 G234 P235 D236 S241L185-W239 HydrophobicContact CB-CD2 3.82Å; L185-W239 HydrophobicContact CB-CE3 3.77Å; L185-W239 HydrophobicContact CB-CH2 3.97Å; L185-W239 HydrophobicContact CB-CZ2 4.01Å; L185-W239 HydrophobicContact CB-CZ3 3.86Å; L185-W239 HydrophobicContact CD1-CB 3.98Å; L185-W239 HydrophobicContact CD1-CD2 3.79Å; L185-W239 HydrophobicContact CD1-CE3 4.35Å; L185-W239 HydrophobicContact CD1-CG 3.58Å; L185-W239 HydrophobicContact CG-CD2 4.44Å; L185-W239 WeakPolarHBondContact O-CH2 3.37Å; L185-W239 WeakPolarHBondContact O-CZ3 3.28Å; F186-W239 HydrophobicContact CB-CH2 3.64Å; F186-W239 HydrophobicContact CB-CZ2 3.93Å; Y193-W239 AromaticContact CD2-CH2 4Å; Y193-W239 HydrophobicContact CD2-CH2 4Å; Y193-W239 AromaticContact CE2-CH2 3.73Å; Y193-W239 HydrophobicContact CE2-CH2 3.73Å; Y193-W239 HydrophobicContact CE2-CZ2 4.13Å; F206-W239 HydrophobicContact CD1-CH2 4.44Å; F206-W239 HydrophobicContact CD1-CZ3 4.02Å; F206-W239 HydrophobicContact CE1-CH2 4.2Å; F206-W239 AromaticContact CE1-CZ3 3.95Å; F206-W239 HydrophobicContact CE1-CZ3 3.95Å; V207-W239 VanDerWaalsContact CG1-O 3.32Å; V207-W239 WeakPolarHBondContact CG1-O 3.37Å; V207-W239 HydrophobicContact CG2-CE3 3.67Å; V207-W239 HydrophobicContact CG2-CZ3 3.94Å; T211-W239 HydrophobicContact CG2-CE3 4.35Å; T211-W239 HydrophobicContact CG2-CZ3 4.39Å; M212-W239 WeakPolarHBondContact CE-O 3.15Å; G231-W239 PolarHBondContact O-NE1 3.44Å; G234-W239 PolarHBondContact O-NE1 2.79Å; P235-W239 VanDerWaalsContact O-CD1 3.26Å; P235-W239 PolarHBondContact O-N 3.15Å; P235-W239 VanDerWaalsContact O-N 3.15Å; D236-W239 PolarHBondContact O-N 2.95Å; W239-S241 VanDerWaalsContact CB-OG 3.25Å; W239-S241 WeakPolarHBondContact CB-OG 3.11Å; W239-S241 PolarHBondContact O-N 3.45Å
240N96.6Very high96.3Very high65 Ų6524.5 Ų24.535%0.34814%0.135SC..THydrogen-bonded Turntrans5933.7-170.1-159.618.4000112.3V207 D236 T237 Y238 T242 Q243 F244V207-N240 HydrophobicContact CG1-CB 4.49Å; D236-N240 PolarHBondContact O-N 2.97Å; T237-N240 PolarHBondContact O-N 3.22Å; Y238-N240 PolarHBondContact O-N 2.91Å; N240-T242 PolarHBondContact O-N 3.38Å; N240-Q243 PolarHBondContact O-N 2.7Å; N240-Q243 WeakPolarHBondContact OD1-CB 3.37Å; N240-F244 PolarHBondContact O-N 3.37Å
241S98Very high96.3Very high0 Ų029.1 Ų29.10%016%0.156CC..Hα-helixtrans-61.9-41.3-171.4-66.90000112.7D236 W239 Q243 F244 L245 W264D236-S241 PolarHBondContact O-N 3.03Å; D236-S241 VanDerWaalsContact O-N 3.11Å; W239-S241 VanDerWaalsContact CB-OG 3.25Å; W239-S241 WeakPolarHBondContact CB-OG 3.11Å; W239-S241 PolarHBondContact O-N 3.45Å; S241-Q243 VanDerWaalsContact C-N 3.3Å; S241-Q243 PolarHBondContact O-N 2.88Å; S241-F244 PolarHBondContact O-N 3.38Å; S241-L245 WeakPolarHBondContact O-CB 3.38Å; S241-L245 VanDerWaalsContact O-CG 3.27Å; S241-L245 WeakPolarHBondContact O-CG 3.2Å; S241-L245 PolarHBondContact O-N 2.96Å; S241-W264 WeakPolarHBondContact CB-O 3.43Å; S241-W264 PolarHBondContact OG-O 2.79Å
242T98.2Very high96.8Very high22 Ų2229.2 Ų29.214%0.13516%0.157CC..Hα-helixtrans-65.7-34.1-178.660.70000112.4P36 W38 L41 N240 A246P36-T242 WeakPolarHBondContact O-CB 3.35Å; P36-T242 PolarHBondContact O-OG1 3.45Å; P36-T242 VanDerWaalsContact O-OG1 3.07Å; W38-T242 HydrophobicContact CD2-CG2 4.06Å; W38-T242 HydrophobicContact CG-CG2 4.43Å; W38-T242 HydrophobicContact CH2-CG2 4.46Å; W38-T242 HydrophobicContact CZ2-CG2 3.84Å; L41-T242 HydrophobicContact CD1-CG2 4.03Å; N240-T242 PolarHBondContact O-N 3.38Å; T242-A246 VanDerWaalsContact O-CB 3.28Å; T242-A246 WeakPolarHBondContact O-CB 3.48Å; T242-A246 PolarHBondContact O-N 2.98Å
243Q98.3Very high97.5Very high87 Ų8730.4 Ų30.441%0.40717%0.167SC..Hα-helixtrans-68.6-44.4175.8-173.264.134.500111.3N240 S241 A246 W247N240-Q243 PolarHBondContact O-N 2.7Å; N240-Q243 WeakPolarHBondContact OD1-CB 3.37Å; S241-Q243 VanDerWaalsContact C-N 3.3Å; S241-Q243 PolarHBondContact O-N 2.88Å; Q243-A246 PolarHBondContact O-N 2.86Å; Q243-W247 PolarHBondContact O-N 2.63Å
244F98.6Very high97.8Very high0 Ų029.6 Ų29.60%016%0.16CC..Hα-helixtrans-60.5-47.6174.8175.8-100.3000111.5M212 L215 Y216 V219 I227 N240 S241 A246 W247 L248 W264M212-F244 HydrophobicContact CE-CB 3.79Å; M212-F244 HydrophobicContact CE-CG 4.3Å; M212-F244 HydrophobicContact SD-CB 3.81Å; M212-F244 HydrophobicContact SD-CD2 3.99Å; M212-F244 HydrophobicContact SD-CG 4.08Å; L215-F244 HydrophobicContact CB-CD2 4.21Å; L215-F244 HydrophobicContact CB-CE2 3.62Å; L215-F244 HydrophobicContact CB-CZ 3.83Å; L215-F244 HydrophobicContact CD2-CZ 4.49Å; Y216-F244 HydrophobicContact CD2-CD2 4.42Å; Y216-F244 HydrophobicContact CE1-CD2 4.36Å; Y216-F244 HydrophobicContact CE2-CD2 4.03Å; Y216-F244 AromaticContact CZ-CD2 3.98Å; V219-F244 HydrophobicContact CG2-CZ 4.01Å; I227-F244 HydrophobicContact CD1-CE1 4.34Å; I227-F244 HydrophobicContact CD1-CZ 4.23Å; N240-F244 PolarHBondContact O-N 3.37Å; S241-F244 PolarHBondContact O-N 3.38Å; F244-A246 PolarHBondContact O-N 3.08Å; F244-W247 HydrophobicContact CD2-CE3 4.14Å; F244-W247 HydrophobicContact CD2-CZ3 4.37Å; F244-W247 AromaticContact CE2-CE3 3.93Å; F244-W247 HydrophobicContact CE2-CE3 3.93Å; F244-W247 AromaticContact CE2-CZ3 3.72Å; F244-W247 HydrophobicContact CE2-CZ3 3.72Å; F244-W247 HydrophobicContact CZ-CZ3 4.27Å; F244-W247 PolarHBondContact O-N 3.17Å; F244-L248 HydrophobicContact CE1-CD2 4.17Å; F244-L248 VanDerWaalsContact O-CB 3.3Å; F244-L248 WeakPolarHBondContact O-CB 3.14Å; F244-L248 PolarHBondContact O-N 2.88Å; F244-W264 AromaticContact CD1-CH2 3.81Å; F244-W264 HydrophobicContact CD1-CH2 3.81Å; F244-W264 AromaticContact CD1-CZ3 3.67Å; F244-W264 HydrophobicContact CD1-CZ3 3.67Å; F244-W264 AromaticContact CE1-CH2 3.63Å; F244-W264 HydrophobicContact CE1-CH2 3.63Å; F244-W264 AromaticContact CE1-CZ3 3.94Å; F244-W264 HydrophobicContact CE1-CZ3 3.94Å
245L98.7Very high97.9Very high1 Ų133.4 Ų33.41%0.00518%0.176CC..Hα-helixtrans-64.2-40.5179.4-69.7174.6000112.4W38 L41 S241 W247 L248 Y249 T260 W264W38-L245 HydrophobicContact CH2-CD1 3.61Å; W38-L245 HydrophobicContact CZ3-CD1 3.64Å; L41-L245 HydrophobicContact CD1-CB 3.92Å; L41-L245 HydrophobicContact CD1-CD1 4.27Å; L41-L245 HydrophobicContact CD2-CB 4.03Å; S241-L245 WeakPolarHBondContact O-CB 3.38Å; S241-L245 VanDerWaalsContact O-CG 3.27Å; S241-L245 WeakPolarHBondContact O-CG 3.2Å; S241-L245 PolarHBondContact O-N 2.96Å; L245-W247 PolarHBondContact O-N 3.36Å; L245-L248 HydrophobicContact CD2-CD2 4.15Å; L245-L248 WeakPolarHBondContact O-CB 3.29Å; L245-L248 PolarHBondContact O-N 3.28Å; L245-Y249 HydrophobicContact CB-CE2 4.19Å; L245-Y249 HydrophobicContact CD2-CE2 4.49Å; L245-Y249 VanDerWaalsContact O-CD2 3.27Å; L245-Y249 WeakPolarHBondContact O-CD2 3.24Å; L245-Y249 PolarHBondContact O-N 2.78Å; L245-T260 HydrophobicContact CD2-CG2 3.86Å; L245-W264 HydrophobicContact CD1-CD2 4.16Å; L245-W264 HydrophobicContact CD1-CG 4.15Å; L245-W264 HydrophobicContact CD2-CD2 4.25Å; L245-W264 HydrophobicContact CD2-CH2 4.11Å; L245-W264 HydrophobicContact CD2-CZ2 3.74Å; L245-W264 HydrophobicContact CG-CD2 4.38Å
246A98.5Very high97.9Very high6 Ų637.7 Ų37.75%0.0520%0.197CC..Hα-helixtrans-61.8-44174.700000111.4P36 L41 T242 Q243 F244 N250P36-A246 HydrophobicContact CB-CB 4Å; L41-A246 HydrophobicContact CD2-CB 4.24Å; T242-A246 VanDerWaalsContact O-CB 3.28Å; T242-A246 WeakPolarHBondContact O-CB 3.48Å; T242-A246 PolarHBondContact O-N 2.98Å; Q243-A246 PolarHBondContact O-N 2.86Å; F244-A246 PolarHBondContact O-N 3.08Å; A246-N250 VanDerWaalsContact O-CB 3.3Å; A246-N250 WeakPolarHBondContact O-CB 3.43Å; A246-N250 VanDerWaalsContact O-CG 3.29Å; A246-N250 PolarHBondContact O-N 3.32Å; A246-N250 VanDerWaalsContact O-N 3.16Å; A246-N250 PolarHBondContact O-ND2 2.9Å
247W98.6Very high97.9Very high39 Ų3938.3 Ų38.315%0.14820%0.202CC..Hα-helixtrans-61.5-46.6172.6168.183.4000111.6Y216 V219 L220 Q243 F244 L245 Y249 N250 E251 S252Y216-W247 AromaticContact CD1-CD2 3.9Å; Y216-W247 HydrophobicContact CD1-CD2 3.9Å; Y216-W247 AromaticContact CD1-CE2 3.82Å; Y216-W247 AromaticContact CD1-CE3 3.81Å; Y216-W247 HydrophobicContact CD1-CE3 3.81Å; Y216-W247 AromaticContact CD1-CH2 3.59Å; Y216-W247 HydrophobicContact CD1-CH2 3.59Å; Y216-W247 AromaticContact CD1-CZ2 3.69Å; Y216-W247 HydrophobicContact CD1-CZ2 3.69Å; Y216-W247 AromaticContact CD1-CZ3 3.66Å; Y216-W247 HydrophobicContact CD1-CZ3 3.66Å; Y216-W247 HydrophobicContact CE1-CB 4.45Å; Y216-W247 AromaticContact CE1-CD2 3.32Å; Y216-W247 HydrophobicContact CE1-CD2 3.32Å; Y216-W247 AromaticContact CE1-CE2 3.6Å; Y216-W247 AromaticContact CE1-CE3 3.45Å; Y216-W247 HydrophobicContact CE1-CE3 3.45Å; Y216-W247 VanDerWaalsContact CE1-CE3 3.45Å; Y216-W247 AromaticContact CE1-CG 3.76Å; Y216-W247 HydrophobicContact CE1-CG 3.76Å; Y216-W247 HydrophobicContact CE1-CH2 4.08Å; Y216-W247 AromaticContact CE1-CZ2 3.98Å; Y216-W247 HydrophobicContact CE1-CZ2 3.98Å; Y216-W247 AromaticContact CE1-CZ3 3.83Å; Y216-W247 HydrophobicContact CE1-CZ3 3.83Å; V219-W247 HydrophobicContact CB-CH2 3.87Å; V219-W247 HydrophobicContact CB-CZ3 4.04Å; V219-W247 HydrophobicContact CG1-CH2 3.57Å; V219-W247 HydrophobicContact CG1-CZ3 3.84Å; V219-W247 HydrophobicContact CG2-CZ3 4.29Å; L220-W247 HydrophobicContact CD2-CH2 4.44Å; L220-W247 HydrophobicContact CD2-CZ2 4.13Å; L220-W247 HydrophobicContact CG-CH2 4.4Å; L220-W247 HydrophobicContact CG-CZ2 4.41Å; Q243-W247 PolarHBondContact O-N 2.63Å; F244-W247 HydrophobicContact CD2-CE3 4.14Å; F244-W247 HydrophobicContact CD2-CZ3 4.37Å; F244-W247 AromaticContact CE2-CE3 3.93Å; F244-W247 HydrophobicContact CE2-CE3 3.93Å; F244-W247 AromaticContact CE2-CZ3 3.72Å; F244-W247 HydrophobicContact CE2-CZ3 3.72Å; F244-W247 HydrophobicContact CZ-CZ3 4.27Å; F244-W247 PolarHBondContact O-N 3.17Å; L245-W247 PolarHBondContact O-N 3.36Å; W247-Y249 VanDerWaalsContact C-N 3.27Å; W247-Y249 PolarHBondContact O-N 2.87Å; W247-N250 PolarHBondContact O-N 3.3Å; W247-E251 PolarHBondContact O-N 3.04Å; W247-S252 PolarHBondContact O-N 2.88Å
248L98.7Very high98Very high0 Ų033.6 Ų33.60%017%0.173CC..Hα-helixtrans-55.5-43.7-178.2-179.267.9000111.3V219 I227 F244 L245 S252 V254 K255 V258 T260V219-L248 HydrophobicContact CG1-CD1 4.02Å; V219-L248 HydrophobicContact CG2-CD1 4.05Å; I227-L248 HydrophobicContact CD1-CD1 3.59Å; I227-L248 HydrophobicContact CD1-CD2 3.68Å; I227-L248 HydrophobicContact CD1-CG 4.29Å; F244-L248 HydrophobicContact CE1-CD2 4.17Å; F244-L248 VanDerWaalsContact O-CB 3.3Å; F244-L248 WeakPolarHBondContact O-CB 3.14Å; F244-L248 PolarHBondContact O-N 2.88Å; L245-L248 HydrophobicContact CD2-CD2 4.15Å; L245-L248 WeakPolarHBondContact O-CB 3.29Å; L245-L248 PolarHBondContact O-N 3.28Å; L248-S252 VanDerWaalsContact O-CB 3.32Å; L248-S252 WeakPolarHBondContact O-CB 3.39Å; L248-S252 PolarHBondContact O-OG 2.78Å; L248-V254 HydrophobicContact CD1-CG2 4Å; L248-K255 WeakPolarHBondContact O-CA 3.17Å; L248-K255 WeakPolarHBondContact O-CB 2.95Å; L248-V258 HydrophobicContact CD1-CG1 4.06Å; L248-V258 HydrophobicContact CD1-CG2 4.26Å; L248-V258 HydrophobicContact CD2-CG1 4.01Å; L248-V258 HydrophobicContact CD2-CG2 4.08Å; L248-V258 HydrophobicContact CG-CG1 3.77Å; L248-V258 HydrophobicContact CG-CG2 4.44Å; L248-T260 HydrophobicContact CD2-CG2 3.65Å
249Y98Very high98.1Very high13 Ų1333.5 Ų33.55%0.05117%0.173CC..Hα-helixtrans-87.2-14-175.6-57.1-26.4000115L41 L245 W247 V258 T260L41-Y249 HydrophobicContact CD2-CD2 3.77Å; L41-Y249 HydrophobicContact CD2-CE2 4Å; L245-Y249 HydrophobicContact CB-CE2 4.19Å; L245-Y249 HydrophobicContact CD2-CE2 4.49Å; L245-Y249 VanDerWaalsContact O-CD2 3.27Å; L245-Y249 WeakPolarHBondContact O-CD2 3.24Å; L245-Y249 PolarHBondContact O-N 2.78Å; W247-Y249 VanDerWaalsContact C-N 3.27Å; W247-Y249 PolarHBondContact O-N 2.87Å; Y249-V258 HydrophobicContact CD1-CG1 4.06Å; Y249-V258 HydrophobicContact CE1-CG1 4.16Å; Y249-T260 HydrophobicContact CE1-CG2 4.3Å; Y249-T260 PolarHBondContact OH-OG1 3.11Å
250N97.8Very high98.1Very high28 Ų2833.5 Ų33.515%0.1517%0.173CC..Hα-helixtrans-105.1-40.6-179.6-70.4-51.2000113K33 Y34 A246 W247 K255K33-N250 WeakPolarHBondContact CA-OD1 3.48Å; K33-N250 HydrophobicContact CG-CB 4.33Å; K33-N250 VanDerWaalsContact CG-CG 3.49Å; K33-N250 WeakPolarHBondContact CG-ND2 3.48Å; K33-N250 WeakPolarHBondContact CG-OD1 3.22Å; Y34-N250 PolarHBondContact N-ND2 3.37Å; Y34-N250 PolarHBondContact N-OD1 2.85Å; Y34-N250 PolarHBondContact O-ND2 3.41Å; A246-N250 VanDerWaalsContact O-CB 3.3Å; A246-N250 WeakPolarHBondContact O-CB 3.43Å; A246-N250 VanDerWaalsContact O-CG 3.29Å; A246-N250 PolarHBondContact O-N 3.32Å; A246-N250 VanDerWaalsContact O-N 3.16Å; A246-N250 PolarHBondContact O-ND2 2.9Å; W247-N250 PolarHBondContact O-N 3.3Å; N250-K255 WeakPolarHBondContact O-CD 3.27Å; N250-K255 PolarHBondContact O-NZ 2.92Å
251E97.7Very high98.2Very high113 Ų11330.4 Ų30.453%0.52816%0.156SC..THydrogen-bonded Turntrans-124.2-26.8-159.2-65.5175.4-151.400113K33 W247K33-E251 IonicContact NZ-OE1 3.95Å; K33-E251 PolarHBondContact NZ-OE1 2.9Å; W247-E251 PolarHBondContact O-N 3.04Å
252S98.3Very high98.2Very high2 Ų230.4 Ų30.41%0.01416%0.156CC..SBendtrans-63157.3-177.987.10000113.3W247 L248 V254 K255W247-S252 PolarHBondContact O-N 2.88Å; L248-S252 VanDerWaalsContact O-CB 3.32Å; L248-S252 WeakPolarHBondContact O-CB 3.39Å; L248-S252 PolarHBondContact O-OG 2.78Å; S252-V254 PolarHBondContact O-N 3.5Å; S252-V254 VanDerWaalsContact O-N 3.11Å; S252-V254 WeakPolarHBondContact OG-CG2 3.1Å; S252-V254 PolarHBondContact OG-N 2.72Å; S252-K255 WeakPolarHBondContact O-CB 3.37Å; S252-K255 WeakPolarHBondContact O-CG 3.45Å; S252-K255 PolarHBondContact O-N 2.98Å; S252-K255 PolarHBondContact OG-N 2.86Å
253P98.3Very high98.2Very high72 Ų7230.1 Ų30.147%0.46815%0.152SC..THydrogen-bonded Turntrans-65.7-10.5176.327.1-36.4000114.3K223K223-P253 HydrophobicContact CD-CB 4.4Å; K223-P253 HydrophobicContact CG-CB 4.34Å; K223-P253 HydrophobicContact CG-CG 4.05Å
254V98.4Very high98.2Very high7 Ų726 Ų264%0.04213%0.133CC..THydrogen-bonded Turntrans-115.39.5-177.5-64.70000112.8V219 K223 L248 S252 D256 T257 V258V219-V254 HydrophobicContact CG1-CG2 3.96Å; K223-V254 HydrophobicContact CB-CG1 3.68Å; K223-V254 HydrophobicContact CG-CG1 4.5Å; L248-V254 HydrophobicContact CD1-CG2 4Å; S252-V254 PolarHBondContact O-N 3.5Å; S252-V254 VanDerWaalsContact O-N 3.11Å; S252-V254 WeakPolarHBondContact OG-CG2 3.1Å; S252-V254 PolarHBondContact OG-N 2.72Å; V254-D256 PolarHBondContact O-N 3.49Å; V254-T257 PolarHBondContact O-N 3.48Å; V254-T257 PolarHBondContact O-OG1 3.47Å; V254-V258 HydrophobicContact CB-CB 4.06Å; V254-V258 HydrophobicContact CG2-CB 3.75Å; V254-V258 HydrophobicContact CG2-CG1 4.11Å; V254-V258 HydrophobicContact CG2-CG2 4.16Å; V254-V258 WeakPolarHBondContact O-CB 3.46Å; V254-V258 VanDerWaalsContact O-CG1 3.31Å; V254-V258 WeakPolarHBondContact O-CG1 3.48Å; V254-V258 PolarHBondContact O-N 2.96Å
255K97.6Very high98.1Very high80 Ų8026 Ų2635%0.34813%0.133SC..THydrogen-bonded Turntrans-49.9-32.7-174.163.5-177.3-177.8178.20115.5R44 L248 N250 S252R44-K255 PolarHBondContact NH2-O 3.38Å; L248-K255 WeakPolarHBondContact O-CA 3.17Å; L248-K255 WeakPolarHBondContact O-CB 2.95Å; N250-K255 WeakPolarHBondContact O-CD 3.27Å; N250-K255 PolarHBondContact O-NZ 2.92Å; S252-K255 WeakPolarHBondContact O-CB 3.37Å; S252-K255 WeakPolarHBondContact O-CG 3.45Å; S252-K255 PolarHBondContact O-N 2.98Å; S252-K255 PolarHBondContact OG-N 2.86Å
256D96.5Very high97.9Very high127 Ų12729.8 Ų29.868%0.67915%0.153SC*.THydrogen-bonded Turntrans-87.7-14.1-177.6-60.3-48000113.4V254V254-D256 PolarHBondContact O-N 3.49Å
257T98Very high97.7Very high41 Ų4132 Ų3225%0.25218%0.177SC..THydrogen-bonded Turntrans-123.8-20.3-174.565.50000114.3W49 E225 V254W49-T257 PolarHBondContact NE1-O 3.14Å; E225-T257 WeakPolarHBondContact OE2-CB 3.39Å; E225-T257 PolarHBondContact OE2-OG1 2.55Å; E225-T257 VanDerWaalsContact OE2-OG1 3.06Å; V254-T257 PolarHBondContact O-N 3.48Å; V254-T257 PolarHBondContact O-OG1 3.47Å
258V98.7Very high97.6Very high0 Ų030.1 Ų30.10%017%0.17CC..  trans-70142-175.169.50000112.9R44 E225 I227 L248 Y249 V254R44-V258 PolarHBondContact NH1-O 3.39Å; R44-V258 PolarHBondContact NH2-O 2.74Å; E225-V258 CarbonylContact O-C 3.5Å; E225-V258 VanDerWaalsContact O-CA 3.28Å; E225-V258 WeakPolarHBondContact O-CA 3.39Å; I227-V258 HydrophobicContact CD1-CG2 3.92Å; I227-V258 HydrophobicContact CG1-CG2 4.12Å; L248-V258 HydrophobicContact CD1-CG1 4.06Å; L248-V258 HydrophobicContact CD1-CG2 4.26Å; L248-V258 HydrophobicContact CD2-CG1 4.01Å; L248-V258 HydrophobicContact CD2-CG2 4.08Å; L248-V258 HydrophobicContact CG-CG1 3.77Å; L248-V258 HydrophobicContact CG-CG2 4.44Å; Y249-V258 HydrophobicContact CD1-CG1 4.06Å; Y249-V258 HydrophobicContact CE1-CG1 4.16Å; V254-V258 HydrophobicContact CB-CB 4.06Å; V254-V258 HydrophobicContact CG2-CB 3.75Å; V254-V258 HydrophobicContact CG2-CG1 4.11Å; V254-V258 HydrophobicContact CG2-CG2 4.16Å; V254-V258 WeakPolarHBondContact O-CB 3.46Å; V254-V258 VanDerWaalsContact O-CG1 3.31Å; V254-V258 WeakPolarHBondContact O-CG1 3.48Å; V254-V258 PolarHBondContact O-N 2.96Å
259V98.7Very high97.5Very high0 Ų033.3 Ų33.30%019%0.186CC..EExtended strand (participates in β ladder)trans-124.4152.6169.7-59.70000110.8L46 P47 W49 Y50 E225 V226 I227 Y275L46-V259 HydrophobicContact CD2-CB 4.08Å; L46-V259 HydrophobicContact CD2-CG1 3.63Å; P47-V259 HydrophobicContact CG-CG1 4.22Å; W49-V259 HydrophobicContact CH2-CG2 4.24Å; W49-V259 HydrophobicContact CZ2-CG1 4.24Å; W49-V259 HydrophobicContact CZ2-CG2 3.98Å; Y50-V259 HydrophobicContact CD1-CG1 4.36Å; Y50-V259 HydrophobicContact CD2-CB 4.46Å; Y50-V259 HydrophobicContact CD2-CG1 4.33Å; Y50-V259 HydrophobicContact CD2-CG2 3.69Å; Y50-V259 HydrophobicContact CE2-CG2 3.92Å; Y50-V259 HydrophobicContact CG-CB 4.41Å; Y50-V259 HydrophobicContact CG-CG1 3.92Å; Y50-V259 HydrophobicContact CG-CG2 4.11Å; E225-V259 PolarHBondContact O-N 3.07Å; V226-V259 WeakPolarHBondContact CA-O 3.17Å; V226-V259 HydrophobicContact CB-CG2 4.17Å; V226-V259 HydrophobicContact CG1-CG2 4.11Å; V226-V259 HydrophobicContact CG2-CG2 3.73Å; I227-V259 PolarHBondContact N-O 2.99Å; V259-Y275 HydrophobicContact CB-CD1 4.22Å; V259-Y275 HydrophobicContact CB-CE1 4Å; V259-Y275 HydrophobicContact CG2-CD1 4.47Å; V259-Y275 HydrophobicContact CG2-CE1 3.87Å
260T98.6Very high97.4Very high0 Ų035.7 Ų35.70%020%0.204CC..EExtended strand (participates in β ladder)trans-138.7143.4-179.562.20000110.2I227 L245 L248 Y249 W264 G274 Y275I227-T260 HydrophobicContact CB-CG2 4.22Å; I227-T260 WeakPolarHBondContact O-CA 3.37Å; L245-T260 HydrophobicContact CD2-CG2 3.86Å; L248-T260 HydrophobicContact CD2-CG2 3.65Å; Y249-T260 HydrophobicContact CE1-CG2 4.3Å; Y249-T260 PolarHBondContact OH-OG1 3.11Å; T260-W264 HydrophobicContact CG2-CZ2 3.75Å; T260-G274 WeakPolarHBondContact O-CA 3.38Å; T260-G274 PolarHBondContact O-N 2.78Å; T260-Y275 VanDerWaalsContact O-CD1 3.24Å; T260-Y275 WeakPolarHBondContact O-CD1 3.33Å; T260-Y275 WeakPolarHBondContact O-CE1 3.4Å; T260-Y275 PolarHBondContact O-N 3.38Å; T260-Y275 VanDerWaalsContact O-N 3.16Å
261N98.3Very high97.4Very high0 Ų040 Ų400%022%0.221CC..  trans-75.8-165.5174.169.2-32.3000111.3S229 W264 G273 Y275S229-N261 PolarHBondContact N-OD1 3.01Å; S229-N261 PolarHBondContact O-ND2 3.13Å; S229-N261 PolarHBondContact O-OD1 3.34Å; N261-W264 PolarHBondContact O-NE1 3.5Å; N261-G273 WeakPolarHBondContact O-CA 3.34Å; N261-Y275 CarbonylContact C-O 3.5Å; N261-Y275 WeakPolarHBondContact CA-O 3.21Å; N261-Y275 HydrophobicContact CB-CD2 4.26Å; N261-Y275 HydrophobicContact CB-CE1 4.44Å; N261-Y275 HydrophobicContact CB-CE2 3.55Å
262D97.6Very high97.3Very high0 Ų035.5 Ų35.50%020%0.2CC..SBendtrans-107.18.9-171.959.7-18.5000114.9W264 C268 I269 C270 H272 Y275 Y276 S277 C278D262-W264 PolarHBondContact O-N 2.87Å; D262-C268 CarbonylContact O-C 3.58Å; D262-C268 WeakPolarHBondContact O-CB 3.45Å; D262-I269 PolarHBondContact O-N 3.17Å; D262-C270 WeakPolarHBondContact OD2-CA 3.47Å; D262-C270 PolarHBondContact OD2-N 3.04Å; D262-H272 VanDerWaalsContact CA-O 3.25Å; D262-H272 WeakPolarHBondContact CA-O 3.4Å; D262-H272 WeakPolarHBondContact CB-O 3.21Å; D262-Y275 PolarHBondContact N-O 2.8Å; D262-Y276 HydrophobicContact CB-CD1 4.12Å; D262-Y276 WeakPolarHBondContact OD2-CA 3.41Å; D262-S277 WeakPolarHBondContact OD1-CB 3.16Å; D262-S277 PolarHBondContact OD1-N 3.01Å; D262-S277 PolarHBondContact OD1-OG 2.91Å; D262-S277 PolarHBondContact OD2-N 2.81Å; D262-C278 PolarHBondContact OD2-N 3.47Å
263R97.9Very high97.1Very high16 Ų1635.6 Ų35.66%0.0620%0.202CC..  trans-100.852.5-176.7-59.2-174.2-178.9-152.9-0.2113S229 G231 D232 I269 S277 D279 D280S229-R263 VanDerWaalsContact O-CB 3.31Å; S229-R263 WeakPolarHBondContact O-CB 3.22Å; S229-R263 PolarHBondContact OG-O 2.75Å; G231-R263 VanDerWaalsContact CA-O 3.29Å; G231-R263 WeakPolarHBondContact CA-O 3.48Å; G231-R263 PolarHBondContact N-O 2.9Å; D232-R263 WeakPolarHBondContact OD2-CD 3.21Å; D232-R263 WeakPolarHBondContact OD2-CG 3.22Å; D232-R263 IonicContact OD2-NE 2.63Å; R263-I269 HydrophobicContact CG-CG1 4.42Å; R263-S277 PolarHBondContact NE-OG 3.39Å; R263-D279 VanDerWaalsContact NH2-C 3.3Å; R263-D280 IonicContact CZ-OD1 3.58Å; R263-D280 IonicContact NH1-OD1 3.84Å; R263-D280 PolarHBondContact NH1-OD1 3.46Å; R263-D280 VanDerWaalsContact NH2-N 3.19Å; R263-D280 IonicContact NH2-OD1 2.78Å; R263-D280 PolarHBondContact NH2-OD1 2.74Å
264W98Very high97Very high0 Ų032.6 Ų32.60%018%0.184CC..SBendtrans-95.213.8-177.5-70.494.6000113.7W38 L215 I227 D236 S241 F244 L245 T260 N261 D262W38-W264 HydrophobicContact CH2-CB 4Å; W38-W264 HydrophobicContact CH2-CG 4.44Å; W38-W264 HydrophobicContact CZ2-CB 4.46Å; L215-W264 HydrophobicContact CD1-CZ3 4.42Å; I227-W264 HydrophobicContact CG2-CH2 3.81Å; I227-W264 HydrophobicContact CG2-CZ2 4.1Å; D236-W264 WeakPolarHBondContact CA-O 3.18Å; S241-W264 WeakPolarHBondContact CB-O 3.43Å; S241-W264 PolarHBondContact OG-O 2.79Å; F244-W264 AromaticContact CD1-CH2 3.81Å; F244-W264 HydrophobicContact CD1-CH2 3.81Å; F244-W264 AromaticContact CD1-CZ3 3.67Å; F244-W264 HydrophobicContact CD1-CZ3 3.67Å; F244-W264 AromaticContact CE1-CH2 3.63Å; F244-W264 HydrophobicContact CE1-CH2 3.63Å; F244-W264 AromaticContact CE1-CZ3 3.94Å; F244-W264 HydrophobicContact CE1-CZ3 3.94Å; L245-W264 HydrophobicContact CD1-CD2 4.16Å; L245-W264 HydrophobicContact CD1-CG 4.15Å; L245-W264 HydrophobicContact CD2-CD2 4.25Å; L245-W264 HydrophobicContact CD2-CH2 4.11Å; L245-W264 HydrophobicContact CD2-CZ2 3.74Å; L245-W264 HydrophobicContact CG-CD2 4.38Å; T260-W264 HydrophobicContact CG2-CZ2 3.75Å; N261-W264 PolarHBondContact O-NE1 3.5Å; D262-W264 PolarHBondContact O-N 2.87Å
265G97.3Very high97Very high0 Ų032.3 Ų32.30%018%0.182CC..SBendtrans139.5170.2-177.700000113G231 G234 G267 C268G231-G265 WeakPolarHBondContact O-CA 3.2Å; G234-G265 CarbonylContact O-C 3.34Å; G234-G265 VanDerWaalsContact O-CA 3.23Å; G234-G265 WeakPolarHBondContact O-CA 3.31Å; G265-G267 PolarHBondContact O-N 3.15Å; G265-C268 VanDerWaalsContact O-CB 3.25Å; G265-C268 WeakPolarHBondContact O-CB 3.41Å; G265-C268 PolarHBondContact O-N 2.93Å
266D95.3Very high97Very high81 Ų8130.4 Ų30.443%0.43317%0.173SC..BIsolated β-bridgetrans-54.7127.3179.7-60-13000111G234 C268G234-D266 PolarHBondContact N-OD1 3.27Å; G234-D266 PolarHBondContact O-N 2.67Å; D266-C268 VanDerWaalsContact C-N 3.34Å
267G93.9Very high97Very high52 Ų5224.4 Ų24.454%0.53614%0.141SC..THydrogen-bonded Turntrans81.25-179.900000115.4G265 K271G265-G267 PolarHBondContact O-N 3.15Å; G267-K271 VanDerWaalsContact O-CD 3.24Å; G267-K271 WeakPolarHBondContact O-CD 3.28Å
268C97.1Very high96.8Very high1 Ų123.1 Ų23.11%0.00713%0.134CC..  trans-82.8-31.8171.5-670000113.4W38 D262 G265 D266 C270 K271 H272W38-C268 WeakPolarHBondContact CZ2-SG 3.19Å; D262-C268 CarbonylContact O-C 3.58Å; D262-C268 WeakPolarHBondContact O-CB 3.45Å; G265-C268 VanDerWaalsContact O-CB 3.25Å; G265-C268 WeakPolarHBondContact O-CB 3.41Å; G265-C268 PolarHBondContact O-N 2.93Å; D266-C268 VanDerWaalsContact C-N 3.34Å; C268-C270 PolarHBondContact O-N 2.66Å; C268-K271 WeakPolarHBondContact O-CB 3.2Å; C268-K271 PolarHBondContact O-N 3.29Å; C268-H272 HydrophobicContact CB-CB 4.12Å; C268-H272 PolarHBondContact O-N 2.88Å
269I96.2Very high96.6Very high66 Ų6628 Ų2834%0.33816%0.16SC..THydrogen-bonded Turntrans-50.9130.8-177.5-61.1179.9000111.5D232 D262 R263 K271 C278D232-I269 HydrophobicContact CB-CD1 4.17Å; D232-I269 WeakPolarHBondContact OD1-CG1 3.24Å; D232-I269 WeakPolarHBondContact OD2-CD1 3.4Å; D262-I269 PolarHBondContact O-N 3.17Å; R263-I269 HydrophobicContact CG-CG1 4.42Å; I269-K271 PolarHBondContact O-N 3.01Å; I269-K271 VanDerWaalsContact O-N 3.08Å; I269-C278 WeakPolarHBondContact CG2-O 3.33Å
270C95.8Very high96.4Very high64 Ų6430.6 Ų30.643%0.43217%0.174SC..THydrogen-bonded Turntrans5622.7178.2-140.80000114.1D262 C268 C278D262-C270 WeakPolarHBondContact OD2-CA 3.47Å; D262-C270 PolarHBondContact OD2-N 3.04Å; C268-C270 PolarHBondContact O-N 2.66Å; C270-C278 VanDerWaalsContact CA-SG 3.54Å; C270-C278 HydrophobicContact CB-CB 3.65Å; C270-C278 WeakPolarHBondContact CB-SG 3.5Å; C270-C278 WeakPolarHBondContact SG-CB 3.31Å; C270-C278 CovalentContact SG-SG 2.05Å; C270-C278 PolarHBondContact SG-SG 3.06Å
271K96.5Very high96.3Very high117 Ų11734.6 Ų34.651%0.50919%0.189SC..THydrogen-bonded Turntrans-138.4-51.7-173.2-172.8-168.5176.9-152.60112.7G267 C268 I269 Y276G267-K271 VanDerWaalsContact O-CD 3.24Å; G267-K271 WeakPolarHBondContact O-CD 3.28Å; C268-K271 WeakPolarHBondContact O-CB 3.2Å; C268-K271 PolarHBondContact O-N 3.29Å; I269-K271 PolarHBondContact O-N 3.01Å; I269-K271 VanDerWaalsContact O-N 3.08Å; K271-Y276 WeakPolarHBondContact O-CE1 3.13Å; K271-Y276 PolarHBondContact O-OH 3.39Å
272H96.6Very high96.2Very high19 Ų1936.5 Ų36.59%0.08820%0.197CC..SBendtrans-112.4168-175.7-67.3-46.8000111.2W38 D42 D262 C268W38-H272 VanDerWaalsContact CB-CE1 3.48Å; W38-H272 WeakPolarHBondContact CB-CE1 3.46Å; W38-H272 AromaticContact CD1-CD2 3.89Å; W38-H272 AromaticContact CD1-CE1 3.83Å; W38-H272 AromaticContact CD1-NE2 3.68Å; W38-H272 HydrophobicContact CD2-CB 3.85Å; W38-H272 AromaticContact CD2-CD2 3.86Å; W38-H272 AromaticContact CD2-CG 3.51Å; W38-H272 AromaticContact CD2-ND1 3.65Å; W38-H272 AromaticContact CE2-CD2 3.85Å; W38-H272 AromaticContact CE2-CG 3.88Å; W38-H272 HydrophobicContact CE3-CB 3.58Å; W38-H272 AromaticContact CE3-CG 3.74Å; W38-H272 AromaticContact CE3-ND1 3.91Å; W38-H272 AromaticContact CG-CD2 3.91Å; W38-H272 AromaticContact CG-CE1 3.49Å; W38-H272 VanDerWaalsContact CG-CE1 3.49Å; W38-H272 AromaticContact CG-CG 3.78Å; W38-H272 AromaticContact CG-ND1 3.51Å; W38-H272 AromaticContact CG-NE2 3.78Å; W38-H272 HydrophobicContact CH2-CB 4Å; W38-H272 HydrophobicContact CZ2-CB 4.24Å; W38-H272 HydrophobicContact CZ3-CB 3.68Å; W38-H272 AromaticContact NE1-CD2 3.86Å; D42-H272 IonicContact OD1-ND1 3.77Å; D42-H272 IonicContact OD2-CE1 3.68Å; D42-H272 IonicContact OD2-CG 3.94Å; D42-H272 IonicContact OD2-ND1 3.92Å; D42-H272 PolarHBondContact OD2-ND1 2.9Å; D262-H272 VanDerWaalsContact CA-O 3.25Å; D262-H272 WeakPolarHBondContact CA-O 3.4Å; D262-H272 WeakPolarHBondContact CB-O 3.21Å; C268-H272 HydrophobicContact CB-CB 4.12Å; C268-H272 PolarHBondContact O-N 2.88Å
273G94.2Very high96Very high4 Ų439.3 Ų39.34%0.04121%0.21CC..SBendtrans99.6169.4175.100000114D42 N261D42-G273 PolarHBondContact OD1-N 3.44Å; N261-G273 WeakPolarHBondContact O-CA 3.34Å
274G95.9Very high95.7Very high10 Ų1039.9 Ų39.910%0.10322%0.216CC..SBendtrans-69.7-35.7-174.900000112.6L46 T260 H290L46-G274 VanDerWaalsContact CD1-O 3.23Å; L46-G274 WeakPolarHBondContact CD1-O 3.37Å; L46-G274 WeakPolarHBondContact CD2-O 3.3Å; L46-G274 WeakPolarHBondContact CG-O 3.16Å; T260-G274 WeakPolarHBondContact O-CA 3.38Å; T260-G274 PolarHBondContact O-N 2.78Å; G274-H290 PolarHBondContact O-CE1 2.93Å; G274-H290 VanDerWaalsContact O-CE1 3.29Å
275Y98.1Very high95.5Very high0 Ų042.2 Ų42.20%024%0.24CC..SBendtrans-142.8157.6170.661.2-89.8000109.6Y50 V259 T260 N261 D262 K291 E293Y50-Y275 HydrophobicContact CD1-CD1 4.38Å; Y50-Y275 AromaticContact CE1-CD1 3.52Å; Y50-Y275 HydrophobicContact CE1-CD1 3.52Å; Y50-Y275 HydrophobicContact CE1-CD2 4.39Å; Y50-Y275 HydrophobicContact CE1-CE1 4.09Å; Y50-Y275 AromaticContact CE1-CG 3.69Å; Y50-Y275 HydrophobicContact CE1-CG 3.69Å; Y50-Y275 HydrophobicContact CE2-CD1 4.48Å; Y50-Y275 HydrophobicContact CE2-CE1 4.24Å; Y50-Y275 AromaticContact CZ-CD1 3.58Å; Y50-Y275 AromaticContact CZ-CE1 3.67Å; Y50-Y275 AromaticContact CZ-CG 3.83Å; Y50-Y275 VanDerWaalsContact OH-CD2 3.29Å; Y50-Y275 WeakPolarHBondContact OH-CD2 3.48Å; Y50-Y275 VanDerWaalsContact OH-CE2 3.27Å; Y50-Y275 WeakPolarHBondContact OH-CE2 3.12Å; V259-Y275 HydrophobicContact CB-CD1 4.22Å; V259-Y275 HydrophobicContact CB-CE1 4Å; V259-Y275 HydrophobicContact CG2-CD1 4.47Å; V259-Y275 HydrophobicContact CG2-CE1 3.87Å; T260-Y275 VanDerWaalsContact O-CD1 3.24Å; T260-Y275 WeakPolarHBondContact O-CD1 3.33Å; T260-Y275 WeakPolarHBondContact O-CE1 3.4Å; T260-Y275 PolarHBondContact O-N 3.38Å; T260-Y275 VanDerWaalsContact O-N 3.16Å; N261-Y275 CarbonylContact C-O 3.5Å; N261-Y275 WeakPolarHBondContact CA-O 3.21Å; N261-Y275 HydrophobicContact CB-CD2 4.26Å; N261-Y275 HydrophobicContact CB-CE1 4.44Å; N261-Y275 HydrophobicContact CB-CE2 3.55Å; D262-Y275 PolarHBondContact N-O 2.8Å; Y275-K291 CarbonylContact C-O 3.4Å; Y275-K291 VanDerWaalsContact CA-O 3.3Å; Y275-K291 WeakPolarHBondContact CA-O 3.47Å; Y275-K291 WeakPolarHBondContact CB-O 3.08Å; Y275-E293 HydrophobicContact CD2-CB 3.67Å; Y275-E293 HydrophobicContact CE2-CB 3.67Å; Y275-E293 HydrophobicContact CE2-CG 4.35Å
276Y97.6Very high95.4Very high41 Ų4149.1 Ų49.116%0.16127%0.27CS..BIsolated β-bridgetrans-92.1131179-57.4-23.7000111.5D262 K271 C278 H290 K291 W292 E293D262-Y276 HydrophobicContact CB-CD1 4.12Å; D262-Y276 WeakPolarHBondContact OD2-CA 3.41Å; K271-Y276 WeakPolarHBondContact O-CE1 3.13Å; K271-Y276 PolarHBondContact O-OH 3.39Å; Y276-C278 VanDerWaalsContact CB-SG 3.59Å; Y276-H290 AromaticContact CD1-ND1 3.76Å; Y276-H290 HydrophobicContact CD2-CB 3.77Å; Y276-H290 AromaticContact CD2-CG 3.95Å; Y276-H290 AromaticContact CD2-ND1 3.86Å; Y276-H290 AromaticContact CE1-CE1 3.74Å; Y276-H290 AromaticContact CE1-ND1 3.68Å; Y276-H290 HydrophobicContact CE2-CB 3.37Å; Y276-H290 AromaticContact CE2-CG 3.51Å; Y276-H290 AromaticContact CE2-ND1 3.8Å; Y276-H290 AromaticContact CG-ND1 3.84Å; Y276-H290 AromaticContact CZ-CD2 3.82Å; Y276-H290 AromaticContact CZ-CG 3.54Å; Y276-H290 AromaticContact CZ-ND1 3.7Å; Y276-K291 PolarHBondContact N-O 2.74Å; Y276-W292 CarbonylContact O-C 3.24Å; Y276-W292 WeakPolarHBondContact O-CA 3.27Å; Y276-W292 WeakPolarHBondContact O-CB 3.47Å; Y276-E293 PolarHBondContact O-N 2.84Å
277S96Very high95.3Very high0 Ų049.4 Ų49.40%027%0.271CS..  trans-93.6-30161.468.50000110.7D262 R263 D279 F282D262-S277 WeakPolarHBondContact OD1-CB 3.16Å; D262-S277 PolarHBondContact OD1-N 3.01Å; D262-S277 PolarHBondContact OD1-OG 2.91Å; D262-S277 PolarHBondContact OD2-N 2.81Å; R263-S277 PolarHBondContact NE-OG 3.39Å; S277-D279 PolarHBondContact O-N 2.72Å; S277-F282 WeakPolarHBondContact O-CB 3.38Å; S277-F282 WeakPolarHBondContact O-CD1 3.3Å; S277-F282 VanDerWaalsContact O-CG 3.31Å; S277-F282 WeakPolarHBondContact O-CG 3.14Å
278C95.3Very high95.2Very high15 Ų1548.6 Ų48.610%0.10126%0.256CS..  trans57.6-49.5-178.9-57.70000115.9D262 I269 C270 Y276 F282D262-C278 PolarHBondContact OD2-N 3.47Å; I269-C278 WeakPolarHBondContact CG2-O 3.33Å; C270-C278 VanDerWaalsContact CA-SG 3.54Å; C270-C278 HydrophobicContact CB-CB 3.65Å; C270-C278 WeakPolarHBondContact CB-SG 3.5Å; C270-C278 WeakPolarHBondContact SG-CB 3.31Å; C270-C278 CovalentContact SG-SG 2.05Å; C270-C278 PolarHBondContact SG-SG 3.06Å; Y276-C278 VanDerWaalsContact CB-SG 3.59Å; C278-F282 HydrophobicContact CB-CB 4.46Å; C278-F282 HydrophobicContact CB-CD1 3.91Å; C278-F282 HydrophobicContact CB-CD2 3.61Å; C278-F282 HydrophobicContact CB-CE1 3.96Å; C278-F282 HydrophobicContact CB-CE2 3.66Å; C278-F282 HydrophobicContact CB-CG 3.75Å; C278-F282 HydrophobicContact CB-CZ 3.83Å
279D94.6Very high94.9Very high102 Ų10258.8 Ų58.855%0.54530%0.3SS..SBendtrans-158.2166.8176.5-157.3-4.6000109.8R263 S277 R281 F282R263-D279 VanDerWaalsContact NH2-C 3.3Å; S277-D279 PolarHBondContact O-N 2.72Å; D279-R281 PolarHBondContact O-N 3.31Å; D279-F282 WeakPolarHBondContact O-CB 3.14Å; D279-F282 PolarHBondContact O-N 3.4Å
280D94.6Very high94.8Very high54 Ų5458.5 Ų58.529%0.28930%0.297SS..THydrogen-bonded Turntrans-59.8132.7167.4-7715.9000109.3R263 F282 W303R263-D280 IonicContact CZ-OD1 3.58Å; R263-D280 IonicContact NH1-OD1 3.84Å; R263-D280 PolarHBondContact NH1-OD1 3.46Å; R263-D280 VanDerWaalsContact NH2-N 3.19Å; R263-D280 IonicContact NH2-OD1 2.78Å; R263-D280 PolarHBondContact NH2-OD1 2.74Å; D280-F282 PolarHBondContact O-N 2.82Å; D280-W303 HydrophobicContact CB-CZ2 4.08Å; D280-W303 WeakPolarHBondContact OD2-CZ2 3.4Å; D280-W303 PolarHBondContact OD2-NE1 3.01Å
281R95.5Very high94.9Very high85 Ų8556.7 Ų56.732%0.32128%0.282SS..THydrogen-bonded Turntrans56.636.9-177.4-55.9157.5-17467.1-4.2112.6D279 H283 C295 M296 C300D279-R281 PolarHBondContact O-N 3.31Å; R281-H283 PolarHBondContact O-N 3.21Å; R281-H283 VanDerWaalsContact O-N 3.07Å; R281-C295 WeakPolarHBondContact CA-O 3.38Å; R281-C295 PolarHBondContact N-O 3.41Å; R281-M296 HydrophobicContact CB-CB 4.44Å; R281-M296 HydrophobicContact CG-CB 3.96Å; R281-C300 PolarHBondContact NE-O 2.97Å; R281-C300 PolarHBondContact NH2-O 3.34Å; R281-C300 VanDerWaalsContact NH2-O 3.11Å
282F96Very high95Very high39 Ų3951.1 Ų51.117%0.17126%0.258CS..  trans-58.8116-179.6179.5-121.1000111.8S277 C278 D279 D280 P284 W292 N294S277-F282 WeakPolarHBondContact O-CB 3.38Å; S277-F282 WeakPolarHBondContact O-CD1 3.3Å; S277-F282 VanDerWaalsContact O-CG 3.31Å; S277-F282 WeakPolarHBondContact O-CG 3.14Å; C278-F282 HydrophobicContact CB-CB 4.46Å; C278-F282 HydrophobicContact CB-CD1 3.91Å; C278-F282 HydrophobicContact CB-CD2 3.61Å; C278-F282 HydrophobicContact CB-CE1 3.96Å; C278-F282 HydrophobicContact CB-CE2 3.66Å; C278-F282 HydrophobicContact CB-CG 3.75Å; C278-F282 HydrophobicContact CB-CZ 3.83Å; D279-F282 WeakPolarHBondContact O-CB 3.14Å; D279-F282 PolarHBondContact O-N 3.4Å; D280-F282 PolarHBondContact O-N 2.82Å; F282-P284 HydrophobicContact CE1-CB 4.21Å; F282-P284 HydrophobicContact CE1-CG 4.11Å; F282-P284 HydrophobicContact CE2-CB 4.25Å; F282-P284 HydrophobicContact CZ-CB 3.77Å; F282-P284 HydrophobicContact CZ-CG 4.19Å; F282-W292 HydrophobicContact CD1-CD2 4.27Å; F282-W292 AromaticContact CD1-CE3 3.57Å; F282-W292 HydrophobicContact CD1-CE3 3.57Å; F282-W292 HydrophobicContact CD1-CZ3 4.05Å; F282-W292 HydrophobicContact CE1-CB 4.34Å; F282-W292 HydrophobicContact CE1-CD2 4.12Å; F282-W292 AromaticContact CE1-CE3 3.88Å; F282-W292 HydrophobicContact CE1-CE3 3.88Å; F282-W292 HydrophobicContact CE1-CG 4.35Å; F282-W292 VanDerWaalsContact O-CZ3 3.3Å; F282-W292 WeakPolarHBondContact O-CZ3 3.38Å; F282-N294 PolarHBondContact O-OD1 3.25Å
283H93Very high95.1Very high59 Ų5950.2 Ų50.227%0.27325%0.253SS..  trans-133.590.4-179.7-165.4-76.7000109.6R281 G285 E323 E326R281-H283 PolarHBondContact O-N 3.21Å; R281-H283 VanDerWaalsContact O-N 3.07Å; H283-G285 VanDerWaalsContact C-N 3.26Å; H283-G285 PolarHBondContact O-N 3.29Å; H283-E323 IonicContact CD2-OE2 2.98Å; H283-E323 PolarHBondContact CD2-OE2 3.01Å; H283-E326 IonicContact CE1-OE2 2.88Å; H283-E326 PolarHBondContact CE1-OE2 3.27Å; H283-E326 VanDerWaalsContact CE1-OE2 3.27Å; H283-E326 VanDerWaalsContact NE2-CB 3.34Å; H283-E326 WeakPolarHBondContact NE2-CB 3.21Å; H283-E326 IonicContact NE2-OE2 2.79Å
284P93.1Very high95.3Very high29 Ų2950.1 Ų50.119%0.18825%0.252CS..  trans-69.7-17.6-166.225.2-33.9000114.7F282 K286 V288 W292F282-P284 HydrophobicContact CE1-CB 4.21Å; F282-P284 HydrophobicContact CE1-CG 4.11Å; F282-P284 HydrophobicContact CE2-CB 4.25Å; F282-P284 HydrophobicContact CZ-CB 3.77Å; F282-P284 HydrophobicContact CZ-CG 4.19Å; P284-K286 HydrophobicContact CB-CG 4.36Å; P284-K286 PolarHBondContact O-N 2.7Å; P284-V288 HydrophobicContact CB-CG2 3.74Å; P284-V288 HydrophobicContact CG-CG2 3.68Å; P284-W292 HydrophobicContact CG-CD2 4.41Å; P284-W292 HydrophobicContact CG-CH2 3.79Å; P284-W292 HydrophobicContact CG-CZ2 3.65Å; P284-W292 HydrophobicContact CG-CZ3 4.22Å
285G92.8Very high95.4Very high49 Ų4949.6 Ų49.651%0.50525%0.247SC..SBendtrans62.311.5-176.700000114.6H283 F330H283-G285 VanDerWaalsContact C-N 3.26Å; H283-G285 PolarHBondContact O-N 3.29Å; G285-F330 WeakPolarHBondContact O-CZ 3.33Å
286K94.4Very high95.4Very high144 Ų14450 Ų5063%0.62625%0.248SC*.SBendtrans-154158.9-179.168.6-171.2178.4-174.10110P284 V288P284-K286 HydrophobicContact CB-CG 4.36Å; P284-K286 PolarHBondContact O-N 2.7Å; K286-V288 PolarHBondContact O-N 3.47Å
287L93.7Very high95.4Very high87 Ų8748.2 Ų48.246%0.45524%0.242SC..  trans-62.9128.8175-177.261.5000110.7P373L287-P373 HydrophobicContact CD1-CB 3.57Å; L287-P373 HydrophobicContact CD1-CG 3.55Å
288V91.9Very high95.5Very high35 Ų3548.2 Ų48.221%0.21224%0.242CC..  trans-107.2133175.5-1770000109P284 K286 H290 W292P284-V288 HydrophobicContact CB-CG2 3.74Å; P284-V288 HydrophobicContact CG-CG2 3.68Å; K286-V288 PolarHBondContact O-N 3.47Å; V288-H290 WeakPolarHBondContact CG1-O 3.5Å; V288-W292 HydrophobicContact CB-CG 4.38Å
289K90.9Very high95.6Very high216 Ų21647.5 Ų47.594%0.93924%0.237SC*.SBendtrans-70.7-40.6-176.8-177.1-178.5177.1-175.20112.7
290H94.7Very high95.6Very high59 Ų5945.1 Ų45.127%0.27323%0.228SC..SBendtrans-81.8148.9176.6-162.3-85.2000109.7G274 Y276 V288 W292G274-H290 PolarHBondContact O-CE1 2.93Å; G274-H290 VanDerWaalsContact O-CE1 3.29Å; Y276-H290 AromaticContact CD1-ND1 3.76Å; Y276-H290 HydrophobicContact CD2-CB 3.77Å; Y276-H290 AromaticContact CD2-CG 3.95Å; Y276-H290 AromaticContact CD2-ND1 3.86Å; Y276-H290 AromaticContact CE1-CE1 3.74Å; Y276-H290 AromaticContact CE1-ND1 3.68Å; Y276-H290 HydrophobicContact CE2-CB 3.37Å; Y276-H290 AromaticContact CE2-CG 3.51Å; Y276-H290 AromaticContact CE2-ND1 3.8Å; Y276-H290 AromaticContact CG-ND1 3.84Å; Y276-H290 AromaticContact CZ-CD2 3.82Å; Y276-H290 AromaticContact CZ-CG 3.54Å; Y276-H290 AromaticContact CZ-ND1 3.7Å; V288-H290 WeakPolarHBondContact CG1-O 3.5Å; H290-W292 PolarHBondContact O-N 3.38Å
291K97.3Very high95.5Very high26 Ų2646.1 Ų46.111%0.11324%0.239CC..  trans-63140.4174.8-173.164.5-176-178.60109.4L46 Y50 D51 Y275 Y276 G331 N333L46-K291 HydrophobicContact CD1-CB 3.53Å; L46-K291 HydrophobicContact CD1-CG 3.63Å; Y50-K291 HydrophobicContact CD1-CG 4.25Å; Y50-K291 HydrophobicContact CE1-CG 4.01Å; D51-K291 IonicContact OD1-NZ 2.74Å; D51-K291 PolarHBondContact OD1-NZ 2.84Å; Y275-K291 CarbonylContact C-O 3.4Å; Y275-K291 VanDerWaalsContact CA-O 3.3Å; Y275-K291 WeakPolarHBondContact CA-O 3.47Å; Y275-K291 WeakPolarHBondContact CB-O 3.08Å; Y276-K291 PolarHBondContact N-O 2.74Å; K291-G331 PolarHBondContact NZ-O 2.96Å; K291-N333 WeakPolarHBondContact CE-OD1 3.24Å; K291-N333 PolarHBondContact NZ-OD1 3.41Å
292W98.2Very high95.6Very high1 Ų142.2 Ų42.20%0.00422%0.224CC..BIsolated β-bridgetrans-142.8164.9-178.565.3-82.1000111.7Y276 F282 P284 V288 H290 N294 T327 F330 G332 N333Y276-W292 CarbonylContact O-C 3.24Å; Y276-W292 WeakPolarHBondContact O-CA 3.27Å; Y276-W292 WeakPolarHBondContact O-CB 3.47Å; F282-W292 HydrophobicContact CD1-CD2 4.27Å; F282-W292 AromaticContact CD1-CE3 3.57Å; F282-W292 HydrophobicContact CD1-CE3 3.57Å; F282-W292 HydrophobicContact CD1-CZ3 4.05Å; F282-W292 HydrophobicContact CE1-CB 4.34Å; F282-W292 HydrophobicContact CE1-CD2 4.12Å; F282-W292 AromaticContact CE1-CE3 3.88Å; F282-W292 HydrophobicContact CE1-CE3 3.88Å; F282-W292 HydrophobicContact CE1-CG 4.35Å; F282-W292 VanDerWaalsContact O-CZ3 3.3Å; F282-W292 WeakPolarHBondContact O-CZ3 3.38Å; P284-W292 HydrophobicContact CG-CD2 4.41Å; P284-W292 HydrophobicContact CG-CH2 3.79Å; P284-W292 HydrophobicContact CG-CZ2 3.65Å; P284-W292 HydrophobicContact CG-CZ3 4.22Å; V288-W292 HydrophobicContact CB-CG 4.38Å; H290-W292 PolarHBondContact O-N 3.38Å; W292-N294 HydrophobicContact CZ3-CB 3.82Å; W292-T327 HydrophobicContact CH2-CG2 3.74Å; W292-T327 HydrophobicContact CZ2-CG2 4.35Å; W292-T327 HydrophobicContact CZ3-CG2 4.07Å; W292-F330 HydrophobicContact CZ2-CB 3.77Å; W292-F330 PolarHBondContact NE1-O 3.08Å; W292-G332 CarbonylContact O-C 3.54Å; W292-G332 VanDerWaalsContact O-CA 3.31Å; W292-G332 WeakPolarHBondContact O-CA 3.41Å; W292-N333 PolarHBondContact O-N 3.23Å
293E98.6Very high95.7Very high0 Ų041.1 Ų41.10%022%0.219CC..EExtended strand (participates in β ladder)trans-133.1123.1-179.4-169.5177.980.300110.9Y50 Y130 W228 Y275 Y276 C295 N333 L335Y50-E293 WeakPolarHBondContact OH-CB 3.43Å; Y50-E293 VanDerWaalsContact OH-CD 3.25Å; Y50-E293 PolarHBondContact OH-OE2 3.48Å; Y130-E293 PolarHBondContact OH-OE2 3.04Å; W228-E293 PolarHBondContact NE1-OE1 2.85Å; Y275-E293 HydrophobicContact CD2-CB 3.67Å; Y275-E293 HydrophobicContact CE2-CB 3.67Å; Y275-E293 HydrophobicContact CE2-CG 4.35Å; Y276-E293 PolarHBondContact O-N 2.84Å; E293-C295 PolarHBondContact O-N 3.43Å; E293-C295 VanDerWaalsContact O-N 3.15Å; E293-N333 CarbonylContact C-O 3.58Å; E293-N333 WeakPolarHBondContact CA-O 3.45Å; E293-N333 HydrophobicContact CG-CB 4.22Å; E293-L335 HydrophobicContact CG-CB 3.81Å; E293-L335 WeakPolarHBondContact OE1-CD2 3.21Å
294N98.4Very high95.9Very high1 Ų138.4 Ų38.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-75.392.7166.1-176-0.3000108.4F282 W292 M296 E323 T327 N333 I334 L335F282-N294 PolarHBondContact O-OD1 3.25Å; W292-N294 HydrophobicContact CZ3-CB 3.82Å; N294-M296 PolarHBondContact O-N 3.36Å; N294-E323 PolarHBondContact ND2-OE2 3.21Å; N294-T327 HydrophobicContact CB-CG2 3.82Å; N294-T327 PolarHBondContact ND2-OG1 2.82Å; N294-T327 VanDerWaalsContact ND2-OG1 3.13Å; N294-N333 PolarHBondContact N-O 2.85Å; N294-I334 HydrophobicContact CB-CB 4.44Å; N294-I334 HydrophobicContact CB-CG1 4.09Å; N294-I334 WeakPolarHBondContact O-CA 3.24Å; N294-L335 PolarHBondContact O-N 3.01Å
295C98.2Very high96.1Very high0 Ų038.2 Ų38.20%020%0.203CC..EExtended strand (participates in β ladder)trans-82.8106.1173.2-164.10000108.5F58 W228 R281 E293 W303F58-C295 VanDerWaalsContact CD1-SG 3.53Å; W228-C295 HydrophobicContact CZ2-CB 4.22Å; R281-C295 WeakPolarHBondContact CA-O 3.38Å; R281-C295 PolarHBondContact N-O 3.41Å; E293-C295 PolarHBondContact O-N 3.43Å; E293-C295 VanDerWaalsContact O-N 3.15Å; C295-W303 HydrophobicContact CB-CH2 4.18Å; C295-W303 WeakPolarHBondContact O-CH2 3.35Å; C295-W303 WeakPolarHBondContact SG-CH2 3.38Å
296M98.1Very high96.3Very high7 Ų736.7 Ų36.73%0.03418%0.182CC..EExtended strand (participates in β ladder)trans-137175.9-172.766.484.613000111.7R281 N294 L315 L320 E323 I334 L335 I336 N337R281-M296 HydrophobicContact CB-CB 4.44Å; R281-M296 HydrophobicContact CG-CB 3.96Å; N294-M296 PolarHBondContact O-N 3.36Å; M296-L315 HydrophobicContact CE-CD1 3.78Å; M296-L315 HydrophobicContact SD-CD1 4.37Å; M296-L320 HydrophobicContact CE-CD1 3.64Å; M296-E323 HydrophobicContact CE-CB 3.93Å; M296-E323 HydrophobicContact CE-CG 4.19Å; M296-I334 HydrophobicContact CE-CD1 3.65Å; M296-I334 HydrophobicContact CE-CG1 4.46Å; M296-I334 HydrophobicContact CG-CD1 4.08Å; M296-I334 HydrophobicContact CG-CG1 4.02Å; M296-L335 PolarHBondContact N-O 2.86Å; M296-L335 VanDerWaalsContact O-O 3.08Å; M296-I336 HydrophobicContact CE-CG1 4.35Å; M296-I336 HydrophobicContact SD-CB 4.47Å; M296-I336 HydrophobicContact SD-CG1 4.25Å; M296-I336 HydrophobicContact SD-CG2 4.19Å; M296-N337 WeakPolarHBondContact O-CB 3.35Å; M296-N337 PolarHBondContact O-N 3.42Å
297T98.2Very high96.4Very high5 Ų536.2 Ų36.23%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-133.9148.9179.5176.20000111.5D299 S302 N337T297-D299 WeakPolarHBondContact CG2-O 3.44Å; T297-D299 PolarHBondContact O-N 3.24Å; T297-D299 PolarHBondContact OG1-N 3.44Å; T297-D299 PolarHBondContact OG1-O 3.41Å; T297-S302 PolarHBondContact OG1-O 3.25Å; T297-N337 PolarHBondContact OG1-ND2 3.49Å; T297-N337 PolarHBondContact OG1-O 2.94Å
298L98.2Very high96.5Very high0 Ų034.9 Ų34.90%017%0.167CC..SBendtrans-63.4-32.3172.7-65.8-176.9000112.6I314 L315 L320 I336 N337 V338 Y350 R353L298-I314 HydrophobicContact CB-CG2 4.46Å; L298-I314 CarbonylContact O-C 3.51Å; L298-I314 VanDerWaalsContact O-CA 3.29Å; L298-I314 WeakPolarHBondContact O-CA 3.48Å; L298-L315 PolarHBondContact O-N 2.73Å; L298-L320 HydrophobicContact CD2-CD1 3.77Å; L298-L320 HydrophobicContact CD2-CD2 3.79Å; L298-L320 HydrophobicContact CD2-CG 4.31Å; L298-I336 HydrophobicContact CD2-CG2 3.73Å; L298-I336 HydrophobicContact CG-CG2 3.86Å; L298-N337 PolarHBondContact N-O 2.89Å; L298-V338 HydrophobicContact CD1-CG1 3.89Å; L298-Y350 HydrophobicContact CB-CD1 4.09Å; L298-Y350 HydrophobicContact CB-CE1 4.14Å; L298-Y350 HydrophobicContact CD1-CD1 3.87Å; L298-Y350 HydrophobicContact CD1-CG 4.35Å; L298-R353 HydrophobicContact CD1-CB 3.8Å; L298-R353 HydrophobicContact CD1-CG 4.35Å; L298-R353 HydrophobicContact CD2-CB 4.4Å
299D97.5Very high96.7Very high0 Ų035 Ų350%017%0.166CC..BIsolated β-bridgetrans-83.4121.6171177.3-7.2000108.5T297 C301 S302 R306 I309T297-D299 WeakPolarHBondContact CG2-O 3.44Å; T297-D299 PolarHBondContact O-N 3.24Å; T297-D299 PolarHBondContact OG1-N 3.44Å; T297-D299 PolarHBondContact OG1-O 3.41Å; D299-C301 PolarHBondContact O-N 2.83Å; D299-C301 PolarHBondContact OD1-N 2.94Å; D299-S302 WeakPolarHBondContact OD2-CB 3.46Å; D299-R306 IonicContact OD1-CZ 2.81Å; D299-R306 IonicContact OD1-NE 3.73Å; D299-R306 PolarHBondContact OD1-NE 3.11Å; D299-R306 IonicContact OD1-NH2 3.9Å; D299-R306 PolarHBondContact OD1-NH2 3.47Å; D299-R306 IonicContact OD2-CZ 3.19Å; D299-R306 IonicContact OD2-NE 3.83Å; D299-R306 PolarHBondContact OD2-NE 2.88Å; D299-R306 IonicContact OD2-NH2 3.49Å; D299-R306 PolarHBondContact OD2-NH2 2.86Å; D299-I309 HydrophobicContact CB-CD1 3.92Å; D299-I309 VanDerWaalsContact CG-CD1 3.47Å; D299-I309 VanDerWaalsContact OD2-CD1 3.32Å; D299-I309 WeakPolarHBondContact OD2-CD1 3.27Å
300C93.9Very high97Very high52 Ų5228.1 Ų28.135%0.35114%0.143SC..THydrogen-bonded Turntrans-48.9-30-18060.40000113.9R281 K313R281-C300 PolarHBondContact NE-O 2.97Å; R281-C300 PolarHBondContact NH2-O 3.34Å; R281-C300 VanDerWaalsContact NH2-O 3.11Å; C300-K313 PolarHBondContact N-O 3.18Å; C300-K313 PolarHBondContact SG-O 3.14Å
301C93.6Very high97Very high75 Ų7530.6 Ų30.651%0.50716%0.157SC..THydrogen-bonded Turntrans-129.5-5.9-148.8-59.30000114.1D299D299-C301 PolarHBondContact O-N 2.83Å; D299-C301 PolarHBondContact OD1-N 2.94Å
302S96.9Very high97Very high2 Ų234.8 Ų34.81%0.01418%0.181CC..  trans-151.5143.7-178.9175.60000110.5R70 T71 E72 T297 D299 G304R70-S302 WeakPolarHBondContact O-CB 3.21Å; T71-S302 WeakPolarHBondContact CA-OG 3.33Å; E72-S302 PolarHBondContact OE2-OG 3.27Å; E72-S302 VanDerWaalsContact OE2-OG 3.13Å; T297-S302 PolarHBondContact OG1-O 3.25Å; D299-S302 WeakPolarHBondContact OD2-CB 3.46Å; S302-G304 PolarHBondContact OG-N 3.2Å; S302-G304 VanDerWaalsContact OG-N 3.15Å; S302-G304 PolarHBondContact OG-O 2.91Å
303W98Very high97Very high17 Ų1738.6 Ų38.66%0.06420%0.198CC..SBendtrans-82.8-36.7167.5-61.693.5000110.7F58 H60 E72 D280 C295 N337F58-W303 HydrophobicContact CD1-CE3 4.34Å; F58-W303 AromaticContact CD1-CZ3 3.83Å; F58-W303 HydrophobicContact CD1-CZ3 3.83Å; F58-W303 HydrophobicContact CE1-CE3 4.41Å; F58-W303 HydrophobicContact CE1-CZ3 4.05Å; H60-W303 HydrophobicContact CB-CB 4Å; H60-W303 VanDerWaalsContact CB-O 3.31Å; H60-W303 WeakPolarHBondContact CB-O 3.31Å; H60-W303 AromaticContact CE1-CD2 3.79Å; H60-W303 AromaticContact CE1-CE3 3.43Å; H60-W303 VanDerWaalsContact CE1-CE3 3.43Å; H60-W303 AromaticContact ND1-CE3 3.6Å; E72-W303 HydrophobicContact CG-CB 4.11Å; E72-W303 VanDerWaalsContact OE1-CD1 3.27Å; E72-W303 WeakPolarHBondContact OE2-CA 3.45Å; E72-W303 WeakPolarHBondContact OE2-CB 3.21Å; E72-W303 PolarHBondContact OE2-N 2.9Å; D280-W303 HydrophobicContact CB-CZ2 4.08Å; D280-W303 WeakPolarHBondContact OD2-CZ2 3.4Å; D280-W303 PolarHBondContact OD2-NE1 3.01Å; C295-W303 HydrophobicContact CB-CH2 4.18Å; C295-W303 WeakPolarHBondContact O-CH2 3.35Å; C295-W303 WeakPolarHBondContact SG-CH2 3.38Å; W303-N337 WeakPolarHBondContact CA-ND2 3.41Å; W303-N337 HydrophobicContact CE3-CB 3.56Å; W303-N337 HydrophobicContact CZ3-CB 3.7Å; W303-N337 PolarHBondContact O-ND2 2.97Å
304G97.6Very high96.9Very high1 Ų139 Ų391%0.0120%0.2CC..SBendtrans-79.6164.5177.400000114.3E72 S302E72-G304 PolarHBondContact OE2-N 2.85Å; S302-G304 PolarHBondContact OG-N 3.2Å; S302-G304 VanDerWaalsContact OG-N 3.15Å; S302-G304 PolarHBondContact OG-O 2.91Å
305F97.9Very high96.9Very high26 Ų2640.7 Ų40.711%0.11421%0.209CC..  trans-67.5133.3171.3175-106000111.3S68 R307 G339 P340 T341S68-F305 WeakPolarHBondContact CA-O 3.44Å; F305-R307 HydrophobicContact CE1-CB 4.09Å; F305-R307 HydrophobicContact CZ-CB 4.18Å; F305-G339 WeakPolarHBondContact CB-O 3.3Å; F305-P340 WeakPolarHBondContact CB-O 3.27Å; F305-T341 HydrophobicContact CD1-CG2 4.07Å; F305-T341 HydrophobicContact CD2-CG2 3.96Å; F305-T341 HydrophobicContact CE1-CG2 3.84Å; F305-T341 HydrophobicContact CE2-CG2 3.72Å; F305-T341 HydrophobicContact CG-CG2 4.15Å; F305-T341 HydrophobicContact CZ-CG2 3.67Å
306R97.1Very high96.8Very high16 Ų1643.1 Ų43.16%0.0622%0.223CC..  trans-133.4127.5172.169.2-168.3175.590.4-0.1111.4S68 R70 D299 E308 I309 K313S68-R306 CarbonylContact O-C 3.6Å; S68-R306 VanDerWaalsContact O-CA 3.31Å; S68-R306 WeakPolarHBondContact O-CA 3.42Å; R70-R306 VanDerWaalsContact O-CD 3.23Å; R70-R306 WeakPolarHBondContact O-CD 3.22Å; D299-R306 IonicContact OD1-CZ 2.81Å; D299-R306 IonicContact OD1-NE 3.73Å; D299-R306 PolarHBondContact OD1-NE 3.11Å; D299-R306 IonicContact OD1-NH2 3.9Å; D299-R306 PolarHBondContact OD1-NH2 3.47Å; D299-R306 IonicContact OD2-CZ 3.19Å; D299-R306 IonicContact OD2-NE 3.83Å; D299-R306 PolarHBondContact OD2-NE 2.88Å; D299-R306 IonicContact OD2-NH2 3.49Å; D299-R306 PolarHBondContact OD2-NH2 2.86Å; R306-E308 VanDerWaalsContact C-N 3.32Å; R306-E308 IonicContact NH1-OE1 3.7Å; R306-E308 PolarHBondContact O-N 2.88Å; R306-I309 HydrophobicContact CG-CB 3.98Å; R306-I309 WeakPolarHBondContact O-CB 3.35Å; R306-I309 VanDerWaalsContact O-CG2 3.24Å; R306-I309 WeakPolarHBondContact O-CG2 3.13Å; R306-I309 PolarHBondContact O-N 3.41Å; R306-K313 VanDerWaalsContact NH2-CB 3.34Å
307R95.9Very high96.7Very high134 Ų13443.3 Ų43.351%0.50623%0.225SC..THydrogen-bonded Turntrans-78-18-16970.4-173.8131.2167.8-4.7113.6P67 S68 Y91 F305 I309P67-R307 PolarHBondContact O-NE 2.98Å; P67-R307 PolarHBondContact O-NH2 3.32Å; S68-R307 WeakPolarHBondContact O-CG 3.39Å; S68-R307 PolarHBondContact O-N 3.12Å; S68-R307 PolarHBondContact OG-NE 3.3Å; Y91-R307 PolarHBondContact OH-NH2 3.18Å; F305-R307 HydrophobicContact CE1-CB 4.09Å; F305-R307 HydrophobicContact CZ-CB 4.18Å; R307-I309 VanDerWaalsContact C-N 3.31Å
308E95.8Very high96.6Very high59 Ų5947.1 Ų47.128%0.27624%0.243SC..THydrogen-bonded Turntrans-88.85.2176.880.7-66.8167.800113.5Y69 R70 R306Y69-E308 HydrophobicContact CD2-CG 4.2Å; Y69-E308 HydrophobicContact CE2-CG 4.2Å; R70-E308 VanDerWaalsContact CA-OE1 3.32Å; R70-E308 WeakPolarHBondContact CA-OE1 3.42Å; R70-E308 PolarHBondContact N-OE1 3.2Å; R306-E308 VanDerWaalsContact C-N 3.32Å; R306-E308 IonicContact NH1-OE1 3.7Å; R306-E308 PolarHBondContact O-N 2.88Å
309I96.1Very high96.6Very high37 Ų3751.9 Ų51.919%0.1927%0.265CS..  trans-58.4140.5177.7-168.3165.9000111.8D299 R306 R307 K313 I314D299-I309 HydrophobicContact CB-CD1 3.92Å; D299-I309 VanDerWaalsContact CG-CD1 3.47Å; D299-I309 VanDerWaalsContact OD2-CD1 3.32Å; D299-I309 WeakPolarHBondContact OD2-CD1 3.27Å; R306-I309 HydrophobicContact CG-CB 3.98Å; R306-I309 WeakPolarHBondContact O-CB 3.35Å; R306-I309 VanDerWaalsContact O-CG2 3.24Å; R306-I309 WeakPolarHBondContact O-CG2 3.13Å; R306-I309 PolarHBondContact O-N 3.41Å; R307-I309 VanDerWaalsContact C-N 3.31Å; I309-K313 HydrophobicContact CD1-CB 4.49Å; I309-K313 HydrophobicContact CG1-CB 4.09Å; I309-I314 HydrophobicContact CD1-CD1 3.83Å; I309-I314 HydrophobicContact CD1-CG1 3.53Å; I309-I314 HydrophobicContact CG1-CD1 4.26Å; I309-I314 HydrophobicContact CG1-CG1 4.1Å
310T96.4Very high96.6Very high72 Ų7251.9 Ų51.944%0.44227%0.265SS..  trans-112.4156.2173.352.70000110.1D312 K313T310-D312 WeakPolarHBondContact CB-OD1 3.14Å; T310-D312 PolarHBondContact O-N 2.86Å; T310-D312 PolarHBondContact OG1-OD1 3.28Å; T310-K313 WeakPolarHBondContact O-CB 3.39Å; T310-K313 PolarHBondContact O-N 3.46Å
311L95.9Very high96.8Very high111 Ų11149.5 Ų49.558%0.58125%0.249SC*.G310 helixtrans-60.2-32-173.7-17563000113.3K313 I314 I349L311-K313 PolarHBondContact O-N 3.33Å; L311-K313 VanDerWaalsContact O-N 3.13Å; L311-I314 PolarHBondContact O-N 3.17Å; L311-I349 HydrophobicContact CD1-CD1 3.74Å; L311-I349 HydrophobicContact CD1-CG1 3.99Å
312D97Very high96.9Very high115 Ų11547 Ų4762%0.61523%0.232SC*.G310 helixtrans-66.2-10.7177.468.2-67.4000113.7T310T310-D312 WeakPolarHBondContact CB-OD1 3.14Å; T310-D312 PolarHBondContact O-N 2.86Å; T310-D312 PolarHBondContact OG1-OD1 3.28Å
313K97.3Very high97Very high80 Ų8049.8 Ų49.835%0.34825%0.245SC..G310 helixtrans-94.2-5.3175-56.4-54178.9-139.80113.2C300 R306 I309 T310 L311C300-K313 PolarHBondContact N-O 3.18Å; C300-K313 PolarHBondContact SG-O 3.14Å; R306-K313 VanDerWaalsContact NH2-CB 3.34Å; I309-K313 HydrophobicContact CD1-CB 4.49Å; I309-K313 HydrophobicContact CG1-CB 4.09Å; T310-K313 WeakPolarHBondContact O-CB 3.39Å; T310-K313 PolarHBondContact O-N 3.46Å; L311-K313 PolarHBondContact O-N 3.33Å; L311-K313 VanDerWaalsContact O-N 3.13Å
314I97.6Very high97Very high10 Ų1049 Ų495%0.05124%0.242CC..BIsolated β-bridgetrans-106.8129.5-178.5-56.6174.2000108.4L298 I309 L311 T316 I349 Y350 R353L298-I314 HydrophobicContact CB-CG2 4.46Å; L298-I314 CarbonylContact O-C 3.51Å; L298-I314 VanDerWaalsContact O-CA 3.29Å; L298-I314 WeakPolarHBondContact O-CA 3.48Å; I309-I314 HydrophobicContact CD1-CD1 3.83Å; I309-I314 HydrophobicContact CD1-CG1 3.53Å; I309-I314 HydrophobicContact CG1-CD1 4.26Å; I309-I314 HydrophobicContact CG1-CG1 4.1Å; L311-I314 PolarHBondContact O-N 3.17Å; I314-T316 PolarHBondContact O-N 2.96Å; I314-I349 HydrophobicContact CD1-CB 4.27Å; I314-I349 HydrophobicContact CD1-CG1 3.73Å; I314-I349 HydrophobicContact CD1-CG2 3.53Å; I314-I349 HydrophobicContact CG2-CG1 4.31Å; I314-Y350 HydrophobicContact CD1-CE1 4.15Å; I314-Y350 HydrophobicContact CG1-CE1 4.37Å; I314-Y350 HydrophobicContact CG2-CE1 4.36Å; I314-R353 HydrophobicContact CG2-CG 4.4Å
315L97.4Very high97Very high36 Ų3649 Ų4919%0.18824%0.242CC..  trans-52.3136.5176.8-67.1178.9000110.9M296 L298 Q319 R353M296-L315 HydrophobicContact CE-CD1 3.78Å; M296-L315 HydrophobicContact SD-CD1 4.37Å; L298-L315 PolarHBondContact O-N 2.73Å; L315-Q319 HydrophobicContact CB-CB 4.34Å; L315-Q319 HydrophobicContact CD2-CB 4.11Å; L315-R353 VanDerWaalsContact O-CD 3.24Å; L315-R353 WeakPolarHBondContact O-CD 3.27Å; L315-R353 PolarHBondContact O-NE 3.14Å
316T97.1Very high97Very high50 Ų5049.7 Ų49.731%0.30725%0.245SC..  trans-72.4165.4170.780.40000110.6I314 E318 Q319 L320I314-T316 PolarHBondContact O-N 2.96Å; T316-E318 VanDerWaalsContact C-N 3.28Å; T316-E318 WeakPolarHBondContact CB-OE2 3.12Å; T316-E318 PolarHBondContact O-N 2.58Å; T316-E318 PolarHBondContact OG1-N 2.96Å; T316-E318 PolarHBondContact OG1-OE2 2.84Å; T316-Q319 PolarHBondContact O-N 2.72Å; T316-Q319 PolarHBondContact OG1-N 2.89Å; T316-L320 WeakPolarHBondContact O-CB 3.04Å; T316-L320 PolarHBondContact O-N 3.45Å
317P96.2Very high97.1Very high11 Ų1148.9 Ų48.97%0.07124%0.242CC..Hα-helixtrans-58.3-40175.5-25.438.1000112.6L320 I321 Q356 Y517P317-L320 PolarHBondContact O-N 3.21Å; P317-I321 WeakPolarHBondContact O-CB 3.3Å; P317-I321 WeakPolarHBondContact O-CD1 3.45Å; P317-I321 VanDerWaalsContact O-CG1 3.24Å; P317-I321 WeakPolarHBondContact O-CG1 3.01Å; P317-I321 PolarHBondContact O-N 3.04Å; P317-Q356 HydrophobicContact CB-CB 4.39Å; P317-Y517 HydrophobicContact CB-CD1 4.26Å; P317-Y517 HydrophobicContact CB-CD2 3.78Å; P317-Y517 HydrophobicContact CB-CE1 4.24Å; P317-Y517 HydrophobicContact CB-CE2 3.78Å; P317-Y517 HydrophobicContact CB-CG 4.02Å; P317-Y517 HydrophobicContact CG-CE2 4.35Å
318E95.8Very high97.2Very high86 Ų8642.5 Ų42.540%0.40222%0.218SC..Hα-helixtrans-61.5-47.1176.2-57.982.1174.300111.5T316 I321 S322 Y517T316-E318 VanDerWaalsContact C-N 3.28Å; T316-E318 WeakPolarHBondContact CB-OE2 3.12Å; T316-E318 PolarHBondContact O-N 2.58Å; T316-E318 PolarHBondContact OG1-N 2.96Å; T316-E318 PolarHBondContact OG1-OE2 2.84Å; E318-I321 PolarHBondContact O-N 2.87Å; E318-S322 WeakPolarHBondContact O-CB 3.25Å; E318-S322 PolarHBondContact O-N 3.22Å; E318-Y517 HydrophobicContact CG-CD1 3.58Å; E318-Y517 HydrophobicContact CG-CE1 4.45Å; E318-Y517 HydrophobicContact CG-CG 4.21Å; E318-Y517 WeakPolarHBondContact OE1-CD1 3.16Å; E318-Y517 WeakPolarHBondContact OE1-CE1 3.48Å
319Q96.7Very high97.2Very high99 Ų9939.7 Ų39.746%0.46321%0.205SC..Hα-helixtrans-63.3-47.5178.7-68.8174.4-36.500110.8L315 T316 I321 S322 E323L315-Q319 HydrophobicContact CB-CB 4.34Å; L315-Q319 HydrophobicContact CD2-CB 4.11Å; T316-Q319 PolarHBondContact O-N 2.72Å; T316-Q319 PolarHBondContact OG1-N 2.89Å; Q319-I321 VanDerWaalsContact C-N 3.34Å; Q319-I321 PolarHBondContact O-N 2.84Å; Q319-S322 PolarHBondContact O-N 2.71Å; Q319-E323 WeakPolarHBondContact O-CG 3.37Å; Q319-E323 PolarHBondContact O-N 2.86Å
320L98Very high97.2Very high1 Ų138.7 Ų38.71%0.00520%0.199CC..Hα-helixtrans-58.9-44.8177.9177.359.1000112.1M296 L298 T316 P317 E323 V324 I336 R353 L357M296-L320 HydrophobicContact CE-CD1 3.64Å; L298-L320 HydrophobicContact CD2-CD1 3.77Å; L298-L320 HydrophobicContact CD2-CD2 3.79Å; L298-L320 HydrophobicContact CD2-CG 4.31Å; T316-L320 WeakPolarHBondContact O-CB 3.04Å; T316-L320 PolarHBondContact O-N 3.45Å; P317-L320 PolarHBondContact O-N 3.21Å; L320-E323 PolarHBondContact O-N 3.08Å; L320-V324 VanDerWaalsContact O-CG2 3.3Å; L320-V324 WeakPolarHBondContact O-CG2 3.3Å; L320-V324 PolarHBondContact O-N 3.34Å; L320-V324 VanDerWaalsContact O-N 3.11Å; L320-I336 HydrophobicContact CD1-CD1 3.99Å; L320-I336 HydrophobicContact CD1-CG1 4.37Å; L320-I336 HydrophobicContact CD1-CG2 4.28Å; L320-R353 HydrophobicContact CD2-CB 4.26Å; L320-L357 HydrophobicContact CD2-CB 4.05Å; L320-L357 HydrophobicContact CD2-CD2 4.23Å
321I98.1Very high97.2Very high1 Ų135.8 Ų35.81%0.00518%0.184CC..Hα-helixtrans-68.9-37.5179.4-70.1163.6000111P317 E318 Q319 V324 I325 L357 W360 Y517 A518P317-I321 WeakPolarHBondContact O-CB 3.3Å; P317-I321 WeakPolarHBondContact O-CD1 3.45Å; P317-I321 VanDerWaalsContact O-CG1 3.24Å; P317-I321 WeakPolarHBondContact O-CG1 3.01Å; P317-I321 PolarHBondContact O-N 3.04Å; E318-I321 PolarHBondContact O-N 2.87Å; Q319-I321 VanDerWaalsContact C-N 3.34Å; Q319-I321 PolarHBondContact O-N 2.84Å; I321-V324 PolarHBondContact O-N 3.18Å; I321-I325 HydrophobicContact CG2-CD1 3.77Å; I321-I325 HydrophobicContact CG2-CG1 4.44Å; I321-I325 WeakPolarHBondContact O-CG1 3.31Å; I321-I325 PolarHBondContact O-N 3.38Å; I321-L357 HydrophobicContact CG1-CD1 4.23Å; I321-W360 HydrophobicContact CD1-CB 3.76Å; I321-W360 HydrophobicContact CD1-CD2 4.17Å; I321-W360 HydrophobicContact CD1-CG 3.71Å; I321-W360 HydrophobicContact CG1-CB 4.43Å; I321-W360 HydrophobicContact CG1-CD2 4.12Å; I321-W360 HydrophobicContact CG1-CE3 4.2Å; I321-W360 HydrophobicContact CG1-CG 4.19Å; I321-W360 HydrophobicContact CG2-CD2 3.79Å; I321-W360 HydrophobicContact CG2-CE3 4.12Å; I321-W360 HydrophobicContact CG2-CG 4.29Å; I321-W360 HydrophobicContact CG2-CH2 4.15Å; I321-W360 HydrophobicContact CG2-CZ2 3.81Å; I321-W360 HydrophobicContact CG2-CZ3 4.29Å; I321-Y517 HydrophobicContact CD1-CD2 4.15Å; I321-Y517 HydrophobicContact CD1-CG 4.33Å; I321-A518 HydrophobicContact CG2-CB 3.61Å
322S97Very high97.3Very high24 Ų2430.5 Ų30.517%0.16816%0.156CC..Hα-helixtrans-59.9-48.3173.3-158.30000111.1E318 Q319 V324 I325 E326E318-S322 WeakPolarHBondContact O-CB 3.25Å; E318-S322 PolarHBondContact O-N 3.22Å; Q319-S322 PolarHBondContact O-N 2.71Å; S322-V324 VanDerWaalsContact C-N 3.28Å; S322-V324 PolarHBondContact O-N 3.42Å; S322-I325 PolarHBondContact O-N 3.46Å; S322-I325 VanDerWaalsContact O-N 3.12Å; S322-E326 WeakPolarHBondContact O-CG 3.4Å; S322-E326 PolarHBondContact O-N 3Å; S322-E326 PolarHBondContact OG-OE1 3.49Å
323E97.6Very high97.4Very high60 Ų6025 Ų2528%0.2813%0.127SC..Hα-helixtrans-56.6-41.3176.9-73.4-65.515000112.2H283 N294 M296 Q319 L320 T327 I334H283-E323 IonicContact CD2-OE2 2.98Å; H283-E323 PolarHBondContact CD2-OE2 3.01Å; N294-E323 PolarHBondContact ND2-OE2 3.21Å; M296-E323 HydrophobicContact CE-CB 3.93Å; M296-E323 HydrophobicContact CE-CG 4.19Å; Q319-E323 WeakPolarHBondContact O-CG 3.37Å; Q319-E323 PolarHBondContact O-N 2.86Å; L320-E323 PolarHBondContact O-N 3.08Å; E323-T327 WeakPolarHBondContact O-CB 3.31Å; E323-T327 PolarHBondContact O-N 2.68Å; E323-T327 PolarHBondContact O-OG1 2.99Å; E323-I334 HydrophobicContact CB-CD1 4.1Å
324V98.5Very high97.4Very high0 Ų021.2 Ų21.20%011%0.11CC..Hα-helixtrans-63.5-48.6175.7171.70000111.1I55 L320 I321 S322 V328 I334 I336 L357 W360I55-V324 HydrophobicContact CD1-CG1 3.69Å; I55-V324 HydrophobicContact CG1-CG1 4.28Å; L320-V324 VanDerWaalsContact O-CG2 3.3Å; L320-V324 WeakPolarHBondContact O-CG2 3.3Å; L320-V324 PolarHBondContact O-N 3.34Å; L320-V324 VanDerWaalsContact O-N 3.11Å; I321-V324 PolarHBondContact O-N 3.18Å; S322-V324 VanDerWaalsContact C-N 3.28Å; S322-V324 PolarHBondContact O-N 3.42Å; V324-V328 WeakPolarHBondContact O-CB 3.43Å; V324-V328 VanDerWaalsContact O-CG2 3.25Å; V324-V328 WeakPolarHBondContact O-CG2 3.48Å; V324-V328 PolarHBondContact O-N 2.58Å; V324-I334 HydrophobicContact CG2-CD1 4.14Å; V324-I334 HydrophobicContact CG2-CG2 4.1Å; V324-I336 HydrophobicContact CG2-CD1 4.4Å; V324-L357 HydrophobicContact CG2-CD1 4.03Å; V324-W360 HydrophobicContact CG1-CZ3 4.16Å
325I98.3Very high97.5Very high0 Ų020.7 Ų20.70%011%0.108CC..Hα-helixtrans-61.8-51.4-179.1-71.1163.8000110.1I321 S322 T327 V328 T329 W360 W386 H426 T428 A518I321-I325 HydrophobicContact CG2-CD1 3.77Å; I321-I325 HydrophobicContact CG2-CG1 4.44Å; I321-I325 WeakPolarHBondContact O-CG1 3.31Å; I321-I325 PolarHBondContact O-N 3.38Å; S322-I325 PolarHBondContact O-N 3.46Å; S322-I325 VanDerWaalsContact O-N 3.12Å; I325-T327 PolarHBondContact O-N 3Å; I325-V328 PolarHBondContact O-N 2.77Å; I325-T329 HydrophobicContact CG2-CG2 4.06Å; I325-T329 WeakPolarHBondContact O-CB 3.39Å; I325-T329 WeakPolarHBondContact O-CG2 3.42Å; I325-T329 PolarHBondContact O-N 2.7Å; I325-T329 PolarHBondContact O-OG1 2.86Å; I325-W360 HydrophobicContact CD1-CH2 4.25Å; I325-W360 HydrophobicContact CD1-CZ2 3.88Å; I325-W360 HydrophobicContact CG1-CH2 3.89Å; I325-W360 HydrophobicContact CG1-CZ2 4.01Å; I325-W386 HydrophobicContact CG2-CB 3.65Å; I325-W386 HydrophobicContact CG2-CG 3.75Å; I325-H426 HydrophobicContact CD1-CB 4.04Å; I325-H426 HydrophobicContact CG1-CB 4.21Å; I325-H426 HydrophobicContact CG2-CB 3.76Å; I325-T428 HydrophobicContact CD1-CG2 3.78Å; I325-A518 HydrophobicContact CD1-CB 3.93Å
326E97.3Very high97.6Very high41 Ų4119 Ų1919%0.19210%0.099CC..Hα-helixtrans-60.4-47.3-178.9-68.2-170-132.800111.1H283 S322 V328 T329 F330 W386H283-E326 IonicContact CE1-OE2 2.88Å; H283-E326 PolarHBondContact CE1-OE2 3.27Å; H283-E326 VanDerWaalsContact CE1-OE2 3.27Å; H283-E326 VanDerWaalsContact NE2-CB 3.34Å; H283-E326 WeakPolarHBondContact NE2-CB 3.21Å; H283-E326 IonicContact NE2-OE2 2.79Å; S322-E326 WeakPolarHBondContact O-CG 3.4Å; S322-E326 PolarHBondContact O-N 3Å; S322-E326 PolarHBondContact OG-OE1 3.49Å; E326-V328 PolarHBondContact O-N 3.18Å; E326-T329 PolarHBondContact O-N 3.34Å; E326-T329 PolarHBondContact O-OG1 3.2Å; E326-F330 VanDerWaalsContact O-CD2 3.22Å; E326-F330 WeakPolarHBondContact O-CD2 3.39Å; E326-F330 PolarHBondContact O-N 3.47Å; E326-F330 VanDerWaalsContact O-N 3.08Å; E326-W386 HydrophobicContact CB-CH2 4.46Å; E326-W386 VanDerWaalsContact CD-CZ2 3.47Å; E326-W386 HydrophobicContact CG-CD2 4.26Å; E326-W386 HydrophobicContact CG-CE3 4.35Å; E326-W386 HydrophobicContact CG-CH2 3.57Å; E326-W386 HydrophobicContact CG-CZ2 3.49Å; E326-W386 VanDerWaalsContact CG-CZ2 3.49Å; E326-W386 HydrophobicContact CG-CZ3 4.03Å; E326-W386 WeakPolarHBondContact OE2-CH2 3.48Å
327T98.1Very high97.6Very high0 Ų016.7 Ų16.70%08%0.084CC..Hα-helixtrans-56.3-48.7177.5-62.40000111.8W292 N294 E323 I325 F330 G331 G332 N333 I334W292-T327 HydrophobicContact CH2-CG2 3.74Å; W292-T327 HydrophobicContact CZ2-CG2 4.35Å; W292-T327 HydrophobicContact CZ3-CG2 4.07Å; N294-T327 HydrophobicContact CB-CG2 3.82Å; N294-T327 PolarHBondContact ND2-OG1 2.82Å; N294-T327 VanDerWaalsContact ND2-OG1 3.13Å; E323-T327 WeakPolarHBondContact O-CB 3.31Å; E323-T327 PolarHBondContact O-N 2.68Å; E323-T327 PolarHBondContact O-OG1 2.99Å; I325-T327 PolarHBondContact O-N 3Å; T327-F330 PolarHBondContact O-N 2.86Å; T327-G331 PolarHBondContact O-N 2.69Å; T327-G332 WeakPolarHBondContact O-CA 3.41Å; T327-G332 PolarHBondContact O-N 2.86Å; T327-N333 WeakPolarHBondContact CG2-O 3.42Å; T327-I334 HydrophobicContact CG2-CB 3.97Å
328V98Very high97.8Very high0 Ų016.1 Ų16.10%08%0.081CC..Hα-helixtrans-70.5-37.5-176.8174.30000111.7K54 V324 I325 E326 F330 G331 I368 T388K54-V328 HydrophobicContact CB-CG2 4.03Å; K54-V328 HydrophobicContact CD-CG1 4.22Å; K54-V328 HydrophobicContact CD-CG2 4.31Å; K54-V328 HydrophobicContact CG-CG1 4.4Å; K54-V328 HydrophobicContact CG-CG2 4.27Å; V324-V328 WeakPolarHBondContact O-CB 3.43Å; V324-V328 VanDerWaalsContact O-CG2 3.25Å; V324-V328 WeakPolarHBondContact O-CG2 3.48Å; V324-V328 PolarHBondContact O-N 2.58Å; I325-V328 PolarHBondContact O-N 2.77Å; E326-V328 PolarHBondContact O-N 3.18Å; V328-F330 VanDerWaalsContact C-N 3.26Å; V328-F330 PolarHBondContact O-N 3.29Å; V328-G331 PolarHBondContact O-N 3.47Å; V328-I368 HydrophobicContact CG1-CG2 4.46Å; V328-I368 HydrophobicContact CG2-CG2 4.11Å; V328-T388 HydrophobicContact CG1-CG2 3.99Å
329T96.9Very high97.9Very high0 Ų012.1 Ų12.10%06%0.062CC..Hα-helixtrans-66.7-28.2177.964.20000112.5I325 E326 G331 P373 Q377 W386 T388I325-T329 HydrophobicContact CG2-CG2 4.06Å; I325-T329 WeakPolarHBondContact O-CB 3.39Å; I325-T329 WeakPolarHBondContact O-CG2 3.42Å; I325-T329 PolarHBondContact O-N 2.7Å; I325-T329 PolarHBondContact O-OG1 2.86Å; E326-T329 PolarHBondContact O-N 3.34Å; E326-T329 PolarHBondContact O-OG1 3.2Å; T329-G331 VanDerWaalsContact C-N 3.33Å; T329-P373 VanDerWaalsContact O-CB 3.28Å; T329-P373 WeakPolarHBondContact O-CB 3.49Å; T329-Q377 WeakPolarHBondContact O-CG 3.41Å; T329-W386 HydrophobicContact CG2-CB 3.63Å; T329-T388 HydrophobicContact CG2-CG2 3.81Å
330F96.8Very high97.9Very high15 Ų157.4 Ų7.47%0.0664%0.04CC..THydrogen-bonded Turntrans-89.58.4170.9-67.7-51.4000114.3G285 W292 E326 T327 V328 Q377 W386G285-F330 WeakPolarHBondContact O-CZ 3.33Å; W292-F330 HydrophobicContact CZ2-CB 3.77Å; W292-F330 PolarHBondContact NE1-O 3.08Å; E326-F330 VanDerWaalsContact O-CD2 3.22Å; E326-F330 WeakPolarHBondContact O-CD2 3.39Å; E326-F330 PolarHBondContact O-N 3.47Å; E326-F330 VanDerWaalsContact O-N 3.08Å; T327-F330 PolarHBondContact O-N 2.86Å; V328-F330 VanDerWaalsContact C-N 3.26Å; V328-F330 PolarHBondContact O-N 3.29Å; F330-Q377 HydrophobicContact CD1-CB 4.15Å; F330-Q377 HydrophobicContact CD1-CG 3.93Å; F330-Q377 HydrophobicContact CE1-CB 3.89Å; F330-Q377 HydrophobicContact CE1-CG 4.1Å; F330-W386 HydrophobicContact CE2-CH2 4.31Å; F330-W386 AromaticContact CE2-CZ3 3.78Å; F330-W386 HydrophobicContact CE2-CZ3 3.78Å; F330-W386 HydrophobicContact CZ-CH2 4.45Å; F330-W386 AromaticContact CZ-CZ3 3.76Å; F330-W386 HydrophobicContact CZ-CZ3 3.76Å
331G95.7Very high98Very high11 Ų117.4 Ų7.411%0.1134%0.041CC..THydrogen-bonded Turntrans89.43.3170.900000115.1K291 T327 V328 T329K291-G331 PolarHBondContact NZ-O 2.96Å; T327-G331 PolarHBondContact O-N 2.69Å; V328-G331 PolarHBondContact O-N 3.47Å; T329-G331 VanDerWaalsContact C-N 3.33Å
332G97.8Very high98Very high0 Ų08.3 Ų8.30%05%0.047CC..  trans-76.6166.5-179.600000113.4W292 T327W292-G332 CarbonylContact O-C 3.54Å; W292-G332 VanDerWaalsContact O-CA 3.31Å; W292-G332 WeakPolarHBondContact O-CA 3.41Å; T327-G332 WeakPolarHBondContact O-CA 3.41Å; T327-G332 PolarHBondContact O-N 2.86Å
333N98.7Very high98Very high0 Ų011.4 Ų11.40%06%0.056CC..EExtended strand (participates in β ladder)trans-98.5160.6151.2-74.53.7000108.8Y50 K54 K291 W292 E293 N294 T327Y50-N333 WeakPolarHBondContact CE2-ND2 3.45Å; Y50-N333 VanDerWaalsContact CZ-ND2 3.34Å; Y50-N333 PolarHBondContact O-ND2 2.89Å; Y50-N333 PolarHBondContact O-OD1 2.97Å; K54-N333 WeakPolarHBondContact CA-OD1 2.99Å; K54-N333 CarbonylContact O-C 3.52Å; K54-N333 WeakPolarHBondContact O-CA 3.41Å; K54-N333 WeakPolarHBondContact O-CB 3.19Å; K291-N333 WeakPolarHBondContact CE-OD1 3.24Å; K291-N333 PolarHBondContact NZ-OD1 3.41Å; W292-N333 PolarHBondContact O-N 3.23Å; E293-N333 CarbonylContact C-O 3.58Å; E293-N333 WeakPolarHBondContact CA-O 3.45Å; E293-N333 HydrophobicContact CG-CB 4.22Å; N294-N333 PolarHBondContact N-O 2.85Å; T327-N333 WeakPolarHBondContact CG2-O 3.42Å
334I98.8Very high98.1Very high0 Ų08.6 Ų8.60%04%0.042CC..EExtended strand (participates in β ladder)trans-118.5137.9171.2-167166.9000109.1K54 I55 G56 Y130 N294 M296 E323 V324 T327 I336K54-I334 PolarHBondContact O-N 3.32Å; I55-I334 CarbonylContact C-O 3.19Å; I55-I334 WeakPolarHBondContact CA-O 3.08Å; I55-I334 HydrophobicContact CB-CG2 4.29Å; I55-I334 HydrophobicContact CG1-CG2 3.92Å; I55-I334 HydrophobicContact CG2-CG2 4.21Å; G56-I334 PolarHBondContact N-O 3.5Å; Y130-I334 PolarHBondContact OH-O 3.33Å; Y130-I334 VanDerWaalsContact OH-O 3.11Å; N294-I334 HydrophobicContact CB-CB 4.44Å; N294-I334 HydrophobicContact CB-CG1 4.09Å; N294-I334 WeakPolarHBondContact O-CA 3.24Å; M296-I334 HydrophobicContact CE-CD1 3.65Å; M296-I334 HydrophobicContact CE-CG1 4.46Å; M296-I334 HydrophobicContact CG-CD1 4.08Å; M296-I334 HydrophobicContact CG-CG1 4.02Å; E323-I334 HydrophobicContact CB-CD1 4.1Å; V324-I334 HydrophobicContact CG2-CD1 4.14Å; V324-I334 HydrophobicContact CG2-CG2 4.1Å; T327-I334 HydrophobicContact CG2-CB 3.97Å; I334-I336 HydrophobicContact CD1-CG1 4.25Å; I334-I336 HydrophobicContact CG1-CG1 3.97Å; I334-I336 HydrophobicContact CG2-CD1 4.32Å; I334-I336 HydrophobicContact CG2-CG1 4.38Å
335L98.8Very high98.1Very high0 Ų010.6 Ų10.60%06%0.055CC..EExtended strand (participates in β ladder)trans-122.4105.2178.3176.658.3000107.7I57 F58 Y130 V132 E293 N294 M296I57-L335 VanDerWaalsContact C-CD1 3.46Å; F58-L335 HydrophobicContact CB-CD1 3.69Å; F58-L335 HydrophobicContact CB-CD2 4.17Å; F58-L335 HydrophobicContact CB-CG 3.71Å; F58-L335 HydrophobicContact CD1-CD2 3.8Å; F58-L335 HydrophobicContact CD1-CG 4.06Å; F58-L335 HydrophobicContact CE1-CD2 4.43Å; F58-L335 HydrophobicContact CG-CD1 4.35Å; F58-L335 HydrophobicContact CG-CD2 3.99Å; F58-L335 HydrophobicContact CG-CG 4.09Å; Y130-L335 HydrophobicContact CE2-CD1 3.88Å; V132-L335 HydrophobicContact CG2-CD1 4.18Å; V132-L335 HydrophobicContact CG2-CD2 4.23Å; E293-L335 HydrophobicContact CG-CB 3.81Å; E293-L335 WeakPolarHBondContact OE1-CD2 3.21Å; N294-L335 PolarHBondContact O-N 3.01Å; M296-L335 PolarHBondContact N-O 2.86Å; M296-L335 VanDerWaalsContact O-O 3.08Å
336I98.8Very high98.1Very high0 Ų010.8 Ų10.80%06%0.056CC..EExtended strand (participates in β ladder)trans-98.4112.6-166.8-57.6161000109.5I55 G56 I57 F58 M296 L298 L320 V324 I334 L357I55-I336 HydrophobicContact CG2-CD1 3.96Å; G56-I336 PolarHBondContact O-N 3.42Å; I57-I336 WeakPolarHBondContact CA-O 3.12Å; I57-I336 HydrophobicContact CD1-CB 4.37Å; F58-I336 PolarHBondContact N-O 3.38Å; M296-I336 HydrophobicContact CE-CG1 4.35Å; M296-I336 HydrophobicContact SD-CB 4.47Å; M296-I336 HydrophobicContact SD-CG1 4.25Å; M296-I336 HydrophobicContact SD-CG2 4.19Å; L298-I336 HydrophobicContact CD2-CG2 3.73Å; L298-I336 HydrophobicContact CG-CG2 3.86Å; L320-I336 HydrophobicContact CD1-CD1 3.99Å; L320-I336 HydrophobicContact CD1-CG1 4.37Å; L320-I336 HydrophobicContact CD1-CG2 4.28Å; V324-I336 HydrophobicContact CG2-CD1 4.4Å; I334-I336 HydrophobicContact CD1-CG1 4.25Å; I334-I336 HydrophobicContact CG1-CG1 3.97Å; I334-I336 HydrophobicContact CG2-CD1 4.32Å; I334-I336 HydrophobicContact CG2-CG1 4.38Å; I336-L357 HydrophobicContact CD1-CD2 3.55Å
337N98.8Very high98Very high1 Ų110.1 Ų10.11%0.0056%0.055CC..EExtended strand (participates in β ladder)trans-84.7137.8-177.4175.978.1000114.2F58 H60 M296 T297 L298 W303F58-N337 HydrophobicContact CB-CB 3.89Å; F58-N337 HydrophobicContact CD1-CB 4.43Å; F58-N337 HydrophobicContact CG-CB 4.45Å; F58-N337 CarbonylContact O-C 3.51Å; F58-N337 VanDerWaalsContact O-CA 3.27Å; F58-N337 WeakPolarHBondContact O-CA 3.23Å; F58-N337 PolarHBondContact O-OD1 3.45Å; H60-N337 PolarHBondContact N-OD1 3.44Å; H60-N337 VanDerWaalsContact N-OD1 3.14Å; H60-N337 PolarHBondContact ND1-OD1 2.88Å; M296-N337 WeakPolarHBondContact O-CB 3.35Å; M296-N337 PolarHBondContact O-N 3.42Å; T297-N337 PolarHBondContact OG1-ND2 3.49Å; T297-N337 PolarHBondContact OG1-O 2.94Å; L298-N337 PolarHBondContact N-O 2.89Å; W303-N337 WeakPolarHBondContact CA-ND2 3.41Å; W303-N337 HydrophobicContact CE3-CB 3.56Å; W303-N337 HydrophobicContact CZ3-CB 3.7Å; W303-N337 PolarHBondContact O-ND2 2.97Å
338V98.5Very high98Very high0 Ų014.7 Ų14.70%09%0.085CC..EExtended strand (participates in β ladder)trans-121.5136.5163.7-63.10000110I57 F58 I59 H60 L298 P340 Y350 L354I57-V338 HydrophobicContact CG2-CG2 4.27Å; F58-V338 PolarHBondContact O-N 3.27Å; I59-V338 WeakPolarHBondContact CA-O 3.16Å; I59-V338 HydrophobicContact CG1-CG2 4.45Å; H60-V338 PolarHBondContact N-O 3.02Å; L298-V338 HydrophobicContact CD1-CG1 3.89Å; V338-P340 WeakPolarHBondContact O-CD 3.37Å; V338-Y350 HydrophobicContact CB-CD2 4.16Å; V338-Y350 HydrophobicContact CB-CG 4.42Å; V338-Y350 HydrophobicContact CG1-CD2 4.39Å; V338-Y350 HydrophobicContact CG1-CG 4.14Å; V338-L354 HydrophobicContact CG1-CD1 4.13Å
339G97.8Very high98Very high1 Ų116.3 Ų16.31%0.019%0.094CC..  trans-96.5110.4171.700000110.8F305F305-G339 WeakPolarHBondContact CB-O 3.3Å
340P98.6Very high98Very high0 Ų016.5 Ų16.50%09%0.094CC..  trans-76.4155.7175.2-1229.3000112.1I59 H60 W61 W119 F305 V338 T345I59-P340 HydrophobicContact CG2-CG 3.39Å; H60-P340 VanDerWaalsContact O-CD 3.28Å; H60-P340 WeakPolarHBondContact O-CD 3.42Å; W61-P340 HydrophobicContact CB-CG 4.08Å; W61-P340 HydrophobicContact CD2-CB 4.48Å; W61-P340 HydrophobicContact CG-CB 4.12Å; W61-P340 HydrophobicContact CG-CG 3.98Å; W119-P340 HydrophobicContact CH2-CB 3.69Å; W119-P340 HydrophobicContact CH2-CG 3.44Å; W119-P340 VanDerWaalsContact CH2-CG 3.44Å; W119-P340 HydrophobicContact CZ2-CB 3.73Å; W119-P340 HydrophobicContact CZ2-CG 3.92Å; W119-P340 HydrophobicContact CZ3-CG 4.16Å; F305-P340 WeakPolarHBondContact CB-O 3.27Å; V338-P340 WeakPolarHBondContact O-CD 3.37Å; P340-T345 WeakPolarHBondContact CA-O 3.35Å
341T98.5Very high98.1Very high2 Ų219.5 Ų19.51%0.01211%0.109CC..  trans-66.4157.3173.555.10000111.9W61 F305 Y343 G344 T345W61-T341 PolarHBondContact NE1-O 3.44Å; F305-T341 HydrophobicContact CD1-CG2 4.07Å; F305-T341 HydrophobicContact CD2-CG2 3.96Å; F305-T341 HydrophobicContact CE1-CG2 3.84Å; F305-T341 HydrophobicContact CE2-CG2 3.72Å; F305-T341 HydrophobicContact CG-CG2 4.15Å; F305-T341 HydrophobicContact CZ-CG2 3.67Å; T341-Y343 HydrophobicContact CG2-CE1 4.11Å; T341-Y343 HydrophobicContact CG2-CE2 3.79Å; T341-Y343 WeakPolarHBondContact CG2-OH 2.77Å; T341-Y343 PolarHBondContact O-N 3.35Å; T341-Y343 VanDerWaalsContact O-N 3.15Å; T341-Y343 WeakPolarHBondContact OG1-CD2 3.44Å; T341-Y343 VanDerWaalsContact OG1-CE2 3.24Å; T341-Y343 WeakPolarHBondContact OG1-CE2 3.22Å; T341-G344 PolarHBondContact O-N 3.21Å; T341-G344 PolarHBondContact OG1-N 2.88Å; T341-T345 PolarHBondContact N-O 2.89Å; T341-T345 WeakPolarHBondContact OG1-CA 3.5Å; T341-T345 PolarHBondContact OG1-N 2.91Å; T341-T345 PolarHBondContact OG1-O 2.75Å; T341-T345 PolarHBondContact OG1-OG1 3.25Å
342S98.3Very high98.2Very high20 Ų2023.3 Ų23.314%0.1412%0.123CC..THydrogen-bonded Turntrans-58.8-26.2175.657.40000114.2S65 H110 A111 G344S65-S342 VanDerWaalsContact OG-CA 3.25Å; S65-S342 WeakPolarHBondContact OG-CA 3.28Å; H110-S342 PolarHBondContact N-O 2.86Å; A111-S342 PolarHBondContact N-O 3.1Å; S342-G344 VanDerWaalsContact C-N 3.33Å
343Y98.3Very high98.2Very high89 Ų8924.1 Ų24.135%0.34913%0.126SC..THydrogen-bonded Turntrans-89.37.417748.6-98.4000113.7A111 E112 F113 T341 T345A111-Y343 CarbonylContact C-O 3.5Å; E112-Y343 PolarHBondContact N-O 2.9Å; E112-Y343 WeakPolarHBondContact OE2-CA 3.41Å; E112-Y343 WeakPolarHBondContact OE2-CB 3.48Å; F113-Y343 CarbonylContact C-O 3.54Å; F113-Y343 VanDerWaalsContact CA-O 3.31Å; F113-Y343 WeakPolarHBondContact CA-O 3.32Å; F113-Y343 VanDerWaalsContact CB-O 3.27Å; F113-Y343 WeakPolarHBondContact CB-O 3.26Å; F113-Y343 AromaticContact CD2-CD2 3.71Å; F113-Y343 HydrophobicContact CD2-CD2 3.71Å; F113-Y343 HydrophobicContact CD2-CG 4.14Å; F113-Y343 HydrophobicContact CE2-CD2 4.33Å; F113-Y343 PolarHBondContact N-O 3.43Å; T341-Y343 HydrophobicContact CG2-CE1 4.11Å; T341-Y343 HydrophobicContact CG2-CE2 3.79Å; T341-Y343 WeakPolarHBondContact CG2-OH 2.77Å; T341-Y343 PolarHBondContact O-N 3.35Å; T341-Y343 VanDerWaalsContact O-N 3.15Å; T341-Y343 WeakPolarHBondContact OG1-CD2 3.44Å; T341-Y343 VanDerWaalsContact OG1-CE2 3.24Å; T341-Y343 WeakPolarHBondContact OG1-CE2 3.22Å; Y343-T345 HydrophobicContact CD2-CG2 3.92Å; Y343-T345 HydrophobicContact CE2-CG2 4.03Å; Y343-T345 WeakPolarHBondContact CE2-OG1 3.32Å
344G98.3Very high98.2Very high0 Ų024.1 Ų24.10%013%0.126CC..SBendtrans87.119.1166.400000116.2F114 W119 T341 S342F114-G344 WeakPolarHBondContact CA-O 3.48Å; W119-G344 WeakPolarHBondContact CZ2-O 3.2Å; W119-G344 PolarHBondContact NE1-O 3.4Å; T341-G344 PolarHBondContact O-N 3.21Å; T341-G344 PolarHBondContact OG1-N 2.88Å; S342-G344 VanDerWaalsContact C-N 3.33Å
345T98.2Very high98.2Very high43 Ų4327.7 Ų27.726%0.26415%0.145SC..PPolyproline II helixtrans-100.5145.4170.866.10000112F113 P340 T341 Y343F113-T345 HydrophobicContact CB-CG2 3.66Å; F113-T345 HydrophobicContact CD2-CG2 4.43Å; F113-T345 HydrophobicContact CG-CG2 4.37Å; P340-T345 WeakPolarHBondContact CA-O 3.35Å; T341-T345 PolarHBondContact N-O 2.89Å; T341-T345 WeakPolarHBondContact OG1-CA 3.5Å; T341-T345 PolarHBondContact OG1-N 2.91Å; T341-T345 PolarHBondContact OG1-O 2.75Å; T341-T345 PolarHBondContact OG1-OG1 3.25Å; Y343-T345 HydrophobicContact CD2-CG2 3.92Å; Y343-T345 HydrophobicContact CE2-CG2 4.03Å; Y343-T345 WeakPolarHBondContact CE2-OG1 3.32Å
346I98.3Very high98.1Very high3 Ų329.1 Ų29.12%0.01515%0.152CC..PPolyproline II helixtrans-84.2130.9164.2-65.9169.2000106.3W119 L122 F123 E351W119-I346 HydrophobicContact CD2-CD1 3.89Å; W119-I346 HydrophobicContact CD2-CG1 4.33Å; W119-I346 HydrophobicContact CG-CD1 3.88Å; W119-I346 HydrophobicContact CZ2-CG1 4.17Å; L122-I346 HydrophobicContact CD2-CB 4.4Å; L122-I346 HydrophobicContact CD2-CD1 3.64Å; L122-I346 HydrophobicContact CD2-CG2 4.16Å; F123-I346 HydrophobicContact CE1-CD1 3.64Å; F123-I346 HydrophobicContact CZ-CD1 3.66Å; I346-E351 HydrophobicContact CB-CG 4.14Å; I346-E351 HydrophobicContact CG2-CG 3.78Å
347S96.8Very high98.1Very high27 Ų2729.2 Ų29.219%0.18915%0.152CC..PPolyproline II helixtrans-58.3137.3-178.2-175.10000110.4I349 Y350 E351S347-I349 PolarHBondContact O-N 2.96Å; S347-I349 WeakPolarHBondContact OG-CG2 3.32Å; S347-Y350 WeakPolarHBondContact O-CA 3.44Å; S347-Y350 WeakPolarHBondContact O-CB 3.39Å; S347-Y350 PolarHBondContact O-N 3.33Å; S347-E351 PolarHBondContact O-N 3.32Å
348P97.3Very high98.1Very high97 Ų9729.5 Ų29.563%0.6316%0.155SC*.Hα-helixtrans-52.8-31-178.3-29.835.6000114.2E351 E352P348-E351 PolarHBondContact O-N 3.35Å; P348-E352 WeakPolarHBondContact O-CB 3.36Å; P348-E352 PolarHBondContact O-N 3.31Å
349I97.4Very high97.9Very high34 Ų3433.7 Ų33.717%0.17418%0.175CC..Hα-helixtrans-68.6-35.9176.1-168.657.3000112.8L311 I314 S347 E352 R353L311-I349 HydrophobicContact CD1-CD1 3.74Å; L311-I349 HydrophobicContact CD1-CG1 3.99Å; I314-I349 HydrophobicContact CD1-CB 4.27Å; I314-I349 HydrophobicContact CD1-CG1 3.73Å; I314-I349 HydrophobicContact CD1-CG2 3.53Å; I314-I349 HydrophobicContact CG2-CG1 4.31Å; S347-I349 PolarHBondContact O-N 2.96Å; S347-I349 WeakPolarHBondContact OG-CG2 3.32Å; I349-E352 WeakPolarHBondContact CD1-OE2 3.41Å; I349-E352 PolarHBondContact O-N 2.88Å; I349-R353 WeakPolarHBondContact O-CG 3.41Å; I349-R353 PolarHBondContact O-N 3.44Å; I349-R353 VanDerWaalsContact O-N 3.08Å
350Y98.2Very high97.9Very high3 Ų334.1 Ų34.11%0.01218%0.176CC..Hα-helixtrans-71.4-39.9172.8-60.7-29.3000110.6L298 I314 V338 S347 E352 R353 L354L298-Y350 HydrophobicContact CB-CD1 4.09Å; L298-Y350 HydrophobicContact CB-CE1 4.14Å; L298-Y350 HydrophobicContact CD1-CD1 3.87Å; L298-Y350 HydrophobicContact CD1-CG 4.35Å; I314-Y350 HydrophobicContact CD1-CE1 4.15Å; I314-Y350 HydrophobicContact CG1-CE1 4.37Å; I314-Y350 HydrophobicContact CG2-CE1 4.36Å; V338-Y350 HydrophobicContact CB-CD2 4.16Å; V338-Y350 HydrophobicContact CB-CG 4.42Å; V338-Y350 HydrophobicContact CG1-CD2 4.39Å; V338-Y350 HydrophobicContact CG1-CG 4.14Å; S347-Y350 WeakPolarHBondContact O-CA 3.44Å; S347-Y350 WeakPolarHBondContact O-CB 3.39Å; S347-Y350 PolarHBondContact O-N 3.33Å; Y350-E352 VanDerWaalsContact C-N 3.3Å; Y350-E352 PolarHBondContact O-N 2.87Å; Y350-R353 PolarHBondContact O-N 3.45Å; Y350-L354 WeakPolarHBondContact O-CB 3.28Å; Y350-L354 VanDerWaalsContact O-CG 3.27Å; Y350-L354 WeakPolarHBondContact O-CG 3.36Å; Y350-L354 PolarHBondContact O-N 2.62Å
351E98.1Very high97.8Very high79 Ų7934.6 Ų34.637%0.36918%0.179SC..Hα-helixtrans-57.2-45.8172.3-57.4-167.2169.700111L122 I346 S347 P348 R353 L354 L355L122-E351 HydrophobicContact CD1-CB 4.24Å; L122-E351 HydrophobicContact CD2-CB 4.34Å; L122-E351 HydrophobicContact CD2-CG 3.84Å; I346-E351 HydrophobicContact CB-CG 4.14Å; I346-E351 HydrophobicContact CG2-CG 3.78Å; S347-E351 PolarHBondContact O-N 3.32Å; P348-E351 PolarHBondContact O-N 3.35Å; E351-R353 PolarHBondContact O-N 3.46Å; E351-L354 PolarHBondContact O-N 2.93Å; E351-L355 WeakPolarHBondContact O-CB 3.37Å; E351-L355 WeakPolarHBondContact O-CG 3.36Å; E351-L355 PolarHBondContact O-N 3.45Å
352E98.1Very high97.7Very high90 Ų9038.9 Ų38.942%0.42121%0.209SC..Hα-helixtrans-58.4-49.7177.5-172.6-175.7-13000111.7P348 I349 Y350 L354 L355 Q356P348-E352 WeakPolarHBondContact O-CB 3.36Å; P348-E352 PolarHBondContact O-N 3.31Å; I349-E352 WeakPolarHBondContact CD1-OE2 3.41Å; I349-E352 PolarHBondContact O-N 2.88Å; Y350-E352 VanDerWaalsContact C-N 3.3Å; Y350-E352 PolarHBondContact O-N 2.87Å; E352-L354 PolarHBondContact O-N 2.99Å; E352-L355 PolarHBondContact O-N 3.01Å; E352-Q356 HydrophobicContact CG-CG 4.41Å; E352-Q356 WeakPolarHBondContact O-CB 3.41Å; E352-Q356 VanDerWaalsContact O-CG 3.25Å; E352-Q356 WeakPolarHBondContact O-CG 3.11Å; E352-Q356 PolarHBondContact O-N 3.41Å; E352-Q356 PolarHBondContact O-OE1 2.88Å
353R98Very high97.6Very high17 Ų1738.9 Ų38.96%0.06421%0.207CC..Hα-helixtrans-60.8-43.2178.4-68.1-63172.6-80.4-8.1112.6L298 I314 L315 L320 I349 Y350 E351 Q356 L357L298-R353 HydrophobicContact CD1-CB 3.8Å; L298-R353 HydrophobicContact CD1-CG 4.35Å; L298-R353 HydrophobicContact CD2-CB 4.4Å; I314-R353 HydrophobicContact CG2-CG 4.4Å; L315-R353 VanDerWaalsContact O-CD 3.24Å; L315-R353 WeakPolarHBondContact O-CD 3.27Å; L315-R353 PolarHBondContact O-NE 3.14Å; L320-R353 HydrophobicContact CD2-CB 4.26Å; I349-R353 WeakPolarHBondContact O-CG 3.41Å; I349-R353 PolarHBondContact O-N 3.44Å; I349-R353 VanDerWaalsContact O-N 3.08Å; Y350-R353 PolarHBondContact O-N 3.45Å; E351-R353 PolarHBondContact O-N 3.46Å; R353-Q356 PolarHBondContact O-N 2.97Å; R353-L357 WeakPolarHBondContact O-CB 3.03Å; R353-L357 PolarHBondContact O-N 3.1Å
354L98.7Very high97.5Very high0 Ų034.8 Ų34.80%019%0.192CC..Hα-helixtrans-64.3-42.6177.4-70.1-178000111.4I57 L122 F123 S126 V338 Y350 E351 E352 L357 G358I57-L354 HydrophobicContact CD1-CD2 3.54Å; L122-L354 HydrophobicContact CD1-CB 4.36Å; L122-L354 HydrophobicContact CD2-CD1 4.08Å; L122-L354 HydrophobicContact CG-CD1 4.2Å; F123-L354 HydrophobicContact CD1-CD1 4.22Å; F123-L354 HydrophobicContact CE1-CD1 4.25Å; S126-L354 VanDerWaalsContact CA-O 3.26Å; S126-L354 WeakPolarHBondContact CA-O 3.41Å; S126-L354 WeakPolarHBondContact CB-O 3.24Å; V338-L354 HydrophobicContact CG1-CD1 4.13Å; Y350-L354 WeakPolarHBondContact O-CB 3.28Å; Y350-L354 VanDerWaalsContact O-CG 3.27Å; Y350-L354 WeakPolarHBondContact O-CG 3.36Å; Y350-L354 PolarHBondContact O-N 2.62Å; E351-L354 PolarHBondContact O-N 2.93Å; E352-L354 PolarHBondContact O-N 2.99Å; L354-L357 PolarHBondContact O-N 3.14Å; L354-G358 PolarHBondContact O-N 3.11Å
355L98.4Very high97.4Very high76 Ų7635 Ų3540%0.39819%0.194SC..Hα-helixtrans-67.4-38.7177.7-69.5172.6000112.4L122 K125 E351 E352 G358 E359L122-L355 HydrophobicContact CD1-CD2 4.01Å; L122-L355 HydrophobicContact CD1-CG 3.97Å; K125-L355 HydrophobicContact CB-CD2 3.78Å; K125-L355 HydrophobicContact CD-CD2 4.07Å; E351-L355 WeakPolarHBondContact O-CB 3.37Å; E351-L355 WeakPolarHBondContact O-CG 3.36Å; E351-L355 PolarHBondContact O-N 3.45Å; E352-L355 PolarHBondContact O-N 3.01Å; L355-G358 PolarHBondContact O-N 3.27Å; L355-E359 PolarHBondContact O-N 2.79Å
356Q97.7Very high97.3Very high30 Ų3036.1 Ų36.114%0.1420%0.196CC..Hα-helixtrans-65.6-41.1175.8-73.6166.1-34.900111.8P317 E352 R353 G358 E359 W360P317-Q356 HydrophobicContact CB-CB 4.39Å; E352-Q356 HydrophobicContact CG-CG 4.41Å; E352-Q356 WeakPolarHBondContact O-CB 3.41Å; E352-Q356 VanDerWaalsContact O-CG 3.25Å; E352-Q356 WeakPolarHBondContact O-CG 3.11Å; E352-Q356 PolarHBondContact O-N 3.41Å; E352-Q356 PolarHBondContact O-OE1 2.88Å; R353-Q356 PolarHBondContact O-N 2.97Å; Q356-G358 VanDerWaalsContact C-N 3.32Å; Q356-G358 PolarHBondContact O-N 2.84Å; Q356-E359 PolarHBondContact O-N 2.76Å; Q356-W360 PolarHBondContact O-N 2.84Å
357L98.4Very high97.1Very high1 Ų136 Ų361%0.00520%0.195CC..Hα-helixtrans-60-44.5171.3176.461.4000110.9I55 L320 I321 V324 I336 R353 L354 W360 L361I55-L357 HydrophobicContact CG2-CD2 4.49Å; L320-L357 HydrophobicContact CD2-CB 4.05Å; L320-L357 HydrophobicContact CD2-CD2 4.23Å; I321-L357 HydrophobicContact CG1-CD1 4.23Å; V324-L357 HydrophobicContact CG2-CD1 4.03Å; I336-L357 HydrophobicContact CD1-CD2 3.55Å; R353-L357 WeakPolarHBondContact O-CB 3.03Å; R353-L357 PolarHBondContact O-N 3.1Å; L354-L357 PolarHBondContact O-N 3.14Å; L357-W360 HydrophobicContact CD1-CE3 4.09Å; L357-W360 HydrophobicContact CD1-CZ3 4.47Å; L357-W360 PolarHBondContact O-N 3.21Å; L357-L361 HydrophobicContact CD1-CD1 3.86Å; L357-L361 HydrophobicContact CD1-CG 4.22Å; L357-L361 HydrophobicContact CD2-CD1 4.41Å; L357-L361 HydrophobicContact CG-CD1 3.7Å; L357-L361 HydrophobicContact CG-CG 4.48Å; L357-L361 WeakPolarHBondContact O-CB 3.42Å; L357-L361 WeakPolarHBondContact O-CD1 3.22Å; L357-L361 VanDerWaalsContact O-CG 3.31Å; L357-L361 WeakPolarHBondContact O-CG 3.25Å; L357-L361 PolarHBondContact O-N 3Å
358G97.8Very high97.2Very high7 Ų734.7 Ų34.77%0.07219%0.186CC..Hα-helixtrans-61.2-43.9176.600000114.2K125 S126 L354 L355 Q356 W360 L361 S362K125-G358 WeakPolarHBondContact O-CA 3.4Å; S126-G358 WeakPolarHBondContact O-CA 3.2Å; S126-G358 PolarHBondContact O-N 3.08Å; L354-G358 PolarHBondContact O-N 3.11Å; L355-G358 PolarHBondContact O-N 3.27Å; Q356-G358 VanDerWaalsContact C-N 3.32Å; Q356-G358 PolarHBondContact O-N 2.84Å; G358-W360 VanDerWaalsContact C-N 3.34Å; G358-W360 PolarHBondContact O-N 2.81Å; G358-L361 PolarHBondContact O-N 3.36Å; G358-S362 PolarHBondContact O-N 2.71Å
359E95.7Very high97.2Very high88 Ų8831.3 Ų31.341%0.41116%0.161SC..Hα-helixtrans-60.1-45.6175.2-177.7173.9-162.100110.5L355 Q356 S362L355-E359 PolarHBondContact O-N 2.79Å; Q356-E359 PolarHBondContact O-N 2.76Å; E359-S362 WeakPolarHBondContact O-CB 3.36Å; E359-S362 PolarHBondContact O-N 3.09Å; E359-S362 PolarHBondContact O-OG 2.98Å
360W96.6Very high97.1Very high10 Ų1031 Ų314%0.03816%0.163CC..Hα-helixtrans-63.3-43.3176.6175.281.9000112.2I321 V324 I325 Q356 L357 G358 S362 I363 N364 I368 A518I321-W360 HydrophobicContact CD1-CB 3.76Å; I321-W360 HydrophobicContact CD1-CD2 4.17Å; I321-W360 HydrophobicContact CD1-CG 3.71Å; I321-W360 HydrophobicContact CG1-CB 4.43Å; I321-W360 HydrophobicContact CG1-CD2 4.12Å; I321-W360 HydrophobicContact CG1-CE3 4.2Å; I321-W360 HydrophobicContact CG1-CG 4.19Å; I321-W360 HydrophobicContact CG2-CD2 3.79Å; I321-W360 HydrophobicContact CG2-CE3 4.12Å; I321-W360 HydrophobicContact CG2-CG 4.29Å; I321-W360 HydrophobicContact CG2-CH2 4.15Å; I321-W360 HydrophobicContact CG2-CZ2 3.81Å; I321-W360 HydrophobicContact CG2-CZ3 4.29Å; V324-W360 HydrophobicContact CG1-CZ3 4.16Å; I325-W360 HydrophobicContact CD1-CH2 4.25Å; I325-W360 HydrophobicContact CD1-CZ2 3.88Å; I325-W360 HydrophobicContact CG1-CH2 3.89Å; I325-W360 HydrophobicContact CG1-CZ2 4.01Å; Q356-W360 PolarHBondContact O-N 2.84Å; L357-W360 HydrophobicContact CD1-CE3 4.09Å; L357-W360 HydrophobicContact CD1-CZ3 4.47Å; L357-W360 PolarHBondContact O-N 3.21Å; G358-W360 VanDerWaalsContact C-N 3.34Å; G358-W360 PolarHBondContact O-N 2.81Å; W360-S362 VanDerWaalsContact C-N 3.29Å; W360-S362 PolarHBondContact O-N 2.6Å; W360-I363 PolarHBondContact O-N 2.98Å; W360-N364 HydrophobicContact CD2-CB 4.11Å; W360-N364 HydrophobicContact CH2-CB 4.33Å; W360-N364 HydrophobicContact CZ2-CB 3.67Å; W360-N364 PolarHBondContact NE1-ND2 3.29Å; W360-N364 WeakPolarHBondContact O-CB 3.31Å; W360-N364 PolarHBondContact O-N 3.3Å; W360-N364 PolarHBondContact O-ND2 3.41Å; W360-I368 HydrophobicContact CH2-CD1 3.8Å; W360-I368 HydrophobicContact CH2-CG1 3.66Å; W360-I368 HydrophobicContact CZ3-CG1 4.12Å; W360-A518 PolarHBondContact NE1-O 3.06Å
361L97.6Very high97Very high11 Ų1130.8 Ų30.86%0.05816%0.163CC..Hα-helixtrans-67.7-26.2177.5-74.7162.3000113.2I55 S126 L357 G358 I363 G365 I368 Y369I55-L361 HydrophobicContact CD1-CD1 3.65Å; I55-L361 HydrophobicContact CD1-CD2 3.66Å; I55-L361 HydrophobicContact CD1-CG 4.26Å; S126-L361 VanDerWaalsContact O-CD1 3.32Å; S126-L361 WeakPolarHBondContact O-CD1 3.38Å; L357-L361 HydrophobicContact CD1-CD1 3.86Å; L357-L361 HydrophobicContact CD1-CG 4.22Å; L357-L361 HydrophobicContact CD2-CD1 4.41Å; L357-L361 HydrophobicContact CG-CD1 3.7Å; L357-L361 HydrophobicContact CG-CG 4.48Å; L357-L361 WeakPolarHBondContact O-CB 3.42Å; L357-L361 WeakPolarHBondContact O-CD1 3.22Å; L357-L361 VanDerWaalsContact O-CG 3.31Å; L357-L361 WeakPolarHBondContact O-CG 3.25Å; L357-L361 PolarHBondContact O-N 3Å; G358-L361 PolarHBondContact O-N 3.36Å; L361-I363 PolarHBondContact O-N 3.5Å; L361-G365 WeakPolarHBondContact O-CA 3.26Å; L361-G365 PolarHBondContact O-N 3.27Å; L361-I368 HydrophobicContact CD2-CB 4.4Å; L361-I368 HydrophobicContact CD2-CG1 4.39Å; L361-I368 HydrophobicContact CD2-CG2 4.35Å; L361-Y369 WeakPolarHBondContact CD1-OH 3.32Å; L361-Y369 HydrophobicContact CD2-CE2 3.99Å
362S95.2Very high96.8Very high92 Ų9229.8 Ų29.864%0.64316%0.158SC*.Hα-helixtrans-62.6-26.5175.478.30000112.2G358 E359 W360G358-S362 PolarHBondContact O-N 2.71Å; E359-S362 WeakPolarHBondContact O-CB 3.36Å; E359-S362 PolarHBondContact O-N 3.09Å; E359-S362 PolarHBondContact O-OG 2.98Å; W360-S362 VanDerWaalsContact C-N 3.29Å; W360-S362 PolarHBondContact O-N 2.6Å
363I95.7Very high96.7Very high19 Ų1926.6 Ų26.610%0.09715%0.145CC..Hα-helixtrans-101-46.4-179.8-62.2175.4000111.2W360 L361 L477 N509 L515W360-I363 PolarHBondContact O-N 2.98Å; L361-I363 PolarHBondContact O-N 3.5Å; I363-L477 HydrophobicContact CG2-CB 4.15Å; I363-L477 WeakPolarHBondContact CG2-O 3.34Å; I363-N509 HydrophobicContact CD1-CB 3.86Å; I363-L515 HydrophobicContact CD1-CD2 3.45Å; I363-L515 VanDerWaalsContact CD1-CD2 3.45Å; I363-L515 HydrophobicContact CG2-CD2 4.49Å
364N96.5Very high96.5Very high4 Ų426.5 Ų26.52%0.02114%0.144CC..Hα-helixtrans-100.1-7.7-168.8-63.3-82.2000113.6W360 E366 G367 T520W360-N364 HydrophobicContact CD2-CB 4.11Å; W360-N364 HydrophobicContact CH2-CB 4.33Å; W360-N364 HydrophobicContact CZ2-CB 3.67Å; W360-N364 PolarHBondContact NE1-ND2 3.29Å; W360-N364 WeakPolarHBondContact O-CB 3.31Å; W360-N364 PolarHBondContact O-N 3.3Å; W360-N364 PolarHBondContact O-ND2 3.41Å; N364-E366 PolarHBondContact O-N 3.21Å; N364-E366 VanDerWaalsContact O-N 3.08Å; N364-G367 PolarHBondContact O-N 2.91Å; N364-G367 VanDerWaalsContact O-N 3.11Å; N364-T520 WeakPolarHBondContact CB-OG1 3.45Å; N364-T520 WeakPolarHBondContact OD1-CB 3.31Å; N364-T520 PolarHBondContact OD1-N 2.97Å; N364-T520 PolarHBondContact OD1-OG1 3.08Å
365G96.9Very high96Very high5 Ų533.3 Ų33.35%0.05217%0.17CC..G310 helixtrans-62.3-20.1-173.500000114.4L361 G367 I368 Y369L361-G365 WeakPolarHBondContact O-CA 3.26Å; L361-G365 PolarHBondContact O-N 3.27Å; G365-G367 PolarHBondContact O-N 3.1Å; G365-I368 PolarHBondContact O-N 3.35Å; G365-I368 VanDerWaalsContact O-N 3.1Å; G365-Y369 VanDerWaalsContact O-CD2 3.26Å; G365-Y369 WeakPolarHBondContact O-CD2 3.36Å; G365-Y369 PolarHBondContact O-N 2.93Å
366E95Very high95.6Very high66 Ų6632 Ų3231%0.30816%0.163SC..G310 helixtrans-55.5-41.7173.5-164.5-161.8133.100111.9N364 I368 K390 Y424 L477 R522N364-E366 PolarHBondContact O-N 3.21Å; N364-E366 VanDerWaalsContact O-N 3.08Å; E366-I368 VanDerWaalsContact C-N 3.34Å; E366-K390 PolarHBondContact O-NZ 2.85Å; E366-Y424 HydrophobicContact CB-CE1 4.34Å; E366-Y424 HydrophobicContact CG-CE1 4.07Å; E366-Y424 WeakPolarHBondContact CG-OH 3.21Å; E366-Y424 WeakPolarHBondContact OE1-CE1 3.47Å; E366-Y424 PolarHBondContact OE1-OH 2.79Å; E366-L477 HydrophobicContact CB-CD1 4.16Å; E366-R522 WeakPolarHBondContact OE1-CD 3.3Å; E366-R522 IonicContact OE1-NH1 3.46Å; E366-R522 IonicContact OE2-CZ 2.73Å; E366-R522 IonicContact OE2-NH1 2.81Å; E366-R522 PolarHBondContact OE2-NH1 2.74Å
367G96.1Very high95.4Very high0 Ų032.4 Ų32.40%017%0.165CC..G310 helixtrans-87.53.5179.200000114.5N364 G365 T371 T388 Y424 H426N364-G367 PolarHBondContact O-N 2.91Å; N364-G367 VanDerWaalsContact O-N 3.11Å; G365-G367 PolarHBondContact O-N 3.1Å; G367-T371 VanDerWaalsContact O-CG2 3.29Å; G367-T371 WeakPolarHBondContact O-CG2 3.26Å; G367-T388 PolarHBondContact O-OG1 3.47Å; G367-Y424 VanDerWaalsContact CA-CG 3.41Å; G367-H426 PolarHBondContact O-CE1 2.83Å; G367-H426 PolarHBondContact O-NE2 3.27Å; G367-H426 VanDerWaalsContact O-NE2 3.14Å
368I98Very high95.3Very high0 Ų036.8 Ų36.80%018%0.184CC..THydrogen-bonded Turntrans-110.2-59.5177-60.9-60.5000109.7K54 I55 V328 W360 L361 G365 E366 T371K54-I368 HydrophobicContact CB-CG2 4.2Å; K54-I368 HydrophobicContact CG-CG2 4.42Å; K54-I368 WeakPolarHBondContact CG-O 3.49Å; I55-I368 HydrophobicContact CD1-CG2 4.19Å; V328-I368 HydrophobicContact CG1-CG2 4.46Å; V328-I368 HydrophobicContact CG2-CG2 4.11Å; W360-I368 HydrophobicContact CH2-CD1 3.8Å; W360-I368 HydrophobicContact CH2-CG1 3.66Å; W360-I368 HydrophobicContact CZ3-CG1 4.12Å; L361-I368 HydrophobicContact CD2-CB 4.4Å; L361-I368 HydrophobicContact CD2-CG1 4.39Å; L361-I368 HydrophobicContact CD2-CG2 4.35Å; G365-I368 PolarHBondContact O-N 3.35Å; G365-I368 VanDerWaalsContact O-N 3.1Å; E366-I368 VanDerWaalsContact C-N 3.34Å; I368-T371 PolarHBondContact O-N 2.99Å; I368-T371 PolarHBondContact O-OG1 3.23Å
369Y97.8Very high95.1Very high26 Ų2636.5 Ų36.510%0.10218%0.181CC..THydrogen-bonded Turntrans-70.3137.1-175.1-62.2-62.7000112.8A53 K54 I55 G127 R129 L361 G365 T371 K390A53-Y369 VanDerWaalsContact O-CD1 3.23Å; A53-Y369 WeakPolarHBondContact O-CD1 3.31Å; A53-Y369 WeakPolarHBondContact O-CE1 3.43Å; K54-Y369 HydrophobicContact CB-CD1 4.4Å; I55-Y369 HydrophobicContact CD1-CE1 4.38Å; I55-Y369 HydrophobicContact CG1-CE1 4.4Å; G127-Y369 VanDerWaalsContact C-OH 3.32Å; G127-Y369 PolarHBondContact O-OH 2.92Å; R129-Y369 HydrophobicContact CG-CD1 4.07Å; R129-Y369 HydrophobicContact CG-CE1 3.68Å; L361-Y369 WeakPolarHBondContact CD1-OH 3.32Å; L361-Y369 HydrophobicContact CD2-CE2 3.99Å; G365-Y369 VanDerWaalsContact O-CD2 3.26Å; G365-Y369 WeakPolarHBondContact O-CD2 3.36Å; G365-Y369 PolarHBondContact O-N 2.93Å; Y369-T371 PolarHBondContact O-N 3.21Å; Y369-K390 WeakPolarHBondContact O-CE 3.49Å; Y369-K390 PolarHBondContact O-NZ 3.43Å
370A95.5Very high94.8Very high26 Ų2637.1 Ų37.122%0.21519%0.192CC..THydrogen-bonded Turntrans53.229.9-17800000113.8E52E52-A370 HydrophobicContact CB-CB 3.99Å; E52-A370 HydrophobicContact CG-CB 3.75Å; E52-A370 PolarHBondContact O-N 3.37Å; E52-A370 VanDerWaalsContact O-N 3.08Å
371T95.6Very high94.3Very high0 Ų041.4 Ų41.40%022%0.216CC..  trans-98.5166.517167.60000111.4K54 G367 I368 Y369 Y389 K390 Y424K54-T371 WeakPolarHBondContact CE-O 3.24Å; K54-T371 PolarHBondContact NZ-O 2.79Å; G367-T371 VanDerWaalsContact O-CG2 3.29Å; G367-T371 WeakPolarHBondContact O-CG2 3.26Å; I368-T371 PolarHBondContact O-N 2.99Å; I368-T371 PolarHBondContact O-OG1 3.23Å; Y369-T371 PolarHBondContact O-N 3.21Å; T371-Y389 CarbonylContact C-O 3.56Å; T371-Y389 WeakPolarHBondContact CA-O 3.33Å; T371-Y389 WeakPolarHBondContact CB-O 3.48Å; T371-K390 HydrophobicContact CG2-CB 4.37Å; T371-Y424 HydrophobicContact CG2-CD2 4.35Å; T371-Y424 HydrophobicContact CG2-CE2 4.31Å
372Q94.2Very high94.1Very high58 Ų5843.2 Ų43.227%0.27122%0.222SC..EExtended strand (participates in β ladder)trans-126.7156.6177.7-63.5-58.8-30.700109.7D51 W374 T388 Y389D51-Q372 PolarHBondContact OD2-NE2 2.76Å; Q372-W374 PolarHBondContact O-N 3.03Å; Q372-T388 CarbonylContact O-C 3.55Å; Q372-T388 WeakPolarHBondContact O-CA 3.38Å; Q372-Y389 HydrophobicContact CB-CD1 3.82Å; Q372-Y389 HydrophobicContact CB-CE1 3.36Å; Q372-Y389 HydrophobicContact CG-CE1 4.35Å; Q372-Y389 PolarHBondContact N-O 3.49Å; Q372-Y389 WeakPolarHBondContact O-CD1 3.41Å; Q372-Y389 PolarHBondContact O-N 3.31Å
373P94.5Very high93.9Very high22 Ų2244.6 Ų44.614%0.14322%0.223CC..EExtended strand (participates in β ladder)trans-54.1123.4169.1-29.840.1000110.9L287 T329 Y389L287-P373 HydrophobicContact CD1-CB 3.57Å; L287-P373 HydrophobicContact CD1-CG 3.55Å; T329-P373 VanDerWaalsContact O-CB 3.28Å; T329-P373 WeakPolarHBondContact O-CB 3.49Å; P373-Y389 WeakPolarHBondContact O-CD1 3.39Å; P373-Y389 WeakPolarHBondContact O-CE1 3.25Å
374W93.7Very high93.9Very high15 Ų1544.8 Ų44.86%0.05722%0.223CC..EExtended strand (participates in β ladder)trans-71.7164.4170.8-167.755.8000110.1Q372 I376 Q377 Y387 Y389 V423 S464 I465 F527Q372-W374 PolarHBondContact O-N 3.03Å; W374-I376 HydrophobicContact CE3-CB 3.9Å; W374-I376 VanDerWaalsContact CE3-O 3.29Å; W374-I376 HydrophobicContact CZ3-CB 3.85Å; W374-I376 HydrophobicContact CZ3-CD1 4.31Å; W374-I376 PolarHBondContact O-N 3.39Å; W374-I376 VanDerWaalsContact O-N 3.07Å; W374-Q377 PolarHBondContact O-NE2 3.17Å; W374-Y387 HydrophobicContact CE3-CD1 4.25Å; W374-Y387 AromaticContact CE3-CD2 3.72Å; W374-Y387 HydrophobicContact CE3-CD2 3.72Å; W374-Y387 HydrophobicContact CE3-CE2 4.42Å; W374-Y387 AromaticContact CE3-CG 3.61Å; W374-Y387 HydrophobicContact CE3-CG 3.61Å; W374-Y387 HydrophobicContact CZ3-CD1 4.45Å; W374-Y387 AromaticContact CZ3-CD2 3.85Å; W374-Y387 HydrophobicContact CZ3-CD2 3.85Å; W374-Y387 HydrophobicContact CZ3-CE2 4.1Å; W374-Y387 HydrophobicContact CZ3-CG 4.04Å; W374-Y389 HydrophobicContact CB-CD1 4.29Å; W374-V423 HydrophobicContact CD2-CG1 3.92Å; W374-V423 HydrophobicContact CE3-CG1 4.34Å; W374-V423 HydrophobicContact CG-CG1 4.09Å; W374-S464 WeakPolarHBondContact CH2-O 3.48Å; W374-I465 HydrophobicContact CH2-CD1 3.52Å; W374-I465 HydrophobicContact CZ2-CD1 4.12Å; W374-I465 HydrophobicContact CZ3-CD1 3.92Å; W374-F527 WeakPolarHBondContact CZ2-OXT 3.42Å
375R89.7Confident93.9Very high143 Ų14344.6 Ų44.654%0.5422%0.222SC..EExtended strand (participates in β ladder)trans-57.8-27.3-175.960.7163.9-173.9-112.6-4.6113.7F527R375-F527 PolarHBondContact NH1-OXT 2.97Å; R375-F527 PolarHBondContact NH2-O 2.82Å; R375-F527 PolarHBondContact NH2-OXT 3.17Å
376I90.3Very high94Very high50 Ų5044.8 Ų44.826%0.25622%0.221SC..EExtended strand (participates in β ladder)trans-118.6120.7173-67.1165.3000105.3W374 K378 Y387W374-I376 HydrophobicContact CE3-CB 3.9Å; W374-I376 VanDerWaalsContact CE3-O 3.29Å; W374-I376 HydrophobicContact CZ3-CB 3.85Å; W374-I376 HydrophobicContact CZ3-CD1 4.31Å; W374-I376 PolarHBondContact O-N 3.39Å; W374-I376 VanDerWaalsContact O-N 3.07Å; I376-K378 WeakPolarHBondContact CG2-O 3.45Å; I376-Y387 HydrophobicContact CG2-CD2 4.33Å; I376-Y387 HydrophobicContact CG2-CE2 4.5Å; I376-Y387 WeakPolarHBondContact O-CB 3.41Å; I376-Y387 WeakPolarHBondContact O-CD2 3.41Å
377Q93.6Very high94Very high38 Ų3841.7 Ų41.718%0.17821%0.206CC..EExtended strand (participates in β ladder)trans-82.2-33.1-176.5-67.675.14900112.5T329 F330 W374 W386 Y387T329-Q377 WeakPolarHBondContact O-CG 3.41Å; F330-Q377 HydrophobicContact CD1-CB 4.15Å; F330-Q377 HydrophobicContact CD1-CG 3.93Å; F330-Q377 HydrophobicContact CE1-CB 3.89Å; F330-Q377 HydrophobicContact CE1-CG 4.1Å; W374-Q377 PolarHBondContact O-NE2 3.17Å; Q377-W386 CarbonylContact O-C 3.54Å; Q377-W386 VanDerWaalsContact O-CA 3.3Å; Q377-W386 WeakPolarHBondContact O-CA 3.17Å; Q377-Y387 PolarHBondContact O-N 2.92Å
378K94.7Very high94.1Very high92 Ų9241.7 Ų41.740%0.421%0.206SC..EExtended strand (participates in β ladder)trans-134.5138.8-178.8-172.4171.370.4-179.50110.6I376 V385 W386I376-K378 WeakPolarHBondContact CG2-O 3.45Å; K378-V385 WeakPolarHBondContact CA-O 3.2Å; K378-V385 WeakPolarHBondContact CG-O 3.36Å; K378-W386 HydrophobicContact CB-CD2 4.29Å; K378-W386 HydrophobicContact CB-CE3 3.82Å; K378-W386 HydrophobicContact CB-CZ3 4Å; K378-W386 HydrophobicContact CD-CD2 4.22Å; K378-W386 HydrophobicContact CD-CE3 4.21Å; K378-W386 HydrophobicContact CD-CH2 3.68Å; K378-W386 HydrophobicContact CD-CZ2 3.64Å; K378-W386 HydrophobicContact CD-CZ3 3.95Å; K378-W386 HydrophobicContact CG-CD2 4.16Å; K378-W386 HydrophobicContact CG-CE3 4.15Å; K378-W386 HydrophobicContact CG-CH2 4.5Å; K378-W386 HydrophobicContact CG-CZ2 4.46Å; K378-W386 HydrophobicContact CG-CZ3 4.33Å
379E94.2Very high93.9Very high2 Ų245 Ų451%0.00922%0.219CC..  trans-63.3130.5177.3-17854.6-155.600110.8N381 Y382 V385 Y387 L462 A463 S464E379-N381 PolarHBondContact O-N 3.1Å; E379-Y382 HydrophobicContact CG-CD2 3.88Å; E379-Y382 PolarHBondContact O-N 3.4Å; E379-V385 HydrophobicContact CB-CB 3.79Å; E379-V385 HydrophobicContact CB-CG1 4.04Å; E379-V385 PolarHBondContact N-O 3.36Å; E379-Y387 HydrophobicContact CB-CE2 3.91Å; E379-Y387 PolarHBondContact OE2-OH 2.77Å; E379-L462 HydrophobicContact CG-CD2 4.18Å; E379-A463 PolarHBondContact OE1-N 2.87Å; E379-S464 PolarHBondContact OE1-N 3.5Å; E379-S464 WeakPolarHBondContact OE2-CB 3.3Å; E379-S464 PolarHBondContact OE2-N 3.29Å; E379-S464 PolarHBondContact OE2-OG 2.87Å
380P88.9Confident93.6Very high100 Ų10046.3 Ų46.365%0.64923%0.226SC*.THydrogen-bonded Turntrans-59.9-31.8-177.5-28.336000114.7S464P380-S464 WeakPolarHBondContact CD-OG 3.34Å
381N87.7Confident92.9Very high101 Ų10147.7 Ų47.754%0.5423%0.233SC..THydrogen-bonded Turntrans-89.5-9.2-175.6-63.1-34.9000113.7E379E379-N381 PolarHBondContact O-N 3.1Å
382Y91.9Very high91.6Very high48 Ų4851 Ų5119%0.18825%0.253CS..  trans-138.2129.1-174.9-60.7-56.6000111.3E379 F384 V385 L460 N461 L462E379-Y382 HydrophobicContact CG-CD2 3.88Å; E379-Y382 PolarHBondContact O-N 3.4Å; Y382-F384 HydrophobicContact CD1-CD1 4.47Å; Y382-F384 AromaticContact CD1-CE1 3.45Å; Y382-F384 HydrophobicContact CD1-CE1 3.45Å; Y382-F384 VanDerWaalsContact CD1-CE1 3.45Å; Y382-F384 HydrophobicContact CD1-CE2 4.36Å; Y382-F384 AromaticContact CD1-CZ 3.37Å; Y382-F384 HydrophobicContact CD1-CZ 3.37Å; Y382-F384 HydrophobicContact CD2-CZ 4.35Å; Y382-F384 HydrophobicContact CE1-CE1 4.24Å; Y382-F384 AromaticContact CE1-CZ 3.89Å; Y382-F384 HydrophobicContact CE1-CZ 3.89Å; Y382-F384 AromaticContact CG-CE1 3.89Å; Y382-F384 HydrophobicContact CG-CE1 3.89Å; Y382-F384 HydrophobicContact CG-CE2 4.22Å; Y382-F384 AromaticContact CG-CZ 3.64Å; Y382-F384 HydrophobicContact CG-CZ 3.64Å; Y382-F384 PolarHBondContact O-N 3.17Å; Y382-V385 HydrophobicContact CD2-CG2 3.86Å; Y382-V385 HydrophobicContact CG-CG2 4.07Å; Y382-L460 HydrophobicContact CD2-CD1 3.96Å; Y382-L460 HydrophobicContact CE2-CD1 3.58Å; Y382-L460 HydrophobicContact CE2-CG 4.29Å; Y382-N461 WeakPolarHBondContact CE2-O 3.16Å; Y382-N461 PolarHBondContact OH-N 2.89Å; Y382-L462 HydrophobicContact CD2-CD2 4.4Å; Y382-L462 HydrophobicContact CE2-CD2 4.43Å
383D92.5Very high89.8Confident122 Ų12254.7 Ų54.765%0.65227%0.268SS*.THydrogen-bonded Turntrans-77.1-9.4173.160.5-12.8000113.4
384F94.7Very high87.4Confident23 Ų2359 Ų5910%0.10129%0.29CS..THydrogen-bonded Turntrans-109.44.1-176.162.2-97.3000114.6Y382 L427 T428 K429 P431 L460Y382-F384 HydrophobicContact CD1-CD1 4.47Å; Y382-F384 AromaticContact CD1-CE1 3.45Å; Y382-F384 HydrophobicContact CD1-CE1 3.45Å; Y382-F384 VanDerWaalsContact CD1-CE1 3.45Å; Y382-F384 HydrophobicContact CD1-CE2 4.36Å; Y382-F384 AromaticContact CD1-CZ 3.37Å; Y382-F384 HydrophobicContact CD1-CZ 3.37Å; Y382-F384 HydrophobicContact CD2-CZ 4.35Å; Y382-F384 HydrophobicContact CE1-CE1 4.24Å; Y382-F384 AromaticContact CE1-CZ 3.89Å; Y382-F384 HydrophobicContact CE1-CZ 3.89Å; Y382-F384 AromaticContact CG-CE1 3.89Å; Y382-F384 HydrophobicContact CG-CE1 3.89Å; Y382-F384 HydrophobicContact CG-CE2 4.22Å; Y382-F384 AromaticContact CG-CZ 3.64Å; Y382-F384 HydrophobicContact CG-CZ 3.64Å; Y382-F384 PolarHBondContact O-N 3.17Å; F384-L427 CarbonylContact O-C 3.51Å; F384-L427 VanDerWaalsContact O-CA 3.26Å; F384-L427 WeakPolarHBondContact O-CA 3.44Å; F384-T428 WeakPolarHBondContact CA-OG1 3.33Å; F384-T428 WeakPolarHBondContact CB-OG1 3.48Å; F384-T428 PolarHBondContact O-N 2.82Å; F384-T428 PolarHBondContact O-OG1 2.74Å; F384-K429 HydrophobicContact CB-CB 3.73Å; F384-K429 HydrophobicContact CD1-CB 4.42Å; F384-K429 HydrophobicContact CD2-CB 4.26Å; F384-K429 VanDerWaalsContact CD2-O 3.27Å; F384-K429 WeakPolarHBondContact CD2-O 3.36Å; F384-K429 HydrophobicContact CG-CB 3.89Å; F384-P431 HydrophobicContact CE2-CG 3.96Å; F384-P431 HydrophobicContact CZ-CG 4.17Å; F384-L460 HydrophobicContact CE2-CD1 4.11Å; F384-L460 HydrophobicContact CZ-CD1 4.47Å
385V97Very high84.7Confident0 Ų061.9 Ų61.90%031%0.312CS..EExtended strand (participates in β ladder)trans-115.8119.1-179.2-175.80000111K378 E379 Y382 Y387 A425 H426 L427 L460 L462K378-V385 WeakPolarHBondContact CA-O 3.2Å; K378-V385 WeakPolarHBondContact CG-O 3.36Å; E379-V385 HydrophobicContact CB-CB 3.79Å; E379-V385 HydrophobicContact CB-CG1 4.04Å; E379-V385 PolarHBondContact N-O 3.36Å; Y382-V385 HydrophobicContact CD2-CG2 3.86Å; Y382-V385 HydrophobicContact CG-CG2 4.07Å; V385-Y387 HydrophobicContact CG1-CE1 4.2Å; V385-Y387 HydrophobicContact CG1-CE2 4.49Å; V385-A425 HydrophobicContact CG1-CB 4.26Å; V385-H426 CarbonylContact C-O 3.58Å; V385-H426 WeakPolarHBondContact CA-O 3.5Å; V385-L427 HydrophobicContact CG2-CG 4.28Å; V385-L460 HydrophobicContact CG2-CD1 4.06Å; V385-L462 HydrophobicContact CG1-CD2 4.04Å
386W97.6Very high82.3Confident9 Ų963.8 Ų63.83%0.03433%0.327CS..EExtended strand (participates in β ladder)trans-123.6155.9-176.2-54.982.7000111.7I325 E326 T329 F330 Q377 K378 A425 H426I325-W386 HydrophobicContact CG2-CB 3.65Å; I325-W386 HydrophobicContact CG2-CG 3.75Å; E326-W386 HydrophobicContact CB-CH2 4.46Å; E326-W386 VanDerWaalsContact CD-CZ2 3.47Å; E326-W386 HydrophobicContact CG-CD2 4.26Å; E326-W386 HydrophobicContact CG-CE3 4.35Å; E326-W386 HydrophobicContact CG-CH2 3.57Å; E326-W386 HydrophobicContact CG-CZ2 3.49Å; E326-W386 VanDerWaalsContact CG-CZ2 3.49Å; E326-W386 HydrophobicContact CG-CZ3 4.03Å; E326-W386 WeakPolarHBondContact OE2-CH2 3.48Å; T329-W386 HydrophobicContact CG2-CB 3.63Å; F330-W386 HydrophobicContact CE2-CH2 4.31Å; F330-W386 AromaticContact CE2-CZ3 3.78Å; F330-W386 HydrophobicContact CE2-CZ3 3.78Å; F330-W386 HydrophobicContact CZ-CH2 4.45Å; F330-W386 AromaticContact CZ-CZ3 3.76Å; F330-W386 HydrophobicContact CZ-CZ3 3.76Å; Q377-W386 CarbonylContact O-C 3.54Å; Q377-W386 VanDerWaalsContact O-CA 3.3Å; Q377-W386 WeakPolarHBondContact O-CA 3.17Å; K378-W386 HydrophobicContact CB-CD2 4.29Å; K378-W386 HydrophobicContact CB-CE3 3.82Å; K378-W386 HydrophobicContact CB-CZ3 4Å; K378-W386 HydrophobicContact CD-CD2 4.22Å; K378-W386 HydrophobicContact CD-CE3 4.21Å; K378-W386 HydrophobicContact CD-CH2 3.68Å; K378-W386 HydrophobicContact CD-CZ2 3.64Å; K378-W386 HydrophobicContact CD-CZ3 3.95Å; K378-W386 HydrophobicContact CG-CD2 4.16Å; K378-W386 HydrophobicContact CG-CE3 4.15Å; K378-W386 HydrophobicContact CG-CH2 4.5Å; K378-W386 HydrophobicContact CG-CZ2 4.46Å; K378-W386 HydrophobicContact CG-CZ3 4.33Å; W386-A425 CarbonylContact O-C 3.5Å; W386-A425 WeakPolarHBondContact O-CA 3.36Å; W386-H426 HydrophobicContact CB-CB 4.42Å; W386-H426 PolarHBondContact N-O 3.47Å; W386-H426 PolarHBondContact O-N 3.28Å
387Y96.6Very high80Confident0 Ų066.1 Ų66.10%034%0.34CS..EExtended strand (participates in β ladder)trans-126.9136.2-175.1-58.9-71.1000114.3W374 I376 Q377 E379 V385 V423 Y424 A425 L462 I465 M523W374-Y387 HydrophobicContact CE3-CD1 4.25Å; W374-Y387 AromaticContact CE3-CD2 3.72Å; W374-Y387 HydrophobicContact CE3-CD2 3.72Å; W374-Y387 HydrophobicContact CE3-CE2 4.42Å; W374-Y387 AromaticContact CE3-CG 3.61Å; W374-Y387 HydrophobicContact CE3-CG 3.61Å; W374-Y387 HydrophobicContact CZ3-CD1 4.45Å; W374-Y387 AromaticContact CZ3-CD2 3.85Å; W374-Y387 HydrophobicContact CZ3-CD2 3.85Å; W374-Y387 HydrophobicContact CZ3-CE2 4.1Å; W374-Y387 HydrophobicContact CZ3-CG 4.04Å; I376-Y387 HydrophobicContact CG2-CD2 4.33Å; I376-Y387 HydrophobicContact CG2-CE2 4.5Å; I376-Y387 WeakPolarHBondContact O-CB 3.41Å; I376-Y387 WeakPolarHBondContact O-CD2 3.41Å; Q377-Y387 PolarHBondContact O-N 2.92Å; E379-Y387 HydrophobicContact CB-CE2 3.91Å; E379-Y387 PolarHBondContact OE2-OH 2.77Å; V385-Y387 HydrophobicContact CG1-CE1 4.2Å; V385-Y387 HydrophobicContact CG1-CE2 4.49Å; Y387-V423 HydrophobicContact CD1-CG1 4.18Å; Y387-Y424 VanDerWaalsContact CA-O 3.3Å; Y387-Y424 WeakPolarHBondContact CA-O 3.38Å; Y387-A425 HydrophobicContact CD1-CB 3.93Å; Y387-A425 HydrophobicContact CE1-CB 3.58Å; Y387-L462 WeakPolarHBondContact OH-CD2 3.17Å; Y387-I465 HydrophobicContact CE1-CD1 4.1Å; Y387-I465 HydrophobicContact CE1-CG1 4.36Å; Y387-M523 HydrophobicContact CD1-CE 4.02Å; Y387-M523 HydrophobicContact CE1-CE 3.83Å
388T96.3Very high77.5Confident0 Ų070.7 Ų70.70%037%0.365CS..EExtended strand (participates in β ladder)trans-124.5165161.967.60000108.9V328 T329 G367 Q372 Y424 H426V328-T388 HydrophobicContact CG1-CG2 3.99Å; T329-T388 HydrophobicContact CG2-CG2 3.81Å; G367-T388 PolarHBondContact O-OG1 3.47Å; Q372-T388 CarbonylContact O-C 3.55Å; Q372-T388 WeakPolarHBondContact O-CA 3.38Å; T388-Y424 PolarHBondContact N-O 2.83Å; T388-Y424 PolarHBondContact O-N 2.93Å; T388-H426 WeakPolarHBondContact CG2-NE2 3.17Å; T388-H426 PolarHBondContact OG1-NE2 3.18Å; T388-H426 VanDerWaalsContact OG1-NE2 3.1Å
389Y94.5Very high75.2Confident69 Ų6971.7 Ų71.727%0.27137%0.374SS..EExtended strand (participates in β ladder)trans-136151.7169.887.1-80.7000111.7T371 Q372 P373 W374 P391 I422T371-Y389 CarbonylContact C-O 3.56Å; T371-Y389 WeakPolarHBondContact CA-O 3.33Å; T371-Y389 WeakPolarHBondContact CB-O 3.48Å; Q372-Y389 HydrophobicContact CB-CD1 3.82Å; Q372-Y389 HydrophobicContact CB-CE1 3.36Å; Q372-Y389 HydrophobicContact CG-CE1 4.35Å; Q372-Y389 PolarHBondContact N-O 3.49Å; Q372-Y389 WeakPolarHBondContact O-CD1 3.41Å; Q372-Y389 PolarHBondContact O-N 3.31Å; P373-Y389 WeakPolarHBondContact O-CD1 3.39Å; P373-Y389 WeakPolarHBondContact O-CE1 3.25Å; W374-Y389 HydrophobicContact CB-CD1 4.29Å; Y389-P391 HydrophobicContact CE2-CB 4.18Å; Y389-P391 HydrophobicContact CE2-CG 4.47Å; Y389-I422 CarbonylContact C-O 3.51Å; Y389-I422 VanDerWaalsContact CA-O 3.22Å; Y389-I422 WeakPolarHBondContact CA-O 3.5Å
390K91.8Very high73.1Confident54 Ų5477 Ų7724%0.23540%0.399CS..EExtended strand (participates in β ladder)trans-113.4119173-169.5171.4-123.4147.20108.7E366 Y369 T371 V392 I422 Y424E366-K390 PolarHBondContact O-NZ 2.85Å; Y369-K390 WeakPolarHBondContact O-CE 3.49Å; Y369-K390 PolarHBondContact O-NZ 3.43Å; T371-K390 HydrophobicContact CG2-CB 4.37Å; K390-V392 PolarHBondContact O-N 2.78Å; K390-I422 PolarHBondContact N-O 2.82Å; K390-I422 PolarHBondContact O-N 3.13Å; K390-I422 VanDerWaalsContact O-N 3.17Å; K390-Y424 HydrophobicContact CB-CE2 3.81Å
391P80.3Confident71.1Confident56 Ų5675.1 Ų75.136%0.36438%0.379SS..EExtended strand (participates in β ladder)trans-65.7129.8171.826.5-31.1000108.7Y389 K393Y389-P391 HydrophobicContact CE2-CB 4.18Å; Y389-P391 HydrophobicContact CE2-CG 4.47Å; P391-K393 PolarHBondContact O-N 3.21Å
392V68.9Low69.4Low70 Ų7076.7 Ų76.742%0.42439%0.387SS..PPolyproline II helixtrans-67.2121.9170.5173.40000107.3K390 D394 P420 I422K390-V392 PolarHBondContact O-N 2.78Å; V392-D394 PolarHBondContact O-N 3.34Å; V392-P420 WeakPolarHBondContact CB-O 3.21Å; V392-P420 WeakPolarHBondContact CG2-O 3.36Å; V392-I422 HydrophobicContact CG2-CG1 4.3Å
393K57.2Low67.7Low134 Ų13483.1 Ų83.158%0.58342%0.416SS*.PPolyproline II helixtrans-66.9131.2177.1-69.8178.8-179.91740108.2P391 S395P391-K393 PolarHBondContact O-N 3.21Å; K393-S395 PolarHBondContact O-N 2.97Å
394D43.8Very low65.5Low112 Ų11280.1 Ų80.160%0.59940%0.398SS*.SBendtrans-63.814.9171.7-79.5-37000114.1V392V392-D394 PolarHBondContact O-N 3.34Å
395S36.9Very low64.1Low77 Ų7782.9 Ų82.954%0.53842%0.419SS..  trans-126.787.6-173.866.10000110.8K393K393-S395 PolarHBondContact O-N 2.97Å
396E39.6Very low62.7Low182 Ų18290.1 Ų90.185%0.8545%0.45SS*.SBendtrans-161.8117.4143.9-103.6156.2-147.300107.2
397D40.3Very low61Low99 Ų9995.2 Ų95.253%0.52948%0.477SS..  trans65.172.5180-72.2-36.4000120.2N399 E400 Y401D397-N399 PolarHBondContact O-N 2.96Å; D397-E400 HydrophobicContact CB-CB 4.01Å; D397-E400 PolarHBondContact O-N 2.98Å; D397-Y401 WeakPolarHBondContact O-CD2 3.21Å
398I42Very low59Low134 Ų134101.3 Ų101.369%0.68750%0.501SS*.Hα-helixtrans-46.4-31.4152.6-68.9172.5000111.3E400 Y401I398-E400 VanDerWaalsContact C-N 3.31Å; I398-E400 PolarHBondContact O-N 3.25Å; I398-Y401 PolarHBondContact O-N 2.98Å
399N46.8Very low57.1Low114 Ų114103.5 Ų103.561%0.6151%0.512SS*.Hα-helixtrans-66.7-25.2177.4-75.5-31.2000114.3D397D397-N399 PolarHBondContact O-N 2.96Å
400E49.2Very low55.2Low112 Ų112104.5 Ų104.552%0.52352%0.522SS..Hα-helixtrans-75.1-36.8175-127.9-173.4-171.600111.2D397 I398 I402 K403 M404D397-E400 HydrophobicContact CB-CB 4.01Å; D397-E400 PolarHBondContact O-N 2.98Å; I398-E400 VanDerWaalsContact C-N 3.31Å; I398-E400 PolarHBondContact O-N 3.25Å; E400-I402 VanDerWaalsContact C-N 3.29Å; E400-I402 PolarHBondContact O-N 3.46Å; E400-K403 PolarHBondContact O-N 3.31Å; E400-K403 VanDerWaalsContact O-N 3.1Å; E400-M404 PolarHBondContact O-N 3.37Å
401Y46.6Very low53.3Low61 Ų61107.7 Ų107.724%0.23954%0.538CS..Hα-helixtrans-62.9-34.4179.9-66.9-86.1000112.9D397 I398 K403 M404 L409 I416D397-Y401 WeakPolarHBondContact O-CD2 3.21Å; I398-Y401 PolarHBondContact O-N 2.98Å; Y401-K403 PolarHBondContact O-N 2.96Å; Y401-M404 PolarHBondContact O-N 3.06Å; Y401-L409 HydrophobicContact CD1-CD1 4.03Å; Y401-I416 HydrophobicContact CE1-CD1 4.45Å
402I52Low51.6Low135 Ų135109 Ų10969%0.69254%0.535SS*.THydrogen-bonded Turntrans-66.2-25.2178.7-62.7173.2000111.6E400E400-I402 VanDerWaalsContact C-N 3.29Å; E400-I402 PolarHBondContact O-N 3.46Å
403K56Low50.5Low183 Ų183109.6 Ų109.680%0.79654%0.535SS*.THydrogen-bonded Turntrans-89.6-11.5179.2-64.7-178-177.4175.30113.5E400 Y401E400-K403 PolarHBondContact O-N 3.31Å; E400-K403 VanDerWaalsContact O-N 3.1Å; Y401-K403 PolarHBondContact O-N 2.96Å
404M48Very low50.1Low59 Ų59106.7 Ų106.729%0.29153%0.532SS..SBendtrans-77.6135.3-177.4-72.6-171.1105.200111.7E400 Y401E400-M404 PolarHBondContact O-N 3.37Å; Y401-M404 PolarHBondContact O-N 3.06Å
405P64.8Low49.9Very low81 Ų81105.3 Ų105.353%0.52652%0.519SS..  trans-57.9141.6170.4-20.630.8000111.4I407 Y408 L409P405-I407 PolarHBondContact O-N 3.33Å; P405-Y408 HydrophobicContact CB-CD2 4.16Å; P405-Y408 HydrophobicContact CG-CD2 4.11Å; P405-Y408 WeakPolarHBondContact O-CB 3.47Å; P405-Y408 PolarHBondContact O-N 3.09Å; P405-L409 PolarHBondContact O-N 3.5Å; P405-L409 VanDerWaalsContact O-N 3.12Å
406F67.6Low50Low151 Ų151104.6 Ų104.666%0.66251%0.508SS*.Hα-helixtrans-51.9-32.2-171.6-173.8-106.6000114.9L409 L410F406-L409 WeakPolarHBondContact O-CB 3.37Å; F406-L409 PolarHBondContact O-N 2.73Å; F406-L410 HydrophobicContact CD1-CD1 3.89Å; F406-L410 HydrophobicContact CD1-CG 4.48Å; F406-L410 HydrophobicContact CE1-CD1 3.46Å; F406-L410 VanDerWaalsContact CE1-CD1 3.46Å; F406-L410 HydrophobicContact CE1-CG 4.12Å; F406-L410 HydrophobicContact CZ-CD1 4.05Å; F406-L410 HydrophobicContact CZ-CG 4.28Å; F406-L410 PolarHBondContact O-N 2.89Å
407I61.8Low50.4Low117 Ų117104.7 Ų104.760%0.651%0.506SS*.Hα-helixtrans-71.1-35.6178.6-152.9156000112.7P405 L410 Q411P405-I407 PolarHBondContact O-N 3.33Å; I407-L410 PolarHBondContact O-N 3.06Å; I407-Q411 PolarHBondContact O-N 3.5Å; I407-Q411 VanDerWaalsContact O-N 3.11Å
408Y54.9Low50.7Low128 Ų128107.5 Ų107.550%0.50252%0.516SS..Hα-helixtrans-69.7-38.2171.6-77.9-80.8000110.5P405 L410 Q411 R412P405-Y408 HydrophobicContact CB-CD2 4.16Å; P405-Y408 HydrophobicContact CG-CD2 4.11Å; P405-Y408 WeakPolarHBondContact O-CB 3.47Å; P405-Y408 PolarHBondContact O-N 3.09Å; Y408-L410 PolarHBondContact O-N 3.43Å; Y408-Q411 PolarHBondContact O-N 2.84Å; Y408-R412 VanDerWaalsContact O-CB 3.3Å; Y408-R412 WeakPolarHBondContact O-CB 3.26Å; Y408-R412 PolarHBondContact O-N 3.24Å
409L55.9Low51.1Low45 Ų45104.9 Ų104.924%0.23650%0.503CS..Hα-helixtrans-61-42.7174.5-172.670.2000111.5Y401 P405 F406 R412 I413Y401-L409 HydrophobicContact CD1-CD1 4.03Å; P405-L409 PolarHBondContact O-N 3.5Å; P405-L409 VanDerWaalsContact O-N 3.12Å; F406-L409 WeakPolarHBondContact O-CB 3.37Å; F406-L409 PolarHBondContact O-N 2.73Å; L409-R412 CarbonylContact O-C 3.6Å; L409-R412 PolarHBondContact O-N 2.89Å; L409-I413 HydrophobicContact CD1-CD1 4.29Å; L409-I413 HydrophobicContact CD1-CG1 4.46Å; L409-I413 HydrophobicContact CD2-CD1 4.25Å; L409-I413 HydrophobicContact CG-CD1 3.78Å; L409-I413 HydrophobicContact CG-CG1 4.31Å; L409-I413 WeakPolarHBondContact O-CB 3.35Å; L409-I413 WeakPolarHBondContact O-CG1 3.42Å; L409-I413 PolarHBondContact O-N 3.02Å
410L53.9Low51.5Low91 Ų91100.8 Ų100.848%0.47648%0.483SS..Hα-helixtrans-65.4-43.5176.5-80.9170000112.9F406 I407 Y408 R412 I413 S414F406-L410 HydrophobicContact CD1-CD1 3.89Å; F406-L410 HydrophobicContact CD1-CG 4.48Å; F406-L410 HydrophobicContact CE1-CD1 3.46Å; F406-L410 VanDerWaalsContact CE1-CD1 3.46Å; F406-L410 HydrophobicContact CE1-CG 4.12Å; F406-L410 HydrophobicContact CZ-CD1 4.05Å; F406-L410 HydrophobicContact CZ-CG 4.28Å; F406-L410 PolarHBondContact O-N 2.89Å; I407-L410 PolarHBondContact O-N 3.06Å; Y408-L410 PolarHBondContact O-N 3.43Å; L410-R412 VanDerWaalsContact C-N 3.3Å; L410-R412 PolarHBondContact O-N 2.9Å; L410-I413 PolarHBondContact O-N 3.31Å; L410-S414 PolarHBondContact O-N 2.88Å
411Q53.2Low52.6Low121 Ų12196.7 Ų96.757%0.56547%0.467SS*.Hα-helixtrans-60.4-43173.2-76.1179.9-20.700110.7I407 Y408 S414 Y415I407-Q411 PolarHBondContact O-N 3.5Å; I407-Q411 VanDerWaalsContact O-N 3.11Å; Y408-Q411 PolarHBondContact O-N 2.84Å; Q411-S414 PolarHBondContact O-N 3.23Å; Q411-S414 PolarHBondContact O-OG 3.49Å; Q411-Y415 WeakPolarHBondContact O-CB 3.29Å; Q411-Y415 PolarHBondContact O-N 2.66Å
412R43.6Very low54.7Low82 Ų8295.7 Ų95.731%0.30947%0.465SS..Hα-helixtrans-72-31.1179-135.2178.7-168.4-160.46.3113.2Y408 L409 L410 Y415 I416Y408-R412 VanDerWaalsContact O-CB 3.3Å; Y408-R412 WeakPolarHBondContact O-CB 3.26Å; Y408-R412 PolarHBondContact O-N 3.24Å; L409-R412 CarbonylContact O-C 3.6Å; L409-R412 PolarHBondContact O-N 2.89Å; L410-R412 VanDerWaalsContact C-N 3.3Å; L410-R412 PolarHBondContact O-N 2.9Å; R412-Y415 HydrophobicContact CG-CD1 4.15Å; R412-Y415 CarbonylContact O-C 3.55Å; R412-Y415 WeakPolarHBondContact O-CA 3.37Å; R412-Y415 VanDerWaalsContact O-CB 3.31Å; R412-Y415 WeakPolarHBondContact O-CB 3.41Å; R412-Y415 PolarHBondContact O-N 3.28Å; R412-I416 WeakPolarHBondContact O-CG1 2.98Å; R412-I416 PolarHBondContact O-N 2.79Å
413I46.6Very low56.8Low83 Ų8389.3 Ų89.343%0.42643%0.432SS..Hα-helixtrans-70.1-37.7172.1-73.3169.3000110.5L409 L410 Y415 I416 K417L409-I413 HydrophobicContact CD1-CD1 4.29Å; L409-I413 HydrophobicContact CD1-CG1 4.46Å; L409-I413 HydrophobicContact CD2-CD1 4.25Å; L409-I413 HydrophobicContact CG-CD1 3.78Å; L409-I413 HydrophobicContact CG-CG1 4.31Å; L409-I413 WeakPolarHBondContact O-CB 3.35Å; L409-I413 WeakPolarHBondContact O-CG1 3.42Å; L409-I413 PolarHBondContact O-N 3.02Å; L410-I413 PolarHBondContact O-N 3.31Å; I413-Y415 PolarHBondContact O-N 2.88Å; I413-I416 PolarHBondContact O-N 2.82Å; I413-K417 PolarHBondContact O-N 2.94Å
414S48Very low58.7Low73 Ų7380.6 Ų80.651%0.5140%0.395SS..Hα-helixtrans-64.7-31.6170.491.40000111.8L410 Q411 K417L410-S414 PolarHBondContact O-N 2.88Å; Q411-S414 PolarHBondContact O-N 3.23Å; Q411-S414 PolarHBondContact O-OG 3.49Å; S414-K417 WeakPolarHBondContact O-CB 3.43Å; S414-K417 PolarHBondContact O-N 3.41Å
415Y39.4Very low61.1Low84 Ų8477.8 Ų77.833%0.32938%0.381SS..Hα-helixtrans-76.4-36177.5177.9-102.1000113.5Q411 R412 I413 K417 Q418 N419 P420Q411-Y415 WeakPolarHBondContact O-CB 3.29Å; Q411-Y415 PolarHBondContact O-N 2.66Å; R412-Y415 HydrophobicContact CG-CD1 4.15Å; R412-Y415 CarbonylContact O-C 3.55Å; R412-Y415 WeakPolarHBondContact O-CA 3.37Å; R412-Y415 VanDerWaalsContact O-CB 3.31Å; R412-Y415 WeakPolarHBondContact O-CB 3.41Å; R412-Y415 PolarHBondContact O-N 3.28Å; I413-Y415 PolarHBondContact O-N 2.88Å; Y415-K417 PolarHBondContact O-N 3.2Å; Y415-Q418 CarbonylContact O-C 3.5Å; Y415-Q418 WeakPolarHBondContact O-CA 3.49Å; Y415-Q418 PolarHBondContact O-N 2.86Å; Y415-N419 PolarHBondContact O-N 2.88Å; Y415-N419 VanDerWaalsContact O-N 3.1Å; Y415-P420 HydrophobicContact CD1-CG 4.21Å; Y415-P420 HydrophobicContact CE1-CB 4.01Å; Y415-P420 HydrophobicContact CE1-CG 3.35Å; Y415-P420 HydrophobicContact CE2-CB 3.97Å; Y415-P420 HydrophobicContact CE2-CG 4.18Å; Y415-P420 VanDerWaalsContact CZ-CB 3.41Å; Y415-P420 WeakPolarHBondContact OH-CB 3.34Å; Y415-P420 VanDerWaalsContact OH-CG 3.28Å; Y415-P420 WeakPolarHBondContact OH-CG 3.47Å
416I40.7Very low62.6Low61 Ų6174 Ų7431%0.31336%0.356SS..Hα-helixtrans-61.1-35.4170.5-70.9165.5000110Y401 R412 I413 Q418 N419Y401-I416 HydrophobicContact CE1-CD1 4.45Å; R412-I416 WeakPolarHBondContact O-CG1 2.98Å; R412-I416 PolarHBondContact O-N 2.79Å; I413-I416 PolarHBondContact O-N 2.82Å; I416-Q418 PolarHBondContact O-N 2.94Å; I416-N419 PolarHBondContact O-N 3.26Å
417K46.6Very low64Low185 Ų18566.8 Ų66.880%0.80432%0.324SS*.THydrogen-bonded Turntrans-65.9-13.6171.9-81.9-173.4174.3-177.30114.1I413 S414 Y415I413-K417 PolarHBondContact O-N 2.94Å; S414-K417 WeakPolarHBondContact O-CB 3.43Å; S414-K417 PolarHBondContact O-N 3.41Å; Y415-K417 PolarHBondContact O-N 3.2Å
418Q46.7Very low65.6Low157 Ų15762.9 Ų62.973%0.73431%0.306SS*.THydrogen-bonded Turntrans-116.38.3179.2-70-171.8-1.300114.6Y415 I416Y415-Q418 CarbonylContact O-C 3.5Å; Y415-Q418 WeakPolarHBondContact O-CA 3.49Å; Y415-Q418 PolarHBondContact O-N 2.86Å; I416-Q418 PolarHBondContact O-N 2.94Å
419N50.9Low67.4Low80 Ų8062.5 Ų62.543%0.42831%0.307SS..  trans35.687.7172.6-94.1-26.2000114.2Y415 I416 S421Y415-N419 PolarHBondContact O-N 2.88Å; Y415-N419 VanDerWaalsContact O-N 3.1Å; I416-N419 PolarHBondContact O-N 3.26Å; N419-S421 PolarHBondContact O-N 2.98Å; N419-S421 PolarHBondContact O-OG 2.91Å
420P54.2Low69Low28 Ų2861.5 Ų61.518%0.18230%0.3CS..  trans-57104.9170.230.5-40.3000108.8V392 Y415V392-P420 WeakPolarHBondContact CB-O 3.21Å; V392-P420 WeakPolarHBondContact CG2-O 3.36Å; Y415-P420 HydrophobicContact CD1-CG 4.21Å; Y415-P420 HydrophobicContact CE1-CB 4.01Å; Y415-P420 HydrophobicContact CE1-CG 3.35Å; Y415-P420 HydrophobicContact CE2-CB 3.97Å; Y415-P420 HydrophobicContact CE2-CG 4.18Å; Y415-P420 VanDerWaalsContact CZ-CB 3.41Å; Y415-P420 WeakPolarHBondContact OH-CB 3.34Å; Y415-P420 VanDerWaalsContact OH-CG 3.28Å; Y415-P420 WeakPolarHBondContact OH-CG 3.47Å
421S72.7Confident70.8Confident26 Ų2657.8 Ų57.818%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-93.9136.9179-65.60000107.3N419N419-S421 PolarHBondContact O-N 2.98Å; N419-S421 PolarHBondContact O-OG 2.91Å
422I92.2Very high72.4Confident40 Ų4057.9 Ų57.921%0.20529%0.286CS..EExtended strand (participates in β ladder)trans-80.7120166.6-53.9178.4000105.9Y389 K390 V392 Y424 R522 T524Y389-I422 CarbonylContact C-O 3.51Å; Y389-I422 VanDerWaalsContact CA-O 3.22Å; Y389-I422 WeakPolarHBondContact CA-O 3.5Å; K390-I422 PolarHBondContact N-O 2.82Å; K390-I422 PolarHBondContact O-N 3.13Å; K390-I422 VanDerWaalsContact O-N 3.17Å; V392-I422 HydrophobicContact CG2-CG1 4.3Å; I422-Y424 HydrophobicContact CB-CE2 4.1Å; I422-Y424 HydrophobicContact CG2-CD2 4.4Å; I422-Y424 HydrophobicContact CG2-CE1 3.96Å; I422-Y424 HydrophobicContact CG2-CE2 3.71Å; I422-Y424 VanDerWaalsContact CG2-CZ 3.46Å; I422-Y424 WeakPolarHBondContact CG2-OH 3.26Å; I422-R522 HydrophobicContact CG2-CG 3.52Å; I422-T524 HydrophobicContact CG1-CG2 4.4Å; I422-T524 HydrophobicContact CG2-CG2 4.37Å
423V94.6Very high74.4Confident1 Ų157.8 Ų57.81%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-101.6136.3176.2-174.80000108W374 Y387 I465 M523 V526W374-V423 HydrophobicContact CD2-CG1 3.92Å; W374-V423 HydrophobicContact CE3-CG1 4.34Å; W374-V423 HydrophobicContact CG-CG1 4.09Å; Y387-V423 HydrophobicContact CD1-CG1 4.18Å; V423-I465 HydrophobicContact CG1-CD1 4.48Å; V423-M523 HydrophobicContact CB-CB 4.48Å; V423-M523 HydrophobicContact CB-CE 3.85Å; V423-M523 HydrophobicContact CG1-CE 3.48Å; V423-M523 VanDerWaalsContact CG1-CE 3.48Å; V423-M523 PolarHBondContact N-O 3.26Å; V423-M523 WeakPolarHBondContact O-CA 3.18Å; V423-M523 WeakPolarHBondContact O-CB 3.41Å; V423-M523 PolarHBondContact O-N 3Å; V423-V526 HydrophobicContact CB-CG2 3.88Å; V423-V526 HydrophobicContact CG2-CG2 3.76Å
424Y96.8Very high76Confident0 Ų059 Ų590%030%0.295CS..EExtended strand (participates in β ladder)trans-113129.1177.9-59.2-90000109E366 G367 T371 Y387 T388 K390 I422 T520 I521 R522E366-Y424 HydrophobicContact CB-CE1 4.34Å; E366-Y424 HydrophobicContact CG-CE1 4.07Å; E366-Y424 WeakPolarHBondContact CG-OH 3.21Å; E366-Y424 WeakPolarHBondContact OE1-CE1 3.47Å; E366-Y424 PolarHBondContact OE1-OH 2.79Å; G367-Y424 VanDerWaalsContact CA-CG 3.41Å; T371-Y424 HydrophobicContact CG2-CD2 4.35Å; T371-Y424 HydrophobicContact CG2-CE2 4.31Å; Y387-Y424 VanDerWaalsContact CA-O 3.3Å; Y387-Y424 WeakPolarHBondContact CA-O 3.38Å; T388-Y424 PolarHBondContact N-O 2.83Å; T388-Y424 PolarHBondContact O-N 2.93Å; K390-Y424 HydrophobicContact CB-CE2 3.81Å; I422-Y424 HydrophobicContact CB-CE2 4.1Å; I422-Y424 HydrophobicContact CG2-CD2 4.4Å; I422-Y424 HydrophobicContact CG2-CE1 3.96Å; I422-Y424 HydrophobicContact CG2-CE2 3.71Å; I422-Y424 VanDerWaalsContact CG2-CZ 3.46Å; I422-Y424 WeakPolarHBondContact CG2-OH 3.26Å; Y424-T520 HydrophobicContact CD1-CG2 3.88Å; Y424-T520 HydrophobicContact CG-CG2 4.33Å; Y424-I521 CarbonylContact C-O 3.56Å; Y424-I521 WeakPolarHBondContact CA-O 3.32Å; Y424-R522 HydrophobicContact CD1-CB 4.1Å; Y424-R522 HydrophobicContact CD1-CG 4.26Å; Y424-R522 HydrophobicContact CE1-CB 4.01Å; Y424-R522 HydrophobicContact CE1-CG 3.77Å
425A97.1Very high77.6Confident0 Ų058.2 Ų58.20%029%0.289CS..EExtended strand (participates in β ladder)trans-100.7115.7170.400000109.1V385 W386 Y387 L427 T520 I521 M523V385-A425 HydrophobicContact CG1-CB 4.26Å; W386-A425 CarbonylContact O-C 3.5Å; W386-A425 WeakPolarHBondContact O-CA 3.36Å; Y387-A425 HydrophobicContact CD1-CB 3.93Å; Y387-A425 HydrophobicContact CE1-CB 3.58Å; A425-L427 HydrophobicContact CB-CD1 4.23Å; A425-L427 WeakPolarHBondContact O-CD1 3.43Å; A425-T520 CarbonylContact O-C 3.58Å; A425-T520 WeakPolarHBondContact O-CA 3.34Å; A425-I521 HydrophobicContact CB-CB 4.31Å; A425-I521 PolarHBondContact N-O 2.88Å; A425-I521 PolarHBondContact O-N 2.92Å; A425-M523 HydrophobicContact CB-CE 3.87Å; A425-M523 HydrophobicContact CB-SD 4.31Å
426H97.6Very high78.9Confident0 Ų059.7 Ų59.70%030%0.302CS..EExtended strand (participates in β ladder)trans-97.3118.4177.1-52.7-72.7000109.9I325 G367 V385 W386 T388 W519 T520I325-H426 HydrophobicContact CD1-CB 4.04Å; I325-H426 HydrophobicContact CG1-CB 4.21Å; I325-H426 HydrophobicContact CG2-CB 3.76Å; G367-H426 PolarHBondContact O-CE1 2.83Å; G367-H426 PolarHBondContact O-NE2 3.27Å; G367-H426 VanDerWaalsContact O-NE2 3.14Å; V385-H426 CarbonylContact C-O 3.58Å; V385-H426 WeakPolarHBondContact CA-O 3.5Å; W386-H426 HydrophobicContact CB-CB 4.42Å; W386-H426 PolarHBondContact N-O 3.47Å; W386-H426 PolarHBondContact O-N 3.28Å; T388-H426 WeakPolarHBondContact CG2-NE2 3.17Å; T388-H426 PolarHBondContact OG1-NE2 3.18Å; T388-H426 VanDerWaalsContact OG1-NE2 3.1Å; H426-W519 CarbonylContact C-O 3.59Å; H426-W519 WeakPolarHBondContact CA-O 3.35Å; H426-T520 PolarHBondContact ND1-OG1 2.69Å
427L96.8Very high79.5Confident0 Ų063.2 Ų63.20%032%0.322CS..EExtended strand (participates in β ladder)trans-100.4108.9179.2-74.366.3000108.3F384 V385 A425 K429 W430 P431 L460 L503 A518 W519 I521F384-L427 CarbonylContact O-C 3.51Å; F384-L427 VanDerWaalsContact O-CA 3.26Å; F384-L427 WeakPolarHBondContact O-CA 3.44Å; V385-L427 HydrophobicContact CG2-CG 4.28Å; A425-L427 HydrophobicContact CB-CD1 4.23Å; A425-L427 WeakPolarHBondContact O-CD1 3.43Å; L427-K429 PolarHBondContact O-N 3.38Å; L427-W430 HydrophobicContact CD2-CE3 3.96Å; L427-W430 HydrophobicContact CD2-CZ3 3.93Å; L427-P431 HydrophobicContact CD2-CG 4.48Å; L427-L460 HydrophobicContact CD1-CD2 4.23Å; L427-L460 HydrophobicContact CD2-CD2 4.04Å; L427-L460 HydrophobicContact CG-CD2 4.44Å; L427-L503 HydrophobicContact CD2-CD1 4.43Å; L427-A518 CarbonylContact O-C 3.58Å; L427-A518 WeakPolarHBondContact O-CA 3.34Å; L427-A518 VanDerWaalsContact O-CB 3.31Å; L427-A518 WeakPolarHBondContact O-CB 3.44Å; L427-W519 HydrophobicContact CB-CB 4.37Å; L427-W519 HydrophobicContact CB-CE3 4.37Å; L427-W519 PolarHBondContact N-O 3.25Å; L427-W519 PolarHBondContact O-N 2.58Å; L427-I521 HydrophobicContact CD1-CD1 4.09Å; L427-I521 HydrophobicContact CD1-CG1 4.29Å; L427-I521 HydrophobicContact CD2-CD1 4.5Å
428T95.3Very high79.5Confident35 Ų3560.7 Ų60.722%0.21532%0.317CS..SBendtrans-78.7-10.8173.956.90000112.6I325 F384I325-T428 HydrophobicContact CD1-CG2 3.78Å; F384-T428 WeakPolarHBondContact CA-OG1 3.33Å; F384-T428 WeakPolarHBondContact CB-OG1 3.48Å; F384-T428 PolarHBondContact O-N 2.82Å; F384-T428 PolarHBondContact O-OG1 2.74Å
429K92.1Very high79.3Confident120 Ų12059.7 Ų59.752%0.52232%0.316SS..SBendtrans-140.2137.8174.7-175.6179.3178.4-1800109.4F384 L427F384-K429 HydrophobicContact CB-CB 3.73Å; F384-K429 HydrophobicContact CD1-CB 4.42Å; F384-K429 HydrophobicContact CD2-CB 4.26Å; F384-K429 VanDerWaalsContact CD2-O 3.27Å; F384-K429 WeakPolarHBondContact CD2-O 3.36Å; F384-K429 HydrophobicContact CG-CB 3.89Å; L427-K429 PolarHBondContact O-N 3.38Å
430W90.8Very high78.8Confident25 Ų2561.1 Ų61.110%0.09533%0.328CS..PPolyproline II helixtrans-80.9129.5174.3-158.4-115.1000110.3L427 R458 L476 L503 P504 I507 W519L427-W430 HydrophobicContact CD2-CE3 3.96Å; L427-W430 HydrophobicContact CD2-CZ3 3.93Å; W430-R458 VanDerWaalsContact CD1-NH1 3.3Å; W430-R458 VanDerWaalsContact NE1-CZ 3.33Å; W430-L476 HydrophobicContact CH2-CD1 3.97Å; W430-L476 HydrophobicContact CH2-CD2 3.76Å; W430-L476 HydrophobicContact CZ3-CD1 4.09Å; W430-L503 HydrophobicContact CH2-CB 4.42Å; W430-L503 HydrophobicContact CH2-CD1 4.24Å; W430-L503 HydrophobicContact CH2-CD2 4.19Å; W430-L503 HydrophobicContact CZ2-CB 3.87Å; W430-L503 HydrophobicContact CZ2-CD1 4.1Å; W430-L503 HydrophobicContact CZ2-CD2 4.47Å; W430-L503 HydrophobicContact CZ2-CG 4.38Å; W430-P504 HydrophobicContact CZ2-CG 4.17Å; W430-I507 HydrophobicContact CB-CD1 4.48Å; W430-I507 HydrophobicContact CD2-CD1 3.28Å; W430-I507 HydrophobicContact CD2-CG1 4.34Å; W430-I507 HydrophobicContact CE3-CD1 3.78Å; W430-I507 HydrophobicContact CG-CD1 3.64Å; W430-I507 HydrophobicContact CH2-CD1 4.02Å; W430-I507 HydrophobicContact CH2-CG1 4.4Å; W430-I507 HydrophobicContact CZ2-CD1 3.57Å; W430-I507 HydrophobicContact CZ2-CG1 3.77Å; W430-I507 HydrophobicContact CZ3-CD1 4.12Å; W430-W519 HydrophobicContact CB-CE3 4.05Å; W430-W519 HydrophobicContact CB-CH2 3.66Å; W430-W519 HydrophobicContact CB-CZ2 4.12Å; W430-W519 HydrophobicContact CB-CZ3 3.64Å; W430-W519 HydrophobicContact CD2-CD2 4.17Å; W430-W519 HydrophobicContact CD2-CE3 4.35Å; W430-W519 HydrophobicContact CE3-CB 3.93Å; W430-W519 AromaticContact CE3-CD2 3.34Å; W430-W519 HydrophobicContact CE3-CD2 3.34Å; W430-W519 AromaticContact CE3-CE2 3.94Å; W430-W519 AromaticContact CE3-CE3 3.57Å; W430-W519 HydrophobicContact CE3-CE3 3.57Å; W430-W519 AromaticContact CE3-CG 3.5Å; W430-W519 HydrophobicContact CE3-CG 3.5Å; W430-W519 VanDerWaalsContact CE3-CG 3.5Å; W430-W519 HydrophobicContact CE3-CZ3 4.36Å; W430-W519 HydrophobicContact CH2-CG 4.47Å; W430-W519 HydrophobicContact CZ3-CB 3.54Å; W430-W519 AromaticContact CZ3-CD1 3.92Å; W430-W519 AromaticContact CZ3-CD2 3.85Å; W430-W519 HydrophobicContact CZ3-CD2 3.85Å; W430-W519 HydrophobicContact CZ3-CE3 4.4Å; W430-W519 AromaticContact CZ3-CG 3.44Å; W430-W519 HydrophobicContact CZ3-CG 3.44Å; W430-W519 VanDerWaalsContact CZ3-CG 3.44Å
431P90Very high77.9Confident13 Ų1368.9 Ų68.98%0.08436%0.362CS..PPolyproline II helixtrans-59.5148.8-178.6-26.635000113.5F384 L427 R458 L460 L503F384-P431 HydrophobicContact CE2-CG 3.96Å; F384-P431 HydrophobicContact CZ-CG 4.17Å; L427-P431 HydrophobicContact CD2-CG 4.48Å; P431-R458 HydrophobicContact CB-CG 4.27Å; P431-R458 WeakPolarHBondContact O-CD 3.4Å; P431-R458 PolarHBondContact O-NE 2.84Å; P431-R458 PolarHBondContact O-NH2 3.13Å; P431-L460 HydrophobicContact CG-CD1 3.88Å; P431-L503 HydrophobicContact CB-CD1 4.45Å; P431-L503 HydrophobicContact CG-CD1 3.74Å
432N87.3Confident76.3Confident122 Ų12274 Ų7465%0.65239%0.386SS*.PPolyproline II helixtrans-70.4164.1171.5-72.7-23.6000111.1
433K85.4Confident73.6Confident80 Ų8076.6 Ų76.635%0.34841%0.407SS..PPolyproline II helixtrans-85.4135.4171.5-62.4-167.1-170.7-168.70109.6C456 R458 D505K433-C456 HydrophobicContact CB-CB 4.16Å; K433-C456 HydrophobicContact CD-CB 3.91Å; K433-R458 HydrophobicContact CG-CB 4.31Å; K433-D505 WeakPolarHBondContact CE-OD1 3.49Å; K433-D505 IonicContact NZ-OD1 2.7Å; K433-D505 PolarHBondContact NZ-OD1 3.3Å; K433-D505 IonicContact NZ-OD2 3.39Å; K433-D505 PolarHBondContact NZ-OD2 3.47Å
434D81.7Confident70.7Confident109 Ų10984.6 Ų84.658%0.58345%0.449SS*.EExtended strand (participates in β ladder)trans-92.8114.7168-66.9-30.2000108.4C456 K457D434-C456 CarbonylContact O-C 3.58Å; D434-C456 WeakPolarHBondContact O-CA 3.45Å; D434-K457 PolarHBondContact N-O 3.11Å; D434-K457 PolarHBondContact O-N 3.39Å
435C79.9Confident67.9Low57 Ų5792.7 Ų92.739%0.38549%0.491SS..EExtended strand (participates in β ladder)trans-109.2110.5178.2-56.10000108.5N437 C456C435-N437 PolarHBondContact O-N 3.48Å; C435-C456 HydrophobicContact CB-CB 4.09Å; C435-C456 WeakPolarHBondContact CB-SG 3.35Å; C435-C456 WeakPolarHBondContact SG-CB 3.5Å; C435-C456 CovalentContact SG-SG 2.03Å; C435-C456 PolarHBondContact SG-SG 2.93Å
436N67.4Low65.1Low114 Ų11498 Ų9861%0.6153%0.528SS*.  trans-76.6122.2169.1-73-2.2000108.6D438N436-D438 PolarHBondContact O-N 3.47Å
437N54.1Low62.1Low136 Ų136106.6 Ų106.673%0.72757%0.571SS**  trans-85.119.4172.2-76.5-19.1000112.5C435 L439C435-N437 PolarHBondContact O-N 3.48Å; N437-L439 PolarHBondContact O-N 2.95Å
438D45.4Very low59.4Low132 Ų132113.8 Ų113.871%0.70661%0.61SS**  trans-70.771.7179.6-67.5-27.2000110.6N436 T440N436-D438 PolarHBondContact O-N 3.47Å; D438-T440 PolarHBondContact O-N 3.29Å
439L43.9Very low56.7Low135 Ų135122.7 Ų122.771%0.70764%0.641SS**  trans-68.679.6152.7-68.7167.4000105.8N437 E441N437-L439 PolarHBondContact O-N 2.95Å; L439-E441 PolarHBondContact O-N 3.37Å
440T39.4Very low54.1Low111 Ų111125 Ų12568%0.68165%0.653SS**  trans-50.8118.2153.941.60000105.8D438 I442D438-T440 PolarHBondContact O-N 3.29Å; T440-I442 VanDerWaalsContact C-N 3.25Å; T440-I442 PolarHBondContact O-N 3.39Å
441E35.8Very low51.7Low191 Ų191132.3 Ų132.389%0.89369%0.686SS**  trans-46.492.9172.6-74176.2137.400108.7L439 S443L439-E441 PolarHBondContact O-N 3.37Å; E441-S443 PolarHBondContact O-N 3.43Å
442I38.4Very low49.4Very low133 Ų133135.8 Ų135.868%0.68271%0.71SS**  trans-71.793.2165.3-64.7174.7000103.2T440 L444T440-I442 VanDerWaalsContact C-N 3.25Å; T440-I442 PolarHBondContact O-N 3.39Å; I442-L444 PolarHBondContact O-N 3.22Å
443S35.9Very low47.6Very low94 Ų94137 Ų13766%0.65772%0.716SS**  trans-36.6106.5177.9560000111.3E441 L445E441-S443 PolarHBondContact O-N 3.43Å; S443-L445 PolarHBondContact O-N 3.47Å
444L34.1Very low45.9Very low170 Ų170135.9 Ų135.989%0.8972%0.717SS**SBendtrans11.267.1146.5-74.2155000116.9I442I442-L444 PolarHBondContact O-N 3.22Å
445L38.4Very low45.1Very low169 Ų169138.4 Ų138.489%0.88572%0.72SS**  trans-147.857160.5-78.8179.7000111.2S443S443-L445 PolarHBondContact O-N 3.47Å
446S38.3Very low45Very low111 Ų111137.6 Ų137.678%0.77671%0.714SS**  trans176111.1141.654.60000109.4N448S446-N448 PolarHBondContact O-N 3.12Å
447M34.5Very low45.7Very low182 Ų182136.3 Ų136.390%0.89770%0.704SS**  trans-57.8121.2164.6-72.7173.1175.600109.2
448N39.7Very low47.4Very low151 Ų151131.6 Ų131.681%0.80768%0.676SS**SBendtrans155.4113.8136.1-76.6-25.3000110.3S446S446-N448 PolarHBondContact O-N 3.12Å
449Y39Very low49.6Very low222 Ų222127.4 Ų127.487%0.87165%0.652SS**  trans61.164.4165.5-105.6-93.2000117K451Y449-K451 VanDerWaalsContact C-N 3.32Å; Y449-K451 PolarHBondContact O-N 3.15Å
450Q37.7Very low52Low168 Ų168121 Ų12179%0.78562%0.618SS**  trans-71.987.8160.3-79.3177.1-31.100109.5S452Q450-S452 PolarHBondContact O-N 3.37Å; Q450-S452 VanDerWaalsContact O-N 3.09Å
451K40Very low54.5Low178 Ų178118.3 Ų118.377%0.77460%0.6SS**  trans-61.4108.6152.7-103.6179.4176.4177.10105.4Y449 I453Y449-K451 VanDerWaalsContact C-N 3.32Å; Y449-K451 PolarHBondContact O-N 3.15Å; K451-I453 VanDerWaalsContact C-N 3.32Å; K451-I453 PolarHBondContact O-N 3.41Å
452S42.1Very low57.3Low86 Ų86109.2 Ų109.260%0.60156%0.557SS**  trans-58.696169.454.80000108.3Q450 S454Q450-S452 PolarHBondContact O-N 3.37Å; Q450-S452 VanDerWaalsContact O-N 3.09Å; S452-S454 PolarHBondContact O-N 3.12Å
453I47.9Very low59.8Low149 Ų149105 Ų10576%0.76454%0.542SS*.  trans-75.786.2173.3-59.1172.2000105.9K451 Y455K451-I453 VanDerWaalsContact C-N 3.32Å; K451-I453 PolarHBondContact O-N 3.41Å; I453-Y455 PolarHBondContact O-N 3.48Å; I453-Y455 VanDerWaalsContact O-N 3.08Å
454S50.2Low62.4Low55 Ų55101.2 Ų101.239%0.38552%0.516SS..  trans-59.6108.9166.2169.40000107.9S452 C456S452-S454 PolarHBondContact O-N 3.12Å; S454-C456 VanDerWaalsContact C-N 3.31Å; S454-C456 PolarHBondContact O-N 3.26Å; S454-C456 PolarHBondContact OG-SG 3.33Å
455Y65.9Low65.1Low162 Ų16293.1 Ų93.164%0.63547%0.474SS*.  trans-80.684.1177.3-159.4-70.8000108.6I453 K457I453-Y455 PolarHBondContact O-N 3.48Å; I453-Y455 VanDerWaalsContact O-N 3.08Å; Y455-K457 HydrophobicContact CD1-CD 4.21Å; Y455-K457 HydrophobicContact CD1-CG 3.7Å; Y455-K457 HydrophobicContact CE1-CD 3.79Å; Y455-K457 HydrophobicContact CE1-CG 3.39Å
456C76.5Confident67.4Low40 Ų4085.5 Ų85.527%0.2743%0.434SS..EExtended strand (participates in β ladder)trans-81.1123.6174.5-60.10000110K433 D434 C435 S454K433-C456 HydrophobicContact CB-CB 4.16Å; K433-C456 HydrophobicContact CD-CB 3.91Å; D434-C456 CarbonylContact O-C 3.58Å; D434-C456 WeakPolarHBondContact O-CA 3.45Å; C435-C456 HydrophobicContact CB-CB 4.09Å; C435-C456 WeakPolarHBondContact CB-SG 3.35Å; C435-C456 WeakPolarHBondContact SG-CB 3.5Å; C435-C456 CovalentContact SG-SG 2.03Å; C435-C456 PolarHBondContact SG-SG 2.93Å; S454-C456 VanDerWaalsContact C-N 3.31Å; S454-C456 PolarHBondContact O-N 3.26Å; S454-C456 PolarHBondContact OG-SG 3.33Å
457K82Confident69.7Low88 Ų8880.3 Ų80.338%0.38340%0.398SS..EExtended strand (participates in β ladder)trans-108.6142.2170.6-71.6-178.2-176.4176.50109.9D434 Y455 Q459D434-K457 PolarHBondContact N-O 3.11Å; D434-K457 PolarHBondContact O-N 3.39Å; Y455-K457 HydrophobicContact CD1-CD 4.21Å; Y455-K457 HydrophobicContact CD1-CG 3.7Å; Y455-K457 HydrophobicContact CE1-CD 3.79Å; Y455-K457 HydrophobicContact CE1-CG 3.39Å; K457-Q459 HydrophobicContact CB-CG 4.18Å
458R91Very high72Confident37 Ų3774.4 Ų74.414%0.1437%0.368CS..  trans-105.2114.1164.8-170.9177.2-82153.3-13.9108.3W430 P431 K433 L503 P504 D505W430-R458 VanDerWaalsContact CD1-NH1 3.3Å; W430-R458 VanDerWaalsContact NE1-CZ 3.33Å; P431-R458 HydrophobicContact CB-CG 4.27Å; P431-R458 WeakPolarHBondContact O-CD 3.4Å; P431-R458 PolarHBondContact O-NE 2.84Å; P431-R458 PolarHBondContact O-NH2 3.13Å; K433-R458 HydrophobicContact CG-CB 4.31Å; R458-L503 HydrophobicContact CB-CB 4.28Å; R458-L503 HydrophobicContact CG-CB 3.9Å; R458-L503 HydrophobicContact CG-CD1 4.19Å; R458-L503 PolarHBondContact O-N 2.87Å; R458-P504 PolarHBondContact NH1-O 3.49Å; R458-P504 VanDerWaalsContact NH1-O 3.16Å; R458-D505 PolarHBondContact NH1-O 3.16Å; R458-D505 VanDerWaalsContact NH1-O 3.13Å
459Q91.9Very high73.7Confident43 Ų4370 Ų7020%0.20135%0.348CS..EExtended strand (participates in β ladder)trans-127.6150-177.8-67.4-174.1-3900110.5K457 I500 I501 N502K457-Q459 HydrophobicContact CB-CG 4.18Å; Q459-I500 HydrophobicContact CB-CG2 3.84Å; Q459-I500 HydrophobicContact CG-CG2 4.01Å; Q459-I501 CarbonylContact C-O 3.6Å; Q459-I501 VanDerWaalsContact CA-O 3.29Å; Q459-I501 WeakPolarHBondContact CA-O 3.39Å; Q459-N502 PolarHBondContact NE2-OD1 3Å
460L93.3Very high75.6Confident0 Ų067.3 Ų67.30%035%0.348CS..EExtended strand (participates in β ladder)trans-121.9117.6175-174.972.6000109Y382 F384 V385 L427 P431 L462 I500 I501 L503 I521Y382-L460 HydrophobicContact CD2-CD1 3.96Å; Y382-L460 HydrophobicContact CE2-CD1 3.58Å; Y382-L460 HydrophobicContact CE2-CG 4.29Å; F384-L460 HydrophobicContact CE2-CD1 4.11Å; F384-L460 HydrophobicContact CZ-CD1 4.47Å; V385-L460 HydrophobicContact CG2-CD1 4.06Å; L427-L460 HydrophobicContact CD1-CD2 4.23Å; L427-L460 HydrophobicContact CD2-CD2 4.04Å; L427-L460 HydrophobicContact CG-CD2 4.44Å; P431-L460 HydrophobicContact CG-CD1 3.88Å; L460-L462 HydrophobicContact CD1-CD2 4.2Å; L460-L462 HydrophobicContact CD2-CD1 4.05Å; L460-L462 HydrophobicContact CD2-CD2 3.66Å; L460-L462 HydrophobicContact CD2-CG 3.97Å; L460-L462 HydrophobicContact CG-CD2 3.59Å; L460-L462 HydrophobicContact CG-CG 4Å; L460-I500 WeakPolarHBondContact O-CA 3.44Å; L460-I501 HydrophobicContact CB-CB 4.45Å; L460-I501 PolarHBondContact N-O 3.45Å; L460-I501 PolarHBondContact O-N 2.83Å; L460-L503 HydrophobicContact CB-CD1 4.02Å; L460-L503 HydrophobicContact CB-CG 4.3Å; L460-I521 HydrophobicContact CD2-CD1 4.01Å
461N92.7Very high77.8Confident55 Ų5563.9 Ų63.929%0.29434%0.335SS..EExtended strand (participates in β ladder)trans-98.796.8-175.8-61.1-19.4000110.3Y382 I500Y382-N461 WeakPolarHBondContact CE2-O 3.16Å; Y382-N461 PolarHBondContact OH-N 2.89Å; N461-I500 WeakPolarHBondContact OD1-CG2 3.33Å
462L93.7Very high80.3Confident0 Ų055.7 Ų55.70%030%0.3CS..EExtended strand (participates in β ladder)trans-97.998.6-178.7-54.8-176.1000109.5E379 Y382 V385 Y387 L460 S464 I465 G498 V499 I501 M523E379-L462 HydrophobicContact CG-CD2 4.18Å; Y382-L462 HydrophobicContact CD2-CD2 4.4Å; Y382-L462 HydrophobicContact CE2-CD2 4.43Å; V385-L462 HydrophobicContact CG1-CD2 4.04Å; Y387-L462 WeakPolarHBondContact OH-CD2 3.17Å; L460-L462 HydrophobicContact CD1-CD2 4.2Å; L460-L462 HydrophobicContact CD2-CD1 4.05Å; L460-L462 HydrophobicContact CD2-CD2 3.66Å; L460-L462 HydrophobicContact CD2-CG 3.97Å; L460-L462 HydrophobicContact CG-CD2 3.59Å; L460-L462 HydrophobicContact CG-CG 4Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-I465 HydrophobicContact CB-CB 4.21Å; L462-I465 HydrophobicContact CB-CG1 3.91Å; L462-I465 HydrophobicContact CD1-CG1 4.14Å; L462-G498 VanDerWaalsContact O-CA 3.3Å; L462-G498 WeakPolarHBondContact O-CA 3.47Å; L462-V499 HydrophobicContact CB-CG1 3.89Å; L462-V499 HydrophobicContact CD1-CG1 4.48Å; L462-V499 HydrophobicContact CG-CG1 4.5Å; L462-V499 PolarHBondContact N-O 2.9Å; L462-V499 PolarHBondContact O-N 2.83Å; L462-I501 HydrophobicContact CD1-CD1 3.73Å; L462-I501 HydrophobicContact CG-CD1 4.47Å; L462-M523 HydrophobicContact CD1-SD 4.17Å
463A91.3Very high82.7Confident45 Ų4556.5 Ų56.537%0.37230%0.295SS..EExtended strand (participates in β ladder)trans-74.6-25.5-178.100000112.3E379 I465E379-A463 PolarHBondContact OE1-N 2.87Å; A463-I465 VanDerWaalsContact C-N 3.26Å; A463-I465 PolarHBondContact O-N 2.89Å
464S90.1Very high85Confident15 Ų1549.4 Ų49.411%0.10526%0.258CS..EExtended strand (participates in β ladder)trans-74.2-14.4179.9-54.30000114.5W374 E379 P380 L462W374-S464 WeakPolarHBondContact CH2-O 3.48Å; E379-S464 PolarHBondContact OE1-N 3.5Å; E379-S464 WeakPolarHBondContact OE2-CB 3.3Å; E379-S464 PolarHBondContact OE2-N 3.29Å; E379-S464 PolarHBondContact OE2-OG 2.87Å; P380-S464 WeakPolarHBondContact CD-OG 3.34Å; L462-S464 VanDerWaalsContact C-N 3.32Å
465I90.4Very high87.1Confident0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-101.4126.2-172.1-61-68.1000109.9W374 Y387 V423 L462 A463 F474 G498 V499 M523 V526W374-I465 HydrophobicContact CH2-CD1 3.52Å; W374-I465 HydrophobicContact CZ2-CD1 4.12Å; W374-I465 HydrophobicContact CZ3-CD1 3.92Å; Y387-I465 HydrophobicContact CE1-CD1 4.1Å; Y387-I465 HydrophobicContact CE1-CG1 4.36Å; V423-I465 HydrophobicContact CG1-CD1 4.48Å; L462-I465 HydrophobicContact CB-CB 4.21Å; L462-I465 HydrophobicContact CB-CG1 3.91Å; L462-I465 HydrophobicContact CD1-CG1 4.14Å; A463-I465 VanDerWaalsContact C-N 3.26Å; A463-I465 PolarHBondContact O-N 2.89Å; I465-F474 HydrophobicContact CG2-CE1 4.21Å; I465-F474 HydrophobicContact CG2-CZ 4.24Å; I465-G498 CarbonylContact O-C 3.44Å; I465-G498 WeakPolarHBondContact O-CA 3.29Å; I465-G498 PolarHBondContact O-N 3.08Å; I465-V499 HydrophobicContact CB-CG1 3.88Å; I465-V499 HydrophobicContact CG2-CG1 3.78Å; I465-M523 HydrophobicContact CD1-CE 3.58Å; I465-M523 HydrophobicContact CD1-SD 4.07Å; I465-M523 HydrophobicContact CG1-CE 4.26Å; I465-M523 HydrophobicContact CG1-SD 4.21Å; I465-M523 HydrophobicContact CG2-SD 4.5Å; I465-V526 HydrophobicContact CG2-CB 4.04Å; I465-V526 HydrophobicContact CG2-CG1 3.96Å
466S88.1Confident88.6Confident9 Ų939.3 Ų39.36%0.06321%0.211CC..EExtended strand (participates in β ladder)trans-111145.7170.9-620000110.6M496 N497 V526 F527S466-M496 WeakPolarHBondContact CA-O 3.39Å; S466-M496 WeakPolarHBondContact CB-O 3.44Å; S466-N497 WeakPolarHBondContact OG-CA 3.45Å; S466-N497 PolarHBondContact OG-OD1 2.91Å; S466-V526 WeakPolarHBondContact O-CA 3.24Å; S466-F527 VanDerWaalsContact CB-CD2 3.44Å; S466-F527 VanDerWaalsContact CB-CZ 3.49Å; S466-F527 PolarHBondContact N-O 2.76Å; S466-F527 PolarHBondContact O-N 3.28Å
467V85.3Confident89.5Confident1 Ų137.9 Ų37.91%0.00620%0.2CC..BIsolated β-bridgetrans-114.5151.3-171.4-62.70000112.2S472 F474 Y488 I490 M496 V499 V526V467-S472 WeakPolarHBondContact CA-OG 3.49Å; V467-S472 WeakPolarHBondContact CB-OG 3.11Å; V467-F474 HydrophobicContact CG1-CE2 3.92Å; V467-F474 HydrophobicContact CG1-CZ 3.64Å; V467-Y488 HydrophobicContact CB-CE2 4.31Å; V467-Y488 HydrophobicContact CG1-CE2 4.15Å; V467-Y488 HydrophobicContact CG2-CE2 4.18Å; V467-I490 HydrophobicContact CG2-CD1 3.68Å; V467-I490 HydrophobicContact CG2-CG1 3.75Å; V467-I490 HydrophobicContact CG2-CG2 4.3Å; V467-M496 PolarHBondContact N-O 3.02Å; V467-V499 HydrophobicContact CG1-CB 4.21Å; V467-V499 HydrophobicContact CG1-CG2 4.25Å; V467-V526 HydrophobicContact CG1-CG1 4.49Å
468Q83.5Confident90Very high58 Ų5834.5 Ų34.527%0.27119%0.187SC..  trans-95.5112.5164.4-65.8-173.91.900108.6N470 L471 S472 F527Q468-N470 PolarHBondContact O-N 2.97Å; Q468-L471 HydrophobicContact CB-CB 4.03Å; Q468-L471 HydrophobicContact CB-CD1 4.39Å; Q468-L471 PolarHBondContact O-N 3.45Å; Q468-S472 PolarHBondContact N-OG 3.31Å; Q468-S472 PolarHBondContact O-N 3.35Å; Q468-S472 PolarHBondContact O-OG 3.02Å; Q468-F527 HydrophobicContact CG-CD1 4.08Å; Q468-F527 HydrophobicContact CG-CE1 3.78Å
469P74.7Confident89.9Confident59 Ų5934.9 Ų34.938%0.38320%0.202SC..THydrogen-bonded Turntrans-52.4135.3-179.9-26.434000111.8L471 I490 M496P469-L471 PolarHBondContact O-N 3.01Å; P469-L471 VanDerWaalsContact O-N 3.14Å; P469-I490 HydrophobicContact CG-CD1 4.4Å; P469-M496 HydrophobicContact CG-CE 3.69Å; P469-M496 HydrophobicContact CG-CG 4.43Å; P469-M496 HydrophobicContact CG-SD 3.81Å
470N78.5Confident89.8Confident165 Ų16534.2 Ų34.288%0.88220%0.202SC*.THydrogen-bonded Turntrans67.1-3.2-178.5-49-41.2000116.5Q468Q468-N470 PolarHBondContact O-N 2.97Å
471L85.9Confident89.4Confident97 Ų9742.6 Ų42.651%0.50825%0.246SC..THydrogen-bonded Turntrans-115.6-35.3179.7-65.1176.8000113Q468 P469 Q473 N525Q468-L471 HydrophobicContact CB-CB 4.03Å; Q468-L471 HydrophobicContact CB-CD1 4.39Å; Q468-L471 PolarHBondContact O-N 3.45Å; P469-L471 PolarHBondContact O-N 3.01Å; P469-L471 VanDerWaalsContact O-N 3.14Å; L471-Q473 PolarHBondContact O-N 3.06Å; L471-N525 HydrophobicContact CB-CB 4.13Å; L471-N525 PolarHBondContact O-ND2 3.3Å
472S90.7Very high89.1Confident6 Ų644.9 Ų44.94%0.04226%0.262CS..  trans-66.5134.4-179.2-55.30000111.9V467 Q468 Y488 T524 N525V467-S472 WeakPolarHBondContact CA-OG 3.49Å; V467-S472 WeakPolarHBondContact CB-OG 3.11Å; Q468-S472 PolarHBondContact N-OG 3.31Å; Q468-S472 PolarHBondContact O-N 3.35Å; Q468-S472 PolarHBondContact O-OG 3.02Å; S472-Y488 WeakPolarHBondContact O-CE1 3.05Å; S472-Y488 PolarHBondContact O-OH 3.41Å; S472-T524 VanDerWaalsContact CA-O 3.3Å; S472-T524 WeakPolarHBondContact CA-O 3.42Å; S472-N525 PolarHBondContact OG-O 2.97Å
473Q93.1Very high89Confident103 Ų10345.4 Ų45.448%0.48127%0.268SS..EExtended strand (participates in β ladder)trans-125.7143.7174.9-59.9179.8-2300110L471 M523 T524L471-Q473 PolarHBondContact O-N 3.06Å; Q473-M523 WeakPolarHBondContact O-CA 3.35Å; Q473-T524 WeakPolarHBondContact CB-OG1 3.37Å; Q473-T524 PolarHBondContact N-O 2.85Å; Q473-T524 PolarHBondContact O-N 3.47Å
474F95.4Very high89.1Confident0 Ų045.9 Ų45.90%026%0.263CS..EExtended strand (participates in β ladder)trans-125.7123.7178.3-62.9-95.1000107.7I465 V467 Q485 L486 Y488 V499 I501 I521 R522 M523 V526I465-F474 HydrophobicContact CG2-CE1 4.21Å; I465-F474 HydrophobicContact CG2-CZ 4.24Å; V467-F474 HydrophobicContact CG1-CE2 3.92Å; V467-F474 HydrophobicContact CG1-CZ 3.64Å; F474-Q485 PolarHBondContact O-OE1 2.88Å; F474-L486 HydrophobicContact CB-CB 4.11Å; F474-L486 PolarHBondContact O-N 3.32Å; F474-Y488 AromaticContact CD2-CD1 3.34Å; F474-Y488 HydrophobicContact CD2-CD1 3.34Å; F474-Y488 AromaticContact CD2-CE1 3.79Å; F474-Y488 HydrophobicContact CD2-CE1 3.79Å; F474-Y488 AromaticContact CD2-CG 3.74Å; F474-Y488 HydrophobicContact CD2-CG 3.74Å; F474-Y488 AromaticContact CE2-CD1 3.57Å; F474-Y488 HydrophobicContact CE2-CD1 3.57Å; F474-Y488 AromaticContact CE2-CD2 3.95Å; F474-Y488 HydrophobicContact CE2-CD2 3.95Å; F474-Y488 AromaticContact CE2-CE1 3.8Å; F474-Y488 HydrophobicContact CE2-CE1 3.8Å; F474-Y488 HydrophobicContact CE2-CE2 4.18Å; F474-Y488 AromaticContact CE2-CG 3.63Å; F474-Y488 HydrophobicContact CE2-CG 3.63Å; F474-V499 HydrophobicContact CE1-CG1 4.02Å; F474-V499 HydrophobicContact CE1-CG2 4.43Å; F474-V499 HydrophobicContact CE2-CG2 4.12Å; F474-V499 HydrophobicContact CZ-CB 4.29Å; F474-V499 HydrophobicContact CZ-CG1 3.99Å; F474-V499 HydrophobicContact CZ-CG2 3.84Å; F474-I501 HydrophobicContact CD1-CD1 3.34Å; F474-I501 HydrophobicContact CD1-CG1 4.01Å; F474-I501 HydrophobicContact CE1-CD1 3.73Å; F474-I501 HydrophobicContact CE1-CG1 4.29Å; F474-I501 HydrophobicContact CG-CD1 4.09Å; F474-I501 HydrophobicContact CG-CG1 4.38Å; F474-I521 HydrophobicContact CB-CG2 4.3Å; F474-I521 HydrophobicContact CD1-CG2 4.45Å; F474-R522 WeakPolarHBondContact CA-O 3.43Å; F474-M523 HydrophobicContact CD1-CB 4.17Å; F474-M523 HydrophobicContact CD1-CG 3.56Å; F474-M523 HydrophobicContact CD1-SD 3.83Å; F474-M523 HydrophobicContact CE1-CB 4.18Å; F474-M523 HydrophobicContact CE1-CG 3.79Å; F474-M523 HydrophobicContact CE1-SD 3.6Å; F474-V526 HydrophobicContact CE1-CG1 4.15Å; F474-V526 HydrophobicContact CZ-CG1 3.82Å
475T96Very high89.3Confident5 Ų550.4 Ų50.43%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-133.7121.7-173.6-54.20000109T482 I484 Q485 I521 R522T475-T482 WeakPolarHBondContact CG2-O 3.33Å; T475-I484 CarbonylContact C-O 3.47Å; T475-I484 WeakPolarHBondContact CA-O 3.3Å; T475-Q485 PolarHBondContact OG1-OE1 2.92Å; T475-I521 CarbonylContact O-C 3.46Å; T475-I521 WeakPolarHBondContact O-CA 3.45Å; T475-R522 PolarHBondContact N-O 3.09Å; T475-R522 PolarHBondContact O-N 3.14Å
476L96.2Very high89.5Confident0 Ų050.9 Ų50.90%029%0.285CS..EExtended strand (participates in β ladder)trans-76.5128.1169.4-178.266.1000109.4W430 D478 G483 I484 L486 P504 I507 W519 I521W430-L476 HydrophobicContact CH2-CD1 3.97Å; W430-L476 HydrophobicContact CH2-CD2 3.76Å; W430-L476 HydrophobicContact CZ3-CD1 4.09Å; L476-D478 PolarHBondContact O-N 3.12Å; L476-G483 CarbonylContact O-C 3.57Å; L476-G483 WeakPolarHBondContact O-CA 3.49Å; L476-I484 HydrophobicContact CB-CB 4.27Å; L476-I484 HydrophobicContact CD2-CD1 4.43Å; L476-I484 PolarHBondContact N-O 3.05Å; L476-I484 PolarHBondContact O-N 3.33Å; L476-L486 HydrophobicContact CB-CD1 4.08Å; L476-L486 HydrophobicContact CB-CD2 4.13Å; L476-L486 HydrophobicContact CB-CG 4.23Å; L476-P504 HydrophobicContact CD2-CG 4Å; L476-I507 HydrophobicContact CD2-CG2 3.84Å; L476-W519 HydrophobicContact CD1-CB 4.05Å; L476-I521 HydrophobicContact CD1-CG1 4.08Å
477L95.1Very high89.8Confident9 Ų953.9 Ų53.95%0.04731%0.306CS..  trans-74.4125.7175.7-57.3-173.4000110.2I363 E366 T520 R522I363-L477 HydrophobicContact CG2-CB 4.15Å; I363-L477 WeakPolarHBondContact CG2-O 3.34Å; E366-L477 HydrophobicContact CB-CD1 4.16Å; L477-T520 HydrophobicContact CD1-CG2 3.87Å; L477-T520 HydrophobicContact CG-CG2 4.44Å; L477-T520 WeakPolarHBondContact CG-O 3.25Å; L477-T520 PolarHBondContact N-O 2.93Å; L477-R522 HydrophobicContact CD2-CB 4.04Å
478D92.9Very high90.2Very high17 Ų1756.8 Ų56.89%0.09132%0.317CS..  trans-127.33.7-178.768.4-11.7000113.2L476 S480 G483 I484 N509 D510L476-D478 PolarHBondContact O-N 3.12Å; D478-S480 VanDerWaalsContact OD1-CB 3.24Å; D478-S480 WeakPolarHBondContact OD1-CB 3.4Å; D478-S480 PolarHBondContact OD1-N 2.91Å; D478-S480 PolarHBondContact OD1-OG 2.99Å; D478-S480 PolarHBondContact OD2-OG 3.24Å; D478-G483 WeakPolarHBondContact OD1-CA 3.45Å; D478-I484 HydrophobicContact CB-CD1 4.12Å; D478-I484 HydrophobicContact CB-CG1 4.13Å; D478-I484 WeakPolarHBondContact OD2-CG1 3.5Å; D478-N509 CarbonylContact O-C 3.55Å; D478-N509 WeakPolarHBondContact O-CA 3.43Å; D478-N509 VanDerWaalsContact O-CB 3.3Å; D478-N509 WeakPolarHBondContact O-CB 3.4Å; D478-D510 PolarHBondContact O-N 2.83Å
479G88.3Confident90.5Very high45 Ų4559 Ų5946%0.46433%0.328SS..SBendtrans92.2-11.1-176.600000114.1
480S89.8Confident91.2Very high30 Ų3058 Ų5821%0.2132%0.319CS..SBendtrans-76.4162.5170.976.50000111D478 T482 G483D478-S480 VanDerWaalsContact OD1-CB 3.24Å; D478-S480 WeakPolarHBondContact OD1-CB 3.4Å; D478-S480 PolarHBondContact OD1-N 2.91Å; D478-S480 PolarHBondContact OD1-OG 2.99Å; D478-S480 PolarHBondContact OD2-OG 3.24Å; S480-T482 VanDerWaalsContact C-N 3.26Å; S480-T482 PolarHBondContact O-N 3.3Å; S480-G483 WeakPolarHBondContact OG-CA 3.44Å; S480-G483 PolarHBondContact OG-N 3.45Å
481L85.1Confident91.6Very high176 Ų17654.4 Ų54.492%0.92130%0.298SS*.SBendtrans-60.9-35178.3-78.1160.2000113
482T87.6Confident91.3Very high103 Ų10353 Ų5363%0.63229%0.291SS*.SBendtrans-96.6-28.5-174.551.40000113.4T475 S480 R522T475-T482 WeakPolarHBondContact CG2-O 3.33Å; S480-T482 VanDerWaalsContact C-N 3.26Å; S480-T482 PolarHBondContact O-N 3.3Å; T482-R522 PolarHBondContact O-NH2 2.85Å
483G91.8Very high90.6Very high11 Ų1160.7 Ų60.711%0.11332%0.324CS..  trans69.9179.4-166.400000113.7L476 D478 S480L476-G483 CarbonylContact O-C 3.57Å; L476-G483 WeakPolarHBondContact O-CA 3.49Å; D478-G483 WeakPolarHBondContact OD1-CA 3.45Å; S480-G483 WeakPolarHBondContact OG-CA 3.44Å; S480-G483 PolarHBondContact OG-N 3.45Å
484I92.6Very high89.7Confident55 Ų5562.2 Ų62.228%0.28234%0.34SS..EExtended strand (participates in β ladder)trans-89.9115.7176.1-56.6171.8000108.6T475 L476 D478 L486T475-I484 CarbonylContact C-O 3.47Å; T475-I484 WeakPolarHBondContact CA-O 3.3Å; L476-I484 HydrophobicContact CB-CB 4.27Å; L476-I484 HydrophobicContact CD2-CD1 4.43Å; L476-I484 PolarHBondContact N-O 3.05Å; L476-I484 PolarHBondContact O-N 3.33Å; D478-I484 HydrophobicContact CB-CD1 4.12Å; D478-I484 HydrophobicContact CB-CG1 4.13Å; D478-I484 WeakPolarHBondContact OD2-CG1 3.5Å; I484-L486 HydrophobicContact CG2-CD2 4.45Å; I484-L486 PolarHBondContact O-N 3.1Å
485Q94.6Very high88.5Confident109 Ų10965.4 Ų65.451%0.50936%0.36SS..EExtended strand (participates in β ladder)trans-69.2126.6178-167.166.16.200111F474 T475F474-Q485 PolarHBondContact O-OE1 2.88Å; T475-Q485 PolarHBondContact OG1-OE1 2.92Å
486L95.1Very high87.3Confident10 Ų1068 Ų685%0.05237%0.372CS..EExtended strand (participates in β ladder)trans-100.7139-180-54.9178.4000110.5F474 L476 I484 I501 L503 I521F474-L486 HydrophobicContact CB-CB 4.11Å; F474-L486 PolarHBondContact O-N 3.32Å; L476-L486 HydrophobicContact CB-CD1 4.08Å; L476-L486 HydrophobicContact CB-CD2 4.13Å; L476-L486 HydrophobicContact CB-CG 4.23Å; I484-L486 HydrophobicContact CG2-CD2 4.45Å; I484-L486 PolarHBondContact O-N 3.1Å; L486-I501 HydrophobicContact CB-CG2 3.75Å; L486-I501 HydrophobicContact CD1-CG2 3.6Å; L486-I501 HydrophobicContact CG-CG2 4.3Å; L486-L503 HydrophobicContact CD1-CD2 4.03Å; L486-I521 HydrophobicContact CD1-CD1 3.91Å; L486-I521 HydrophobicContact CD1-CG1 4.07Å; L486-I521 HydrophobicContact CD1-CG2 3.99Å
487S93.5Very high86.5Confident72 Ų7271.5 Ų71.550%0.50339%0.391SS..PPolyproline II helixtrans-84.9148.5171.3620000110.3N502S487-N502 PolarHBondContact O-N 3Å; S487-N502 WeakPolarHBondContact OG-CB 3.36Å; S487-N502 PolarHBondContact OG-ND2 3.25Å
488Y93.1Very high86.1Confident62 Ų6271.2 Ų71.224%0.24339%0.39CS..EExtended strand (participates in β ladder)trans-140.2162.1-178.673-87.8000113.1V467 S472 F474 I490 V499 I500V467-Y488 HydrophobicContact CB-CE2 4.31Å; V467-Y488 HydrophobicContact CG1-CE2 4.15Å; V467-Y488 HydrophobicContact CG2-CE2 4.18Å; S472-Y488 WeakPolarHBondContact O-CE1 3.05Å; S472-Y488 PolarHBondContact O-OH 3.41Å; F474-Y488 AromaticContact CD2-CD1 3.34Å; F474-Y488 HydrophobicContact CD2-CD1 3.34Å; F474-Y488 AromaticContact CD2-CE1 3.79Å; F474-Y488 HydrophobicContact CD2-CE1 3.79Å; F474-Y488 AromaticContact CD2-CG 3.74Å; F474-Y488 HydrophobicContact CD2-CG 3.74Å; F474-Y488 AromaticContact CE2-CD1 3.57Å; F474-Y488 HydrophobicContact CE2-CD1 3.57Å; F474-Y488 AromaticContact CE2-CD2 3.95Å; F474-Y488 HydrophobicContact CE2-CD2 3.95Å; F474-Y488 AromaticContact CE2-CE1 3.8Å; F474-Y488 HydrophobicContact CE2-CE1 3.8Å; F474-Y488 HydrophobicContact CE2-CE2 4.18Å; F474-Y488 AromaticContact CE2-CG 3.63Å; F474-Y488 HydrophobicContact CE2-CG 3.63Å; Y488-I490 HydrophobicContact CE2-CG1 4.4Å; Y488-V499 HydrophobicContact CD2-CG2 3.6Å; Y488-V499 HydrophobicContact CG-CG2 3.9Å; Y488-I500 CarbonylContact C-O 3.59Å; Y488-I500 WeakPolarHBondContact CA-O 3.37Å
489Q91.2Very high86.1Confident104 Ų10470.4 Ų70.449%0.48639%0.385SS..EExtended strand (participates in β ladder)trans-130.9146.4173.4-60.4-179.9-27.500109.8V499 I500Q489-V499 WeakPolarHBondContact O-CA 3.17Å; Q489-I500 HydrophobicContact CB-CB 4.36Å; Q489-I500 PolarHBondContact N-O 3.24Å; Q489-I500 PolarHBondContact O-N 2.98Å
490I88.8Confident86.3Confident39 Ų3969.9 Ų69.920%0.237%0.372CS..EExtended strand (participates in β ladder)trans-84.7127.2178.8-47.5-174.6000108.7V467 P469 Y488 N492 K493 M496V467-I490 HydrophobicContact CG2-CD1 3.68Å; V467-I490 HydrophobicContact CG2-CG1 3.75Å; V467-I490 HydrophobicContact CG2-CG2 4.3Å; P469-I490 HydrophobicContact CG-CD1 4.4Å; Y488-I490 HydrophobicContact CE2-CG1 4.4Å; I490-N492 WeakPolarHBondContact CG2-O 3.28Å; I490-K493 HydrophobicContact CB-CG 4.47Å; I490-M496 HydrophobicContact CD1-SD 3.57Å; I490-M496 VanDerWaalsContact CD1-SD 3.57Å; I490-M496 HydrophobicContact CG2-SD 4.13Å
491M86.2Confident86.5Confident90 Ų9068.4 Ų68.444%0.44336%0.362SS..EExtended strand (participates in β ladder)trans-69-55.4179.2-67175.970.400111G498 I500M491-G498 PolarHBondContact N-O 3.47Å; M491-I500 HydrophobicContact CG-CD1 4.08Å; M491-I500 HydrophobicContact CG-CG1 3.53Å; M491-I500 HydrophobicContact SD-CG1 4.34Å
492N81.1Confident86.9Confident68 Ų6862 Ų6236%0.36433%0.328SS..EExtended strand (participates in β ladder)trans-110.2101.9175.1-173.3-25.9000110.4I490 T494 T495 M496 N497I490-N492 WeakPolarHBondContact CG2-O 3.28Å; N492-T494 PolarHBondContact O-N 3.07Å; N492-T494 WeakPolarHBondContact OD1-CA 3.31Å; N492-T494 WeakPolarHBondContact OD1-CB 3.3Å; N492-T494 PolarHBondContact OD1-N 2.7Å; N492-T495 WeakPolarHBondContact CB-OG1 3.48Å; N492-T495 PolarHBondContact ND2-OG1 3.37Å; N492-T495 PolarHBondContact OD1-N 3.46Å; N492-T495 VanDerWaalsContact OD1-N 3.13Å; N492-M496 WeakPolarHBondContact O-CA 3.32Å; N492-M496 PolarHBondContact O-N 3.28Å; N492-N497 WeakPolarHBondContact CB-O 3.36Å; N492-N497 PolarHBondContact N-O 3.31Å; N492-N497 PolarHBondContact O-N 2.03Å
493K76.3Confident87.2Confident167 Ų16757.7 Ų57.773%0.72630%0.301SS*.THydrogen-bonded Turntrans-66.6-19.3179.6-66.9-176.3179.5179.50114I490 M496I490-K493 HydrophobicContact CB-CG 4.47Å; K493-M496 WeakPolarHBondContact O-CE 3.48Å
494T72.3Confident87.1Confident134 Ų13458.7 Ų58.782%0.82231%0.306SS*.THydrogen-bonded Turntrans-81.1-44.9-179.7-51.70000111.2N492N492-T494 PolarHBondContact O-N 3.07Å; N492-T494 WeakPolarHBondContact OD1-CA 3.31Å; N492-T494 WeakPolarHBondContact OD1-CB 3.3Å; N492-T494 PolarHBondContact OD1-N 2.7Å
495T71.1Confident86.6Confident67 Ų6760.4 Ų60.441%0.41132%0.316SS..THydrogen-bonded Turntrans-95.5-918064.10000113.3N492 N497N492-T495 WeakPolarHBondContact CB-OG1 3.48Å; N492-T495 PolarHBondContact ND2-OG1 3.37Å; N492-T495 PolarHBondContact OD1-N 3.46Å; N492-T495 VanDerWaalsContact OD1-N 3.13Å; T495-N497 PolarHBondContact O-N 2.73Å; T495-N497 PolarHBondContact O-OD1 3.18Å; T495-N497 WeakPolarHBondContact OG1-CB 3.43Å; T495-N497 PolarHBondContact OG1-N 2.81Å; T495-N497 PolarHBondContact OG1-ND2 2.79Å
496M70.7Confident85.7Confident60 Ų6061.7 Ų61.730%0.29633%0.325SS..THydrogen-bonded Turntrans56.721.4-169-56.5-62.4179.600113.8S466 V467 P469 I490 N492 K493S466-M496 WeakPolarHBondContact CA-O 3.39Å; S466-M496 WeakPolarHBondContact CB-O 3.44Å; V467-M496 PolarHBondContact N-O 3.02Å; P469-M496 HydrophobicContact CG-CE 3.69Å; P469-M496 HydrophobicContact CG-CG 4.43Å; P469-M496 HydrophobicContact CG-SD 3.81Å; I490-M496 HydrophobicContact CD1-SD 3.57Å; I490-M496 VanDerWaalsContact CD1-SD 3.57Å; I490-M496 HydrophobicContact CG2-SD 4.13Å; N492-M496 WeakPolarHBondContact O-CA 3.32Å; N492-M496 PolarHBondContact O-N 3.28Å; K493-M496 WeakPolarHBondContact O-CE 3.48Å
497N79.2Confident84.9Confident74 Ų7462 Ų6240%0.39633%0.327SS..EExtended strand (participates in β ladder)trans-90.6140.3179.4-64-16.2000111S466 N492 T495S466-N497 WeakPolarHBondContact OG-CA 3.45Å; S466-N497 PolarHBondContact OG-OD1 2.91Å; N492-N497 WeakPolarHBondContact CB-O 3.36Å; N492-N497 PolarHBondContact N-O 3.31Å; N492-N497 PolarHBondContact O-N 2.03Å; T495-N497 PolarHBondContact O-N 2.73Å; T495-N497 PolarHBondContact O-OD1 3.18Å; T495-N497 WeakPolarHBondContact OG1-CB 3.43Å; T495-N497 PolarHBondContact OG1-N 2.81Å; T495-N497 PolarHBondContact OG1-ND2 2.79Å
498G87.5Confident84.3Confident2 Ų261.7 Ų61.72%0.02132%0.319CS..EExtended strand (participates in β ladder)trans78.5138.8177.600000112.5L462 I465 M491L462-G498 VanDerWaalsContact O-CA 3.3Å; L462-G498 WeakPolarHBondContact O-CA 3.47Å; I465-G498 CarbonylContact O-C 3.44Å; I465-G498 WeakPolarHBondContact O-CA 3.29Å; I465-G498 PolarHBondContact O-N 3.08Å; M491-G498 PolarHBondContact N-O 3.47Å
499V92.5Very high83.9Confident0 Ų059.5 Ų59.50%031%0.311CS..EExtended strand (participates in β ladder)trans-130.1139.4177.966.50000111.1L462 I465 V467 F474 Y488 Q489 I501L462-V499 HydrophobicContact CB-CG1 3.89Å; L462-V499 HydrophobicContact CD1-CG1 4.48Å; L462-V499 HydrophobicContact CG-CG1 4.5Å; L462-V499 PolarHBondContact N-O 2.9Å; L462-V499 PolarHBondContact O-N 2.83Å; I465-V499 HydrophobicContact CB-CG1 3.88Å; I465-V499 HydrophobicContact CG2-CG1 3.78Å; V467-V499 HydrophobicContact CG1-CB 4.21Å; V467-V499 HydrophobicContact CG1-CG2 4.25Å; F474-V499 HydrophobicContact CE1-CG1 4.02Å; F474-V499 HydrophobicContact CE1-CG2 4.43Å; F474-V499 HydrophobicContact CE2-CG2 4.12Å; F474-V499 HydrophobicContact CZ-CB 4.29Å; F474-V499 HydrophobicContact CZ-CG1 3.99Å; F474-V499 HydrophobicContact CZ-CG2 3.84Å; Y488-V499 HydrophobicContact CD2-CG2 3.6Å; Y488-V499 HydrophobicContact CG-CG2 3.9Å; Q489-V499 WeakPolarHBondContact O-CA 3.17Å; V499-I501 HydrophobicContact CG1-CD1 4.35Å; V499-I501 HydrophobicContact CG1-CG1 4.15Å; V499-I501 HydrophobicContact CG2-CG1 4.1Å
500I92.5Very high83.6Confident34 Ų3459.8 Ų59.817%0.17432%0.316CS..EExtended strand (participates in β ladder)trans-104.1111.1169.8-55.2-179.1000107Q459 L460 N461 Y488 Q489 M491Q459-I500 HydrophobicContact CB-CG2 3.84Å; Q459-I500 HydrophobicContact CG-CG2 4.01Å; L460-I500 WeakPolarHBondContact O-CA 3.44Å; N461-I500 WeakPolarHBondContact OD1-CG2 3.33Å; Y488-I500 CarbonylContact C-O 3.59Å; Y488-I500 WeakPolarHBondContact CA-O 3.37Å; Q489-I500 HydrophobicContact CB-CB 4.36Å; Q489-I500 PolarHBondContact N-O 3.24Å; Q489-I500 PolarHBondContact O-N 2.98Å; M491-I500 HydrophobicContact CG-CD1 4.08Å; M491-I500 HydrophobicContact CG-CG1 3.53Å; M491-I500 HydrophobicContact SD-CG1 4.34Å
501I94.1Very high83.3Confident0 Ų064.4 Ų64.40%034%0.341CS..EExtended strand (participates in β ladder)trans-97.1127.4178.8-56.5173.7000108.8Q459 L460 L462 F474 L486 V499 L503 I521Q459-I501 CarbonylContact C-O 3.6Å; Q459-I501 VanDerWaalsContact CA-O 3.29Å; Q459-I501 WeakPolarHBondContact CA-O 3.39Å; L460-I501 HydrophobicContact CB-CB 4.45Å; L460-I501 PolarHBondContact N-O 3.45Å; L460-I501 PolarHBondContact O-N 2.83Å; L462-I501 HydrophobicContact CD1-CD1 3.73Å; L462-I501 HydrophobicContact CG-CD1 4.47Å; F474-I501 HydrophobicContact CD1-CD1 3.34Å; F474-I501 HydrophobicContact CD1-CG1 4.01Å; F474-I501 HydrophobicContact CE1-CD1 3.73Å; F474-I501 HydrophobicContact CE1-CG1 4.29Å; F474-I501 HydrophobicContact CG-CD1 4.09Å; F474-I501 HydrophobicContact CG-CG1 4.38Å; L486-I501 HydrophobicContact CB-CG2 3.75Å; L486-I501 HydrophobicContact CD1-CG2 3.6Å; L486-I501 HydrophobicContact CG-CG2 4.3Å; V499-I501 HydrophobicContact CG1-CD1 4.35Å; V499-I501 HydrophobicContact CG1-CG1 4.15Å; V499-I501 HydrophobicContact CG2-CG1 4.1Å; I501-L503 HydrophobicContact CG2-CD2 4.02Å; I501-I521 HydrophobicContact CD1-CD1 4.4Å
502N93.1Very high83.1Confident40 Ų4062.8 Ų62.821%0.21435%0.348CS..EExtended strand (participates in β ladder)trans-80.9123.4171.9-59.3-57.2000109.2Q459 S487Q459-N502 PolarHBondContact NE2-OD1 3Å; S487-N502 PolarHBondContact O-N 3Å; S487-N502 WeakPolarHBondContact OG-CB 3.36Å; S487-N502 PolarHBondContact OG-ND2 3.25Å
503L93.3Very high83.3Confident13 Ų1365.7 Ų65.77%0.06836%0.357CS..PPolyproline II helixtrans-101.1148.5-178.6-60.4-178.1000111.2L427 W430 P431 R458 L460 L486 I501 I521L427-L503 HydrophobicContact CD2-CD1 4.43Å; W430-L503 HydrophobicContact CH2-CB 4.42Å; W430-L503 HydrophobicContact CH2-CD1 4.24Å; W430-L503 HydrophobicContact CH2-CD2 4.19Å; W430-L503 HydrophobicContact CZ2-CB 3.87Å; W430-L503 HydrophobicContact CZ2-CD1 4.1Å; W430-L503 HydrophobicContact CZ2-CD2 4.47Å; W430-L503 HydrophobicContact CZ2-CG 4.38Å; P431-L503 HydrophobicContact CB-CD1 4.45Å; P431-L503 HydrophobicContact CG-CD1 3.74Å; R458-L503 HydrophobicContact CB-CB 4.28Å; R458-L503 HydrophobicContact CG-CB 3.9Å; R458-L503 HydrophobicContact CG-CD1 4.19Å; R458-L503 PolarHBondContact O-N 2.87Å; L460-L503 HydrophobicContact CB-CD1 4.02Å; L460-L503 HydrophobicContact CB-CG 4.3Å; L486-L503 HydrophobicContact CD1-CD2 4.03Å; I501-L503 HydrophobicContact CG2-CD2 4.02Å; L503-I521 HydrophobicContact CD2-CD1 3.92Å
504P89.4Confident83.6Confident32 Ų3261.3 Ų61.321%0.20835%0.347CS..PPolyproline II helixtrans-69.9158176.429.9-35.8000112.5W430 R458 L476W430-P504 HydrophobicContact CZ2-CG 4.17Å; R458-P504 PolarHBondContact NH1-O 3.49Å; R458-P504 VanDerWaalsContact NH1-O 3.16Å; L476-P504 HydrophobicContact CD2-CG 4Å
505D83.6Confident84Confident92 Ų9255.5 Ų55.549%0.49231%0.311SS..SBendtrans-76.5-49.1176.9-81.9-13.4000112.3K433 R458K433-D505 WeakPolarHBondContact CE-OD1 3.49Å; K433-D505 IonicContact NZ-OD1 2.7Å; K433-D505 PolarHBondContact NZ-OD1 3.3Å; K433-D505 IonicContact NZ-OD2 3.39Å; K433-D505 PolarHBondContact NZ-OD2 3.47Å; R458-D505 PolarHBondContact NH1-O 3.16Å; R458-D505 VanDerWaalsContact NH1-O 3.13Å
506L74.3Confident84.4Confident136 Ų13655.7 Ų55.771%0.71231%0.31SS*.SBendtrans-101.2132.7175.9-81.4142.4000108.7I508L506-I508 HydrophobicContact CB-CD1 4.39Å; L506-I508 HydrophobicContact CB-CG1 4.36Å; L506-I508 HydrophobicContact CD2-CD1 4.47Å
507I78.3Confident84.9Confident16 Ų1656 Ų568%0.08231%0.308CS..  trans-116.6110.3178.5-33.1167.7000107.6W430 L476 S514 L515 W519W430-I507 HydrophobicContact CB-CD1 4.48Å; W430-I507 HydrophobicContact CD2-CD1 3.28Å; W430-I507 HydrophobicContact CD2-CG1 4.34Å; W430-I507 HydrophobicContact CE3-CD1 3.78Å; W430-I507 HydrophobicContact CG-CD1 3.64Å; W430-I507 HydrophobicContact CH2-CD1 4.02Å; W430-I507 HydrophobicContact CH2-CG1 4.4Å; W430-I507 HydrophobicContact CZ2-CD1 3.57Å; W430-I507 HydrophobicContact CZ2-CG1 3.77Å; W430-I507 HydrophobicContact CZ3-CD1 4.12Å; L476-I507 HydrophobicContact CD2-CG2 3.84Å; I507-S514 WeakPolarHBondContact O-CA 2.94Å; I507-L515 HydrophobicContact CB-CB 4.18Å; I507-L515 HydrophobicContact CB-CG 4.48Å; I507-L515 HydrophobicContact CG2-CB 3.81Å; I507-L515 HydrophobicContact CG2-CD1 3.44Å; I507-L515 VanDerWaalsContact CG2-CD1 3.44Å; I507-L515 HydrophobicContact CG2-CG 3.75Å; I507-L515 PolarHBondContact O-N 3.33Å; I507-W519 HydrophobicContact CD1-CD2 4.28Å; I507-W519 HydrophobicContact CD1-CZ2 3.84Å
508I82.5Confident85.5Confident66 Ų6652.5 Ų52.534%0.33829%0.29SS..BIsolated β-bridgetrans-130138.9-173.1-50.2-176.6000107.5L506 G512 K513L506-I508 HydrophobicContact CB-CD1 4.39Å; L506-I508 HydrophobicContact CB-CG1 4.36Å; L506-I508 HydrophobicContact CD2-CD1 4.47Å; I508-G512 WeakPolarHBondContact CG2-O 3.43Å; I508-K513 CarbonylContact C-O 3.48Å; I508-K513 VanDerWaalsContact CA-O 3.25Å; I508-K513 WeakPolarHBondContact CA-O 3.03Å; I508-K513 VanDerWaalsContact CG2-O 3.31Å; I508-K513 WeakPolarHBondContact CG2-O 3.18Å
509N84.4Confident85.8Confident15 Ų1553.7 Ų53.78%0.0829%0.294CS..  trans-74.6172.5170.366.916.1000111.8I363 D478 N511 G512 K513 L515I363-N509 HydrophobicContact CD1-CB 3.86Å; D478-N509 CarbonylContact O-C 3.55Å; D478-N509 WeakPolarHBondContact O-CA 3.43Å; D478-N509 VanDerWaalsContact O-CB 3.3Å; D478-N509 WeakPolarHBondContact O-CB 3.4Å; N509-N511 PolarHBondContact O-N 3.38Å; N509-N511 WeakPolarHBondContact OD1-CA 3.08Å; N509-N511 WeakPolarHBondContact OD1-CB 3.04Å; N509-N511 PolarHBondContact OD1-N 3.4Å; N509-N511 VanDerWaalsContact OD1-N 3.08Å; N509-G512 PolarHBondContact O-N 2.93Å; N509-G512 PolarHBondContact OD1-N 2.92Å; N509-K513 PolarHBondContact N-O 2.95Å; N509-K513 PolarHBondContact OD1-N 2.62Å; N509-K513 PolarHBondContact OD1-O 2.89Å; N509-L515 HydrophobicContact CB-CD2 3.65Å
510D84Confident86.1Confident111 Ų11153.7 Ų53.759%0.59429%0.294SS*.THydrogen-bonded Turntrans-55.1-21.4178.1-163.938.7000113.8D478D478-D510 PolarHBondContact O-N 2.83Å
511N83.6Confident86.3Confident136 Ų13652 Ų5273%0.72729%0.285SS*.THydrogen-bonded Turntrans-936178.3-64.8-50.1000114.4N509N509-N511 PolarHBondContact O-N 3.38Å; N509-N511 WeakPolarHBondContact OD1-CA 3.08Å; N509-N511 WeakPolarHBondContact OD1-CB 3.04Å; N509-N511 PolarHBondContact OD1-N 3.4Å; N509-N511 VanDerWaalsContact OD1-N 3.08Å
512G82.1Confident86.4Confident56 Ų5654.3 Ų54.358%0.57729%0.294SS*.SBendtrans82.58.4179.700000115.1I508 N509I508-G512 WeakPolarHBondContact CG2-O 3.43Å; N509-G512 PolarHBondContact O-N 2.93Å; N509-G512 PolarHBondContact OD1-N 2.92Å
513K84.2Confident86.5Confident129 Ų12952.4 Ų52.456%0.56128%0.284SS*.PPolyproline II helixtrans-98.2148.2177.9-61.3-176.6179.2-179.90112I508 N509 L515I508-K513 CarbonylContact C-O 3.48Å; I508-K513 VanDerWaalsContact CA-O 3.25Å; I508-K513 WeakPolarHBondContact CA-O 3.03Å; I508-K513 VanDerWaalsContact CG2-O 3.31Å; I508-K513 WeakPolarHBondContact CG2-O 3.18Å; N509-K513 PolarHBondContact N-O 2.95Å; N509-K513 PolarHBondContact OD1-N 2.62Å; N509-K513 PolarHBondContact OD1-O 2.89Å; K513-L515 PolarHBondContact O-N 3.04Å
514S83Confident86.4Confident75 Ų7553 Ų5352%0.52429%0.288SS..BIsolated β-bridgetrans-57.6135.6175.7-170.30000111.6I507I507-S514 WeakPolarHBondContact O-CA 2.94Å
515L79.6Confident86.2Confident11 Ų1153.4 Ų53.46%0.05829%0.288CS..PPolyproline II helixtrans-70.6140.4164.5-65.8-168.7000109.5I363 I507 N509 K513 W519I363-L515 HydrophobicContact CD1-CD2 3.45Å; I363-L515 VanDerWaalsContact CD1-CD2 3.45Å; I363-L515 HydrophobicContact CG2-CD2 4.49Å; I507-L515 HydrophobicContact CB-CB 4.18Å; I507-L515 HydrophobicContact CB-CG 4.48Å; I507-L515 HydrophobicContact CG2-CB 3.81Å; I507-L515 HydrophobicContact CG2-CD1 3.44Å; I507-L515 VanDerWaalsContact CG2-CD1 3.44Å; I507-L515 HydrophobicContact CG2-CG 3.75Å; I507-L515 PolarHBondContact O-N 3.33Å; N509-L515 HydrophobicContact CB-CD2 3.65Å; K513-L515 PolarHBondContact O-N 3.04Å; L515-W519 VanDerWaalsContact CB-NE1 3.26Å
516N80.4Confident86.3Confident72 Ų7249.6 Ų49.639%0.38527%0.268SS..  trans-126.8153-175.9-62.7-35.5000112.1A518N516-A518 VanDerWaalsContact C-N 3.26Å; N516-A518 PolarHBondContact O-N 2.7Å
517Y81.5Confident86.6Confident65 Ų6547.4 Ų47.426%0.25525%0.253SS..SBendtrans68.8-34.8163-41.1-52.5000118.6P317 E318 I321P317-Y517 HydrophobicContact CB-CD1 4.26Å; P317-Y517 HydrophobicContact CB-CD2 3.78Å; P317-Y517 HydrophobicContact CB-CE1 4.24Å; P317-Y517 HydrophobicContact CB-CE2 3.78Å; P317-Y517 HydrophobicContact CB-CG 4.02Å; P317-Y517 HydrophobicContact CG-CE2 4.35Å; E318-Y517 HydrophobicContact CG-CD1 3.58Å; E318-Y517 HydrophobicContact CG-CE1 4.45Å; E318-Y517 HydrophobicContact CG-CG 4.21Å; E318-Y517 WeakPolarHBondContact OE1-CD1 3.16Å; E318-Y517 WeakPolarHBondContact OE1-CE1 3.48Å; I321-Y517 HydrophobicContact CD1-CD2 4.15Å; I321-Y517 HydrophobicContact CD1-CG 4.33Å
518A91.4Very high87Confident2 Ų249 Ų492%0.01726%0.262CS..  trans-167161.5169.500000111.8I321 I325 W360 L427 N516I321-A518 HydrophobicContact CG2-CB 3.61Å; I325-A518 HydrophobicContact CD1-CB 3.93Å; W360-A518 PolarHBondContact NE1-O 3.06Å; L427-A518 CarbonylContact O-C 3.58Å; L427-A518 WeakPolarHBondContact O-CA 3.34Å; L427-A518 VanDerWaalsContact O-CB 3.31Å; L427-A518 WeakPolarHBondContact O-CB 3.44Å; N516-A518 VanDerWaalsContact C-N 3.26Å; N516-A518 PolarHBondContact O-N 2.7Å
519W95.1Very high87.2Confident26 Ų2648.1 Ų48.110%0.09826%0.258CS..EExtended strand (participates in β ladder)trans-137145.8-174.4-57.2-89.2000112.1H426 L427 W430 L476 I507 L515H426-W519 CarbonylContact C-O 3.59Å; H426-W519 WeakPolarHBondContact CA-O 3.35Å; L427-W519 HydrophobicContact CB-CB 4.37Å; L427-W519 HydrophobicContact CB-CE3 4.37Å; L427-W519 PolarHBondContact N-O 3.25Å; L427-W519 PolarHBondContact O-N 2.58Å; W430-W519 HydrophobicContact CB-CE3 4.05Å; W430-W519 HydrophobicContact CB-CH2 3.66Å; W430-W519 HydrophobicContact CB-CZ2 4.12Å; W430-W519 HydrophobicContact CB-CZ3 3.64Å; W430-W519 HydrophobicContact CD2-CD2 4.17Å; W430-W519 HydrophobicContact CD2-CE3 4.35Å; W430-W519 HydrophobicContact CE3-CB 3.93Å; W430-W519 AromaticContact CE3-CD2 3.34Å; W430-W519 HydrophobicContact CE3-CD2 3.34Å; W430-W519 AromaticContact CE3-CE2 3.94Å; W430-W519 AromaticContact CE3-CE3 3.57Å; W430-W519 HydrophobicContact CE3-CE3 3.57Å; W430-W519 AromaticContact CE3-CG 3.5Å; W430-W519 HydrophobicContact CE3-CG 3.5Å; W430-W519 VanDerWaalsContact CE3-CG 3.5Å; W430-W519 HydrophobicContact CE3-CZ3 4.36Å; W430-W519 HydrophobicContact CH2-CG 4.47Å; W430-W519 HydrophobicContact CZ3-CB 3.54Å; W430-W519 AromaticContact CZ3-CD1 3.92Å; W430-W519 AromaticContact CZ3-CD2 3.85Å; W430-W519 HydrophobicContact CZ3-CD2 3.85Å; W430-W519 HydrophobicContact CZ3-CE3 4.4Å; W430-W519 AromaticContact CZ3-CG 3.44Å; W430-W519 HydrophobicContact CZ3-CG 3.44Å; W430-W519 VanDerWaalsContact CZ3-CG 3.44Å; L476-W519 HydrophobicContact CD1-CB 4.05Å; I507-W519 HydrophobicContact CD1-CD2 4.28Å; I507-W519 HydrophobicContact CD1-CZ2 3.84Å; L515-W519 VanDerWaalsContact CB-NE1 3.26Å
520T96.9Very high87.4Confident0 Ų049.9 Ų49.90%027%0.268CS..EExtended strand (participates in β ladder)trans-119.3127.5179.1-56.40000111.1N364 Y424 A425 H426 L477N364-T520 WeakPolarHBondContact CB-OG1 3.45Å; N364-T520 WeakPolarHBondContact OD1-CB 3.31Å; N364-T520 PolarHBondContact OD1-N 2.97Å; N364-T520 PolarHBondContact OD1-OG1 3.08Å; Y424-T520 HydrophobicContact CD1-CG2 3.88Å; Y424-T520 HydrophobicContact CG-CG2 4.33Å; A425-T520 CarbonylContact O-C 3.58Å; A425-T520 WeakPolarHBondContact O-CA 3.34Å; H426-T520 PolarHBondContact ND1-OG1 2.69Å; L477-T520 HydrophobicContact CD1-CG2 3.87Å; L477-T520 HydrophobicContact CG-CG2 4.44Å; L477-T520 WeakPolarHBondContact CG-O 3.25Å; L477-T520 PolarHBondContact N-O 2.93Å
521I97Very high87.6Confident0 Ų046.4 Ų46.40%025%0.249CC..EExtended strand (participates in β ladder)trans-101.4117.2170.6-56.9173.7000108.1Y424 A425 L427 L460 F474 T475 L476 L486 I501 L503 M523Y424-I521 CarbonylContact C-O 3.56Å; Y424-I521 WeakPolarHBondContact CA-O 3.32Å; A425-I521 HydrophobicContact CB-CB 4.31Å; A425-I521 PolarHBondContact N-O 2.88Å; A425-I521 PolarHBondContact O-N 2.92Å; L427-I521 HydrophobicContact CD1-CD1 4.09Å; L427-I521 HydrophobicContact CD1-CG1 4.29Å; L427-I521 HydrophobicContact CD2-CD1 4.5Å; L460-I521 HydrophobicContact CD2-CD1 4.01Å; F474-I521 HydrophobicContact CB-CG2 4.3Å; F474-I521 HydrophobicContact CD1-CG2 4.45Å; T475-I521 CarbonylContact O-C 3.46Å; T475-I521 WeakPolarHBondContact O-CA 3.45Å; L476-I521 HydrophobicContact CD1-CG1 4.08Å; L486-I521 HydrophobicContact CD1-CD1 3.91Å; L486-I521 HydrophobicContact CD1-CG1 4.07Å; L486-I521 HydrophobicContact CD1-CG2 3.99Å; I501-I521 HydrophobicContact CD1-CD1 4.4Å; L503-I521 HydrophobicContact CD2-CD1 3.92Å; I521-M523 HydrophobicContact CG2-CG 4.03Å
522R96.1Very high87.8Confident47 Ų4740.8 Ų40.818%0.17722%0.219CC..EExtended strand (participates in β ladder)trans-79.4127169.7-177.517568.7-159.1-0109.6E366 I422 Y424 F474 T475 L477 T482E366-R522 WeakPolarHBondContact OE1-CD 3.3Å; E366-R522 IonicContact OE1-NH1 3.46Å; E366-R522 IonicContact OE2-CZ 2.73Å; E366-R522 IonicContact OE2-NH1 2.81Å; E366-R522 PolarHBondContact OE2-NH1 2.74Å; I422-R522 HydrophobicContact CG2-CG 3.52Å; Y424-R522 HydrophobicContact CD1-CB 4.1Å; Y424-R522 HydrophobicContact CD1-CG 4.26Å; Y424-R522 HydrophobicContact CE1-CB 4.01Å; Y424-R522 HydrophobicContact CE1-CG 3.77Å; F474-R522 WeakPolarHBondContact CA-O 3.43Å; T475-R522 PolarHBondContact N-O 3.09Å; T475-R522 PolarHBondContact O-N 3.14Å; L477-R522 HydrophobicContact CD2-CB 4.04Å; T482-R522 PolarHBondContact O-NH2 2.85Å
523M94.9Very high88.2Confident0 Ų039.7 Ų39.70%020%0.195CC..EExtended strand (participates in β ladder)trans-122.7120.3-177.8-51.3-178-71.500109.4Y387 V423 A425 L462 I465 Q473 F474 I521 V526Y387-M523 HydrophobicContact CD1-CE 4.02Å; Y387-M523 HydrophobicContact CE1-CE 3.83Å; V423-M523 HydrophobicContact CB-CB 4.48Å; V423-M523 HydrophobicContact CB-CE 3.85Å; V423-M523 HydrophobicContact CG1-CE 3.48Å; V423-M523 VanDerWaalsContact CG1-CE 3.48Å; V423-M523 PolarHBondContact N-O 3.26Å; V423-M523 WeakPolarHBondContact O-CA 3.18Å; V423-M523 WeakPolarHBondContact O-CB 3.41Å; V423-M523 PolarHBondContact O-N 3Å; A425-M523 HydrophobicContact CB-CE 3.87Å; A425-M523 HydrophobicContact CB-SD 4.31Å; L462-M523 HydrophobicContact CD1-SD 4.17Å; I465-M523 HydrophobicContact CD1-CE 3.58Å; I465-M523 HydrophobicContact CD1-SD 4.07Å; I465-M523 HydrophobicContact CG1-CE 4.26Å; I465-M523 HydrophobicContact CG1-SD 4.21Å; I465-M523 HydrophobicContact CG2-SD 4.5Å; Q473-M523 WeakPolarHBondContact O-CA 3.35Å; F474-M523 HydrophobicContact CD1-CB 4.17Å; F474-M523 HydrophobicContact CD1-CG 3.56Å; F474-M523 HydrophobicContact CD1-SD 3.83Å; F474-M523 HydrophobicContact CE1-CB 4.18Å; F474-M523 HydrophobicContact CE1-CG 3.79Å; F474-M523 HydrophobicContact CE1-SD 3.6Å; I521-M523 HydrophobicContact CG2-CG 4.03Å; M523-V526 HydrophobicContact CB-CG1 4.02Å; M523-V526 HydrophobicContact CB-CG2 3.73Å
524T91.8Very high88.5Confident27 Ų2733.4 Ų33.417%0.16617%0.169CC..EExtended strand (participates in β ladder)trans-112.9151179.261.70000110.5I422 S472 Q473 V526I422-T524 HydrophobicContact CG1-CG2 4.4Å; I422-T524 HydrophobicContact CG2-CG2 4.37Å; S472-T524 VanDerWaalsContact CA-O 3.3Å; S472-T524 WeakPolarHBondContact CA-O 3.42Å; Q473-T524 WeakPolarHBondContact CB-OG1 3.37Å; Q473-T524 PolarHBondContact N-O 2.85Å; Q473-T524 PolarHBondContact O-N 3.47Å; T524-V526 PolarHBondContact O-N 2.83Å
525N86.5Confident88.9Confident39 Ų3930.2 Ų30.221%0.20914%0.141CC..SBendtrans52.636-177.6-48.7-50.1000112.7L471 S472L471-N525 HydrophobicContact CB-CB 4.13Å; L471-N525 PolarHBondContact O-ND2 3.3Å; S472-N525 PolarHBondContact OG-O 2.97Å
526V85.8Confident89.7Confident12 Ų1231.8 Ų31.87%0.07315%0.148CC..BIsolated β-bridgetrans-104.7150.6170.6-62.80000108.5V423 I465 S466 V467 F474 M523 T524V423-V526 HydrophobicContact CB-CG2 3.88Å; V423-V526 HydrophobicContact CG2-CG2 3.76Å; I465-V526 HydrophobicContact CG2-CB 4.04Å; I465-V526 HydrophobicContact CG2-CG1 3.96Å; S466-V526 WeakPolarHBondContact O-CA 3.24Å; V467-V526 HydrophobicContact CG1-CG1 4.49Å; F474-V526 HydrophobicContact CE1-CG1 4.15Å; F474-V526 HydrophobicContact CZ-CG1 3.82Å; M523-V526 HydrophobicContact CB-CG1 4.02Å; M523-V526 HydrophobicContact CB-CG2 3.73Å; T524-V526 PolarHBondContact O-N 2.83Å
527F79.5Confident90.6Very high91 Ų9128.1 Ų28.140%0.39913%0.127SC..  trans-116.6017446.3-81.4000111.4W374 R375 S466 Q468W374-F527 WeakPolarHBondContact CZ2-OXT 3.42Å; R375-F527 PolarHBondContact NH1-OXT 2.97Å; R375-F527 PolarHBondContact NH2-O 2.82Å; R375-F527 PolarHBondContact NH2-OXT 3.17Å; S466-F527 VanDerWaalsContact CB-CD2 3.44Å; S466-F527 VanDerWaalsContact CB-CZ 3.49Å; S466-F527 PolarHBondContact N-O 2.76Å; S466-F527 PolarHBondContact O-N 3.28Å; Q468-F527 HydrophobicContact CG-CD1 4.08Å; Q468-F527 HydrophobicContact CG-CE1 3.78Å

Retrieved 527 of 527 residues in 404.6 ms (Link to these results)

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