A0A5K4FDV9_SCHMA Loading...

HintN domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 759 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.9Low74.6Confident196 Ų196125.3 Ų125.397%0.96662%0.622SS**  0-520-84.7-173.114000113.2Q3 S4 H5M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 3.19Å; M1-S4 PolarHBondContact O-N 3.15Å; M1-H5 PolarHBondContact O-CD2 3.48Å; M1-H5 VanDerWaalsContact O-CD2 3.23Å; M1-H5 PolarHBondContact O-N 3.2Å
2Y65.1Low75.1Confident208 Ų208122.8 Ų122.882%0.81661%0.612SS**Hα-helixtrans-52-39.5-178.4-82.2-83.6000115.7S4 H5 C6Y2-S4 PolarHBondContact O-N 3.28Å; Y2-H5 PolarHBondContact O-N 3.32Å; Y2-C6 PolarHBondContact O-N 3.34Å; Y2-C6 VanDerWaalsContact O-N 3.09Å
3Q67.2Low75.3Confident178 Ų178121.1 Ų121.183%0.83261%0.605SS**Hα-helixtrans-69-32.3-177.2-150.5171.53.100113.7M1 L7M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 3.19Å; Q3-L7 PolarHBondContact O-N 3.46Å
4S75.4Confident75Confident86 Ų86116.6 Ų116.660%0.60159%0.587SS**Hα-helixtrans-72.6-40.1175.8178.80000111.4M1 Y2 C6 L7 L8M1-S4 PolarHBondContact O-N 3.15Å; Y2-S4 PolarHBondContact O-N 3.28Å; S4-C6 PolarHBondContact O-N 3.42Å; S4-L7 PolarHBondContact O-N 3.03Å; S4-L8 PolarHBondContact O-N 2.86Å
5H79.6Confident74.9Confident113 Ų113114.3 Ų114.352%0.52358%0.577SS.*Hα-helixtrans-65.9-36.9176.4-68.8-61.6000112.7M1 Y2 L8 F9M1-H5 PolarHBondContact O-CD2 3.48Å; M1-H5 VanDerWaalsContact O-CD2 3.23Å; M1-H5 PolarHBondContact O-N 3.2Å; Y2-H5 PolarHBondContact O-N 3.32Å; H5-L8 PolarHBondContact O-N 2.89Å; H5-F9 VanDerWaalsContact O-CB 3.3Å; H5-F9 WeakPolarHBondContact O-CB 3.38Å; H5-F9 PolarHBondContact O-N 3.37Å
6C76.9Confident74.4Confident78 Ų78117.1 Ų117.153%0.52758%0.579SS.*Hα-helixtrans-62.8-43.4173.1-80.30000112.4Y2 S4 F9 I10Y2-C6 PolarHBondContact O-N 3.34Å; Y2-C6 VanDerWaalsContact O-N 3.09Å; S4-C6 PolarHBondContact O-N 3.42Å; C6-F9 PolarHBondContact O-N 3.15Å; C6-I10 VanDerWaalsContact O-CG1 3.27Å; C6-I10 WeakPolarHBondContact O-CG1 3.44Å; C6-I10 PolarHBondContact O-N 2.86Å
7L78.8Confident73.8Confident113 Ų113113.8 Ų113.859%0.59257%0.567SS**Hα-helixtrans-64.5-44178.2-162.8101.7000111.2Q3 S4 F9 I10 I11Q3-L7 PolarHBondContact O-N 3.46Å; S4-L7 PolarHBondContact O-N 3.03Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 3.29Å; L7-I10 PolarHBondContact O-N 3.39Å; L7-I11 HydrophobicContact CD2-CD1 3.89Å; L7-I11 HydrophobicContact CG-CD1 4.17Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.4Å; L7-I11 PolarHBondContact O-N 3.29Å
8L80.7Confident73Confident95 Ų95112.7 Ų112.750%0.49757%0.567SS.*Hα-helixtrans-62.3-40.9176.3-170.175.4000111.6S4 H5 I11 L12S4-L8 PolarHBondContact O-N 2.86Å; H5-L8 PolarHBondContact O-N 2.89Å; L8-I11 PolarHBondContact O-N 3.17Å; L8-L12 HydrophobicContact CD2-CD1 4.49Å; L8-L12 HydrophobicContact CG-CD1 4.14Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.42Å
9F82Confident71.9Confident143 Ų143111.6 Ų111.663%0.62756%0.564SS**Hα-helixtrans-65.6-41.4177.4-165.6-94.6000111.8H5 C6 L7 L12 L13H5-F9 VanDerWaalsContact O-CB 3.3Å; H5-F9 WeakPolarHBondContact O-CB 3.38Å; H5-F9 PolarHBondContact O-N 3.37Å; C6-F9 PolarHBondContact O-N 3.15Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 3.29Å; F9-L12 PolarHBondContact O-N 3.42Å; F9-L13 HydrophobicContact CE1-CD1 4.27Å; F9-L13 VanDerWaalsContact O-CB 3.29Å; F9-L13 WeakPolarHBondContact O-CB 3.24Å; F9-L13 PolarHBondContact O-N 2.93Å
10I81Confident70.8Confident100 Ų100110.8 Ų110.851%0.51356%0.56SS.*Hα-helixtrans-62.8-44.4174-67.9165.1000110.4C6 L7 L13 T14C6-I10 VanDerWaalsContact O-CG1 3.27Å; C6-I10 WeakPolarHBondContact O-CG1 3.44Å; C6-I10 PolarHBondContact O-N 2.86Å; L7-I10 PolarHBondContact O-N 3.39Å; I10-L13 PolarHBondContact O-N 3.23Å; I10-T14 WeakPolarHBondContact O-CG2 3.48Å; I10-T14 PolarHBondContact O-N 3.31Å; I10-T14 PolarHBondContact O-OG1 3.01Å
11I80.1Confident69.6Low68 Ų68108.6 Ų108.635%0.34955%0.549SS..Hα-helixtrans-61.5-47.8177-69.1165000110.5L7 L8 L13 T14 I15L7-I11 HydrophobicContact CD2-CD1 3.89Å; L7-I11 HydrophobicContact CG-CD1 4.17Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.4Å; L7-I11 PolarHBondContact O-N 3.29Å; L8-I11 PolarHBondContact O-N 3.17Å; I11-L13 VanDerWaalsContact C-N 3.33Å; I11-L13 PolarHBondContact O-N 3.35Å; I11-T14 WeakPolarHBondContact CA-OG1 3.33Å; I11-T14 PolarHBondContact O-N 3.49Å; I11-T14 PolarHBondContact O-OG1 3.44Å; I11-I15 HydrophobicContact CG2-CD1 3.76Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 WeakPolarHBondContact O-CG1 3.26Å; I11-I15 PolarHBondContact O-N 3.31Å
12L80.1Confident69.3Low96 Ų96107 Ų10750%0.50354%0.54SS..Hα-helixtrans-62-39.4176.8-75169.1000112L8 F9 I15 Y16L8-L12 HydrophobicContact CD2-CD1 4.49Å; L8-L12 HydrophobicContact CG-CD1 4.14Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.42Å; F9-L12 PolarHBondContact O-N 3.42Å; L12-I15 PolarHBondContact O-N 2.96Å; L12-Y16 WeakPolarHBondContact O-CB 3.47Å; L12-Y16 PolarHBondContact O-N 3.35Å
13L78.6Confident68Low100 Ų10099.3 Ų99.352%0.52452%0.523SS..Hα-helixtrans-64.8-40.1174.7-159.295.2000111.3F9 I10 I11 Y16 T17F9-L13 HydrophobicContact CE1-CD1 4.27Å; F9-L13 VanDerWaalsContact O-CB 3.29Å; F9-L13 WeakPolarHBondContact O-CB 3.24Å; F9-L13 PolarHBondContact O-N 2.93Å; I10-L13 PolarHBondContact O-N 3.23Å; I11-L13 VanDerWaalsContact C-N 3.33Å; I11-L13 PolarHBondContact O-N 3.35Å; L13-Y16 PolarHBondContact O-N 3.15Å; L13-T17 WeakPolarHBondContact O-CB 3.4Å; L13-T17 VanDerWaalsContact O-CG2 3.28Å; L13-T17 WeakPolarHBondContact O-CG2 3.08Å; L13-T17 PolarHBondContact O-N 3.48Å; L13-T17 PolarHBondContact O-OG1 3.46Å
14T71.4Confident66.6Low58 Ų5896.6 Ų96.636%0.35652%0.522SS..Hα-helixtrans-66.9-40.2174.857.90000112.1I10 I11 T17 V18I10-T14 WeakPolarHBondContact O-CG2 3.48Å; I10-T14 PolarHBondContact O-N 3.31Å; I10-T14 PolarHBondContact O-OG1 3.01Å; I11-T14 WeakPolarHBondContact CA-OG1 3.33Å; I11-T14 PolarHBondContact O-N 3.49Å; I11-T14 PolarHBondContact O-OG1 3.44Å; T14-T17 WeakPolarHBondContact CA-OG1 3.19Å; T14-T17 PolarHBondContact O-OG1 3.07Å; T14-V18 WeakPolarHBondContact O-CB 2.96Å; T14-V18 WeakPolarHBondContact O-CG2 3.3Å; T14-V18 PolarHBondContact O-N 3.18Å
15I72.2Confident64.9Low83 Ų8395.2 Ų95.243%0.42651%0.507SS..Hα-helixtrans-67.4-42.4175.7-67.2167.7000110.7I11 L12 V18 N19I11-I15 HydrophobicContact CG2-CD1 3.76Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 WeakPolarHBondContact O-CG1 3.26Å; I11-I15 PolarHBondContact O-N 3.31Å; L12-I15 PolarHBondContact O-N 2.96Å; I15-V18 PolarHBondContact O-N 2.9Å; I15-N19 PolarHBondContact O-N 3.46Å; I15-N19 PolarHBondContact O-ND2 3.07Å
16Y67.3Low62.6Low158 Ų15896.4 Ų96.462%0.6251%0.511SS*.Hα-helixtrans-66.7-40.5179-169-110.9000111.5L12 L13 N19 I20L12-Y16 WeakPolarHBondContact O-CB 3.47Å; L12-Y16 PolarHBondContact O-N 3.35Å; L13-Y16 PolarHBondContact O-N 3.15Å; Y16-N19 PolarHBondContact O-N 3.45Å; Y16-I20 HydrophobicContact CD1-CD1 3.48Å; Y16-I20 VanDerWaalsContact CD1-CD1 3.48Å; Y16-I20 HydrophobicContact CD1-CG1 4.48Å; Y16-I20 HydrophobicContact CD2-CD1 4.49Å; Y16-I20 HydrophobicContact CE1-CD1 3.12Å; Y16-I20 HydrophobicContact CE1-CG1 4.3Å; Y16-I20 HydrophobicContact CE2-CD1 4.19Å; Y16-I20 HydrophobicContact CG-CD1 4.17Å; Y16-I20 WeakPolarHBondContact O-CB 3.46Å; Y16-I20 VanDerWaalsContact O-CG1 3.28Å; Y16-I20 WeakPolarHBondContact O-CG1 3.27Å; Y16-I20 PolarHBondContact O-N 3.45Å
17T64.2Low60.7Low61 Ų6194.6 Ų94.637%0.37450%0.499SS..Hα-helixtrans-67.5-37.3172.350.10000112L13 T14 I20 L21L13-T17 WeakPolarHBondContact O-CB 3.4Å; L13-T17 VanDerWaalsContact O-CG2 3.28Å; L13-T17 WeakPolarHBondContact O-CG2 3.08Å; L13-T17 PolarHBondContact O-N 3.48Å; L13-T17 PolarHBondContact O-OG1 3.46Å; T14-T17 WeakPolarHBondContact CA-OG1 3.19Å; T14-T17 PolarHBondContact O-OG1 3.07Å; T17-I20 PolarHBondContact O-N 2.96Å; T17-L21 VanDerWaalsContact O-CB 3.24Å; T17-L21 WeakPolarHBondContact O-CB 3.14Å; T17-L21 WeakPolarHBondContact O-CD1 3.5Å; T17-L21 PolarHBondContact O-N 3.42Å
18V60Low58.8Low94 Ų9491.5 Ų91.557%0.5749%0.487SS*.Hα-helixtrans-63.6-42.11741690000111.8T14 I15 L21 Q22T14-V18 WeakPolarHBondContact O-CB 2.96Å; T14-V18 WeakPolarHBondContact O-CG2 3.3Å; T14-V18 PolarHBondContact O-N 3.18Å; I15-V18 PolarHBondContact O-N 2.9Å; V18-L21 PolarHBondContact O-N 3.07Å; V18-Q22 PolarHBondContact O-N 2.95Å
19N51.8Low56.7Low93 Ų9392.4 Ų92.450%0.49749%0.49SS..Hα-helixtrans-70.6-35.6176.2-74.6-42.4000112.5I15 Y16 L21 Q22I15-N19 PolarHBondContact O-N 3.46Å; I15-N19 PolarHBondContact O-ND2 3.07Å; Y16-N19 PolarHBondContact O-N 3.45Å; N19-L21 VanDerWaalsContact C-N 3.3Å; N19-Q22 PolarHBondContact O-N 3.44Å
20I49.8Very low54.5Low95 Ų9593 Ų9349%0.48749%0.493SS..Hα-helixtrans-71.1-27.2171.8-69.7171.9000111.4Y16 T17 Q22 G23Y16-I20 HydrophobicContact CD1-CD1 3.48Å; Y16-I20 VanDerWaalsContact CD1-CD1 3.48Å; Y16-I20 HydrophobicContact CD1-CG1 4.48Å; Y16-I20 HydrophobicContact CD2-CD1 4.49Å; Y16-I20 HydrophobicContact CE1-CD1 3.12Å; Y16-I20 HydrophobicContact CE1-CG1 4.3Å; Y16-I20 HydrophobicContact CE2-CD1 4.19Å; Y16-I20 HydrophobicContact CG-CD1 4.17Å; Y16-I20 WeakPolarHBondContact O-CB 3.46Å; Y16-I20 VanDerWaalsContact O-CG1 3.28Å; Y16-I20 WeakPolarHBondContact O-CG1 3.27Å; Y16-I20 PolarHBondContact O-N 3.45Å; T17-I20 PolarHBondContact O-N 2.96Å; I20-Q22 VanDerWaalsContact C-N 3.28Å; I20-Q22 PolarHBondContact O-N 2.79Å; I20-G23 VanDerWaalsContact O-CA 3.23Å; I20-G23 WeakPolarHBondContact O-CA 3.11Å; I20-G23 PolarHBondContact O-N 2.96Å
21L46.4Very low52.5Low64 Ų6495.7 Ų95.734%0.33550%0.497SS..THydrogen-bonded Turntrans-79.90.6175.9-96.490.7000114.5T17 V18 N19 G23 M25 W738T17-L21 VanDerWaalsContact O-CB 3.24Å; T17-L21 WeakPolarHBondContact O-CB 3.14Å; T17-L21 WeakPolarHBondContact O-CD1 3.5Å; T17-L21 PolarHBondContact O-N 3.42Å; V18-L21 PolarHBondContact O-N 3.07Å; N19-L21 VanDerWaalsContact C-N 3.3Å; L21-G23 PolarHBondContact O-N 2.97Å; L21-M25 HydrophobicContact CD2-SD 4.11Å; L21-W738 HydrophobicContact CD2-CZ2 4.43Å
22Q46.6Very low50.8Low164 Ų16499.9 Ų99.977%0.76651%0.509SS*.THydrogen-bonded Turntrans-61.9-10.8149.5-81173.8-36.800111.6V18 N19 I20 C24V18-Q22 PolarHBondContact O-N 2.95Å; N19-Q22 PolarHBondContact O-N 3.44Å; I20-Q22 VanDerWaalsContact C-N 3.28Å; I20-Q22 PolarHBondContact O-N 2.79Å; Q22-C24 VanDerWaalsContact C-N 3.32Å; Q22-C24 PolarHBondContact O-N 3.49Å
23G38Very low49.5Very low46 Ų4696.6 Ų96.647%0.47449%0.493SS..SBendtrans-56.589.7162.600000111.8I20 L21 M25I20-G23 VanDerWaalsContact O-CA 3.23Å; I20-G23 WeakPolarHBondContact O-CA 3.11Å; I20-G23 PolarHBondContact O-N 2.96Å; L21-G23 PolarHBondContact O-N 2.97Å; G23-M25 PolarHBondContact O-N 3.35Å
24C38.6Very low48.3Very low120 Ų12097.2 Ų97.281%0.81150%0.503SS*.  trans34.648.4150.3-65.40000115.4Q22 K26Q22-C24 VanDerWaalsContact C-N 3.32Å; Q22-C24 PolarHBondContact O-N 3.49Å; C24-K26 PolarHBondContact O-N 3.35Å; C24-K26 VanDerWaalsContact O-N 3.1Å
25M38.1Very low47.8Very low58 Ų58100.5 Ų100.529%0.28652%0.517SS..  trans-66.2114.6161.7-82.2-149.962.400106.7L21 G23 S27 W734 W738L21-M25 HydrophobicContact CD2-SD 4.11Å; G23-M25 PolarHBondContact O-N 3.35Å; M25-S27 PolarHBondContact O-N 3.21Å; M25-W734 HydrophobicContact SD-CZ3 4.29Å; M25-W738 HydrophobicContact CE-CB 3.64Å; M25-W738 HydrophobicContact CE-CG 3.78Å; M25-W738 HydrophobicContact SD-CB 3.99Å; M25-W738 HydrophobicContact SD-CG 3.77Å
26K32.6Very low48Very low138 Ų13898 Ų9860%0.650%0.502SS*.  trans-59.675.3165.4-66.6-179.5-179.4178.30108.4C24 F30 K741C24-K26 PolarHBondContact O-N 3.35Å; C24-K26 VanDerWaalsContact O-N 3.1Å; K26-F30 HydrophobicContact CB-CB 4.49Å; K26-K741 PolarHBondContact O-NZ 2.85Å
27S37.2Very low47.9Very low39 Ų3996.5 Ų96.527%0.27351%0.509SS..  trans-67.6166.1166.874.80000107.8M25 M29 F30M25-S27 PolarHBondContact O-N 3.21Å; S27-M29 PolarHBondContact O-N 2.82Å; S27-M29 VanDerWaalsContact OG-CB 3.3Å; S27-M29 WeakPolarHBondContact OG-CB 3.4Å; S27-M29 PolarHBondContact OG-N 3.33Å; S27-M29 VanDerWaalsContact OG-N 3.15Å; S27-F30 PolarHBondContact O-N 3.38Å
28S38.7Very low48.5Very low48 Ų48103.7 Ų103.734%0.33653%0.53SS..Hα-helixtrans-54.7-16.1170.557.70000113F30 Y31 R32S28-F30 VanDerWaalsContact C-N 3.26Å; S28-F30 PolarHBondContact O-N 3.11Å; S28-Y31 PolarHBondContact O-N 2.97Å; S28-R32 PolarHBondContact O-N 3.27Å
29M35.3Very low49.7Very low115 Ų115100.6 Ų100.657%0.56751%0.512SS*.Hα-helixtrans-64.4-24.9169.6-65.9-154.269.500113.9S27 Y31 R32S27-M29 PolarHBondContact O-N 2.82Å; S27-M29 VanDerWaalsContact OG-CB 3.3Å; S27-M29 WeakPolarHBondContact OG-CB 3.4Å; S27-M29 PolarHBondContact OG-N 3.33Å; S27-M29 VanDerWaalsContact OG-N 3.15Å; M29-Y31 VanDerWaalsContact C-N 3.29Å; M29-R32 WeakPolarHBondContact O-CB 3.48Å; M29-R32 PolarHBondContact O-N 3.2Å
30F37Very low51.6Low156 Ų15699.3 Ų99.368%0.68450%0.503SS*.Hα-helixtrans-74-23.3174.7-139.8-82.1000112.3K26 S27 S28K26-F30 HydrophobicContact CB-CB 4.49Å; S27-F30 PolarHBondContact O-N 3.38Å; S28-F30 VanDerWaalsContact C-N 3.26Å; S28-F30 PolarHBondContact O-N 3.11Å
31Y38.3Very low53.7Low155 Ų15597 Ų9761%0.60849%0.493SS*.Hα-helixtrans-84.6-14.1170.4-65.5-77.6000112.8S28 M29 T33 K459S28-Y31 PolarHBondContact O-N 2.97Å; M29-Y31 VanDerWaalsContact C-N 3.29Å; Y31-T33 PolarHBondContact O-N 3.29Å; Y31-K459 PolarHBondContact O-NZ 2.93Å
32R44.9Very low56Low157 Ų15794.1 Ų94.159%0.59248%0.478SS*.SBendtrans-64.2127172-69.4179.6-178.1-179-0.8107.5S28 M29S28-R32 PolarHBondContact O-N 3.27Å; M29-R32 WeakPolarHBondContact O-CB 3.48Å; M29-R32 PolarHBondContact O-N 3.2Å
33T51.9Low58.2Low27 Ų2790.7 Ų90.717%0.16647%0.468CS..PPolyproline II helixtrans-54.2139.3174.752.90000109.5Y31 R36Y31-T33 PolarHBondContact O-N 3.29Å; T33-R36 VanDerWaalsContact OG1-CZ 3.27Å; T33-R36 PolarHBondContact OG1-NH2 3.49Å
34P54.4Low60.7Low112 Ų11291 Ų9173%0.72746%0.462SS*.PPolyproline II helixtrans-51.7148.2176.422.1-32.9000110.2R36P34-R36 PolarHBondContact O-N 3.31Å
35I61.1Low63.2Low128 Ų12886.5 Ų86.566%0.65644%0.436SS*.PPolyproline II helixtrans-48.9119.2177.9-66.3163.5000108.5T37 M207I35-T37 PolarHBondContact O-N 3.13Å; I35-M207 HydrophobicContact CG2-CE 4.21Å
36R75.7Confident65.7Low31 Ų3185.6 Ų85.612%0.11743%0.431CS..  trans-84.6102.6-175.9-64.3165.2174.2146.1-4.4107.9T33 P34 Y438 Y439 F443T33-R36 VanDerWaalsContact OG1-CZ 3.27Å; T33-R36 PolarHBondContact OG1-NH2 3.49Å; P34-R36 PolarHBondContact O-N 3.31Å; R36-Y438 HydrophobicContact CG-CE1 4.37Å; R36-Y438 PolarHBondContact NE-OH 3.29Å; R36-Y438 VanDerWaalsContact NE-OH 3.11Å; R36-Y438 PolarHBondContact NH1-O 2.99Å; R36-Y439 HydrophobicContact CB-CD1 3.58Å; R36-Y439 HydrophobicContact CB-CE1 3.94Å; R36-Y439 HydrophobicContact CG-CD1 4.43Å; R36-F443 PolarHBondContact NH1-O 3.43Å; R36-F443 PolarHBondContact NH2-O 3.16Å
37T66.3Low68.6Low126 Ų12682.1 Ų82.177%0.77341%0.414SS*.  trans-80.6-26.9-170.754.10000114.6I35I35-T37 PolarHBondContact O-N 3.13Å
38R75.7Confident71.2Confident212 Ų21282.1 Ų82.180%0.841%0.41SS*.  trans-112.4109.6-179.6-173.3178.1-178.7177.41.4110.3Y439R38-Y439 WeakPolarHBondContact O-CE1 3.38Å; R38-Y439 PolarHBondContact O-OH 3.22Å
39S86.5Confident73.7Confident29 Ų2980.4 Ų80.420%0.20340%0.398CS..  trans-99.1151.5172.673.80000111.3Q435S39-Q435 PolarHBondContact OG-NE2 2.76Å
40H91.2Very high76.3Confident66 Ų6682 Ų8231%0.30640%0.402SS..  trans-148158.3168.568.9-78.2000109.5E46 Q435 Y439H40-E46 IonicContact CD2-OE1 2.63Å; H40-E46 IonicContact CD2-OE2 2.76Å; H40-E46 IonicContact CE1-OE1 3.11Å; H40-E46 IonicContact NE2-OE1 3.52Å; H40-E46 PolarHBondContact NE2-OE1 3.45Å; H40-E46 IonicContact NE2-OE2 2.65Å; H40-E46 PolarHBondContact NE2-OE2 3.32Å; H40-Q435 VanDerWaalsContact C-NE2 3.32Å; H40-Q435 WeakPolarHBondContact O-CB 3.4Å; H40-Q435 VanDerWaalsContact O-CG 3.25Å; H40-Q435 WeakPolarHBondContact O-CG 3.28Å; H40-Y439 PolarHBondContact ND1-OH 3.07Å
41V93.1Very high78.6Confident45 Ų4578.2 Ų78.227%0.27339%0.386SS..PPolyproline II helixtrans-74.9129.6176.1-179.70000108.8L428 V432V41-L428 HydrophobicContact CG1-CD1 4.35Å; V41-V432 HydrophobicContact CG1-CG2 4.03Å; V41-V432 HydrophobicContact CG2-CG2 4.04Å
42F94.3Very high80.9Confident4 Ų475.3 Ų75.32%0.01838%0.38CS..PPolyproline II helixtrans-70.4144.9-178.6-77.2-133.1000110.7E46 Q48 G431 A434 Q435 Y438 Y439 C446 F448F42-E46 HydrophobicContact CD1-CB 4.41Å; F42-E46 HydrophobicContact CD1-CG 4.36Å; F42-Q48 HydrophobicContact CE1-CB 3.85Å; F42-Q48 HydrophobicContact CZ-CB 3.58Å; F42-Q48 HydrophobicContact CZ-CG 4.47Å; F42-G431 PolarHBondContact N-O 3.26Å; F42-G431 VanDerWaalsContact O-CA 3.28Å; F42-G431 WeakPolarHBondContact O-CA 3.48Å; F42-A434 HydrophobicContact CB-CB 3.87Å; F42-A434 HydrophobicContact CD1-CB 3.8Å; F42-A434 HydrophobicContact CD2-CB 3.97Å; F42-A434 HydrophobicContact CE1-CB 4.26Å; F42-A434 HydrophobicContact CE2-CB 4.42Å; F42-A434 HydrophobicContact CG-CB 3.62Å; F42-Q435 HydrophobicContact CD2-CB 4.43Å; F42-Y438 HydrophobicContact CZ-CD1 4.47Å; F42-Y438 HydrophobicContact CZ-CG 4.21Å; F42-Y439 HydrophobicContact CE2-CE2 4.01Å; F42-C446 HydrophobicContact CE1-CB 4.01Å; F42-C446 HydrophobicContact CZ-CB 4.11Å; F42-F448 HydrophobicContact CB-CB 4.16Å; F42-F448 HydrophobicContact CB-CD1 4.37Å
43V92.9Very high83Confident92 Ų9268.4 Ų68.456%0.55836%0.355SS*.PPolyproline II helixtrans-97.8149.8172.9-177.70000109.9G45 E46 F448V43-G45 PolarHBondContact O-N 3.26Å; V43-G45 VanDerWaalsContact O-N 3.16Å; V43-E46 PolarHBondContact N-OE2 3.01Å; V43-E46 WeakPolarHBondContact O-CB 3.36Å; V43-E46 PolarHBondContact O-N 3.06Å; V43-F448 VanDerWaalsContact C-CD1 3.47Å
44P91.6Very high84.7Confident54 Ų5469.5 Ų69.535%0.35136%0.363SS..THydrogen-bonded Turntrans-53.7121.9179-25.731.2000113.8F448 R450P44-F448 HydrophobicContact CB-CD1 4.36Å; P44-F448 HydrophobicContact CB-CE1 4.06Å; P44-F448 HydrophobicContact CB-CZ 4.2Å; P44-F448 HydrophobicContact CG-CD1 4.15Å; P44-F448 HydrophobicContact CG-CE1 3.47Å; P44-F448 VanDerWaalsContact CG-CE1 3.47Å; P44-F448 HydrophobicContact CG-CZ 3.73Å; P44-R450 HydrophobicContact CB-CG 4.07Å
45G90Very high86.2Confident25 Ų2566.7 Ų66.726%0.25834%0.342SS..THydrogen-bonded Turntrans92.20.5-175.100000114.5V43 F448V43-G45 PolarHBondContact O-N 3.26Å; V43-G45 VanDerWaalsContact O-N 3.16Å; G45-F448 WeakPolarHBondContact CA-O 3.42Å; G45-F448 PolarHBondContact N-O 3.14Å
46E91.2Very high87.2Confident39 Ų3967.3 Ų67.318%0.18235%0.346CS..  trans-83.8141.1174.5-172.2173.1-169.400111.5H40 F42 V43 F447 F448H40-E46 IonicContact CD2-OE1 2.63Å; H40-E46 IonicContact CD2-OE2 2.76Å; H40-E46 IonicContact CE1-OE1 3.11Å; H40-E46 IonicContact NE2-OE1 3.52Å; H40-E46 PolarHBondContact NE2-OE1 3.45Å; H40-E46 IonicContact NE2-OE2 2.65Å; H40-E46 PolarHBondContact NE2-OE2 3.32Å; F42-E46 HydrophobicContact CD1-CB 4.41Å; F42-E46 HydrophobicContact CD1-CG 4.36Å; V43-E46 PolarHBondContact N-OE2 3.01Å; V43-E46 WeakPolarHBondContact O-CB 3.36Å; V43-E46 PolarHBondContact O-N 3.06Å; E46-F447 WeakPolarHBondContact O-CD2 3.37Å; E46-F448 PolarHBondContact O-N 2.97Å
47Y93.6Very high87.5Confident65 Ų6572.1 Ų72.126%0.25537%0.37SS..EExtended strand (participates in β ladder)trans-132153.3172.358.2-83.5000111.4P49 Q51 M366 W445 C446 F447Y47-P49 VanDerWaalsContact CD2-O 3.29Å; Y47-P49 WeakPolarHBondContact CD2-O 3.04Å; Y47-Q51 WeakPolarHBondContact CE2-O 3.11Å; Y47-M366 HydrophobicContact CE1-SD 4.16Å; Y47-W445 VanDerWaalsContact CB-CZ2 3.49Å; Y47-W445 AromaticContact CD2-CE2 3.96Å; Y47-W445 AromaticContact CD2-CZ2 3.63Å; Y47-W445 HydrophobicContact CD2-CZ2 3.63Å; Y47-W445 AromaticContact CD2-NE1 3.79Å; Y47-W445 HydrophobicContact CG-CH2 4.47Å; Y47-W445 AromaticContact CG-CZ2 3.69Å; Y47-W445 HydrophobicContact CG-CZ2 3.69Å; Y47-C446 CarbonylContact C-O 3.5Å; Y47-C446 WeakPolarHBondContact CA-O 3.36Å; Y47-C446 WeakPolarHBondContact CB-O 3.26Å; Y47-F447 HydrophobicContact CD1-CD2 4.42Å
48Q92Very high88.5Confident39 Ų3966.1 Ų66.118%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-144.1138.3179.4-17766.629.600110.6F42 Y438 W445 C446F42-Q48 HydrophobicContact CE1-CB 3.85Å; F42-Q48 HydrophobicContact CZ-CB 3.58Å; F42-Q48 HydrophobicContact CZ-CG 4.47Å; Q48-Y438 HydrophobicContact CB-CD1 4.42Å; Q48-Y438 HydrophobicContact CB-CD2 4.43Å; Q48-Y438 HydrophobicContact CB-CE1 4.28Å; Q48-Y438 HydrophobicContact CB-CE2 4.29Å; Q48-Y438 HydrophobicContact CB-CG 4.5Å; Q48-Y438 HydrophobicContact CG-CD1 3.79Å; Q48-Y438 HydrophobicContact CG-CD2 4.23Å; Q48-Y438 HydrophobicContact CG-CE1 3.24Å; Q48-Y438 HydrophobicContact CG-CE2 3.75Å; Q48-Y438 HydrophobicContact CG-CG 4.26Å; Q48-Y438 PolarHBondContact NE2-OH 2.78Å; Q48-W445 CarbonylContact O-C 3.59Å; Q48-W445 WeakPolarHBondContact O-CA 3.23Å; Q48-C446 PolarHBondContact N-O 2.94Å; Q48-C446 PolarHBondContact O-N 3.47Å
49P90.7Very high89.1Confident12 Ų1256 Ų568%0.07830%0.295CS..SBendcis-56155.4-9.126.6-36.8000113.7Y47 Q51 A58 D444 W445Y47-P49 VanDerWaalsContact CD2-O 3.29Å; Y47-P49 WeakPolarHBondContact CD2-O 3.04Å; P49-Q51 HydrophobicContact CB-CB 4.41Å; P49-Q51 HydrophobicContact CB-CG 4.39Å; P49-Q51 HydrophobicContact CG-CB 4.41Å; P49-Q51 PolarHBondContact O-N 3.16Å; P49-A58 HydrophobicContact CG-CB 3.86Å; P49-D444 WeakPolarHBondContact CD-O 3.39Å; P49-W445 PolarHBondContact O-NE1 3.09Å
50K89.7Confident89Confident149 Ų14954.7 Ų54.765%0.64829%0.286SS*.SBendtrans-69.951.1174.9-65.9-173.1179.6-176.70111.5
51Q86.5Confident88.6Confident76 Ų7655 Ų5536%0.35529%0.294SS..SBendtrans-137.6160.6-178.2-66.6-61.9-17.700107.4Y47 P49 N55 W445Y47-Q51 WeakPolarHBondContact CE2-O 3.11Å; P49-Q51 HydrophobicContact CB-CB 4.41Å; P49-Q51 HydrophobicContact CB-CG 4.39Å; P49-Q51 HydrophobicContact CG-CB 4.41Å; P49-Q51 PolarHBondContact O-N 3.16Å; Q51-N55 HydrophobicContact CB-CB 4.23Å; Q51-N55 PolarHBondContact OE1-ND2 2.94Å; Q51-W445 PolarHBondContact O-NE1 3.17Å
52L86Confident87.9Confident94 Ų9454 Ų5449%0.49229%0.287SS..  trans-64.2149.3172.7-62.8174.8000110S54 N55 A58L52-S54 PolarHBondContact O-N 3.31Å; L52-N55 PolarHBondContact N-ND2 2.89Å; L52-N55 VanDerWaalsContact O-CB 3.31Å; L52-N55 WeakPolarHBondContact O-CB 3.43Å; L52-N55 PolarHBondContact O-N 3.28Å; L52-A58 WeakPolarHBondContact O-CB 3.03Å
53E88.8Confident86.9Confident12 Ų1255.5 Ų55.56%0.05630%0.295CS..THydrogen-bonded Turntrans-55.6-38.5179.4-171-178.2-173.700112.7N55 A58 S59 F404 W445 H455 S457E53-N55 VanDerWaalsContact C-N 3.26Å; E53-N55 PolarHBondContact O-N 3.06Å; E53-A58 WeakPolarHBondContact O-CB 3.33Å; E53-S59 WeakPolarHBondContact O-CB 3.29Å; E53-S59 PolarHBondContact O-N 3.41Å; E53-F404 HydrophobicContact CB-CE2 4.15Å; E53-F404 HydrophobicContact CG-CD2 3.85Å; E53-F404 HydrophobicContact CG-CE1 4.44Å; E53-F404 HydrophobicContact CG-CE2 3.6Å; E53-F404 HydrophobicContact CG-CG 4.39Å; E53-F404 HydrophobicContact CG-CZ 3.91Å; E53-F404 VanDerWaalsContact OE1-CD2 3.3Å; E53-F404 WeakPolarHBondContact OE1-CD2 3.31Å; E53-F404 VanDerWaalsContact OE1-CG 3.29Å; E53-F404 WeakPolarHBondContact OE1-CG 3.14Å; E53-W445 HydrophobicContact CB-CD2 3.91Å; E53-W445 HydrophobicContact CB-CE3 4.03Å; E53-W445 HydrophobicContact CB-CG 4.34Å; E53-W445 HydrophobicContact CB-CH2 4.46Å; E53-W445 HydrophobicContact CB-CZ2 4.34Å; E53-W445 HydrophobicContact CB-CZ3 4.29Å; E53-W445 HydrophobicContact CG-CB 4.43Å; E53-W445 HydrophobicContact CG-CD2 3.93Å; E53-W445 HydrophobicContact CG-CE3 3.79Å; E53-W445 HydrophobicContact CG-CG 4.22Å; E53-W445 HydrophobicContact CG-CZ3 4.33Å; E53-H455 IonicContact OE1-NE2 2.68Å; E53-H455 PolarHBondContact OE1-NE2 3.47Å; E53-H455 VanDerWaalsContact OE1-NE2 3.14Å; E53-H455 IonicContact OE2-NE2 3.16Å; E53-S457 VanDerWaalsContact CG-OG 3.3Å; E53-S457 WeakPolarHBondContact CG-OG 3.44Å; E53-S457 WeakPolarHBondContact OE1-CB 3.16Å; E53-S457 PolarHBondContact OE1-OG 3.08Å
54S86.6Confident85.7Confident49 Ų4955 Ų5534%0.34329%0.292SS..THydrogen-bonded Turntrans-73.9-8.3178.661.20000115L52 G60L52-S54 PolarHBondContact O-N 3.31Å; S54-G60 CarbonylContact C-O 3.55Å; S54-G60 WeakPolarHBondContact CA-O 3.41Å; S54-G60 CarbonylContact O-C 3.5Å
55N85.9Confident84.5Confident54 Ų5457.7 Ų57.729%0.28930%0.296SS..SBendtrans-72.1150.7-179.7-73.7-3.6000110.9Q51 L52 E53 E57 A58 G60Q51-N55 HydrophobicContact CB-CB 4.23Å; Q51-N55 PolarHBondContact OE1-ND2 2.94Å; L52-N55 PolarHBondContact N-ND2 2.89Å; L52-N55 VanDerWaalsContact O-CB 3.31Å; L52-N55 WeakPolarHBondContact O-CB 3.43Å; L52-N55 PolarHBondContact O-N 3.28Å; E53-N55 VanDerWaalsContact C-N 3.26Å; E53-N55 PolarHBondContact O-N 3.06Å; N55-E57 PolarHBondContact O-N 3.37Å; N55-A58 CarbonylContact O-C 3.5Å; N55-A58 WeakPolarHBondContact O-CA 3.41Å; N55-A58 WeakPolarHBondContact O-CB 3.35Å; N55-A58 PolarHBondContact O-N 2.98Å; N55-G60 VanDerWaalsContact O-CA 3.28Å; N55-G60 WeakPolarHBondContact O-CA 3.08Å; N55-G60 PolarHBondContact O-N 3.5Å
56L83.2Confident83.6Confident140 Ų14056.6 Ų56.673%0.73328%0.284SS*.THydrogen-bonded Turntrans-59.1-30.8179.8-173.762.6000113.8A58L56-A58 VanDerWaalsContact C-N 3.3Å
57E80.9Confident82.7Confident132 Ų13256.2 Ų56.262%0.61728%0.282SS*.THydrogen-bonded Turntrans-73.6-20.9175.3-66.2-173.9164.500113.4N55N55-E57 PolarHBondContact O-N 3.37Å
58A87.6Confident81.5Confident0 Ų055 Ų550%028%0.278CS..THydrogen-bonded Turntrans-97.6-128.517800000110P49 L52 E53 N55 L56 G60 W445 K459P49-A58 HydrophobicContact CG-CB 3.86Å; L52-A58 WeakPolarHBondContact O-CB 3.03Å; E53-A58 WeakPolarHBondContact O-CB 3.33Å; N55-A58 CarbonylContact O-C 3.5Å; N55-A58 WeakPolarHBondContact O-CA 3.41Å; N55-A58 WeakPolarHBondContact O-CB 3.35Å; N55-A58 PolarHBondContact O-N 2.98Å; L56-A58 VanDerWaalsContact C-N 3.3Å; A58-G60 VanDerWaalsContact C-N 3.25Å; A58-G60 PolarHBondContact O-N 3.25Å; A58-W445 HydrophobicContact CB-CB 4.25Å; A58-W445 HydrophobicContact CB-CG 4.16Å; A58-K459 WeakPolarHBondContact O-CE 3.42Å; A58-K459 WeakPolarHBondContact O-CG 3.39Å
59S89.1Confident80.6Confident0 Ų058.3 Ų58.30%030%0.297CS..THydrogen-bonded Turntrans-83.90.8-180-61.90000113.2E53 F404 R409 W445 S457 V458 K459E53-S59 WeakPolarHBondContact O-CB 3.29Å; E53-S59 PolarHBondContact O-N 3.41Å; S59-F404 VanDerWaalsContact CB-CE1 3.5Å; S59-R409 PolarHBondContact O-NH1 2.81Å; S59-W445 VanDerWaalsContact OG-CB 3.32Å; S59-W445 WeakPolarHBondContact OG-CB 3.3Å; S59-S457 WeakPolarHBondContact CB-OG 3.41Å; S59-S457 VanDerWaalsContact OG-C 3.22Å; S59-S457 WeakPolarHBondContact OG-CB 3.5Å; S59-S457 PolarHBondContact OG-O 2.73Å; S59-S457 PolarHBondContact OG-OG 3.29Å; S59-V458 PolarHBondContact OG-N 3.29Å; S59-K459 WeakPolarHBondContact O-CA 3.36Å
60G84.8Confident79.9Confident2 Ų264.4 Ų64.42%0.02132%0.324CS..  trans75.8173.3175.500000113.7S54 N55 A58 F404S54-G60 CarbonylContact C-O 3.55Å; S54-G60 WeakPolarHBondContact CA-O 3.41Å; S54-G60 CarbonylContact O-C 3.5Å; N55-G60 VanDerWaalsContact O-CA 3.28Å; N55-G60 WeakPolarHBondContact O-CA 3.08Å; N55-G60 PolarHBondContact O-N 3.5Å; A58-G60 VanDerWaalsContact C-N 3.25Å; A58-G60 PolarHBondContact O-N 3.25Å; G60-F404 WeakPolarHBondContact O-CZ 3.43Å
61P81.5Confident79.2Confident73 Ų7359.9 Ų59.947%0.47431%0.305SS..PPolyproline II helixtrans-64.2155.4-179.128.1-34.8000111.1R409P61-R409 PolarHBondContact O-NH2 3.39Å
62L79.7Confident78.8Confident24 Ų2457 Ų5713%0.12629%0.293CS..PPolyproline II helixtrans-79.7136.2166.9-70.6153.1000109F67 Q138 E403 F404 A407L62-F67 HydrophobicContact CB-CE2 4.21Å; L62-F67 HydrophobicContact CB-CZ 3.9Å; L62-F67 HydrophobicContact CD1-CZ 4.14Å; L62-F67 HydrophobicContact CD2-CZ 4.28Å; L62-F67 HydrophobicContact CG-CZ 4.34Å; L62-Q138 PolarHBondContact O-NE2 2.89Å; L62-E403 HydrophobicContact CD1-CB 3.36Å; L62-E403 HydrophobicContact CD1-CG 4.22Å; L62-E403 WeakPolarHBondContact CD1-OE2 3.28Å; L62-E403 HydrophobicContact CD2-CB 4.41Å; L62-F404 HydrophobicContact CD1-CD2 4.37Å; L62-F404 HydrophobicContact CD1-CE2 4.11Å; L62-F404 HydrophobicContact CD2-CD1 4.17Å; L62-F404 HydrophobicContact CD2-CD2 4.3Å; L62-F404 HydrophobicContact CD2-CE1 4.25Å; L62-F404 HydrophobicContact CD2-CE2 4.36Å; L62-F404 HydrophobicContact CD2-CG 4.2Å; L62-F404 HydrophobicContact CD2-CZ 4.33Å; L62-F404 HydrophobicContact CG-CE1 4.49Å; L62-F404 HydrophobicContact CG-CE2 4.15Å; L62-F404 HydrophobicContact CG-CZ 4.14Å; L62-A407 HydrophobicContact CD2-CB 4.23Å
63D71.5Confident78.5Confident34 Ų3453.4 Ų53.418%0.18227%0.274CS..PPolyproline II helixtrans-96.3146.5174-169.1-31.1000109.5R65 D66 F67D63-R65 PolarHBondContact O-N 2.93Å; D63-R65 VanDerWaalsContact O-N 3.08Å; D63-R65 PolarHBondContact OD1-N 3.2Å; D63-R65 IonicContact OD1-NE 2.71Å; D63-R65 IonicContact OD2-CZ 3.82Å; D63-R65 IonicContact OD2-NE 3.46Å; D63-R65 PolarHBondContact OD2-NE 3.5Å; D63-R65 IonicContact OD2-NH2 2.74Å; D63-R65 PolarHBondContact OD2-NH2 3.03Å; D63-D66 PolarHBondContact N-OD2 2.8Å; D63-D66 VanDerWaalsContact O-CB 3.29Å; D63-D66 WeakPolarHBondContact O-CB 3.47Å; D63-D66 PolarHBondContact O-N 2.73Å; D63-F67 WeakPolarHBondContact O-CD2 3.36Å; D63-F67 WeakPolarHBondContact O-CE2 3.28Å
64T69.5Low78.1Confident81 Ų8157 Ų5750%0.49729%0.29SS..G310 helixtrans-47.7-3416761.20000112.6D66T64-D66 VanDerWaalsContact C-N 3.28Å; T64-D66 PolarHBondContact O-N 3.02Å
65R65.9Low77.8Confident112 Ų11256.9 Ų56.942%0.42328%0.282SS..G310 helixtrans-75.2-9.7179.1-59178.3-65.4-177.8-3114.6D63 H68 R75D63-R65 PolarHBondContact O-N 2.93Å; D63-R65 VanDerWaalsContact O-N 3.08Å; D63-R65 PolarHBondContact OD1-N 3.2Å; D63-R65 IonicContact OD1-NE 2.71Å; D63-R65 IonicContact OD2-CZ 3.82Å; D63-R65 IonicContact OD2-NE 3.46Å; D63-R65 PolarHBondContact OD2-NE 3.5Å; D63-R65 IonicContact OD2-NH2 2.74Å; D63-R65 PolarHBondContact OD2-NH2 3.03Å; R65-H68 PolarHBondContact O-CE1 3.4Å; R65-H68 PolarHBondContact O-NE2 2.68Å; R65-R75 PolarHBondContact O-NH1 3.37Å
66D71Confident77.9Confident2 Ų254.3 Ų54.31%0.01127%0.268CS..G310 helixtrans-82-25.6178.4-71.8-13.6000111.3D63 T64 H68 R75 A407 R409D63-D66 PolarHBondContact N-OD2 2.8Å; D63-D66 VanDerWaalsContact O-CB 3.29Å; D63-D66 WeakPolarHBondContact O-CB 3.47Å; D63-D66 PolarHBondContact O-N 2.73Å; T64-D66 VanDerWaalsContact C-N 3.28Å; T64-D66 PolarHBondContact O-N 3.02Å; D66-H68 PolarHBondContact O-CD2 2.71Å; D66-H68 VanDerWaalsContact O-CD2 3.3Å; D66-H68 PolarHBondContact O-N 3.35Å; D66-R75 IonicContact OD1-CZ 2.72Å; D66-R75 IonicContact OD1-NH1 3.39Å; D66-R75 IonicContact OD1-NH2 3.81Å; D66-R75 PolarHBondContact OD1-NH2 2.78Å; D66-A407 HydrophobicContact CB-CB 3.67Å; D66-A407 WeakPolarHBondContact O-CA 3.41Å; D66-R409 IonicContact OD2-CZ 3.08Å; D66-R409 IonicContact OD2-NE 3.2Å; D66-R409 PolarHBondContact OD2-NE 3.4Å; D66-R409 VanDerWaalsContact OD2-NE 3.13Å; D66-R409 IonicContact OD2-NH2 2.8Å; D66-R409 PolarHBondContact OD2-NH2 3.49Å
67F72.2Confident78.1Confident31 Ų3148.1 Ų48.114%0.13624%0.236CC..  trans-80.3112.8-176.6-58.8-72.8000111.2L62 D63 Y133 P135 E403 Y406L62-F67 HydrophobicContact CB-CE2 4.21Å; L62-F67 HydrophobicContact CB-CZ 3.9Å; L62-F67 HydrophobicContact CD1-CZ 4.14Å; L62-F67 HydrophobicContact CD2-CZ 4.28Å; L62-F67 HydrophobicContact CG-CZ 4.34Å; D63-F67 WeakPolarHBondContact O-CD2 3.36Å; D63-F67 WeakPolarHBondContact O-CE2 3.28Å; F67-Y133 HydrophobicContact CD1-CD1 4.21Å; F67-Y133 AromaticContact CD1-CE1 3.37Å; F67-Y133 HydrophobicContact CD1-CE1 3.37Å; F67-Y133 AromaticContact CE1-CE1 3.35Å; F67-Y133 HydrophobicContact CE1-CE1 3.35Å; F67-Y133 AromaticContact CE1-CZ 3.54Å; F67-Y133 WeakPolarHBondContact CE1-OH 3.34Å; F67-Y133 AromaticContact CG-CE1 4Å; F67-Y133 HydrophobicContact CG-CE1 4Å; F67-Y133 AromaticContact CZ-CE1 3.95Å; F67-Y133 HydrophobicContact CZ-CE1 3.95Å; F67-Y133 VanDerWaalsContact CZ-OH 3.23Å; F67-Y133 WeakPolarHBondContact CZ-OH 3.46Å; F67-P135 HydrophobicContact CB-CG 4.35Å; F67-P135 HydrophobicContact CD2-CB 3.75Å; F67-P135 HydrophobicContact CD2-CG 3.65Å; F67-P135 HydrophobicContact CE2-CB 3.78Å; F67-P135 HydrophobicContact CE2-CG 4.18Å; F67-P135 HydrophobicContact CG-CG 4.07Å; F67-E403 HydrophobicContact CE1-CB 4.26Å; F67-Y406 HydrophobicContact CD1-CD2 4.46Å; F67-Y406 HydrophobicContact CE1-CD2 4.45Å
68H69.2Low78.6Confident39 Ų3943.9 Ų43.918%0.18121%0.214CC..  trans-121125.9-178.9-61-50.8000111.4R65 D66 Q70 N73 P129R65-H68 PolarHBondContact O-CE1 3.4Å; R65-H68 PolarHBondContact O-NE2 2.68Å; D66-H68 PolarHBondContact O-CD2 2.71Å; D66-H68 VanDerWaalsContact O-CD2 3.3Å; D66-H68 PolarHBondContact O-N 3.35Å; H68-Q70 VanDerWaalsContact C-N 3.32Å; H68-N73 WeakPolarHBondContact CB-ND2 3.49Å; H68-N73 PolarHBondContact CD2-ND2 2.79Å; H68-N73 VanDerWaalsContact CG-ND2 3.26Å; H68-P129 WeakPolarHBondContact O-CD 3.35Å; H68-P129 WeakPolarHBondContact O-CG 3.46Å
69N72.8Confident78.9Confident108 Ų10844 Ų4458%0.57822%0.215SC*.SBendtrans-86.2-5.7-177.6-65.4-17.7000113.5K128N69-K128 WeakPolarHBondContact O-CE 3.33Å
70Q74.5Confident78.8Confident140 Ų14046.8 Ų46.865%0.65423%0.23SC*.SBendtrans-143.7144.4-173.9-63.4-179.80.800110.6H68H68-Q70 VanDerWaalsContact C-N 3.32Å
71F75.1Confident79.1Confident54 Ų5447.7 Ų47.724%0.23724%0.236CC..SBendtrans-119.5153.2163.376.1-76.3000108.4E90 W93 W126F71-E90 HydrophobicContact CD1-CG 4.44Å; F71-E90 HydrophobicContact CE1-CG 3.73Å; F71-E90 HydrophobicContact CE2-CG 4.34Å; F71-E90 HydrophobicContact CZ-CG 3.67Å; F71-W93 AromaticContact CD2-NE1 3.94Å; F71-W126 HydrophobicContact CB-CD2 4.37Å; F71-W126 HydrophobicContact CB-CE3 3.96Å; F71-W126 HydrophobicContact CB-CH2 3.83Å; F71-W126 HydrophobicContact CB-CZ2 4.23Å; F71-W126 HydrophobicContact CB-CZ3 3.71Å; F71-W126 AromaticContact CD1-CE3 3.99Å; F71-W126 HydrophobicContact CD1-CE3 3.99Å; F71-W126 AromaticContact CD1-CH2 3.39Å; F71-W126 HydrophobicContact CD1-CH2 3.39Å; F71-W126 AromaticContact CD1-CZ3 3.06Å; F71-W126 HydrophobicContact CD1-CZ3 3.06Å; F71-W126 HydrophobicContact CE1-CH2 4.31Å; F71-W126 AromaticContact CE1-CZ3 3.77Å; F71-W126 HydrophobicContact CE1-CZ3 3.77Å; F71-W126 HydrophobicContact CG-CE3 4.09Å; F71-W126 HydrophobicContact CG-CH2 4.01Å; F71-W126 AromaticContact CG-CZ3 3.59Å; F71-W126 HydrophobicContact CG-CZ3 3.59Å
72P79.3Confident79.4Confident16 Ų1649.9 Ų49.910%0.10425%0.25CS..SBendcis-69.5160.1-1034.1-40.3000112.1W93 W523 Y663P72-W93 HydrophobicContact CB-CE3 4.19Å; P72-W93 HydrophobicContact CB-CH2 3.38Å; P72-W93 HydrophobicContact CB-CZ2 3.83Å; P72-W93 HydrophobicContact CB-CZ3 3.58Å; P72-W93 HydrophobicContact CG-CH2 4.43Å; P72-W523 HydrophobicContact CB-CB 4.35Å; P72-W523 HydrophobicContact CB-CD2 3.48Å; P72-W523 VanDerWaalsContact CB-CD2 3.48Å; P72-W523 HydrophobicContact CB-CE3 3.62Å; P72-W523 HydrophobicContact CB-CG 3.81Å; P72-W523 HydrophobicContact CB-CZ2 4.47Å; P72-W523 HydrophobicContact CB-CZ3 4.17Å; P72-W523 HydrophobicContact CG-CD2 3.48Å; P72-W523 VanDerWaalsContact CG-CD2 3.48Å; P72-W523 HydrophobicContact CG-CE3 3.86Å; P72-W523 HydrophobicContact CG-CG 4.02Å; P72-W523 HydrophobicContact CG-CH2 3.97Å; P72-W523 HydrophobicContact CG-CZ2 3.64Å; P72-W523 HydrophobicContact CG-CZ3 4.09Å; P72-W523 VanDerWaalsContact O-CZ3 3.31Å; P72-W523 WeakPolarHBondContact O-CZ3 3.36Å; P72-Y663 VanDerWaalsContact CD-CZ 3.47Å; P72-Y663 HydrophobicContact CG-CD1 3.52Å; P72-Y663 HydrophobicContact CG-CD2 4.36Å; P72-Y663 HydrophobicContact CG-CE1 3.65Å; P72-Y663 HydrophobicContact CG-CE2 4.45Å; P72-Y663 HydrophobicContact CG-CG 3.9Å
73N79.9Confident79.8Confident19 Ų1955 Ų5510%0.10227%0.269CS..  trans-139.1164.3175.375.242.9000110.7H68 R75 L76H68-N73 WeakPolarHBondContact CB-ND2 3.49Å; H68-N73 PolarHBondContact CD2-ND2 2.79Å; H68-N73 VanDerWaalsContact CG-ND2 3.26Å; N73-R75 PolarHBondContact O-N 3.09Å; N73-R75 VanDerWaalsContact O-N 3.15Å; N73-R75 WeakPolarHBondContact OD1-CA 3.28Å; N73-R75 PolarHBondContact OD1-N 3.05Å; N73-L76 WeakPolarHBondContact ND2-CD1 3.3Å; N73-L76 WeakPolarHBondContact ND2-CG 3.38Å; N73-L76 PolarHBondContact O-N 3.2Å; N73-L76 VanDerWaalsContact OD1-CG 3.31Å; N73-L76 WeakPolarHBondContact OD1-CG 3.43Å; N73-L76 PolarHBondContact OD1-N 2.98Å
74K79.3Confident80.9Confident88 Ų8853.8 Ų53.838%0.38326%0.262SS..THydrogen-bonded Turntrans-65.1-15.3-176.2-64-177.9-178.2177.80114.4P525 E593K74-P525 VanDerWaalsContact CE-CD 3.48Å; K74-P525 VanDerWaalsContact CE-CG 3.49Å; K74-E593 IonicContact NZ-OE2 3.68Å; K74-E593 PolarHBondContact NZ-OE2 3.13Å
75R80.8Confident82.1Confident45 Ų4552 Ų5217%0.1725%0.249CC..THydrogen-bonded Turntrans-98.5-21.9-177.7-70.3-173.460.3158.6-5.2113R65 D66 N73R65-R75 PolarHBondContact O-NH1 3.37Å; D66-R75 IonicContact OD1-CZ 2.72Å; D66-R75 IonicContact OD1-NH1 3.39Å; D66-R75 IonicContact OD1-NH2 3.81Å; D66-R75 PolarHBondContact OD1-NH2 2.78Å; N73-R75 PolarHBondContact O-N 3.09Å; N73-R75 VanDerWaalsContact O-N 3.15Å; N73-R75 WeakPolarHBondContact OD1-CA 3.28Å; N73-R75 PolarHBondContact OD1-N 3.05Å
76L87.6Confident83.5Confident1 Ų147.7 Ų47.71%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-93.8139.5177.9-61.4174.6000110N73 W93 M94 T95 W126N73-L76 WeakPolarHBondContact ND2-CD1 3.3Å; N73-L76 WeakPolarHBondContact ND2-CG 3.38Å; N73-L76 PolarHBondContact O-N 3.2Å; N73-L76 VanDerWaalsContact OD1-CG 3.31Å; N73-L76 WeakPolarHBondContact OD1-CG 3.43Å; N73-L76 PolarHBondContact OD1-N 2.98Å; L76-W93 HydrophobicContact CB-CB 4.33Å; L76-W93 HydrophobicContact CB-CE3 3.92Å; L76-W93 HydrophobicContact CD1-CB 4.24Å; L76-M94 CarbonylContact C-O 3.49Å; L76-M94 WeakPolarHBondContact CA-O 2.97Å; L76-T95 HydrophobicContact CD2-CG2 4.43Å; L76-W126 HydrophobicContact CD1-CB 4.16Å; L76-W126 VanDerWaalsContact CD1-CD1 3.41Å; L76-W126 HydrophobicContact CD1-CD2 3.95Å; L76-W126 HydrophobicContact CD1-CG 3.53Å; L76-W126 HydrophobicContact CD2-CG 4.44Å
77V88.6Confident84.5Confident9 Ų950.7 Ų50.76%0.05525%0.25CC..EExtended strand (participates in β ladder)trans-118.1141.1177.5-179.80000107.3M94 K96 H521V77-M94 PolarHBondContact N-O 3.48Å; V77-M94 PolarHBondContact O-N 3.11Å; V77-M94 VanDerWaalsContact O-N 3.09Å; V77-K96 HydrophobicContact CG2-CB 4.26Å; V77-H521 HydrophobicContact CG1-CB 3.5Å
78R91.3Very high85.4Confident44 Ų4451.4 Ų51.417%0.16626%0.258CS..EExtended strand (participates in β ladder)trans-81.8138177.8-167.3173.2-176.1-94.3-7.7110.3D80 E89 R92 W93 H521R78-D80 IonicContact CZ-OD1 3.77Å; R78-D80 IonicContact CZ-OD2 3.43Å; R78-D80 IonicContact NH1-OD1 2.64Å; R78-D80 PolarHBondContact NH1-OD1 3.32Å; R78-D80 IonicContact NH1-OD2 2.91Å; R78-D80 PolarHBondContact NH1-OD2 3.04Å; R78-D80 IonicContact NH2-OD1 3.58Å; R78-E89 IonicContact CZ-OE1 2.68Å; R78-E89 VanDerWaalsContact CZ-OE1 3.26Å; R78-E89 IonicContact CZ-OE2 3.46Å; R78-E89 IonicContact NE-OE1 3.05Å; R78-E89 PolarHBondContact NE-OE1 3.38Å; R78-E89 IonicContact NH2-OE1 2.75Å; R78-E89 PolarHBondContact NH2-OE1 2.98Å; R78-E89 IonicContact NH2-OE2 2.98Å; R78-E89 PolarHBondContact NH2-OE2 3.47Å; R78-R92 CarbonylContact C-O 3.59Å; R78-R92 WeakPolarHBondContact CA-O 3.36Å; R78-R92 HydrophobicContact CG-CB 4.07Å; R78-W93 HydrophobicContact CB-CD2 4.31Å; R78-W93 HydrophobicContact CB-CE3 4.29Å; R78-W93 HydrophobicContact CB-CH2 4.1Å; R78-W93 HydrophobicContact CB-CZ2 4.12Å; R78-W93 HydrophobicContact CB-CZ3 4.19Å; R78-W93 HydrophobicContact CG-CZ2 4.28Å; R78-H521 PolarHBondContact N-O 3.09Å; R78-H521 WeakPolarHBondContact O-CB 3.33Å
79V92.9Very high86.4Confident1 Ų152.8 Ų52.81%0.00627%0.265CS..  trans-100112.5175.7-171.70000109.8I84 F86 R92 M94 R99 L102 I103V79-I84 HydrophobicContact CG1-CD1 4.4Å; V79-F86 HydrophobicContact CB-CE1 4.38Å; V79-F86 HydrophobicContact CB-CE2 4.47Å; V79-F86 HydrophobicContact CB-CZ 3.72Å; V79-F86 HydrophobicContact CG1-CE2 4.42Å; V79-F86 HydrophobicContact CG1-CZ 3.76Å; V79-R92 WeakPolarHBondContact CG2-O 3.32Å; V79-R92 PolarHBondContact N-O 2.81Å; V79-M94 HydrophobicContact CB-CE 4.45Å; V79-M94 HydrophobicContact CG2-CE 3.57Å; V79-M94 HydrophobicContact CG2-CG 3.76Å; V79-M94 HydrophobicContact CG2-SD 3.54Å; V79-M94 VanDerWaalsContact CG2-SD 3.54Å; V79-R99 HydrophobicContact CG1-CG 4.45Å; V79-R99 HydrophobicContact CG2-CB 3.85Å; V79-R99 HydrophobicContact CG2-CG 3.65Å; V79-L102 HydrophobicContact CG1-CD2 4.41Å; V79-I103 HydrophobicContact CG1-CG1 4.29Å
80D87.5Confident87.2Confident59 Ų5951.1 Ų51.132%0.31625%0.253SS..  trans-11193.6172.8-75.1-48.7000110.2R78 R92R78-D80 IonicContact CZ-OD1 3.77Å; R78-D80 IonicContact CZ-OD2 3.43Å; R78-D80 IonicContact NH1-OD1 2.64Å; R78-D80 PolarHBondContact NH1-OD1 3.32Å; R78-D80 IonicContact NH1-OD2 2.91Å; R78-D80 PolarHBondContact NH1-OD2 3.04Å; R78-D80 IonicContact NH2-OD1 3.58Å; D80-R92 IonicContact OD1-NH1 3.14Å; D80-R92 PolarHBondContact OD1-NH1 3.26Å
81S90.4Very high88.1Confident22 Ų2244.5 Ų44.515%0.15422%0.223CC..  trans-125.9128.9174.4177.70000110Y83 I84S81-Y83 PolarHBondContact O-N 3.32Å; S81-Y83 PolarHBondContact OG-N 3.01Å; S81-I84 PolarHBondContact O-N 2.74Å
82P88.1Confident88.9Confident119 Ų11945.2 Ų45.277%0.77322%0.224SC*.THydrogen-bonded Turntrans-69.8-12.3175.330.5-35.4000112.9
83Y89Confident89.6Confident131 Ų13144.4 Ų44.451%0.51422%0.219SC..THydrogen-bonded Turntrans-95.7-2.6-178.4-54.8-65.2000113.6S81S81-Y83 PolarHBondContact O-N 3.32Å; S81-Y83 PolarHBondContact OG-N 3.01Å
84I94.5Very high90.2Very high9 Ų943.5 Ų43.55%0.04621%0.214CC..EExtended strand (participates in β ladder)trans-120.1127.7-178.6-52.8176000108.5V79 S81 F86 L102 S106 L120 V122V79-I84 HydrophobicContact CG1-CD1 4.4Å; S81-I84 PolarHBondContact O-N 2.74Å; I84-F86 HydrophobicContact CB-CD2 4.45Å; I84-F86 HydrophobicContact CB-CE2 3.74Å; I84-F86 HydrophobicContact CB-CZ 4.03Å; I84-F86 HydrophobicContact CD1-CZ 4.38Å; I84-F86 HydrophobicContact CG2-CD1 4.49Å; I84-F86 HydrophobicContact CG2-CD2 4.08Å; I84-F86 HydrophobicContact CG2-CE1 4.02Å; I84-F86 HydrophobicContact CG2-CE2 3.56Å; I84-F86 HydrophobicContact CG2-CZ 3.52Å; I84-L102 HydrophobicContact CD1-CD1 4.45Å; I84-L102 HydrophobicContact CD1-CD2 4.16Å; I84-L102 HydrophobicContact CD1-CG 3.9Å; I84-S106 WeakPolarHBondContact CG1-OG 3.29Å; I84-L120 HydrophobicContact CG1-CD2 4.34Å; I84-V122 HydrophobicContact CG2-CB 4.4Å; I84-V122 HydrophobicContact CG2-CG2 3.56Å
85I94.1Very high90.7Very high43 Ų4339.4 Ų39.422%0.22120%0.196CC..EExtended strand (participates in β ladder)trans-95127.4172.5-66.8168.9000107.9I119 L120 R121 V122 I416 Y420I85-I119 HydrophobicContact CD1-CB 4.33Å; I85-I119 HydrophobicContact CD1-CD1 4.21Å; I85-I119 HydrophobicContact CD1-CG2 3.67Å; I85-I119 HydrophobicContact CG1-CG2 3.96Å; I85-L120 PolarHBondContact N-O 3.28Å; I85-R121 HydrophobicContact CG2-CG 4.33Å; I85-R121 CarbonylContact O-C 3.57Å; I85-R121 VanDerWaalsContact O-CA 3.25Å; I85-R121 WeakPolarHBondContact O-CA 3.41Å; I85-V122 PolarHBondContact O-N 3.36Å; I85-I416 HydrophobicContact CB-CD1 4.4Å; I85-I416 HydrophobicContact CD1-CD1 3.51Å; I85-I416 HydrophobicContact CD1-CG1 4.44Å; I85-I416 HydrophobicContact CG2-CD1 4.43Å; I85-Y420 HydrophobicContact CD1-CE1 3.98Å
86F95.3Very high90.9Very high22 Ų2238.2 Ų38.210%0.09619%0.192CC..EExtended strand (participates in β ladder)trans-108.9135.5177.3-65.5-89.4000109.9V79 I84 A91 R92 M94 L102 V122V79-F86 HydrophobicContact CB-CE1 4.38Å; V79-F86 HydrophobicContact CB-CE2 4.47Å; V79-F86 HydrophobicContact CB-CZ 3.72Å; V79-F86 HydrophobicContact CG1-CE2 4.42Å; V79-F86 HydrophobicContact CG1-CZ 3.76Å; I84-F86 HydrophobicContact CB-CD2 4.45Å; I84-F86 HydrophobicContact CB-CE2 3.74Å; I84-F86 HydrophobicContact CB-CZ 4.03Å; I84-F86 HydrophobicContact CD1-CZ 4.38Å; I84-F86 HydrophobicContact CG2-CD1 4.49Å; I84-F86 HydrophobicContact CG2-CD2 4.08Å; I84-F86 HydrophobicContact CG2-CE1 4.02Å; I84-F86 HydrophobicContact CG2-CE2 3.56Å; I84-F86 HydrophobicContact CG2-CZ 3.52Å; F86-A91 HydrophobicContact CB-CB 4.46Å; F86-A91 HydrophobicContact CD1-CB 4.23Å; F86-A91 VanDerWaalsContact CD1-O 3.26Å; F86-A91 WeakPolarHBondContact CD1-O 3.35Å; F86-A91 WeakPolarHBondContact CE1-O 3.3Å; F86-R92 HydrophobicContact CB-CG 3.82Å; F86-R92 HydrophobicContact CD1-CB 4.44Å; F86-R92 HydrophobicContact CD1-CG 3.84Å; F86-R92 HydrophobicContact CD2-CG 3.79Å; F86-R92 HydrophobicContact CE1-CG 4.34Å; F86-R92 HydrophobicContact CE2-CG 4.29Å; F86-R92 HydrophobicContact CG-CG 3.54Å; F86-M94 HydrophobicContact CE1-CE 4.35Å; F86-L102 HydrophobicContact CE1-CD2 4.25Å; F86-L102 HydrophobicContact CZ-CD2 4.3Å; F86-V122 HydrophobicContact CD1-CB 3.64Å; F86-V122 HydrophobicContact CD1-CG1 3.91Å; F86-V122 HydrophobicContact CD1-CG2 4.16Å; F86-V122 HydrophobicContact CE1-CB 3.84Å; F86-V122 HydrophobicContact CE1-CG1 4.06Å; F86-V122 HydrophobicContact CE1-CG2 3.85Å; F86-V122 HydrophobicContact CG-CB 4.5Å
87D92.7Very high90.9Very high65 Ų6538.5 Ų38.535%0.34820%0.195SC..SBendtrans-72.6-27.9-179.6-85.4-1.9000114.6R121 V122D87-R121 IonicContact OD1-CZ 3.53Å; D87-R121 IonicContact OD1-NE 2.6Å; D87-R121 PolarHBondContact OD1-NE 2.71Å; D87-R121 IonicContact OD1-NH2 2.79Å; D87-R121 PolarHBondContact OD1-NH2 3.19Å; D87-R121 IonicContact OD2-CZ 3.02Å; D87-R121 IonicContact OD2-NE 3.26Å; D87-R121 PolarHBondContact OD2-NE 3.38Å; D87-R121 IonicContact OD2-NH2 3.2Å; D87-R121 PolarHBondContact OD2-NH2 3.36Å; D87-V122 PolarHBondContact N-O 3.46Å
88S91.3Very high91.1Very high46 Ų4638 Ų3832%0.32219%0.193SC..SBendtrans-144.7168.1178.680.50000110.6E90 A91S88-E90 VanDerWaalsContact C-N 3.31Å; S88-E90 WeakPolarHBondContact CB-OE2 3.29Å; S88-E90 PolarHBondContact OG-N 2.87Å; S88-E90 PolarHBondContact OG-OE2 3.41Å; S88-A91 PolarHBondContact O-N 3.3Å; S88-A91 PolarHBondContact OG-N 2.93Å; S88-A91 VanDerWaalsContact OG-N 3.12Å
89E88.8Confident91.2Very high68 Ų6836.3 Ų36.332%0.31819%0.186SC..SBendtrans-68.9-35.2174.3-177.456.3-151.400110.7R78 A91 R92R78-E89 IonicContact CZ-OE1 2.68Å; R78-E89 VanDerWaalsContact CZ-OE1 3.26Å; R78-E89 IonicContact CZ-OE2 3.46Å; R78-E89 IonicContact NE-OE1 3.05Å; R78-E89 PolarHBondContact NE-OE1 3.38Å; R78-E89 IonicContact NH2-OE1 2.75Å; R78-E89 PolarHBondContact NH2-OE1 2.98Å; R78-E89 IonicContact NH2-OE2 2.98Å; R78-E89 PolarHBondContact NH2-OE2 3.47Å; E89-A91 VanDerWaalsContact C-N 3.28Å; E89-A91 PolarHBondContact O-N 3.36Å; E89-R92 WeakPolarHBondContact O-CB 3.43Å; E89-R92 PolarHBondContact O-N 3.14Å; E89-R92 VanDerWaalsContact O-N 3.14Å; E89-R92 WeakPolarHBondContact OE2-CD 3.4Å; E89-R92 IonicContact OE2-NE 3.82Å; E89-R92 PolarHBondContact OE2-NE 2.96Å
90E89.5Confident91.1Very high72 Ų7239.4 Ų39.434%0.33620%0.202SC..G310 helixtrans-59.6-38.7174.1-60.878.6-172.900111.8F71 S88 R92 W93 W126F71-E90 HydrophobicContact CD1-CG 4.44Å; F71-E90 HydrophobicContact CE1-CG 3.73Å; F71-E90 HydrophobicContact CE2-CG 4.34Å; F71-E90 HydrophobicContact CZ-CG 3.67Å; S88-E90 VanDerWaalsContact C-N 3.31Å; S88-E90 WeakPolarHBondContact CB-OE2 3.29Å; S88-E90 PolarHBondContact OG-N 2.87Å; S88-E90 PolarHBondContact OG-OE2 3.41Å; E90-R92 PolarHBondContact O-N 2.53Å; E90-R92 VanDerWaalsContact O-N 3.08Å; E90-W93 PolarHBondContact O-N 3.21Å; E90-W126 HydrophobicContact CB-CE3 4.19Å; E90-W126 HydrophobicContact CB-CZ3 4.46Å; E90-W126 HydrophobicContact CG-CE3 4.43Å; E90-W126 HydrophobicContact CG-CZ3 4.21Å
91A93.4Very high91.4Very high1 Ų139.1 Ų39.11%0.00820%0.197CC..G310 helixtrans-63.7-15.3179.600000113.4F86 S88 E89 V122 S125F86-A91 HydrophobicContact CB-CB 4.46Å; F86-A91 HydrophobicContact CD1-CB 4.23Å; F86-A91 VanDerWaalsContact CD1-O 3.26Å; F86-A91 WeakPolarHBondContact CD1-O 3.35Å; F86-A91 WeakPolarHBondContact CE1-O 3.3Å; S88-A91 PolarHBondContact O-N 3.3Å; S88-A91 PolarHBondContact OG-N 2.93Å; S88-A91 VanDerWaalsContact OG-N 3.12Å; E89-A91 VanDerWaalsContact C-N 3.28Å; E89-A91 PolarHBondContact O-N 3.36Å; A91-V122 HydrophobicContact CB-CG1 4.35Å; A91-S125 WeakPolarHBondContact O-CB 3.44Å
92R93.9Very high91.6Very high69 Ų6938.1 Ų38.126%0.2619%0.19SC..G310 helixtrans-80.7-17.9175-61.9-179.8-176.8-121-1.9113.2R78 V79 D80 F86 E89 E90R78-R92 CarbonylContact C-O 3.59Å; R78-R92 WeakPolarHBondContact CA-O 3.36Å; R78-R92 HydrophobicContact CG-CB 4.07Å; V79-R92 WeakPolarHBondContact CG2-O 3.32Å; V79-R92 PolarHBondContact N-O 2.81Å; D80-R92 IonicContact OD1-NH1 3.14Å; D80-R92 PolarHBondContact OD1-NH1 3.26Å; F86-R92 HydrophobicContact CB-CG 3.82Å; F86-R92 HydrophobicContact CD1-CB 4.44Å; F86-R92 HydrophobicContact CD1-CG 3.84Å; F86-R92 HydrophobicContact CD2-CG 3.79Å; F86-R92 HydrophobicContact CE1-CG 4.34Å; F86-R92 HydrophobicContact CE2-CG 4.29Å; F86-R92 HydrophobicContact CG-CG 3.54Å; E89-R92 WeakPolarHBondContact O-CB 3.43Å; E89-R92 PolarHBondContact O-N 3.14Å; E89-R92 VanDerWaalsContact O-N 3.14Å; E89-R92 WeakPolarHBondContact OE2-CD 3.4Å; E89-R92 IonicContact OE2-NE 3.82Å; E89-R92 PolarHBondContact OE2-NE 2.96Å; E90-R92 PolarHBondContact O-N 2.53Å; E90-R92 VanDerWaalsContact O-N 3.08Å
93W92.8Very high91.9Very high0 Ų035.4 Ų35.40%017%0.168CC..EExtended strand (participates in β ladder)trans-91.3131-177.2-65.486.9000110.1F71 P72 L76 R78 E90 S125 W126 W523 Y663 I665F71-W93 AromaticContact CD2-NE1 3.94Å; P72-W93 HydrophobicContact CB-CE3 4.19Å; P72-W93 HydrophobicContact CB-CH2 3.38Å; P72-W93 HydrophobicContact CB-CZ2 3.83Å; P72-W93 HydrophobicContact CB-CZ3 3.58Å; P72-W93 HydrophobicContact CG-CH2 4.43Å; L76-W93 HydrophobicContact CB-CB 4.33Å; L76-W93 HydrophobicContact CB-CE3 3.92Å; L76-W93 HydrophobicContact CD1-CB 4.24Å; R78-W93 HydrophobicContact CB-CD2 4.31Å; R78-W93 HydrophobicContact CB-CE3 4.29Å; R78-W93 HydrophobicContact CB-CH2 4.1Å; R78-W93 HydrophobicContact CB-CZ2 4.12Å; R78-W93 HydrophobicContact CB-CZ3 4.19Å; R78-W93 HydrophobicContact CG-CZ2 4.28Å; E90-W93 PolarHBondContact O-N 3.21Å; W93-S125 PolarHBondContact O-OG 2.88Å; W93-W126 HydrophobicContact CB-CB 4.18Å; W93-W126 WeakPolarHBondContact O-CB 3.27Å; W93-W126 PolarHBondContact O-N 2.9Å; W93-W126 VanDerWaalsContact O-N 3.17Å; W93-W523 HydrophobicContact CH2-CB 3.85Å; W93-W523 HydrophobicContact CH2-CG 4.26Å; W93-W523 HydrophobicContact CZ3-CB 3.85Å; W93-Y663 AromaticContact CZ2-CD2 3.9Å; W93-Y663 HydrophobicContact CZ2-CD2 3.9Å; W93-Y663 HydrophobicContact CZ2-CE2 4.38Å; W93-I665 HydrophobicContact CH2-CG2 4.49Å
94M92.2Very high92Very high0 Ų032.8 Ų32.80%016%0.16CC..EExtended strand (participates in β ladder)trans-160.6168.9176.860.6-165.269.200111L76 V77 V79 F86 C98 R99 L102 S125 G408 V411L76-M94 CarbonylContact C-O 3.49Å; L76-M94 WeakPolarHBondContact CA-O 2.97Å; V77-M94 PolarHBondContact N-O 3.48Å; V77-M94 PolarHBondContact O-N 3.11Å; V77-M94 VanDerWaalsContact O-N 3.09Å; V79-M94 HydrophobicContact CB-CE 4.45Å; V79-M94 HydrophobicContact CG2-CE 3.57Å; V79-M94 HydrophobicContact CG2-CG 3.76Å; V79-M94 HydrophobicContact CG2-SD 3.54Å; V79-M94 VanDerWaalsContact CG2-SD 3.54Å; F86-M94 HydrophobicContact CE1-CE 4.35Å; M94-C98 HydrophobicContact CB-CB 3.99Å; M94-C98 HydrophobicContact CG-CB 4.09Å; M94-C98 HydrophobicContact SD-CB 4.17Å; M94-R99 HydrophobicContact CG-CB 3.91Å; M94-R99 VanDerWaalsContact SD-CA 3.51Å; M94-R99 HydrophobicContact SD-CB 4.12Å; M94-R99 PolarHBondContact SD-N 2.9Å; M94-R99 VanDerWaalsContact SD-N 3.44Å; M94-L102 HydrophobicContact CE-CD2 3.47Å; M94-L102 VanDerWaalsContact CE-CD2 3.47Å; M94-L102 HydrophobicContact SD-CB 4.25Å; M94-L102 HydrophobicContact SD-CD2 3.67Å; M94-S125 WeakPolarHBondContact CB-OG 3.4Å; M94-S125 VanDerWaalsContact CE-OG 3.28Å; M94-S125 WeakPolarHBondContact CE-OG 3.39Å; M94-G408 CarbonylContact C-O 3.58Å; M94-G408 WeakPolarHBondContact CA-O 3.46Å; M94-G408 WeakPolarHBondContact CB-O 3.46Å; M94-V411 HydrophobicContact CE-CG1 3.8Å; M94-V411 HydrophobicContact SD-CG1 4.24Å
95T90.2Very high92.1Very high2 Ų232.4 Ų32.41%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-63.715817361.80000111.6L76 G97 C98 R99 G408 R409 D461L76-T95 HydrophobicContact CD2-CG2 4.43Å; T95-G97 VanDerWaalsContact C-N 3.31Å; T95-G97 PolarHBondContact O-N 3.08Å; T95-C98 WeakPolarHBondContact O-CB 3.28Å; T95-C98 PolarHBondContact O-N 2.99Å; T95-C98 VanDerWaalsContact O-N 3.08Å; T95-C98 WeakPolarHBondContact OG1-CB 3.45Å; T95-C98 PolarHBondContact OG1-N 2.88Å; T95-R99 PolarHBondContact O-N 3.33Å; T95-G408 PolarHBondContact N-O 2.84Å; T95-G408 PolarHBondContact OG1-O 3.16Å; T95-R409 HydrophobicContact CG2-CG 3.56Å; T95-D461 WeakPolarHBondContact CB-OD2 3.35Å
96K86Confident92.1Very high20 Ų2030.6 Ų30.69%0.08715%0.149CC..Hα-helixtrans-59.3-44.3-177.3-170.7173.7-175.9158.30110.9V77 C98 R99 D100 D461 D517 D519V77-K96 HydrophobicContact CG2-CB 4.26Å; K96-C98 VanDerWaalsContact C-N 3.32Å; K96-C98 PolarHBondContact O-N 2.9Å; K96-R99 WeakPolarHBondContact O-CB 3.44Å; K96-R99 PolarHBondContact O-N 3.29Å; K96-D100 VanDerWaalsContact O-CG 3.22Å; K96-D100 PolarHBondContact O-N 2.96Å; K96-D461 WeakPolarHBondContact CB-OD2 3.14Å; K96-D461 PolarHBondContact N-OD2 3.32Å; K96-D517 IonicContact NZ-OD1 2.77Å; K96-D519 WeakPolarHBondContact CE-OD2 3.49Å; K96-D519 IonicContact NZ-OD2 2.71Å; K96-D519 PolarHBondContact NZ-OD2 3.43Å
97G86.9Confident91.8Very high6 Ų632.8 Ų32.86%0.06216%0.164CC..Hα-helixtrans-63.7-33.8176.500000113.8T95 R101 D461T95-G97 VanDerWaalsContact C-N 3.31Å; T95-G97 PolarHBondContact O-N 3.08Å; G97-R101 VanDerWaalsContact C-NH1 3.31Å; G97-R101 WeakPolarHBondContact O-CD 3.36Å; G97-R101 WeakPolarHBondContact O-CG 3.44Å; G97-R101 PolarHBondContact O-N 3.2Å; G97-R101 PolarHBondContact O-NH1 2.7Å; G97-D461 WeakPolarHBondContact CA-OD1 3.47Å; G97-D461 PolarHBondContact N-OD1 3.25Å; G97-D461 PolarHBondContact N-OD2 2.91Å
98C92.8Very high91.7Very high0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-70.3-46.2175.5-170.10000111.2M94 T95 K96 D100 R101 L102 V458M94-C98 HydrophobicContact CB-CB 3.99Å; M94-C98 HydrophobicContact CG-CB 4.09Å; M94-C98 HydrophobicContact SD-CB 4.17Å; T95-C98 WeakPolarHBondContact O-CB 3.28Å; T95-C98 PolarHBondContact O-N 2.99Å; T95-C98 VanDerWaalsContact O-N 3.08Å; T95-C98 WeakPolarHBondContact OG1-CB 3.45Å; T95-C98 PolarHBondContact OG1-N 2.88Å; K96-C98 VanDerWaalsContact C-N 3.32Å; K96-C98 PolarHBondContact O-N 2.9Å; C98-D100 VanDerWaalsContact C-N 3.33Å; C98-D100 PolarHBondContact O-N 2.92Å; C98-R101 PolarHBondContact O-N 3.32Å; C98-L102 WeakPolarHBondContact O-CB 3.37Å; C98-L102 PolarHBondContact O-N 3.38Å; C98-V458 HydrophobicContact CB-CG1 4.33Å; C98-V458 HydrophobicContact CB-CG2 3.79Å
99R93Very high91.7Very high7 Ų730 Ų303%0.02614%0.144CC..Hα-helixtrans-53.4-49.8174171.7-158.274.1-179.4-0.1111.5V79 M94 T95 K96 R101 L102 I103 D519V79-R99 HydrophobicContact CG1-CG 4.45Å; V79-R99 HydrophobicContact CG2-CB 3.85Å; V79-R99 HydrophobicContact CG2-CG 3.65Å; M94-R99 HydrophobicContact CG-CB 3.91Å; M94-R99 VanDerWaalsContact SD-CA 3.51Å; M94-R99 HydrophobicContact SD-CB 4.12Å; M94-R99 PolarHBondContact SD-N 2.9Å; M94-R99 VanDerWaalsContact SD-N 3.44Å; T95-R99 PolarHBondContact O-N 3.33Å; K96-R99 WeakPolarHBondContact O-CB 3.44Å; K96-R99 PolarHBondContact O-N 3.29Å; R99-R101 VanDerWaalsContact C-N 3.29Å; R99-R101 PolarHBondContact O-N 3.17Å; R99-L102 PolarHBondContact O-N 2.92Å; R99-L102 VanDerWaalsContact O-N 3.16Å; R99-I103 HydrophobicContact CG-CD1 3.69Å; R99-I103 HydrophobicContact CG-CG1 4.28Å; R99-I103 WeakPolarHBondContact O-CG1 3.14Å; R99-I103 PolarHBondContact O-N 3.44Å; R99-D519 IonicContact CZ-OD2 2.66Å; R99-D519 VanDerWaalsContact NH1-CG 3.27Å; R99-D519 IonicContact NH1-OD1 2.91Å; R99-D519 PolarHBondContact NH1-OD1 2.87Å; R99-D519 IonicContact NH1-OD2 3.88Å; R99-D519 PolarHBondContact NH1-OD2 2.64Å; R99-D519 IonicContact NH2-OD2 2.99Å
100D89.8Confident91.5Very high66 Ų6631.6 Ų31.635%0.35315%0.151SC..Hα-helixtrans-61.6-40.5-174.3-69-12.4000111.8K96 C98 K104K96-D100 VanDerWaalsContact O-CG 3.22Å; K96-D100 PolarHBondContact O-N 2.96Å; C98-D100 VanDerWaalsContact C-N 3.33Å; C98-D100 PolarHBondContact O-N 2.92Å; D100-K104 WeakPolarHBondContact O-CB 3.19Å; D100-K104 PolarHBondContact O-N 3.38Å
101R93.8Very high91.4Very high54 Ų5432.8 Ų32.820%0.20416%0.16CC..Hα-helixtrans-71.3-38176.1-66.8164.6173.594.1-17.4111.8G97 C98 R99 K104 L105 A441 H442 F443 D444G97-R101 VanDerWaalsContact C-NH1 3.31Å; G97-R101 WeakPolarHBondContact O-CD 3.36Å; G97-R101 WeakPolarHBondContact O-CG 3.44Å; G97-R101 PolarHBondContact O-N 3.2Å; G97-R101 PolarHBondContact O-NH1 2.7Å; C98-R101 PolarHBondContact O-N 3.32Å; R99-R101 VanDerWaalsContact C-N 3.29Å; R99-R101 PolarHBondContact O-N 3.17Å; R101-K104 PolarHBondContact O-N 3.07Å; R101-L105 VanDerWaalsContact O-CB 3.28Å; R101-L105 WeakPolarHBondContact O-CB 3.36Å; R101-L105 PolarHBondContact O-N 3.42Å; R101-A441 WeakPolarHBondContact CG-O 3.37Å; R101-H442 WeakPolarHBondContact CD-O 3.08Å; R101-H442 PolarHBondContact NE-O 2.77Å; R101-F443 HydrophobicContact CB-CD1 4.32Å; R101-F443 HydrophobicContact CB-CD2 4.11Å; R101-F443 HydrophobicContact CB-CE1 4.04Å; R101-F443 HydrophobicContact CB-CE2 3.8Å; R101-F443 HydrophobicContact CB-CG 4.37Å; R101-F443 HydrophobicContact CB-CZ 3.78Å; R101-D444 IonicContact CZ-OD2 3.8Å; R101-D444 IonicContact NE-OD2 3.38Å; R101-D444 IonicContact NH2-OD1 3.73Å; R101-D444 IonicContact NH2-OD2 3.64Å; R101-D444 PolarHBondContact NH2-OD2 3.47Å
102L96.5Very high91.1Very high0 Ų036 Ų360%018%0.179CC..Hα-helixtrans-63.9-43.7175.2179.964.9000111.8V79 I84 F86 M94 C98 R99 L105 S106 L120 V122 M413 F443V79-L102 HydrophobicContact CG1-CD2 4.41Å; I84-L102 HydrophobicContact CD1-CD1 4.45Å; I84-L102 HydrophobicContact CD1-CD2 4.16Å; I84-L102 HydrophobicContact CD1-CG 3.9Å; F86-L102 HydrophobicContact CE1-CD2 4.25Å; F86-L102 HydrophobicContact CZ-CD2 4.3Å; M94-L102 HydrophobicContact CE-CD2 3.47Å; M94-L102 VanDerWaalsContact CE-CD2 3.47Å; M94-L102 HydrophobicContact SD-CB 4.25Å; M94-L102 HydrophobicContact SD-CD2 3.67Å; C98-L102 WeakPolarHBondContact O-CB 3.37Å; C98-L102 PolarHBondContact O-N 3.38Å; R99-L102 PolarHBondContact O-N 2.92Å; R99-L102 VanDerWaalsContact O-N 3.16Å; L102-L105 WeakPolarHBondContact O-CB 3.31Å; L102-L105 PolarHBondContact O-N 3.44Å; L102-S106 WeakPolarHBondContact O-CB 3.3Å; L102-S106 PolarHBondContact O-N 3.29Å; L102-L120 HydrophobicContact CD1-CD2 3.83Å; L102-V122 HydrophobicContact CD1-CG2 4.01Å; L102-V122 HydrophobicContact CD2-CG2 4.04Å; L102-M413 HydrophobicContact CD1-SD 3.55Å; L102-M413 VanDerWaalsContact CD1-SD 3.55Å; L102-F443 HydrophobicContact CB-CZ 4.38Å
103I93.5Very high90.7Very high62 Ų6233.5 Ų33.532%0.31817%0.17SC..Hα-helixtrans-64.2-44.9175-68174.2000110V79 R99 L105 S106 T107V79-I103 HydrophobicContact CG1-CG1 4.29Å; R99-I103 HydrophobicContact CG-CD1 3.69Å; R99-I103 HydrophobicContact CG-CG1 4.28Å; R99-I103 WeakPolarHBondContact O-CG1 3.14Å; R99-I103 PolarHBondContact O-N 3.44Å; I103-L105 VanDerWaalsContact C-N 3.3Å; I103-L105 PolarHBondContact O-N 2.82Å; I103-S106 PolarHBondContact O-N 3.06Å; I103-T107 PolarHBondContact O-N 3.4Å; I103-T107 PolarHBondContact O-OG1 2.67Å
104K92Very high90Very high77 Ų7736.9 Ų36.934%0.33520%0.198SC..Hα-helixtrans-57.4-45.2175.1-171.7174.4-177.7-168.10111.2D100 R101 T107 Q108 V440 H442D100-K104 WeakPolarHBondContact O-CB 3.19Å; D100-K104 PolarHBondContact O-N 3.38Å; R101-K104 PolarHBondContact O-N 3.07Å; K104-T107 PolarHBondContact O-N 3.32Å; K104-Q108 VanDerWaalsContact O-CG 3.28Å; K104-Q108 WeakPolarHBondContact O-CG 3.39Å; K104-Q108 PolarHBondContact O-N 3.07Å; K104-Q108 VanDerWaalsContact O-N 3.08Å; K104-V440 WeakPolarHBondContact CE-O 3.09Å; K104-V440 PolarHBondContact NZ-O 2.81Å; K104-H442 PolarHBondContact NZ-CD2 3.11Å; K104-H442 PolarHBondContact NZ-NE2 3.41Å
105L95.3Very high89.4Confident0 Ų047.1 Ų47.10%024%0.243CC..Hα-helixtrans-61.2-48.1176.3177.857.8000111.7R101 L102 I103 T107 Q108 I109 M413 L433 I436 A437 A441 F443R101-L105 VanDerWaalsContact O-CB 3.28Å; R101-L105 WeakPolarHBondContact O-CB 3.36Å; R101-L105 PolarHBondContact O-N 3.42Å; L102-L105 WeakPolarHBondContact O-CB 3.31Å; L102-L105 PolarHBondContact O-N 3.44Å; I103-L105 VanDerWaalsContact C-N 3.3Å; I103-L105 PolarHBondContact O-N 2.82Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-T107 PolarHBondContact O-N 2.87Å; L105-Q108 PolarHBondContact O-N 2.81Å; L105-Q108 VanDerWaalsContact O-N 3.1Å; L105-I109 HydrophobicContact CD1-CD1 3.88Å; L105-I109 HydrophobicContact CD1-CG1 4.01Å; L105-I109 HydrophobicContact CD2-CD1 4.45Å; L105-I109 HydrophobicContact CG-CD1 3.72Å; L105-I109 HydrophobicContact CG-CG1 4.32Å; L105-I109 VanDerWaalsContact O-CG1 3.29Å; L105-I109 WeakPolarHBondContact O-CG1 3.46Å; L105-I109 PolarHBondContact O-N 2.8Å; L105-M413 HydrophobicContact CD2-CE 3.43Å; L105-M413 VanDerWaalsContact CD2-CE 3.43Å; L105-M413 HydrophobicContact CD2-SD 3.59Å; L105-M413 VanDerWaalsContact CD2-SD 3.59Å; L105-L433 HydrophobicContact CD1-CD1 4.09Å; L105-L433 HydrophobicContact CD2-CD1 4.19Å; L105-L433 HydrophobicContact CG-CD1 4.42Å; L105-I436 HydrophobicContact CD1-CB 4.12Å; L105-I436 HydrophobicContact CD1-CG2 3.61Å; L105-A437 HydrophobicContact CD1-CB 4.17Å; L105-A437 HydrophobicContact CD2-CB 3.96Å; L105-A441 HydrophobicContact CB-CB 3.67Å; L105-A441 HydrophobicContact CD1-CB 4.26Å; L105-A441 HydrophobicContact CG-CB 4.5Å; L105-F443 HydrophobicContact CB-CE2 4.19Å; L105-F443 HydrophobicContact CD2-CE2 3.84Å
106S93.6Very high88.8Confident5 Ų551.7 Ų51.74%0.03526%0.264CS..Hα-helixtrans-56.7-43.9178.2-179.40000112.1I84 L102 I103 I109 H110I84-S106 WeakPolarHBondContact CG1-OG 3.29Å; L102-S106 WeakPolarHBondContact O-CB 3.3Å; L102-S106 PolarHBondContact O-N 3.29Å; I103-S106 PolarHBondContact O-N 3.06Å; S106-I109 PolarHBondContact O-N 3.17Å; S106-H110 PolarHBondContact O-N 2.82Å
107T90.4Very high88.6Confident69 Ų6953.9 Ų53.942%0.42328%0.277SS..Hα-helixtrans-63.1-42.5176-59.40000111.4I103 K104 L105 H110 N111I103-T107 PolarHBondContact O-N 3.4Å; I103-T107 PolarHBondContact O-OG1 2.67Å; K104-T107 PolarHBondContact O-N 3.32Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-T107 PolarHBondContact O-N 2.87Å; T107-H110 PolarHBondContact O-N 2.91Å; T107-N111 PolarHBondContact O-N 2.91Å; T107-N111 VanDerWaalsContact O-N 3.16Å; T107-N111 PolarHBondContact O-ND2 3.24Å
108Q90.6Very high88.5Confident49 Ų4954.5 Ų54.523%0.22928%0.279CS..Hα-helixtrans-66.3-42.3178.5-67.8-63.6-20.100112.2K104 L105 H110 N111 T112 I436 V440K104-Q108 VanDerWaalsContact O-CG 3.28Å; K104-Q108 WeakPolarHBondContact O-CG 3.39Å; K104-Q108 PolarHBondContact O-N 3.07Å; K104-Q108 VanDerWaalsContact O-N 3.08Å; L105-Q108 PolarHBondContact O-N 2.81Å; L105-Q108 VanDerWaalsContact O-N 3.1Å; Q108-H110 VanDerWaalsContact C-N 3.31Å; Q108-H110 PolarHBondContact O-N 2.83Å; Q108-N111 PolarHBondContact O-N 3.4Å; Q108-N111 VanDerWaalsContact O-N 3.14Å; Q108-T112 PolarHBondContact O-N 2.88Å; Q108-T112 PolarHBondContact O-OG1 2.84Å; Q108-I436 HydrophobicContact CB-CG2 3.68Å; Q108-I436 HydrophobicContact CG-CG2 4.43Å; Q108-V440 HydrophobicContact CG-CG1 3.7Å
109I90.2Very high88.3Confident4 Ų456.8 Ų56.82%0.02129%0.291CS..Hα-helixtrans-58.8-46175.4-68.3164.8000110.3L105 S106 N111 T112 W113 L120 L415 L433L105-I109 HydrophobicContact CD1-CD1 3.88Å; L105-I109 HydrophobicContact CD1-CG1 4.01Å; L105-I109 HydrophobicContact CD2-CD1 4.45Å; L105-I109 HydrophobicContact CG-CD1 3.72Å; L105-I109 HydrophobicContact CG-CG1 4.32Å; L105-I109 VanDerWaalsContact O-CG1 3.29Å; L105-I109 WeakPolarHBondContact O-CG1 3.46Å; L105-I109 PolarHBondContact O-N 2.8Å; S106-I109 PolarHBondContact O-N 3.17Å; I109-N111 PolarHBondContact O-N 2.83Å; I109-T112 PolarHBondContact O-N 3.24Å; I109-W113 HydrophobicContact CB-CE3 4.05Å; I109-W113 HydrophobicContact CB-CZ3 4.1Å; I109-W113 HydrophobicContact CG1-CE3 4.3Å; I109-W113 HydrophobicContact CG1-CZ3 3.83Å; I109-W113 HydrophobicContact CG2-CE3 3.63Å; I109-W113 HydrophobicContact CG2-CZ3 3.98Å; I109-W113 PolarHBondContact O-N 3.45Å; I109-L120 HydrophobicContact CD1-CB 4Å; I109-L120 HydrophobicContact CD1-CD1 3.72Å; I109-L120 HydrophobicContact CD1-CD2 3.85Å; I109-L120 HydrophobicContact CD1-CG 4.06Å; I109-L415 HydrophobicContact CD1-CD2 4.34Å; I109-L415 HydrophobicContact CG2-CD2 4.12Å; I109-L433 HydrophobicContact CD1-CD1 3.45Å; I109-L433 VanDerWaalsContact CD1-CD1 3.45Å; I109-L433 HydrophobicContact CG1-CD1 4.05Å
110H86.2Confident88.4Confident100 Ų10056.5 Ų56.546%0.46329%0.29SS..Hα-helixtrans-59.2-36.4178.8-168.465.7000112S106 T107 Q108 A114S106-H110 PolarHBondContact O-N 2.82Å; T107-H110 PolarHBondContact O-N 2.91Å; Q108-H110 VanDerWaalsContact C-N 3.31Å; Q108-H110 PolarHBondContact O-N 2.83Å; H110-A114 WeakPolarHBondContact O-CA 3.34Å; H110-A114 VanDerWaalsContact O-CB 3.28Å; H110-A114 WeakPolarHBondContact O-CB 3.45Å; H110-A114 PolarHBondContact O-N 2.95Å
111N87.3Confident88.7Confident98 Ų9857 Ų5752%0.52429%0.286SS..Hα-helixtrans-74.7-45.6176.8-66.8-20.9000112.8T107 Q108 I109 W113T107-N111 PolarHBondContact O-N 2.91Å; T107-N111 VanDerWaalsContact O-N 3.16Å; T107-N111 PolarHBondContact O-ND2 3.24Å; Q108-N111 PolarHBondContact O-N 3.4Å; Q108-N111 VanDerWaalsContact O-N 3.14Å; I109-N111 PolarHBondContact O-N 2.83Å; N111-W113 VanDerWaalsContact C-N 3.34Å; N111-W113 PolarHBondContact O-N 3.46Å
112T85.9Confident88.9Confident68 Ų6854.4 Ų54.442%0.41728%0.277SS..Hα-helixtrans-63.9-40.1-178.8-55.70000111.9Q108 I109 I436Q108-T112 PolarHBondContact O-N 2.88Å; Q108-T112 PolarHBondContact O-OG1 2.84Å; I109-T112 PolarHBondContact O-N 3.24Å; T112-I436 HydrophobicContact CG2-CD1 4.16Å
113W85Confident88.8Confident16 Ų1656.5 Ų56.56%0.06129%0.288CS..THydrogen-bonded Turntrans-108.924.1-177.3-69.3-80.1000113I109 N111 K115 Q116 V118 L415 H429 V432 I436I109-W113 HydrophobicContact CB-CE3 4.05Å; I109-W113 HydrophobicContact CB-CZ3 4.1Å; I109-W113 HydrophobicContact CG1-CE3 4.3Å; I109-W113 HydrophobicContact CG1-CZ3 3.83Å; I109-W113 HydrophobicContact CG2-CE3 3.63Å; I109-W113 HydrophobicContact CG2-CZ3 3.98Å; I109-W113 PolarHBondContact O-N 3.45Å; N111-W113 VanDerWaalsContact C-N 3.34Å; N111-W113 PolarHBondContact O-N 3.46Å; W113-K115 PolarHBondContact O-N 2.98Å; W113-Q116 HydrophobicContact CB-CB 4.25Å; W113-Q116 VanDerWaalsContact CD1-OE1 3.24Å; W113-Q116 CarbonylContact O-C 3.59Å; W113-Q116 WeakPolarHBondContact O-CA 3.39Å; W113-Q116 PolarHBondContact O-N 3.34Å; W113-V118 HydrophobicContact CB-CB 4.29Å; W113-L415 HydrophobicContact CH2-CD1 4.21Å; W113-L415 HydrophobicContact CZ2-CD1 4.22Å; W113-H429 AromaticContact NE1-CD2 3.78Å; W113-H429 AromaticContact NE1-NE2 3.94Å; W113-V432 HydrophobicContact CH2-CB 4.18Å; W113-V432 HydrophobicContact CH2-CG1 3.63Å; W113-V432 HydrophobicContact CZ2-CB 4.05Å; W113-V432 HydrophobicContact CZ2-CG1 3.69Å; W113-I436 HydrophobicContact CH2-CD1 3.69Å; W113-I436 HydrophobicContact CZ3-CD1 3.56Å
114A79.2Confident88.8Confident71 Ų7157.3 Ų57.359%0.58729%0.287SS*.THydrogen-bonded Turntrans-53-28.6-175.800000115H110H110-A114 WeakPolarHBondContact O-CA 3.34Å; H110-A114 VanDerWaalsContact O-CB 3.28Å; H110-A114 WeakPolarHBondContact O-CB 3.45Å; H110-A114 PolarHBondContact O-N 2.95Å
115K79.3Confident88.9Confident216 Ų21653.7 Ų53.794%0.93927%0.271SS*.THydrogen-bonded Turntrans-91.6-9.6177.7-64.3-178.5-178.8175.70113.8W113W113-K115 PolarHBondContact O-N 2.98Å
116Q78Confident88.8Confident97 Ų9753.8 Ų53.845%0.45327%0.271SS..SBendtrans-104.9148.3179.1-57.5-171.513.300109.5W113 V118W113-Q116 HydrophobicContact CB-CB 4.25Å; W113-Q116 VanDerWaalsContact CD1-OE1 3.24Å; W113-Q116 CarbonylContact O-C 3.59Å; W113-Q116 WeakPolarHBondContact O-CA 3.39Å; W113-Q116 PolarHBondContact O-N 3.34Å; Q116-V118 HydrophobicContact CB-CG2 3.88Å; Q116-V118 PolarHBondContact O-N 3.43Å
117D81.4Confident88.6Confident67 Ų6754.9 Ų54.936%0.35828%0.278SS..  trans-86.265.1-179.6-16737.3000109.9T417 R418D117-T417 WeakPolarHBondContact O-CA 3.34Å; D117-R418 VanDerWaalsContact CG-CB 3.43Å; D117-R418 WeakPolarHBondContact OD1-CB 3.45Å; D117-R418 IonicContact OD1-CZ 3.39Å; D117-R418 IonicContact OD1-NE 3.81Å; D117-R418 PolarHBondContact OD1-NE 3.27Å; D117-R418 IonicContact OD1-NH2 3.94Å; D117-R418 PolarHBondContact OD1-NH2 2.89Å; D117-R418 VanDerWaalsContact OD1-NH2 3.08Å; D117-R418 WeakPolarHBondContact OD2-CB 3.38Å; D117-R418 IonicContact OD2-NE 2.81Å
118V85.8Confident88.5Confident19 Ų1958.4 Ų58.412%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-119.8135.1-174.9-176.90000110.2W113 Q116 L415 I416W113-V118 HydrophobicContact CB-CB 4.29Å; Q116-V118 HydrophobicContact CB-CG2 3.88Å; Q116-V118 PolarHBondContact O-N 3.43Å; V118-L415 HydrophobicContact CG1-CB 3.8Å; V118-L415 HydrophobicContact CG1-CD1 4.23Å; V118-L415 HydrophobicContact CG1-CD2 3.88Å; V118-L415 HydrophobicContact CG1-CG 4.17Å; V118-I416 CarbonylContact C-O 3.56Å; V118-I416 WeakPolarHBondContact CA-O 2.9Å
119I88.5Confident88.2Confident47 Ų4756.4 Ų56.424%0.24128%0.279CS..EExtended strand (participates in β ladder)trans-130.4141.3-177.9-54.8172.8000108.7I85 I416I85-I119 HydrophobicContact CD1-CB 4.33Å; I85-I119 HydrophobicContact CD1-CD1 4.21Å; I85-I119 HydrophobicContact CD1-CG2 3.67Å; I85-I119 HydrophobicContact CG1-CG2 3.96Å; I119-I416 HydrophobicContact CB-CG1 4.24Å; I119-I416 PolarHBondContact N-O 3.19Å; I119-I416 PolarHBondContact O-N 3.08Å
120L94.8Very high87.9Confident2 Ų259.1 Ų59.11%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-75.9127.1174.2-178.563.7000110I84 I85 L102 I109 M413 L415 L433I84-L120 HydrophobicContact CG1-CD2 4.34Å; I85-L120 PolarHBondContact N-O 3.28Å; L102-L120 HydrophobicContact CD1-CD2 3.83Å; I109-L120 HydrophobicContact CD1-CB 4Å; I109-L120 HydrophobicContact CD1-CD1 3.72Å; I109-L120 HydrophobicContact CD1-CD2 3.85Å; I109-L120 HydrophobicContact CD1-CG 4.06Å; L120-M413 HydrophobicContact CD1-CB 3.98Å; L120-M413 HydrophobicContact CD1-SD 4.34Å; L120-M413 HydrophobicContact CD2-SD 4.47Å; L120-L415 HydrophobicContact CD1-CD2 4.33Å; L120-L433 HydrophobicContact CD1-CD1 4.26Å; L120-L433 HydrophobicContact CD1-CD2 4.49Å
121R95.2Very high87.4Confident75 Ų7560.8 Ų60.828%0.28332%0.316SS..EExtended strand (participates in β ladder)trans-113.1126.9172.2-177-177.9-178.1-144.2-1.7109.8I85 D87 M413 E414 I416I85-R121 HydrophobicContact CG2-CG 4.33Å; I85-R121 CarbonylContact O-C 3.57Å; I85-R121 VanDerWaalsContact O-CA 3.25Å; I85-R121 WeakPolarHBondContact O-CA 3.41Å; D87-R121 IonicContact OD1-CZ 3.53Å; D87-R121 IonicContact OD1-NE 2.6Å; D87-R121 PolarHBondContact OD1-NE 2.71Å; D87-R121 IonicContact OD1-NH2 2.79Å; D87-R121 PolarHBondContact OD1-NH2 3.19Å; D87-R121 IonicContact OD2-CZ 3.02Å; D87-R121 IonicContact OD2-NE 3.26Å; D87-R121 PolarHBondContact OD2-NE 3.38Å; D87-R121 IonicContact OD2-NH2 3.2Å; D87-R121 PolarHBondContact OD2-NH2 3.36Å; R121-M413 CarbonylContact O-C 3.55Å; R121-M413 VanDerWaalsContact O-CA 3.31Å; R121-M413 WeakPolarHBondContact O-CA 3.33Å; R121-E414 HydrophobicContact CB-CG 4.05Å; R121-E414 WeakPolarHBondContact CD-OE1 3.49Å; R121-E414 HydrophobicContact CG-CG 4.41Å; R121-E414 IonicContact CZ-OE1 2.8Å; R121-E414 PolarHBondContact N-O 3.3Å; R121-E414 IonicContact NE-OE1 3.38Å; R121-E414 IonicContact NH1-OE1 2.99Å; R121-E414 PolarHBondContact NH1-OE1 3.01Å; R121-E414 PolarHBondContact O-N 3.39Å; R121-I416 HydrophobicContact CB-CD1 4.03Å; R121-I416 HydrophobicContact CB-CG1 4.01Å; R121-I416 HydrophobicContact CB-CG2 4.05Å; R121-I416 HydrophobicContact CG-CD1 4.4Å
122V97.4Very high86.8Confident0 Ų063.5 Ų63.50%033%0.331CS..EExtended strand (participates in β ladder)trans-96.7114.6171.9177.40000108I84 I85 F86 D87 A91 L102 V411 M413I84-V122 HydrophobicContact CG2-CB 4.4Å; I84-V122 HydrophobicContact CG2-CG2 3.56Å; I85-V122 PolarHBondContact O-N 3.36Å; F86-V122 HydrophobicContact CD1-CB 3.64Å; F86-V122 HydrophobicContact CD1-CG1 3.91Å; F86-V122 HydrophobicContact CD1-CG2 4.16Å; F86-V122 HydrophobicContact CE1-CB 3.84Å; F86-V122 HydrophobicContact CE1-CG1 4.06Å; F86-V122 HydrophobicContact CE1-CG2 3.85Å; F86-V122 HydrophobicContact CG-CB 4.5Å; D87-V122 PolarHBondContact N-O 3.46Å; A91-V122 HydrophobicContact CB-CG1 4.35Å; L102-V122 HydrophobicContact CD1-CG2 4.01Å; L102-V122 HydrophobicContact CD2-CG2 4.04Å; V122-V411 HydrophobicContact CG1-CG1 4.29Å; V122-M413 HydrophobicContact CG2-CG 4.38Å
123I94.6Very high86.1Confident45 Ų4562.9 Ų62.923%0.23132%0.321CS..EExtended strand (participates in β ladder)trans-82.3-49-178.2-52.4172.5000109.3D412 E414 H453I123-D412 HydrophobicContact CB-CB 4.36Å; I123-D412 PolarHBondContact N-O 2.8Å; I123-E414 HydrophobicContact CD1-CB 4.14Å; I123-E414 HydrophobicContact CD1-CG 3.84Å; I123-E414 HydrophobicContact CG1-CG 4.04Å; I123-H453 HydrophobicContact CD1-CB 3.84Å
124R94.4Very high85.2Confident79 Ų7970.8 Ų70.830%0.29836%0.356SS..EExtended strand (participates in β ladder)trans-139146.3-179.3-55.3-168.7-62.6160.93.4110.2V127 E402 V411 D412R124-V127 HydrophobicContact CB-CG1 4.47Å; R124-E402 IonicContact CZ-OE2 3.5Å; R124-E402 VanDerWaalsContact NH1-CD 3.33Å; R124-E402 IonicContact NH1-OE1 3.53Å; R124-E402 PolarHBondContact NH1-OE1 3.21Å; R124-E402 IonicContact NH1-OE2 2.73Å; R124-E402 PolarHBondContact NH1-OE2 2.98Å; R124-E402 IonicContact NH2-OE2 3.52Å; R124-V411 CarbonylContact O-C 3.57Å; R124-V411 WeakPolarHBondContact O-CA 3.38Å; R124-D412 HydrophobicContact CB-CB 4.11Å; R124-D412 IonicContact CZ-OD2 3.98Å; R124-D412 PolarHBondContact N-O 3.3Å; R124-D412 IonicContact NE-OD2 3.81Å; R124-D412 PolarHBondContact NE-OD2 3.38Å; R124-D412 IonicContact NH2-OD2 2.82Å; R124-D412 PolarHBondContact NH2-OD2 2.9Å; R124-D412 PolarHBondContact O-N 3.46Å
125S94.6Very high84.4Confident0 Ų069.8 Ų69.80%034%0.344CS..SBendtrans-139.4-110.1172.5178.20000107.7A91 W93 M94 H405 A410A91-S125 WeakPolarHBondContact O-CB 3.44Å; W93-S125 PolarHBondContact O-OG 2.88Å; M94-S125 WeakPolarHBondContact CB-OG 3.4Å; M94-S125 VanDerWaalsContact CE-OG 3.28Å; M94-S125 WeakPolarHBondContact CE-OG 3.39Å; S125-H405 WeakPolarHBondContact O-CA 3.48Å; S125-H405 VanDerWaalsContact O-CB 3.28Å; S125-H405 WeakPolarHBondContact O-CB 3.41Å; S125-H405 PolarHBondContact O-ND1 2.94Å; S125-A410 WeakPolarHBondContact CA-O 3.42Å
126W93Very high83.2Confident2 Ų265.5 Ų65.51%0.00833%0.33CS..SBendtrans-69.1133.4168.2-17782.4000110.3F71 L76 E90 W93 K128 H405 Y406F71-W126 HydrophobicContact CB-CD2 4.37Å; F71-W126 HydrophobicContact CB-CE3 3.96Å; F71-W126 HydrophobicContact CB-CH2 3.83Å; F71-W126 HydrophobicContact CB-CZ2 4.23Å; F71-W126 HydrophobicContact CB-CZ3 3.71Å; F71-W126 AromaticContact CD1-CE3 3.99Å; F71-W126 HydrophobicContact CD1-CE3 3.99Å; F71-W126 AromaticContact CD1-CH2 3.39Å; F71-W126 HydrophobicContact CD1-CH2 3.39Å; F71-W126 AromaticContact CD1-CZ3 3.06Å; F71-W126 HydrophobicContact CD1-CZ3 3.06Å; F71-W126 HydrophobicContact CE1-CH2 4.31Å; F71-W126 AromaticContact CE1-CZ3 3.77Å; F71-W126 HydrophobicContact CE1-CZ3 3.77Å; F71-W126 HydrophobicContact CG-CE3 4.09Å; F71-W126 HydrophobicContact CG-CH2 4.01Å; F71-W126 AromaticContact CG-CZ3 3.59Å; F71-W126 HydrophobicContact CG-CZ3 3.59Å; L76-W126 HydrophobicContact CD1-CB 4.16Å; L76-W126 VanDerWaalsContact CD1-CD1 3.41Å; L76-W126 HydrophobicContact CD1-CD2 3.95Å; L76-W126 HydrophobicContact CD1-CG 3.53Å; L76-W126 HydrophobicContact CD2-CG 4.44Å; E90-W126 HydrophobicContact CB-CE3 4.19Å; E90-W126 HydrophobicContact CB-CZ3 4.46Å; E90-W126 HydrophobicContact CG-CE3 4.43Å; E90-W126 HydrophobicContact CG-CZ3 4.21Å; W93-W126 HydrophobicContact CB-CB 4.18Å; W93-W126 WeakPolarHBondContact O-CB 3.27Å; W93-W126 PolarHBondContact O-N 2.9Å; W93-W126 VanDerWaalsContact O-N 3.17Å; W126-K128 HydrophobicContact CH2-CB 3.74Å; W126-K128 HydrophobicContact CH2-CG 4.3Å; W126-K128 HydrophobicContact CZ2-CB 4.39Å; W126-K128 HydrophobicContact CZ3-CB 4.27Å; W126-H405 VanDerWaalsContact CA-O 3.3Å; W126-H405 WeakPolarHBondContact CA-O 3.39Å; W126-Y406 VanDerWaalsContact CD1-O 3.29Å; W126-Y406 PolarHBondContact NE1-O 3.4Å
127V89.5Confident81.6Confident29 Ų2966.3 Ų66.318%0.17634%0.344CS..  trans-134.1146.6174.2-57.10000109.1R124 E402 H405 Y406R124-V127 HydrophobicContact CB-CG1 4.47Å; V127-E402 WeakPolarHBondContact CG2-OE1 3.38Å; V127-H405 HydrophobicContact CG2-CB 3.63Å; V127-H405 PolarHBondContact N-O 3.34Å; V127-Y406 HydrophobicContact CG2-CD1 3.53Å; V127-Y406 HydrophobicContact CG2-CE1 3.63Å; V127-Y406 WeakPolarHBondContact O-CD1 3.32Å
128K87Confident79.7Confident143 Ų14367.3 Ų67.362%0.62235%0.346SS*.PPolyproline II helixtrans-68.9129.1-179.6-173.6178.7176.1178.60110.2N69 W126N69-K128 WeakPolarHBondContact O-CE 3.33Å; W126-K128 HydrophobicContact CH2-CB 3.74Å; W126-K128 HydrophobicContact CH2-CG 4.3Å; W126-K128 HydrophobicContact CZ2-CB 4.39Å; W126-K128 HydrophobicContact CZ3-CB 4.27Å
129P85.4Confident77.3Confident7 Ų773.5 Ų73.55%0.04538%0.379CS..PPolyproline II helixtrans-59.1145.2173-20.729.8000112.3H68 Y406H68-P129 WeakPolarHBondContact O-CD 3.35Å; H68-P129 WeakPolarHBondContact O-CG 3.46Å; P129-Y406 HydrophobicContact CB-CD1 4.22Å; P129-Y406 HydrophobicContact CB-CD2 4.28Å; P129-Y406 HydrophobicContact CB-CG 4.12Å; P129-Y406 HydrophobicContact CG-CD1 4.11Å; P129-Y406 HydrophobicContact CG-CD2 4.45Å; P129-Y406 HydrophobicContact CG-CG 3.9Å
130P83Confident74.7Confident61 Ų6177.9 Ų77.940%0.39640%0.403SS..PPolyproline II helixtrans-57146169.3-23.131.6000111.3N132 Y133 Y406P130-N132 PolarHBondContact O-N 3.43Å; P130-Y133 VanDerWaalsContact O-CB 3.27Å; P130-Y133 WeakPolarHBondContact O-CB 3.23Å; P130-Y133 PolarHBondContact O-N 3.46Å; P130-Y406 WeakPolarHBondContact CD-OH 3.48Å; P130-Y406 WeakPolarHBondContact CG-OH 3.2Å
131P76.6Confident71.6Confident135 Ų13584.5 Ų84.588%0.87744%0.438SS*.THydrogen-bonded Turntrans-59.9-24.9-175.122.6-33.7000114.5
132N75.2Confident68.5Low154 Ų15489.4 Ų89.482%0.82447%0.466SS*.THydrogen-bonded Turntrans-96.56.4179.2-68.2-15.6000113.6P130 K134P130-N132 PolarHBondContact O-N 3.43Å; N132-K134 PolarHBondContact O-N 2.95Å
133Y70.4Confident65.2Low55 Ų5598.2 Ų98.222%0.21651%0.507CS..  trans-69.5118.1179.7-176-92.7000110F67 P130 P135 E403 Y406F67-Y133 HydrophobicContact CD1-CD1 4.21Å; F67-Y133 AromaticContact CD1-CE1 3.37Å; F67-Y133 HydrophobicContact CD1-CE1 3.37Å; F67-Y133 AromaticContact CE1-CE1 3.35Å; F67-Y133 HydrophobicContact CE1-CE1 3.35Å; F67-Y133 AromaticContact CE1-CZ 3.54Å; F67-Y133 WeakPolarHBondContact CE1-OH 3.34Å; F67-Y133 AromaticContact CG-CE1 4Å; F67-Y133 HydrophobicContact CG-CE1 4Å; F67-Y133 AromaticContact CZ-CE1 3.95Å; F67-Y133 HydrophobicContact CZ-CE1 3.95Å; F67-Y133 VanDerWaalsContact CZ-OH 3.23Å; F67-Y133 WeakPolarHBondContact CZ-OH 3.46Å; P130-Y133 VanDerWaalsContact O-CB 3.27Å; P130-Y133 WeakPolarHBondContact O-CB 3.23Å; P130-Y133 PolarHBondContact O-N 3.46Å; Y133-P135 HydrophobicContact CE1-CG 4.44Å; Y133-E403 HydrophobicContact CE2-CG 4.14Å; Y133-E403 VanDerWaalsContact OH-CG 3.26Å; Y133-E403 WeakPolarHBondContact OH-CG 3.16Å; Y133-E403 PolarHBondContact OH-OE1 3.14Å; Y133-E403 VanDerWaalsContact OH-OE1 3.08Å; Y133-Y406 HydrophobicContact CD2-CD2 4.38Å; Y133-Y406 AromaticContact CD2-CE2 3.84Å; Y133-Y406 HydrophobicContact CD2-CE2 3.84Å; Y133-Y406 HydrophobicContact CE1-CD2 4.32Å; Y133-Y406 HydrophobicContact CE2-CD2 4.16Å; Y133-Y406 AromaticContact CE2-CE2 3.82Å; Y133-Y406 HydrophobicContact CE2-CE2 3.82Å; Y133-Y406 HydrophobicContact CG-CE2 4.28Å
134K65.6Low62Low182 Ų182103.8 Ų103.879%0.79154%0.538SS*.  trans-105.8122.5171.2-69.3-174.7179.5-177.10107.7N132 L136N132-K134 PolarHBondContact O-N 2.95Å; K134-L136 PolarHBondContact O-N 3.24Å
135P62.4Low58.6Low51 Ų51104.7 Ų104.733%0.33156%0.556SS.*PPolyproline II helixtrans-52.1137.9168.9-23.133000109.5F67 Y133 P137F67-P135 HydrophobicContact CB-CG 4.35Å; F67-P135 HydrophobicContact CD2-CB 3.75Å; F67-P135 HydrophobicContact CD2-CG 3.65Å; F67-P135 HydrophobicContact CE2-CB 3.78Å; F67-P135 HydrophobicContact CE2-CG 4.18Å; F67-P135 HydrophobicContact CG-CG 4.07Å; Y133-P135 HydrophobicContact CE1-CG 4.44Å; P135-P137 WeakPolarHBondContact O-CD 3.4Å
136L54.1Low55.5Low126 Ų126113.4 Ų113.466%0.6660%0.597SS**PPolyproline II helixtrans-57.5126.6168.6-71164.9000107.7K134 Q138K134-L136 PolarHBondContact O-N 3.24Å; L136-Q138 PolarHBondContact O-N 3.47Å
137P45.3Very low52.2Low114 Ų114121.5 Ų121.574%0.7464%0.635SS**PPolyproline II helixtrans-55.4125.6168.6-19.230.6000107.7P135 D139P135-P137 WeakPolarHBondContact O-CD 3.4Å; P137-D139 PolarHBondContact O-N 3.05Å
138Q41.6Very low49.1Very low87 Ų87126.8 Ų126.841%0.40766%0.662SS.*PPolyproline II helixtrans-62.4130.9169.2-73179.6-19.700106.9L62 L136 D140L62-Q138 PolarHBondContact O-NE2 2.89Å; L136-Q138 PolarHBondContact O-N 3.47Å; Q138-D140 PolarHBondContact O-N 3.39Å
139D34.4Very low46.2Very low150 Ų150125.7 Ų125.780%0.80267%0.672SS**  trans-65.582.5169.3-78.1-43.8000107.6P137 N141P137-D139 PolarHBondContact O-N 3.05Å; D139-N141 PolarHBondContact O-N 3.13Å
140D34.4Very low43.4Very low138 Ų138130.4 Ų130.474%0.73870%0.703SS**  trans-70.265.6165.1-67.9-24.4000108Q138Q138-D140 PolarHBondContact O-N 3.39Å
141N28.6Very low40.4Very low141 Ų141135.1 Ų135.175%0.75472%0.724SS**  trans-137.553.4171.8-75.3-49.4000109.3D139D139-N141 PolarHBondContact O-N 3.13Å
142M31.3Very low37.8Very low179 Ų179136.5 Ų136.588%0.88272%0.723SS**SBendtrans-141.996.2150.4-83.5-154.9179.100108.8D144M142-D144 PolarHBondContact O-N 3.23Å
143E26.7Very low35.4Very low184 Ų184140.2 Ų140.286%0.8673%0.727SS**  trans33.684.4150.5-68175.1159.700117.3
144D28.4Very low33.1Very low162 Ų162146.1 Ų146.187%0.86676%0.757SS**  trans-11980.9138.4-95.3-30.6000107.5M142 H146M142-D144 PolarHBondContact O-N 3.23Å; D144-H146 PolarHBondContact O-N 2.97Å
145S22.4Very low30.9Very low99 Ų99146.7 Ų146.769%0.69276%0.759SS**  trans-75.686.5165.154.40000108.9
146H29.2Very low29Very low182 Ų182152.1 Ų152.184%0.84379%0.785SS**  trans-138.8119.8156-83.4-64.4000110.1D144D144-H146 PolarHBondContact O-N 2.97Å
147E23.9Very low27.4Very low172 Ų172150.2 Ų150.280%0.80478%0.783SS**  trans-73.4164.9-165.8-59.2-170.3134.100114.4
148D25Very low26.3Very low140 Ų140154 Ų15475%0.74979%0.787SS**  trans8290.2151.6-58.2-26.3000120
149S25.6Very low25.4Very low121 Ų121155.5 Ų155.585%0.84681%0.805SS**  -158.1148.7110-83.40000113
150P26.9Very low24.8Very low106 Ų106157.4 Ų157.469%0.68881%0.809SS**  trans-99.1149.7-147.436-30.6000114.4
151L21.1Very low24.1Very low159 Ų159160.6 Ų160.683%0.83282%0.816SS**  trans42.9115.4137.1-56.2175.6000117.7
152L21.4Very low23.8Very low164 Ų164160.3 Ų160.386%0.85982%0.819SS**  169.9100.2115.1-87.7169.4000110.2
153Y23.8Very low23.4Very low232 Ų232156.9 Ų156.991%0.9181%0.813SS**  -163.1136.6128.460.6-83.5000110.9
154E22.1Very low23Very low179 Ų179157.5 Ų157.584%0.83682%0.816SS**  trans-71147.8-167.9-81.1171.3123.700114.7N156E154-N156 PolarHBondContact O-N 3.25Å
155K19.8Very low22.7Very low195 Ų195155.6 Ų155.685%0.84882%0.815SS**  trans-72.299175.3-179.7-179.1-177174.70110.7
156N22.9Very low22.5Very low164 Ų164161.8 Ų161.888%0.87782%0.823SS**  trans-88.6108.7160.5-82.5-23000110.7E154E154-N156 PolarHBondContact O-N 3.25Å
157S21.3Very low22.1Very low87 Ų87160.2 Ų160.261%0.60882%0.821SS**  trans-76.1131.9174.658.70000112.2
158K21.4Very low22.2Very low192 Ų192157.5 Ų157.584%0.83582%0.818SS**  154136.1114.2-84.2179.9-176.7176.60111.3
159P23.7Very low22Very low119 Ų119156.2 Ų156.277%0.77382%0.815SS**  trans-92.4131.3-176.834.7-30.2000111.9K161P159-K161 PolarHBondContact O-N 2.75Å
160E20.4Very low21.8Very low190 Ų190160.7 Ų160.789%0.88882%0.82SS**  trans-82.3110.5165.9-83.8-175.5155.100110.3
161K19.4Very low21.5Very low206 Ų206161.8 Ų161.890%0.89682%0.824SS**  trans-74.5119160.7-76.4173.4174.4176.60107.9P159P159-K161 PolarHBondContact O-N 2.75Å
162V23.6Very low21.4Very low135 Ų135157.2 Ų157.282%0.81882%0.815SS**  trans-117.3122.8158.3-1780000109
163S21.6Very low21.4Very low106 Ų106157.1 Ų157.174%0.74182%0.816SS**  trans-72.6147.3-168.744.90000114.5
164H19.3Very low21.2Very low198 Ų198151.7 Ų151.792%0.91781%0.811SS**  trans-50.6128.4163.1-65.7-78.7000113.2
165S21.3Very low21.3Very low121 Ų121149 Ų14985%0.84681%0.81SS**  trans-117.6139160.7179.30000109.5
166R19.2Very low21.5Very low229 Ų229146.6 Ų146.686%0.86481%0.812SS**  trans-92.6145.2-171.4-68.5171168167.2-4.3111.4
167N20.6Very low21.4Very low149 Ų149145 Ų14580%0.79781%0.807SS**  trans40.3141.9141.2-68.7-5.6000121
168P26.6Very low21.4Very low115 Ų115151 Ų15175%0.74782%0.823SS**  -144.1146.364.230.2-7.3000116.3
169V19.7Very low21.4Very low114 Ų114147 Ų14769%0.69182%0.819SS**  49.9104.2102.5-169.20000115.6V171V169-V171 HydrophobicContact CG1-CG2 4.12Å
170F21.7Very low21.3Very low215 Ų215144.2 Ų144.294%0.94381%0.812SS**  trans-132.5121146.6-107.8-87.2000109
171V20.7Very low21.6Very low129 Ų129144.7 Ų144.778%0.78281%0.814SS**  trans-106132.7174.7177.20000106.3V169V169-V171 HydrophobicContact CG1-CG2 4.12Å
172G20.2Very low21.7Very low63 Ų63147.2 Ų147.265%0.64982%0.818SS**  trans-179.685.9177.500000115.7
173N20.7Very low21.8Very low162 Ų162145.5 Ų145.587%0.86682%0.818SS**  trans73.9106.3142.7-56.81.5000120.3
174S19.7Very low22Very low117 Ų117147.9 Ų147.982%0.81882%0.821SS**PPolyproline II helixtrans-76.4136.4158.145.60000111.4
175P24.4Very low22.2Very low123 Ų123144.1 Ų144.180%0.79982%0.815SS**PPolyproline II helixtrans-85.1153.217132.7-30.4000112
176T22.9Very low22.3Very low145 Ų145148.2 Ų148.289%0.8982%0.818SS**PPolyproline II helixtrans-68.6149.4-167.7-40000114.3
177V20.9Very low22.6Very low129 Ų129143.2 Ų143.278%0.78281%0.812SS**PPolyproline II helixtrans-62.6125.9175.8175.50000111.3
178F21.2Very low22.7Very low215 Ų215141.8 Ų141.894%0.94381%0.811SS**  trans-100.8110.1155.5-134.7-91.1000108.5
179S22.3Very low22.6Very low106 Ų106142.4 Ų142.474%0.74181%0.812SS**  trans-88136.3175.8170.80000109.3
180G21.7Very low22.8Very low61 Ų61146.1 Ų146.163%0.62982%0.819SS**  trans134.598154.300000115.6
181Q25.8Very low23.1Very low200 Ų200141.2 Ų141.294%0.93581%0.812SS**  -172.6117.3119.3-98.3167.817.900109.6A183Q181-A183 PolarHBondContact O-N 3.13Å
182R22.3Very low23.2Very low259 Ų259146 Ų14698%0.97782%0.816SS**PPolyproline II helixtrans-67.2116.9174.3-75.5173.4173.4169.5-3109
183A25.7Very low23.6Very low99 Ų99151.9 Ų151.982%0.81883%0.826SS**PPolyproline II helixtrans-99.3139.1162.600000109.4Q181Q181-A183 PolarHBondContact O-N 3.13Å
184L24.7Very low24.1Very low156 Ų156153.3 Ų153.382%0.81783%0.825SS**PPolyproline II helixtrans-59.4151.8-169.9-66.1169.5000113.7F186L184-F186 PolarHBondContact O-N 2.76Å
185P24Very low24.5Very low119 Ų119155.7 Ų155.777%0.77383%0.828SS**PPolyproline II helixtrans-71126.7-172.728.4-33.5000111.9V187P185-V187 PolarHBondContact O-N 2.88Å
186F23.7Very low24.6Very low208 Ų208157 Ų15791%0.91283%0.828SS**PPolyproline II helixtrans-70.1121.5170.4-84.5-91.7000110.3L184L184-F186 PolarHBondContact O-N 2.76Å
187V25.2Very low24.7Very low123 Ų123152.9 Ų152.975%0.74581%0.809SS**PPolyproline II helixtrans-68.1126.5168.1177.40000108.4P185 V189P185-V187 PolarHBondContact O-N 2.88Å; V187-V189 PolarHBondContact O-N 2.87Å
188P22.8Very low25Very low119 Ų119152.3 Ų152.377%0.77381%0.808SS**  trans-69.8108.1-177.427.1-32.3000109.8K190P188-K190 PolarHBondContact O-N 3.01Å
189V23.8Very low25.3Very low128 Ų128149.2 Ų149.278%0.77680%0.8SS**  trans-68.6112.4169.2-179.50000107.1V187 S191V187-V189 PolarHBondContact O-N 2.87Å; V189-S191 PolarHBondContact O-N 2.66Å
190K24.4Very low25.9Very low192 Ų192149 Ų14984%0.83579%0.789SS**  trans-47.5125.2171-73.3178.7176.3178.80108.8P188 R192P188-K190 PolarHBondContact O-N 3.01Å; K190-R192 PolarHBondContact O-N 3.42Å; K190-R192 VanDerWaalsContact O-N 3.11Å
191S27.1Very low26.2Very low113 Ų113152.6 Ų152.679%0.7979%0.794SS**  trans-40.5115.3176.850.40000110.7V189 Q193V189-S191 PolarHBondContact O-N 2.66Å; S191-Q193 PolarHBondContact O-N 3.35Å
192R24.2Very low26.5Very low230 Ų230145.9 Ų145.987%0.86876%0.763SS**  trans-54.2128168.2-74.6-177.6174.4-174.4-1.8107.4K190 F194K190-R192 PolarHBondContact O-N 3.42Å; K190-R192 VanDerWaalsContact O-N 3.11Å; R192-F194 PolarHBondContact O-N 3.05Å; R192-F194 VanDerWaalsContact O-N 3.17Å
193Q27.6Very low26.9Very low186 Ų186137 Ų13787%0.86974%0.737SS**  trans-50.1124.6167.1-77.3169.7-3500107.5S191 L195S191-Q193 PolarHBondContact O-N 3.35Å; Q193-L195 PolarHBondContact O-N 3.18Å
194F32.2Very low27.2Very low192 Ų192137.2 Ų137.284%0.84273%0.731SS**  trans-42.6116.1174.1-95.1-106.7000108.3R192 D196R192-F194 PolarHBondContact O-N 3.05Å; R192-F194 VanDerWaalsContact O-N 3.17Å; F194-D196 PolarHBondContact O-N 2.89Å; F194-D196 VanDerWaalsContact O-N 3.11Å
195L28Very low27.8Very low167 Ų167136.6 Ų136.687%0.87472%0.723SS**  trans-64.8109.3157.4-72.2168.5000104.1Q193 A197Q193-L195 PolarHBondContact O-N 3.18Å; L195-A197 PolarHBondContact O-N 3.2Å
196D25.8Very low28.2Very low151 Ų151137.1 Ų137.181%0.80772%0.717SS**  trans-46.9112.1173.5-70.3-40.6000108.1F194F194-D196 PolarHBondContact O-N 2.89Å; F194-D196 VanDerWaalsContact O-N 3.11Å
197A26.1Very low28.9Very low58 Ų58132.6 Ų132.648%0.47970%0.7SS.*  trans-59.7128.1166.800000106.1L195 I199L195-A197 PolarHBondContact O-N 3.2Å; A197-I199 PolarHBondContact O-N 3.45Å; A197-I199 VanDerWaalsContact O-N 3.13Å
198P25.8Very low29.3Very low117 Ų117132.8 Ų132.876%0.7670%0.697SS**  trans-59.3124.3-176.122.4-31.4000109.1I200P198-I200 PolarHBondContact O-N 3.36Å; P198-I200 VanDerWaalsContact O-N 3.07Å
199I28.1Very low29.6Very low150 Ų150130.3 Ų130.377%0.76969%0.693SS**  trans-57113.2167.8-65.1165000105.8A197 D201A197-I199 PolarHBondContact O-N 3.45Å; A197-I199 VanDerWaalsContact O-N 3.13Å; I199-D201 VanDerWaalsContact C-N 3.3Å; I199-D201 PolarHBondContact O-N 2.76Å
200I35.5Very low29.7Very low101 Ų101132.1 Ų132.152%0.51869%0.693SS.*  trans-70.697168.3-59.2171.8000105.2P198 M202P198-I200 PolarHBondContact O-N 3.36Å; P198-I200 VanDerWaalsContact O-N 3.07Å; I200-M202 PolarHBondContact O-N 2.65Å
201D28.3Very low29.8Very low136 Ų136130.1 Ų130.173%0.72769%0.685SS**  trans-68.8113.5174.3-150.36.8000107.6I199 T203I199-D201 VanDerWaalsContact C-N 3.3Å; I199-D201 PolarHBondContact O-N 2.76Å; D201-T203 PolarHBondContact O-N 2.89Å
202M30.6Very low29.8Very low60 Ų60130.2 Ų130.230%0.29668%0.675SS.*  trans-76.8104-178.9-66.2-179.5-67.300107.8I200I200-M202 PolarHBondContact O-N 2.65Å
203T30.7Very low29.8Very low71 Ų71125.8 Ų125.844%0.43666%0.664SS.*  trans-73.5146.1172.756.10000110.3D201 E205 M206D201-T203 PolarHBondContact O-N 2.89Å; T203-E205 PolarHBondContact O-N 3.32Å; T203-E205 VanDerWaalsContact O-N 3.09Å; T203-M206 PolarHBondContact O-N 3.11Å
204P31.6Very low29.6Very low104 Ų104123.5 Ų123.568%0.67566%0.657SS**G310 helixtrans-53.9-28.7178.1-27.134.6000114.1M206 M207P204-M206 PolarHBondContact O-N 3.26Å; P204-M206 VanDerWaalsContact O-N 3.14Å; P204-M207 WeakPolarHBondContact O-CB 3.25Å; P204-M207 PolarHBondContact O-N 3.43Å
205E37.7Very low29.2Very low143 Ų143121.2 Ų121.267%0.66865%0.653SS**G310 helixtrans-63.2-16.7177.8-61.1-174.4173.200113.8T203 M207T203-E205 PolarHBondContact O-N 3.32Å; T203-E205 VanDerWaalsContact O-N 3.09Å; E205-M207 VanDerWaalsContact C-N 3.29Å
206M32.3Very low29.2Very low131 Ų131118.4 Ų118.465%0.64565%0.647SS**G310 helixtrans-82.3-2.9172.2-67.1-176.259.800113.6T203 P204T203-M206 PolarHBondContact O-N 3.11Å; P204-M206 PolarHBondContact O-N 3.26Å; P204-M206 VanDerWaalsContact O-N 3.14Å
207M39.9Very low29.2Very low112 Ų112119.8 Ų119.855%0.55265%0.649SS**THydrogen-bonded Turntrans-100.6-22.6-178.1-63.3-153.9144.800114.2I35 P204 E205I35-M207 HydrophobicContact CG2-CE 4.21Å; P204-M207 WeakPolarHBondContact O-CB 3.25Å; P204-M207 PolarHBondContact O-N 3.43Å; E205-M207 VanDerWaalsContact C-N 3.29Å
208D32.8Very low29.1Very low128 Ų128121.9 Ų121.968%0.68466%0.66SS**  trans-102.796.4-175.5-61.7-25.6000110.2E210D208-E210 PolarHBondContact O-N 3.36Å
209G29.2Very low29.1Very low66 Ų66124.3 Ų124.368%0.6867%0.667SS**  trans-76.672.217100000111.4
210E25.1Very low28.9Very low167 Ų167126.4 Ų126.478%0.7867%0.67SS**  trans-98.2116.2163.7-71.8-162.4169.700109.8D208D208-E210 PolarHBondContact O-N 3.36Å
211F27.3Very low28.5Very low149 Ų149129.8 Ų129.865%0.65469%0.687SS**  trans-89.3112.9-178.7-66.1-86.5000110.1F233F211-F233 HydrophobicContact CB-CD1 4.37Å; F211-F233 HydrophobicContact CD1-CB 4.01Å; F211-F233 AromaticContact CD1-CD1 3.69Å; F211-F233 HydrophobicContact CD1-CD1 3.69Å; F211-F233 HydrophobicContact CD1-CG 4.13Å; F211-F233 HydrophobicContact CE1-CB 4.17Å; F211-F233 HydrophobicContact CE1-CD1 4.4Å; F211-F233 HydrophobicContact CE1-CG 4.45Å; F211-F233 HydrophobicContact CG-CD1 4.36Å
212I26.4Very low28.3Very low116 Ų116126.5 Ų126.560%0.59569%0.686SS**  trans-98.5119.6168.7-56.9178.2000109.6I214I212-I214 HydrophobicContact CG2-CG1 4.05Å; I212-I214 PolarHBondContact O-N 3.1Å
213Q24.8Very low28.3Very low136 Ų136130.4 Ų130.464%0.63671%0.713SS**  trans-72.2111.2168.9-125.4-179.715.600109.1
214I24.4Very low28Very low139 Ų139136.4 Ų136.471%0.71374%0.736SS**  trans-106.3114.5171.6-55.3178.5000108.6I212 S216I212-I214 HydrophobicContact CG2-CG1 4.05Å; I212-I214 PolarHBondContact O-N 3.1Å; I214-S216 PolarHBondContact O-N 2.86Å
215N23.4Very low28.1Very low143 Ų143136.9 Ų136.977%0.76574%0.742SS**  trans-68.592.1169.8-73.8-16.9000109.3H217N215-H217 PolarHBondContact O-N 2.87Å
216S27.9Very low27.7Very low108 Ų108139.2 Ų139.276%0.75575%0.75SS**  trans-75.7106.4175.459.90000110.4I214I214-S216 PolarHBondContact O-N 2.86Å
217H25Very low27.5Very low180 Ų180140.6 Ų140.683%0.83376%0.76SS**  trans-58.5141.1163-82.9-79.4000110.4N215 N219N215-H217 PolarHBondContact O-N 2.87Å; H217-N219 PolarHBondContact O-N 3.21Å
218S24.9Very low26.8Very low103 Ų103142 Ų14272%0.7277%0.769SS**  trans-53.6118.7-170.845.60000114.5
219N26.1Very low26.3Very low168 Ų168145.7 Ų145.790%0.89878%0.779SS**  trans-100.9115.5155.4-90.9-20.1000110H217 I221H217-N219 PolarHBondContact O-N 3.21Å; N219-I221 PolarHBondContact O-N 2.79Å
220K24.2Very low26.1Very low193 Ų193151 Ų15184%0.83978%0.784SS**  trans-66.7110.1179.9-65.5169.4176.4174.90110.4
221I26.2Very low26.2Very low172 Ų172148 Ų14888%0.88277%0.773SS**  trans-148.2130.7142.3-79.1115.6000106.5N219N219-I221 PolarHBondContact O-N 2.79Å
222G24.7Very low26.1Very low67 Ų67148.5 Ų148.569%0.69178%0.777SS**  trans-69.5144.6-15300000117.7
223T29.1Very low26.1Very low142 Ų142148.8 Ų148.887%0.87177%0.774SS**  -173.9140110.129.70000108.1S225T223-S225 PolarHBondContact O-N 3.32Å
224Q26Very low26.1Very low198 Ų198147.7 Ų147.793%0.92577%0.771SS**  trans-72110-166.7-61.2171.66.500111.2
225S32Very low26.1Very low113 Ų113146.3 Ų146.379%0.7977%0.772SS**  trans-128.2114.6153.558.60000108.4T223 N227T223-S225 PolarHBondContact O-N 3.32Å; S225-N227 PolarHBondContact O-N 3.14Å
226K29.6Very low26.2Very low193 Ų193143.4 Ų143.484%0.83976%0.763SS**  trans-69.6122.8-178.7-73.2175.1175.3176.60109.1
227N28.1Very low26.1Very low159 Ų159142.8 Ų142.885%0.8576%0.758SS**SBendtrans62.446151.4-60.7-19.9000119.4S225S225-N227 PolarHBondContact O-N 3.14Å
228L25.1Very low26.1Very low143 Ų143143 Ų14375%0.74976%0.757SS**  trans-112.8102.5156.2-72168.4000109.2F230L228-F230 HydrophobicContact CB-CD2 4.25Å; L228-F230 HydrophobicContact CB-CE2 4.2Å; L228-F230 PolarHBondContact O-N 2.88Å; L228-F230 VanDerWaalsContact O-N 3.1Å
229K23.4Very low26.1Very low205 Ų205143.6 Ų143.689%0.89176%0.761SS**  trans-70.299.1170.7-79180176-178.80108.2
230F25Very low26.1Very low178 Ų178142.4 Ų142.478%0.78175%0.753SS**  trans-86.3111.1166-89.3-88000109L228 Q232L228-F230 HydrophobicContact CB-CD2 4.25Å; L228-F230 HydrophobicContact CB-CE2 4.2Å; L228-F230 PolarHBondContact O-N 2.88Å; L228-F230 VanDerWaalsContact O-N 3.1Å; F230-Q232 PolarHBondContact O-N 3.38Å; F230-Q232 VanDerWaalsContact O-N 3.13Å
231N27.2Very low26.2Very low102 Ų102137.5 Ų137.555%0.54574%0.743SS.*  trans-73.399.7166.2-71.6-6.5000107.4F233N231-F233 HydrophobicContact CB-CE2 4.02Å; N231-F233 HydrophobicContact CB-CZ 4.3Å; N231-F233 WeakPolarHBondContact O-CD2 3.42Å; N231-F233 PolarHBondContact O-N 3.12Å
232Q25.1Very low26Very low160 Ų160135.8 Ų135.875%0.74874%0.741SS**  trans-88.8104.8177.4-158.9174.7-14.300108.5F230 I234F230-Q232 PolarHBondContact O-N 3.38Å; F230-Q232 VanDerWaalsContact O-N 3.13Å; Q232-I234 HydrophobicContact CG-CD1 4.2Å; Q232-I234 HydrophobicContact CG-CG1 4.06Å; Q232-I234 PolarHBondContact O-N 3.41Å
233F25.9Very low26Very low122 Ų122139.7 Ų139.754%0.53574%0.741SS.*  trans-78.9107.2174.5-62.6-86000108.6F211 N231F211-F233 HydrophobicContact CB-CD1 4.37Å; F211-F233 HydrophobicContact CD1-CB 4.01Å; F211-F233 AromaticContact CD1-CD1 3.69Å; F211-F233 HydrophobicContact CD1-CD1 3.69Å; F211-F233 HydrophobicContact CD1-CG 4.13Å; F211-F233 HydrophobicContact CE1-CB 4.17Å; F211-F233 HydrophobicContact CE1-CD1 4.4Å; F211-F233 HydrophobicContact CE1-CG 4.45Å; F211-F233 HydrophobicContact CG-CD1 4.36Å; N231-F233 HydrophobicContact CB-CE2 4.02Å; N231-F233 HydrophobicContact CB-CZ 4.3Å; N231-F233 WeakPolarHBondContact O-CD2 3.42Å; N231-F233 PolarHBondContact O-N 3.12Å
234I25.9Very low25.8Very low113 Ų113139 Ų13958%0.57974%0.737SS**  trans-117.5129.3174.4-56.3178.4000107.7Q232Q232-I234 HydrophobicContact CG-CD1 4.2Å; Q232-I234 HydrophobicContact CG-CG1 4.06Å; Q232-I234 PolarHBondContact O-N 3.41Å
235P23.9Very low25.8Very low110 Ų110136.5 Ų136.571%0.71473%0.73SS**  trans-60.4146.9176.50.22.9000111.9S237P235-S237 PolarHBondContact O-N 2.63Å
236S24.4Very low25.4Very low83 Ų83141.8 Ų141.858%0.5873%0.732SS**  trans-63.8105-174.359.70000112.4K238S236-K238 PolarHBondContact O-N 3.07Å
237S26.3Very low25.1Very low94 Ų94144 Ų14466%0.65774%0.736SS**  trans-85.687.1164.663.40000109.5P235P235-S237 PolarHBondContact O-N 2.63Å
238K25.2Very low24.9Very low184 Ų184141.6 Ų141.680%0.873%0.729SS**  trans-93.5119.4158.3-81.7-177.6179.21740107.5S236S236-K238 PolarHBondContact O-N 3.07Å
239S24.9Very low24.8Very low116 Ų116139.7 Ų139.781%0.81173%0.728SS**  trans88.649.2174.8840000118.8S241S239-S241 VanDerWaalsContact C-N 3.29Å; S239-S241 PolarHBondContact O-N 2.79Å; S239-S241 VanDerWaalsContact O-N 3.13Å
240I25.8Very low24.9Very low144 Ų144137.6 Ų137.674%0.73873%0.725SS**  trans-80.391.4149-69.5171.8000107.5T242I240-T242 PolarHBondContact O-N 2.94Å
241S26Very low24.9Very low90 Ų90137.5 Ų137.563%0.62972%0.724SS**  trans-48.4131.9154.6175.40000108.6S239 Q243S239-S241 VanDerWaalsContact C-N 3.29Å; S239-S241 PolarHBondContact O-N 2.79Å; S239-S241 VanDerWaalsContact O-N 3.13Å; S241-Q243 PolarHBondContact O-N 3.08Å
242T23.7Very low24.9Very low135 Ų135139.8 Ų139.883%0.82874%0.736SS**  trans-63.778.917951.20000110.9I240I240-T242 PolarHBondContact O-N 2.94Å
243Q24.2Very low24.9Very low150 Ų150138.6 Ų138.670%0.70174%0.735SS**  trans-108.697.2158-73.6-170.35.300107.6S241 N245S241-Q243 PolarHBondContact O-N 3.08Å; Q243-N245 PolarHBondContact O-N 3.14Å
244T24.6Very low25.2Very low128 Ų128138.1 Ų138.179%0.78574%0.744SS**  trans-60.787.8167.953.20000108.8R246T244-R246 PolarHBondContact O-N 3.37Å
245N26.3Very low25.1Very low145 Ų145139.4 Ų139.478%0.77575%0.752SS**  trans-75.166.8164.1-75.7-30.4000108.6Q243 W247Q243-N245 PolarHBondContact O-N 3.14Å; N245-W247 PolarHBondContact O-N 3.01Å
246R22.9Very low25.1Very low223 Ų223145.1 Ų145.184%0.84276%0.761SS**  trans-68.3110.4163.1-163.8176.1-166.2170.53.6104.7T244 P248T244-R246 PolarHBondContact O-N 3.37Å; R246-P248 WeakPolarHBondContact O-CD 3.47Å
247W22.8Very low25.1Very low239 Ų239148.5 Ų148.591%0.90577%0.771SS**  trans-38.5114171.1-71.785.1000109.2N245 S249N245-W247 PolarHBondContact O-N 3.01Å; W247-S249 PolarHBondContact O-N 2.79Å; W247-S249 VanDerWaalsContact O-N 3.15Å
248P23.9Very low24.9Very low109 Ų109149.6 Ų149.671%0.70877%0.774SS**  trans-68.7119.1175.22.97.1000106.6R246 I250R246-P248 WeakPolarHBondContact O-CD 3.47Å; P248-I250 PolarHBondContact O-N 2.87Å
249S23.6Very low24.9Very low104 Ų104149 Ų14973%0.72777%0.773SS**  trans-55.6104.6164.145.50000107.6W247 K251W247-S249 PolarHBondContact O-N 2.79Å; W247-S249 VanDerWaalsContact O-N 3.15Å; S249-K251 VanDerWaalsContact C-N 3.26Å; S249-K251 PolarHBondContact O-N 2.92Å
250I25.9Very low24.8Very low161 Ų161150 Ų15083%0.82677%0.769SS**  trans-66.993.1176.6-67.5172.9000107.3P248P248-I250 PolarHBondContact O-N 2.87Å
251K25.6Very low24.6Very low176 Ų176148 Ų14877%0.76577%0.768SS**  trans-75.5124.4153.2-75.5-178.5174.9179.90107.3S249S249-K251 VanDerWaalsContact C-N 3.26Å; S249-K251 PolarHBondContact O-N 2.92Å
252N26.2Very low24.5Very low149 Ų149149.2 Ų149.280%0.79778%0.776SS**  trans49.498.1146-58.9-6.5000117.8
253N25.7Very low24.5Very low136 Ų136150.7 Ų150.773%0.72778%0.778SS**  trans-73.5123.6152.1-173.6-4.1000108.9N255N253-N255 PolarHBondContact O-N 2.82Å; N253-N255 VanDerWaalsContact O-N 3.09Å
254P31.2Very low24.8Very low112 Ų112149 Ų14973%0.72778%0.78SS**SBendtrans-83.484.8-177.633.8-32.6000110.1
255N24.5Very low24.6Very low139 Ų139154 Ų15474%0.74378%0.784SS**  trans-154.657.4159.7-92.2-34.3000109N253N253-N255 PolarHBondContact O-N 2.82Å; N253-N255 VanDerWaalsContact O-N 3.09Å
256Y24.3Very low24.2Very low230 Ų230151.7 Ų151.790%0.90278%0.78SS**SBendtrans-160124.1147.9-98.8-72.5000108.3T258Y256-T258 PolarHBondContact O-N 2.74Å
257I24.5Very low24.2Very low154 Ų154151.9 Ų151.979%0.7978%0.782SS**  trans-60.3126.5176.9-70167.3000108.8
258T21.5Very low24.4Very low118 Ų118145.4 Ų145.472%0.72477%0.771SS**  trans-73.1128.9178.646.50000111.8Y256Y256-T258 PolarHBondContact O-N 2.74Å
259H24.1Very low24.3Very low170 Ų170146 Ų14679%0.78777%0.773SS**  trans-133.597.5148.2-81.5-82.1000110
260L23Very low24.2Very low139 Ų139149.5 Ų149.573%0.72878%0.778SS**  trans44113.6140.6-76.384.9000120.9
261S21.7Very low23.9Very low102 Ų102149.3 Ų149.371%0.71378%0.779SS**  20.7119.8119.159.50000120
262S25.5Very low23.6Very low114 Ų114145.2 Ų145.280%0.79777%0.772SS**  trans171.4108.7135.241.20000105.8
263L22.2Very low23.4Very low167 Ų167146.5 Ų146.587%0.87477%0.773SS**  34.5137.764.6-81.1155.8000113.9
264P30.4Very low23.2Very low114 Ų114144.8 Ų144.874%0.7477%0.771SS**  -101.4172.9-125.537.3-30000111.5
265R20.8Very low22.7Very low232 Ų232149.6 Ų149.688%0.87578%0.777SS**  trans138.3128.6132.2-161.7174.1-140.5-117.50.5114.3
266S18.8Very low22.7Very low98 Ų98152.3 Ų152.369%0.68579%0.785SS**  trans62.1114.5148.862.40000121.6
267Y21.4Very low22.5Very low226 Ų226146.2 Ų146.289%0.88678%0.775SS**  trans-41.8156.4138.4-66.8-82.8000111.9
268P27.4Very low22.7Very low104 Ų104146.6 Ų146.668%0.67578%0.778SS**  cis-152.9178.738.242.3-20.6000118.3
269T21.3Very low22.8Very low121 Ų121145.7 Ų145.774%0.74278%0.777SS**  trans79.4143.8148.7660000122.5
270Q22Very low22.8Very low178 Ų178142.7 Ų142.783%0.83278%0.775SS**  trans87.895.6162.6-53.6-168.7-2.500115.5
271N18.8Very low23Very low157 Ų157141.2 Ų141.284%0.8478%0.777SS**  67.4127.469.7-135.218.1000114.6
272S20.5Very low23.2Very low89 Ų89141.7 Ų141.762%0.62278%0.78SS**  trans89121.315181.10000121
273H22.2Very low23.5Very low177 Ų177141.5 Ų141.582%0.81978%0.778SS**  trans60138.1148.5-55.9-58.1000117.8
274S20.2Very low23.7Very low99 Ų99138.6 Ų138.669%0.69277%0.772SS**  cis-175.4145.834.3320000109.7
275Y21.6Very low23.7Very low214 Ų214138.6 Ų138.684%0.83978%0.775SS**  trans16.2127.1145.2-58.2-86.5000120.2
276Q25.1Very low24.6Very low196 Ų196133.2 Ų133.292%0.91677%0.77SS**  -170141.7105.5-104.2174.60.200113.2
277S19.5Very low25.4Very low101 Ų101134.8 Ų134.871%0.70678%0.778SS**  trans-95.9149.3-175420000112.7
278L29.5Very low25.8Very low162 Ų162129.5 Ų129.585%0.84877%0.774SS**  trans-163.5106147-87.2123.7000106.5
279S22.9Very low26.2Very low99 Ų99130.1 Ų130.169%0.69278%0.778SS**  42.9132.480.870.60000113.1
280S23.4Very low26.7Very low107 Ų107130.1 Ų130.175%0.74878%0.78SS**  cis175.8173.116.538.10000108.7
281S28.3Very low27.3Very low109 Ų109127.3 Ų127.376%0.76278%0.777SS**  trans104.6112.8165.474.40000114.4
282S24.6Very low27.9Very low111 Ų111125.5 Ų125.578%0.77677%0.774SS**  cis98.2100.335.172.90000113.6
283S31.9Very low28.2Very low110 Ų110126.6 Ų126.677%0.76978%0.781SS**  trans178.5112.514145.70000106.5
284S27.2Very low28.7Very low107 Ų107124.2 Ų124.275%0.74878%0.782SS**  cis75.3111.349.976.70000115.3
285S30.9Very low29Very low113 Ų113125.6 Ų125.679%0.7979%0.786SS**  trans115.3155.7146.8-35.30000116.4
286P39.8Very low29.2Very low119 Ų119121 Ų12177%0.77379%0.786SS**  -121.5-176.9-111.213.814000114
287P34.3Very low29.3Very low131 Ų131116.9 Ų116.985%0.85178%0.778SS**  trans-98.5150.4-16437.3-31000114.9
288S30.6Very low29.5Very low115 Ų115118 Ų11880%0.80479%0.786SS**  trans-139.5153.6171.741.80000111.4
289P34.9Very low29.3Very low118 Ų118115.7 Ų115.777%0.76678%0.784SS**PPolyproline II helixtrans-92.5171.8-144.111.16.8000115.7
290P32.9Very low29.3Very low121 Ų121116.6 Ų116.679%0.78679%0.79SS**PPolyproline II helixtrans-85.2147.1-164.434.1-33.6000113.5
291P34.4Very low29.3Very low119 Ų119117.3 Ų117.377%0.77380%0.795SS**PPolyproline II helixtrans-80.6156.617132.6-31.6000111.9
292P31.4Very low29.1Very low118 Ų118114.9 Ų114.977%0.76679%0.787SS**PPolyproline II helixtrans-82.1151.7-167.133-34.5000113.8
293S25.8Very low29Very low112 Ų112120.3 Ų120.378%0.78379%0.792SS**PPolyproline II helixtrans-53125174.445.70000114.3
294P34.4Very low28.7Very low127 Ų127124.7 Ų124.783%0.82580%0.798SS**PPolyproline II helixtrans-85.9125.5163.77.88.8000110.6
295T26.6Very low28.5Very low128 Ų128128.6 Ų128.679%0.78580%0.801SS**PPolyproline II helixtrans-60.3144.3170.642.80000112.5
296S24Very low28.2Very low119 Ų119130.3 Ų130.383%0.83280%0.802SS**  trans-44.3126.6168.550.90000114.7
297S28.2Very low27.7Very low109 Ų109129.4 Ų129.476%0.76280%0.796SS**  trans-146.9118.4142.758.50000109.6S299S297-S299 PolarHBondContact O-N 3.09Å
298S23.3Very low27.2Very low125 Ų125130.2 Ų130.287%0.87479%0.793SS**  trans-51120.517046.80000112.9
299S25.4Very low27.1Very low113 Ų113134.7 Ų134.779%0.7980%0.798SS**  trans-128.5102.6157.156.40000109S297 S301S297-S299 PolarHBondContact O-N 3.09Å; S299-S301 PolarHBondContact O-N 3.44Å
300S22.6Very low26.6Very low118 Ų118136.1 Ų136.183%0.82580%0.804SS**  trans-57.5113.5161.1162.90000109.6
301S24Very low26.2Very low122 Ų122135.5 Ų135.585%0.85380%0.803SS**  trans-177.8136.2155.8-82.10000110S299S299-S301 PolarHBondContact O-N 3.44Å
302G23.6Very low25.9Very low57 Ų57135.5 Ų135.559%0.58881%0.806SS**  trans125.590.1157.100000115F304G302-F304 PolarHBondContact O-N 2.87Å
303Y23.3Very low25.5Very low225 Ų225134.7 Ų134.788%0.88280%0.802SS**  trans-49.1115.6157.6-70.2-97.2000110.4
304F25.1Very low25.6Very low203 Ų203137.3 Ų137.389%0.8981%0.807SS**  trans-100.197.3161.6-82.9-83.5000108.8G302 N306G302-F304 PolarHBondContact O-N 2.87Å; F304-N306 PolarHBondContact O-N 2.81Å
305F22.4Very low25.3Very low188 Ų188136.8 Ų136.883%0.82580%0.804SS**  trans-56.8126.7157-100.3-97.4000108.5P307F305-P307 WeakPolarHBondContact O-CD 3.34Å
306N26Very low25.1Very low150 Ų150138.3 Ų138.380%0.80281%0.807SS**  trans-110.795.8167.5-167.76000108.4F304 N308F304-N306 PolarHBondContact O-N 2.81Å; N306-N308 PolarHBondContact O-N 3.16Å
307P29Very low25.3Very low99 Ų99138.4 Ų138.464%0.64381%0.807SS**  trans-87.197.8175.932.5-23.9000106.9F305F305-P307 WeakPolarHBondContact O-CD 3.34Å
308N23Very low25.1Very low149 Ų149138.7 Ų138.780%0.79781%0.805SS**  trans177.584.2157.3-87.5-23.7000111.3N306N306-N308 PolarHBondContact O-N 3.16Å
309K29Very low25.2Very low209 Ų209143.4 Ų143.491%0.90981%0.805SS**  trans-171.3103.4132.7-113.5175.1178.3-179.50112.6
310V24.3Very low25.3Very low148 Ų148146 Ų14690%0.89781%0.81SS**  trans-9.7116.4158.4-164.50000116
311S23.5Very low25.4Very low108 Ų108147 Ų14776%0.75581%0.812SS**  trans-81.9118.6167177.70000109.6S313S311-S313 PolarHBondContact O-N 3.25Å
312S28.5Very low25.5Very low119 Ų119149.8 Ų149.883%0.83281%0.813SS**  trans-80.7104.9165.553.60000109
313S24Very low25.7Very low100 Ų100154.8 Ų154.870%0.69983%0.825SS**  trans-77.1129.3175.851.20000112.3S311S311-S313 PolarHBondContact O-N 3.25Å
314L27.2Very low25.7Very low168 Ų168155.7 Ų155.788%0.8883%0.827SS**  trans-172.7148.8150-97.5150.5000108.1
315P28.8Very low25.6Very low116 Ų116153.6 Ų153.675%0.75382%0.824SS**  -112.1156.7-99.736.1-28000114.6
316D22.9Very low25.7Very low159 Ų159150.3 Ų150.385%0.8582%0.822SS**  trans-55.9124.5-179.6-63.7-48.8000113.6
317S27.1Very low25.8Very low121 Ų121154.8 Ų154.885%0.84683%0.827SS**  trans-85.6117.7158.756.90000109.3Y319S317-Y319 PolarHBondContact O-N 3Å
318T24.6Very low25.7Very low116 Ų116157.3 Ų157.371%0.71284%0.835SS**  trans-77.2103-172.147.10000112.4
319Y25.6Very low26Very low223 Ų223157.5 Ų157.588%0.87584%0.835SS**  trans-149.862152.4-75.9-71.2000110.4S317S317-Y319 PolarHBondContact O-N 3Å
320N26.4Very low25.8Very low167 Ų167155 Ų15589%0.89383%0.831SS**  trans-124.575.8167.7-89.1-31.2000109.6
321T25.4Very low26Very low141 Ų141155.6 Ų155.687%0.86583%0.828SS**  trans-130.673.6162.237.60000108.9
322M25.6Very low26.1Very low180 Ų180159.1 Ų159.189%0.88783%0.829SS**  trans-115.2115.9157.5-154.2176.9-62.600108.5R324M322-R324 PolarHBondContact O-N 2.82Å
323I27.2Very low25.9Very low162 Ų162162.7 Ų162.783%0.83183%0.833SS**PPolyproline II helixtrans-54.5119.9-172.5-66.9160.4000110.2L325I323-L325 PolarHBondContact O-N 3.47Å
324R23.5Very low25.9Very low243 Ų243162 Ų16292%0.91783%0.829SS**PPolyproline II helixtrans-75.3117.7174.9-80.5-179.1172171.1-1.5110.1M322M322-R324 PolarHBondContact O-N 2.82Å
325L24.1Very low25.7Very low160 Ų160162 Ų16284%0.83883%0.829SS**PPolyproline II helixtrans-75.3136.9163.1-76.4155.9000109.9I323 R327I323-L325 PolarHBondContact O-N 3.47Å; L325-R327 PolarHBondContact O-N 2.87Å
326P24.8Very low25.5Very low119 Ų119162.6 Ų162.677%0.77383%0.825SS**PPolyproline II helixtrans-75.1118.1-172.528.7-32000111.3
327R27.5Very low25.4Very low243 Ų243158.9 Ų158.992%0.91782%0.816SS**  trans-10283.9163.7-84.6-173.9179.1153.20.1109.4L325L325-R327 PolarHBondContact O-N 2.87Å
328N26.1Very low25.3Very low153 Ų153160.7 Ų160.782%0.81882%0.815SS**  trans-118.178.5162.7-79.6-12000109
329I30.3Very low25.2Very low153 Ų153165 Ų16579%0.78582%0.819SS**  trans-131.395.6150-59.9179.1000106.7L331I329-L331 HydrophobicContact CG2-CG 4.22Å; I329-L331 PolarHBondContact O-N 2.85Å
330L24.9Very low25.1Very low157 Ų157161.7 Ų161.782%0.82281%0.812SS**  trans-79.783.6179.6-145.6149.5000107.1K332L330-K332 PolarHBondContact O-N 2.95Å
331L27.9Very low25Very low160 Ų160160.7 Ų160.784%0.83881%0.805SS**  trans-82.4100.8166.3-78.7170000107.9I329 Q333I329-L331 HydrophobicContact CG2-CG 4.22Å; I329-L331 PolarHBondContact O-N 2.85Å; L331-Q333 PolarHBondContact O-N 3.44Å
332K25.4Very low24.9Very low181 Ų181160.6 Ų160.679%0.78780%0.8SS**  trans-41.1128.9168-83.6176171.3177.20110.1L330 S334L330-K332 PolarHBondContact O-N 2.95Å; K332-S334 PolarHBondContact O-N 3.3Å
333Q24.3Very low24.9Very low194 Ų194158.7 Ų158.791%0.90779%0.788SS**  trans-52.798.4161.8-73.4166.8-23.900108.7L331L331-Q333 PolarHBondContact O-N 3.44Å
334S24.6Very low24.7Very low87 Ų87157.9 Ų157.961%0.60879%0.791SS**  trans-86119.2158.649.60000107.3K332 I336K332-S334 PolarHBondContact O-N 3.3Å; S334-I336 VanDerWaalsContact C-N 3.27Å; S334-I336 PolarHBondContact O-N 3.07Å
335N22.8Very low24.8Very low166 Ų166151.9 Ų151.989%0.88878%0.776SS**  trans-6189.5168.3-69.3-34.3000108.7A337N335-A337 PolarHBondContact O-N 3.47Å
336I24.3Very low24.8Very low130 Ų130151.6 Ų151.667%0.66778%0.775SS**  trans-9299.7170.8-65.3171.2000106.6S334 I338S334-I336 VanDerWaalsContact C-N 3.27Å; S334-I336 PolarHBondContact O-N 3.07Å; I336-I338 PolarHBondContact O-N 3.4Å; I336-I338 VanDerWaalsContact O-N 3.15Å
337A21.7Very low24.9Very low81 Ų81152.5 Ų152.567%0.66977%0.773SS**  trans-60.2110.1165.600000108.5N335 Y339N335-A337 PolarHBondContact O-N 3.47Å; A337-Y339 PolarHBondContact O-N 2.82Å
338I24.2Very low24.8Very low158 Ų158145.6 Ų145.681%0.8176%0.762SS**  trans-81.3106.8174.6-62.9176000107.2I336I336-I338 PolarHBondContact O-N 3.4Å; I336-I338 VanDerWaalsContact O-N 3.15Å
339Y23.3Very low24.7Very low206 Ų206145.2 Ų145.281%0.80876%0.76SS**  trans-63.2131.3167.6-78.7-88000110.2A337 L341A337-Y339 PolarHBondContact O-N 2.82Å; Y339-L341 PolarHBondContact O-N 2.82Å
340H23.5Very low24.4Very low155 Ų155149.2 Ų149.272%0.71877%0.765SS**  trans-49.6113.9164.2-103.3-93.5000110.5
341L24.8Very low24.5Very low145 Ų145146.6 Ų146.676%0.75976%0.76SS**  trans-108.483.6165.7-150.682.7000109.6Y339 Q343Y339-L341 PolarHBondContact O-N 2.82Å; L341-Q343 PolarHBondContact O-N 3.49Å
342N22.9Very low24.5Very low140 Ų140146.2 Ų146.275%0.74976%0.759SS**  trans-79.197.5156.9-78.6-17.3000107.5
343Q25Very low24.7Very low139 Ų139147.4 Ų147.465%0.6576%0.764SS**  trans-134.4100158.9-73.8-170.130.200110.1L341 I345L341-Q343 PolarHBondContact O-N 3.49Å; Q343-I345 PolarHBondContact O-N 3.04Å
344T23.6Very low24.7Very low146 Ų146143.8 Ų143.890%0.89676%0.76SS**  trans-59.9104.4154.646.10000109
345I25.1Very low24.9Very low116 Ų116146.4 Ų146.460%0.59577%0.772SS**  trans-136.5116.1160.9-62.7-177000108.8Q343 L347Q343-I345 PolarHBondContact O-N 3.04Å; I345-L347 HydrophobicContact CG2-CD1 4.41Å; I345-L347 PolarHBondContact O-N 3.38Å; I345-L347 VanDerWaalsContact O-N 3.15Å
346N24.3Very low25Very low154 Ų154147.5 Ų147.582%0.82477%0.772SS**  trans-40.3112.1159.1-76.6-41.2000110.6
347L27.3Very low25Very low139 Ų139150.7 Ų150.773%0.72878%0.781SS**  trans-120.368.4163.3-83.4132.4000108.4I345I345-L347 HydrophobicContact CG2-CD1 4.41Å; I345-L347 PolarHBondContact O-N 3.38Å; I345-L347 VanDerWaalsContact O-N 3.15Å
348S24Very low25.1Very low97 Ų97154.9 Ų154.968%0.67879%0.791SS**  trans-56.6129138.149.90000107.9
349N23.8Very low25.2Very low146 Ų146153.4 Ų153.478%0.78179%0.789SS**  trans79.582.2177.4-54-18.2000116.5
350R25.7Very low25.2Very low237 Ų237153 Ų15389%0.89479%0.794SS**  -157139.4128.1-127.3174.4177.6174.5-1.3113.2
351S26Very low25.4Very low101 Ų101156.2 Ų156.271%0.70680%0.8SS**  trans-63.2145.3-171.850.70000115.8
352D27.1Very low25.4Very low153 Ų153153.9 Ų153.982%0.81880%0.796SS**SBendtrans12.7132.6145.4-62.8-30.4000119.5
353K29.6Very low25.4Very low206 Ų206155.1 Ų155.190%0.89680%0.801SS**SBendtrans96.856.8166.7-53.3179.4-178.2179.80117
354S26.1Very low25.3Very low117 Ų117153.3 Ų153.382%0.81880%0.804SS**  trans-165.648.615156.60000113.7
355V27.7Very low25.4Very low142 Ų142150.5 Ų150.586%0.86179%0.788SS**  trans-91.2-6.6176.8-177.20000113.3K357V355-K357 PolarHBondContact O-N 3.14Å
356H24.6Very low25.4Very low190 Ų190150.6 Ų150.688%0.8879%0.787SS**SBendtrans-98.769.2176-78.3-83.7000113.1
357K25.1Very low25.3Very low197 Ų197152.6 Ų152.686%0.85778%0.784SS**SBendtrans-170.315.3153.6-124.7174.4178.2175.60119.6V355V355-K357 PolarHBondContact O-N 3.14Å
358L23.8Very low25.4Very low168 Ų168149 Ų14988%0.8877%0.77SS**  trans-126.359.5-179.7-69171.9000112.7
359V25.9Very low25.4Very low127 Ų127148.1 Ų148.177%0.7776%0.763SS**  trans-137.753.5160.8-164.10000109.9
360E24.3Very low25.3Very low198 Ų198147.7 Ų147.793%0.92576%0.761SS**  trans-101.172.4147.6-80.3-176172.100106.2S362E360-S362 VanDerWaalsContact C-N 3.33Å; E360-S362 PolarHBondContact O-N 3.47Å
361R26.9Very low25.4Very low222 Ų222142 Ų14284%0.83875%0.753SS**  trans-71.295.2173.3-86.7-178.1174.2163.9-1108.3I363R361-I363 PolarHBondContact O-N 2.66Å
362S25Very low25.4Very low96 Ų96143.7 Ų143.767%0.67175%0.754SS**  trans22.1100.7144.959.30000115.7E360 S364E360-S362 VanDerWaalsContact C-N 3.33Å; E360-S362 PolarHBondContact O-N 3.47Å; S362-S364 VanDerWaalsContact C-N 3.33Å; S362-S364 PolarHBondContact O-N 2.86Å
363I23.4Very low25.5Very low167 Ų167147.6 Ų147.686%0.85676%0.757SS**  trans-63.995.9159.2-59.4165.4000106.7R361 P365R361-I363 PolarHBondContact O-N 2.66Å; I363-P365 VanDerWaalsContact O-CD 3.26Å; I363-P365 WeakPolarHBondContact O-CD 3.44Å
364S22.5Very low25.4Very low101 Ų101144.6 Ų144.671%0.70675%0.751SS**  trans-85.7109.2161.7-66.30000107.3S362 M366S362-S364 VanDerWaalsContact C-N 3.33Å; S362-S364 PolarHBondContact O-N 2.86Å; S364-M366 PolarHBondContact O-N 3.22Å
365P25.2Very low25.5Very low87 Ų87150.5 Ų150.557%0.56576%0.757SS**  trans-58137.8168.423-30.3000109.1I363 Y367I363-P365 VanDerWaalsContact O-CD 3.26Å; I363-P365 WeakPolarHBondContact O-CD 3.44Å; P365-Y367 HydrophobicContact CG-CE2 4.45Å; P365-Y367 PolarHBondContact O-N 2.98Å
366M25Very low25.3Very low117 Ų117154.9 Ų154.958%0.57676%0.758SS**  trans-53106.6177.8-72.5-179.69800109.9Y47 S364Y47-M366 HydrophobicContact CE1-SD 4.16Å; S364-M366 PolarHBondContact O-N 3.22Å
367Y23.3Very low25.3Very low196 Ų196152.4 Ų152.477%0.76975%0.751SS**  trans-86.2118.2160.6-81.2-82.9000107.7P365P365-Y367 HydrophobicContact CG-CE2 4.45Å; P365-Y367 PolarHBondContact O-N 2.98Å
368P28.3Very low25.3Very low65 Ų65152.6 Ų152.642%0.42275%0.748SS.*  trans-66.3156.7176.627.4-32.2000110.7N370 R450P368-N370 PolarHBondContact O-N 3.24Å; P368-R450 VanDerWaalsContact CB-NH1 3.28Å
369S23.4Very low25.4Very low77 Ų77152.2 Ų152.254%0.53875%0.747SS.*  trans-48.1114.3168.6530000109.4T371S369-T371 PolarHBondContact O-N 2.82Å
370N22.9Very low25.5Very low137 Ų137157 Ų15773%0.73375%0.753SS**  trans-66.499-178.4-163.5-0.7000109P368 D372P368-N370 PolarHBondContact O-N 3.24Å; N370-D372 PolarHBondContact OD1-N 3.24Å
371T28.2Very low25.7Very low118 Ų118157.1 Ų157.172%0.72475%0.75SS**  trans-107.639.7167.758.60000110.7S369 R373S369-T371 PolarHBondContact O-N 2.82Å; T371-R373 PolarHBondContact O-N 3.22Å
372D24.4Very low25.8Very low136 Ų136151.8 Ų151.873%0.72775%0.747SS**  trans-82101.7159.7-78.6-25.9000108.5N370 N374N370-D372 PolarHBondContact OD1-N 3.24Å; D372-N374 PolarHBondContact O-N 3.31Å
373R30.5Very low25.9Very low236 Ų236151.2 Ų151.289%0.89174%0.736SS**SBendtrans-62.39.2-178.4-89.6-176177.6174.30.7115.5T371T371-R373 PolarHBondContact O-N 3.22Å
374N27.5Very low26.1Very low143 Ų143150.8 Ų150.877%0.76573%0.73SS**  trans-130.256.8-172.8-73.3-22.5000113.2D372D372-N374 PolarHBondContact O-N 3.31Å
375Y28.2Very low26.3Very low240 Ų240151.4 Ų151.494%0.94173%0.726SS**  trans-147.369.2149.5-96.8-81.8000109
376R22.7Very low26.6Very low235 Ų235155.2 Ų155.289%0.88773%0.73SS**  trans-91.196.1160.8-83.9-175.7173.7162.4-2.1107.7
377N23.9Very low26.7Very low138 Ų138155.6 Ų155.674%0.73873%0.734SS**  trans-170.6118.6142.9-101.7-16.1000111
378Y26.2Very low27.1Very low201 Ų201150.2 Ų150.279%0.78872%0.717SS**  trans52.3106.8154.7-63.9-85000119.5
379D25.7Very low27.2Very low160 Ų160151.8 Ų151.886%0.85672%0.722SS**  -159.8111.9101.4-107-25.5000111.7K381D379-K381 PolarHBondContact O-N 3.18Å
380Y27.8Very low27.7Very low228 Ų228151.8 Ų151.889%0.89472%0.716SS**  trans-79.592.8174.4-119.3-95.3000107.5
381K28.4Very low28.4Very low200 Ų200150 Ų15087%0.8771%0.706SS**  trans152.482.5152.8-83.8160.8-175.2-176.30110.3D379D379-K381 PolarHBondContact O-N 3.18Å
382S28.7Very low28.8Very low109 Ų109148.2 Ų148.276%0.76269%0.692SS**SBendtrans-175.5137.4141.245.40000111.9
383N27.2Very low29.6Very low84 Ų84145.7 Ų145.745%0.44968%0.679SS.*  trans7073.1160.1-65.4-24.7000119.6N385 Y386N383-N385 PolarHBondContact O-N 3.31Å; N383-Y386 PolarHBondContact O-N 3.05Å
384H28.8Very low30.4Very low158 Ų158137 Ų13773%0.73165%0.651SS**Hα-helixtrans-54.6-13.3156.6-140.560.1000113.8I388H384-I388 WeakPolarHBondContact O-CD1 3.27Å; H384-I388 WeakPolarHBondContact O-CG1 3.44Å
385N26.6Very low31Very low114 Ų114135.5 Ų135.561%0.6164%0.639SS**Hα-helixtrans-82.2-19.4179.9-69.8-11.2000114.7N383N383-N385 PolarHBondContact O-N 3.31Å
386Y30.3Very low31.7Very low167 Ų167127.5 Ų127.566%0.65561%0.612SS**Hα-helixtrans-79.7-33.3-178-122.3-85.5000112.9N383 N390N383-Y386 PolarHBondContact O-N 3.05Å; Y386-N390 PolarHBondContact O-N 2.91Å
387L27.6Very low33.1Very low126 Ų126118.5 Ų118.566%0.6658%0.582SS**Hα-helixtrans-71.3-31.3177.2-79.6158.8000112.4N391L387-N391 PolarHBondContact O-N 2.69Å
388I31.7Very low34.5Very low83 Ų83118.5 Ų118.543%0.42658%0.577SS.*Hα-helixtrans-71.7-40.9178.7-60.2170.8000110.5H384 N392H384-I388 WeakPolarHBondContact O-CD1 3.27Å; H384-I388 WeakPolarHBondContact O-CG1 3.44Å; I388-N392 WeakPolarHBondContact O-CB 3.4Å; I388-N392 PolarHBondContact O-N 3.41Å; I388-N392 VanDerWaalsContact O-N 3.15Å; I388-N392 PolarHBondContact O-ND2 2.93Å
389N31.1Very low35.7Very low97 Ų97114.2 Ų114.252%0.51957%0.567SS.*Hα-helixtrans-70.6-35.6-179-80.9-2.5000113.9N393N389-N393 WeakPolarHBondContact O-CB 3.01Å; N389-N393 VanDerWaalsContact O-CG 3.23Å; N389-N393 PolarHBondContact O-N 2.93Å; N389-N393 PolarHBondContact O-ND2 3.27Å
390N34.2Very low37.5Very low78 Ų78111.6 Ų111.642%0.41755%0.545SS..Hα-helixtrans-72.4-38.6-179.6-80.4-7000113Y386 N393 N394Y386-N390 PolarHBondContact O-N 2.91Å; N390-N393 PolarHBondContact O-N 3.4Å; N390-N394 PolarHBondContact O-N 2.99Å
391N37.3Very low39.6Very low98 Ų98102.4 Ų102.452%0.52451%0.511SS..Hα-helixtrans-67.2-41.1173.8-79.6-8.9000111.1L387 N393 N394 Q395L387-N391 PolarHBondContact O-N 2.69Å; N391-N393 VanDerWaalsContact C-N 3.35Å; N391-N393 PolarHBondContact O-N 3.02Å; N391-N394 PolarHBondContact O-N 2.93Å; N391-Q395 VanDerWaalsContact O-CB 3.24Å; N391-Q395 WeakPolarHBondContact O-CB 3.32Å; N391-Q395 VanDerWaalsContact O-CG 3.28Å; N391-Q395 WeakPolarHBondContact O-CG 3.12Å; N391-Q395 PolarHBondContact O-N 2.84Å
392N36.1Very low42.4Very low81 Ų8194.7 Ų94.743%0.43348%0.478SS..Hα-helixtrans-62-41.2175.4-71.7-10.2000111.7I388 L396I388-N392 WeakPolarHBondContact O-CB 3.4Å; I388-N392 PolarHBondContact O-N 3.41Å; I388-N392 VanDerWaalsContact O-N 3.15Å; I388-N392 PolarHBondContact O-ND2 2.93Å; N392-L396 WeakPolarHBondContact O-CA 3.45Å; N392-L396 WeakPolarHBondContact O-CB 3.39Å; N392-L396 PolarHBondContact O-N 2.96Å
393N41.7Very low45.2Very low83 Ų8391.1 Ų91.144%0.44445%0.449SS..Hα-helixtrans-69.7-41179.5-73-22.1000113N389 N390 N391 N397N389-N393 WeakPolarHBondContact O-CB 3.01Å; N389-N393 VanDerWaalsContact O-CG 3.23Å; N389-N393 PolarHBondContact O-N 2.93Å; N389-N393 PolarHBondContact O-ND2 3.27Å; N390-N393 PolarHBondContact O-N 3.4Å; N391-N393 VanDerWaalsContact C-N 3.35Å; N391-N393 PolarHBondContact O-N 3.02Å; N393-N397 WeakPolarHBondContact O-CB 2.99Å; N393-N397 PolarHBondContact O-N 2.78Å; N393-N397 PolarHBondContact O-ND2 3.15Å; N393-N397 VanDerWaalsContact O-ND2 3.07Å
394N46.4Very low48.2Very low55 Ų5587.2 Ų87.229%0.29443%0.428SS..Hα-helixtrans-68.8-43.2176.7-70.6-18.3000111.5N390 N391 N397 E398N390-N394 PolarHBondContact O-N 2.99Å; N391-N394 PolarHBondContact O-N 2.93Å; N394-N397 PolarHBondContact O-N 2.8Å; N394-E398 PolarHBondContact O-N 2.86Å
395Q40.8Very low51.3Low110 Ų11079.7 Ų79.751%0.51439%0.393SS..Hα-helixtrans-62.7-44173.2-74.7179.9-1000111.4N391 N397 E398 L399N391-Q395 VanDerWaalsContact O-CB 3.24Å; N391-Q395 WeakPolarHBondContact O-CB 3.32Å; N391-Q395 VanDerWaalsContact O-CG 3.28Å; N391-Q395 WeakPolarHBondContact O-CG 3.12Å; N391-Q395 PolarHBondContact O-N 2.84Å; Q395-N397 PolarHBondContact O-N 3.24Å; Q395-E398 PolarHBondContact O-N 3.33Å; Q395-L399 WeakPolarHBondContact O-CB 2.98Å; Q395-L399 WeakPolarHBondContact O-CD1 3.26Å; Q395-L399 WeakPolarHBondContact O-CG 3.41Å; Q395-L399 PolarHBondContact O-N 3.1Å
396L43.2Very low54.3Low73 Ų7375.1 Ų75.138%0.38237%0.368SS..Hα-helixtrans-63.9-30.7177.9-171.474000112.1N392 R400N392-L396 WeakPolarHBondContact O-CA 3.45Å; N392-L396 WeakPolarHBondContact O-CB 3.39Å; N392-L396 PolarHBondContact O-N 2.96Å; L396-R400 VanDerWaalsContact CD2-NH1 3.27Å; L396-R400 VanDerWaalsContact O-CG 3.3Å; L396-R400 WeakPolarHBondContact O-CG 3.21Å; L396-R400 PolarHBondContact O-N 3.47Å
397N50.8Low57.1Low46 Ų4667.2 Ų67.225%0.24634%0.337CS..Hα-helixtrans-78.9-40.1177.1-69.2-21.1000112.5N393 N394 Q395 R400N393-N397 WeakPolarHBondContact O-CB 2.99Å; N393-N397 PolarHBondContact O-N 2.78Å; N393-N397 PolarHBondContact O-ND2 3.15Å; N393-N397 VanDerWaalsContact O-ND2 3.07Å; N394-N397 PolarHBondContact O-N 2.8Å; Q395-N397 PolarHBondContact O-N 3.24Å; N397-R400 PolarHBondContact O-N 2.95Å
398E53.9Low60.1Low137 Ų13761.2 Ų61.264%0.6431%0.306SS*.Hα-helixtrans-64.2-41170.3-75.9-177.2166.600111.4N394 Q395 R400 M401N394-E398 PolarHBondContact O-N 2.86Å; Q395-E398 PolarHBondContact O-N 3.33Å; E398-R400 VanDerWaalsContact C-N 3.26Å; E398-R400 PolarHBondContact O-N 3.06Å; E398-M401 PolarHBondContact O-N 3.36Å
399L52.3Low63Low111 Ų11157.3 Ų57.358%0.58129%0.285SS*.Hα-helixtrans-64.9-25.3176.7-72.9167.9000113.2Q395 E402Q395-L399 WeakPolarHBondContact O-CB 2.98Å; Q395-L399 WeakPolarHBondContact O-CD1 3.26Å; Q395-L399 WeakPolarHBondContact O-CG 3.41Å; Q395-L399 PolarHBondContact O-N 3.1Å; L399-E402 WeakPolarHBondContact O-CB 3.25Å
400R63.1Low66.1Low106 Ų10652.7 Ų52.740%0.426%0.261SS..Hα-helixtrans-78.5-34.8178.9-85.9-176.8-178.5120.72.1114L396 N397 E398 E402 E403L396-R400 VanDerWaalsContact CD2-NH1 3.27Å; L396-R400 VanDerWaalsContact O-CG 3.3Å; L396-R400 WeakPolarHBondContact O-CG 3.21Å; L396-R400 PolarHBondContact O-N 3.47Å; N397-R400 PolarHBondContact O-N 2.95Å; E398-R400 VanDerWaalsContact C-N 3.26Å; E398-R400 PolarHBondContact O-N 3.06Å; R400-E402 PolarHBondContact O-N 3Å; R400-E403 PolarHBondContact O-N 3.46Å
401M72.1Confident69Low34 Ų3449 Ų4917%0.16724%0.241CC..Hα-helixtrans-64.4-27.9174.9-63.1-173.6-16600111.3E398 E403 F404 H405 W445 F447E398-M401 PolarHBondContact O-N 3.36Å; M401-E403 VanDerWaalsContact C-N 3.28Å; M401-E403 PolarHBondContact O-N 3.38Å; M401-F404 PolarHBondContact O-N 3.15Å; M401-H405 PolarHBondContact O-CD2 3.08Å; M401-W445 HydrophobicContact CE-CH2 3.81Å; M401-W445 HydrophobicContact CE-CZ3 4.29Å; M401-W445 HydrophobicContact SD-CZ3 4.45Å; M401-F447 HydrophobicContact CE-CD1 3.63Å; M401-F447 HydrophobicContact CE-CE1 3.73Å; M401-F447 HydrophobicContact CE-CG 4.27Å; M401-F447 HydrophobicContact CE-CZ 4.42Å; M401-F447 HydrophobicContact SD-CD1 3.81Å; M401-F447 HydrophobicContact SD-CE1 4.12Å
402E86Confident71.9Confident38 Ų3844.4 Ų44.418%0.17822%0.216CC..Hα-helixtrans-63.6-31.6178.6-156.467.9-159.200112.9R124 V127 L399 R400 F404 H405 Y406R124-E402 IonicContact CZ-OE2 3.5Å; R124-E402 VanDerWaalsContact NH1-CD 3.33Å; R124-E402 IonicContact NH1-OE1 3.53Å; R124-E402 PolarHBondContact NH1-OE1 3.21Å; R124-E402 IonicContact NH1-OE2 2.73Å; R124-E402 PolarHBondContact NH1-OE2 2.98Å; R124-E402 IonicContact NH2-OE2 3.52Å; V127-E402 WeakPolarHBondContact CG2-OE1 3.38Å; L399-E402 WeakPolarHBondContact O-CB 3.25Å; R400-E402 PolarHBondContact O-N 3Å; E402-F404 VanDerWaalsContact C-N 3.28Å; E402-F404 PolarHBondContact O-N 3.31Å; E402-H405 WeakPolarHBondContact O-CA 3.12Å; E402-H405 WeakPolarHBondContact O-CB 3.31Å; E402-H405 PolarHBondContact O-N 2.85Å; E402-Y406 HydrophobicContact CB-CE2 4.48Å; E402-Y406 HydrophobicContact CG-CD1 4.48Å; E402-Y406 HydrophobicContact CG-CE1 3.57Å; E402-Y406 HydrophobicContact CG-CE2 4.13Å; E402-Y406 WeakPolarHBondContact CG-OH 3.49Å; E402-Y406 PolarHBondContact O-N 3.42Å
403E87.4Confident74.7Confident34 Ų3440.5 Ų40.516%0.15920%0.196CC..Hα-helixtrans-65.5-32.2-177.3-56.5-177.415600112.2L62 F67 Y133 R400 M401 Y406 A407L62-E403 HydrophobicContact CD1-CB 3.36Å; L62-E403 HydrophobicContact CD1-CG 4.22Å; L62-E403 WeakPolarHBondContact CD1-OE2 3.28Å; L62-E403 HydrophobicContact CD2-CB 4.41Å; F67-E403 HydrophobicContact CE1-CB 4.26Å; Y133-E403 HydrophobicContact CE2-CG 4.14Å; Y133-E403 VanDerWaalsContact OH-CG 3.26Å; Y133-E403 WeakPolarHBondContact OH-CG 3.16Å; Y133-E403 PolarHBondContact OH-OE1 3.14Å; Y133-E403 VanDerWaalsContact OH-OE1 3.08Å; R400-E403 PolarHBondContact O-N 3.46Å; M401-E403 VanDerWaalsContact C-N 3.28Å; M401-E403 PolarHBondContact O-N 3.38Å; E403-Y406 WeakPolarHBondContact O-CB 3.34Å; E403-Y406 PolarHBondContact O-N 3.31Å; E403-A407 PolarHBondContact O-N 3.27Å
404F91.4Very high77.2Confident3 Ų337.5 Ų37.51%0.01318%0.179CC..Hα-helixtrans-75-26.4173.9-74.9-94.7000112.8E53 S59 G60 L62 M401 E402 A407 G408 R409 A410E53-F404 HydrophobicContact CB-CE2 4.15Å; E53-F404 HydrophobicContact CG-CD2 3.85Å; E53-F404 HydrophobicContact CG-CE1 4.44Å; E53-F404 HydrophobicContact CG-CE2 3.6Å; E53-F404 HydrophobicContact CG-CG 4.39Å; E53-F404 HydrophobicContact CG-CZ 3.91Å; E53-F404 VanDerWaalsContact OE1-CD2 3.3Å; E53-F404 WeakPolarHBondContact OE1-CD2 3.31Å; E53-F404 VanDerWaalsContact OE1-CG 3.29Å; E53-F404 WeakPolarHBondContact OE1-CG 3.14Å; S59-F404 VanDerWaalsContact CB-CE1 3.5Å; G60-F404 WeakPolarHBondContact O-CZ 3.43Å; L62-F404 HydrophobicContact CD1-CD2 4.37Å; L62-F404 HydrophobicContact CD1-CE2 4.11Å; L62-F404 HydrophobicContact CD2-CD1 4.17Å; L62-F404 HydrophobicContact CD2-CD2 4.3Å; L62-F404 HydrophobicContact CD2-CE1 4.25Å; L62-F404 HydrophobicContact CD2-CE2 4.36Å; L62-F404 HydrophobicContact CD2-CG 4.2Å; L62-F404 HydrophobicContact CD2-CZ 4.33Å; L62-F404 HydrophobicContact CG-CE1 4.49Å; L62-F404 HydrophobicContact CG-CE2 4.15Å; L62-F404 HydrophobicContact CG-CZ 4.14Å; M401-F404 PolarHBondContact O-N 3.15Å; E402-F404 VanDerWaalsContact C-N 3.28Å; E402-F404 PolarHBondContact O-N 3.31Å; F404-A407 WeakPolarHBondContact O-CB 3.36Å; F404-A407 PolarHBondContact O-N 3.42Å; F404-G408 PolarHBondContact O-N 3Å; F404-R409 HydrophobicContact CD1-CB 4.18Å; F404-R409 PolarHBondContact O-N 3.34Å; F404-A410 HydrophobicContact CB-CB 3.57Å; F404-A410 PolarHBondContact O-N 3.36Å
405H93Very high79.4Confident0 Ų035.1 Ų35.10%017%0.166CC..Hα-helixtrans-68.9-40.6169.4-72.3-72.1000111S125 W126 V127 M401 E402 A407 G408 A410 D412 H455S125-H405 WeakPolarHBondContact O-CA 3.48Å; S125-H405 VanDerWaalsContact O-CB 3.28Å; S125-H405 WeakPolarHBondContact O-CB 3.41Å; S125-H405 PolarHBondContact O-ND1 2.94Å; W126-H405 VanDerWaalsContact CA-O 3.3Å; W126-H405 WeakPolarHBondContact CA-O 3.39Å; V127-H405 HydrophobicContact CG2-CB 3.63Å; V127-H405 PolarHBondContact N-O 3.34Å; M401-H405 PolarHBondContact O-CD2 3.08Å; E402-H405 WeakPolarHBondContact O-CA 3.12Å; E402-H405 WeakPolarHBondContact O-CB 3.31Å; E402-H405 PolarHBondContact O-N 2.85Å; H405-A407 PolarHBondContact O-N 2.76Å; H405-G408 PolarHBondContact O-N 3.36Å; H405-A410 PolarHBondContact ND1-O 2.96Å; H405-D412 IonicContact CE1-OD1 3.91Å; H405-D412 IonicContact CE1-OD2 3.98Å; H405-D412 IonicContact NE2-OD1 3.62Å; H405-D412 PolarHBondContact NE2-OD1 2.93Å; H405-D412 IonicContact NE2-OD2 3.69Å; H405-D412 PolarHBondContact NE2-OD2 2.8Å; H405-H455 AromaticContact CD2-CE1 3.91Å; H405-H455 AromaticContact NE2-CE1 3.3Å; H405-H455 PolarHBondContact NE2-CE1 3.35Å; H405-H455 VanDerWaalsContact NE2-CE1 3.3Å; H405-H455 AromaticContact NE2-ND1 3.36Å; H405-H455 PolarHBondContact NE2-ND1 3.16Å
406Y89.9Confident81.8Confident17 Ų1730.1 Ų30.17%0.06714%0.143CC..Hα-helixtrans-57.6-35.1172.2-59.9-22.4000112.8F67 W126 V127 P129 P130 Y133 E402 E403 G408F67-Y406 HydrophobicContact CD1-CD2 4.46Å; F67-Y406 HydrophobicContact CE1-CD2 4.45Å; W126-Y406 VanDerWaalsContact CD1-O 3.29Å; W126-Y406 PolarHBondContact NE1-O 3.4Å; V127-Y406 HydrophobicContact CG2-CD1 3.53Å; V127-Y406 HydrophobicContact CG2-CE1 3.63Å; V127-Y406 WeakPolarHBondContact O-CD1 3.32Å; P129-Y406 HydrophobicContact CB-CD1 4.22Å; P129-Y406 HydrophobicContact CB-CD2 4.28Å; P129-Y406 HydrophobicContact CB-CG 4.12Å; P129-Y406 HydrophobicContact CG-CD1 4.11Å; P129-Y406 HydrophobicContact CG-CD2 4.45Å; P129-Y406 HydrophobicContact CG-CG 3.9Å; P130-Y406 WeakPolarHBondContact CD-OH 3.48Å; P130-Y406 WeakPolarHBondContact CG-OH 3.2Å; Y133-Y406 HydrophobicContact CD2-CD2 4.38Å; Y133-Y406 AromaticContact CD2-CE2 3.84Å; Y133-Y406 HydrophobicContact CD2-CE2 3.84Å; Y133-Y406 HydrophobicContact CE1-CD2 4.32Å; Y133-Y406 HydrophobicContact CE2-CD2 4.16Å; Y133-Y406 AromaticContact CE2-CE2 3.82Å; Y133-Y406 HydrophobicContact CE2-CE2 3.82Å; Y133-Y406 HydrophobicContact CG-CE2 4.28Å; E402-Y406 HydrophobicContact CB-CE2 4.48Å; E402-Y406 HydrophobicContact CG-CD1 4.48Å; E402-Y406 HydrophobicContact CG-CE1 3.57Å; E402-Y406 HydrophobicContact CG-CE2 4.13Å; E402-Y406 WeakPolarHBondContact CG-OH 3.49Å; E402-Y406 PolarHBondContact O-N 3.42Å; E403-Y406 WeakPolarHBondContact O-CB 3.34Å; E403-Y406 PolarHBondContact O-N 3.31Å; Y406-G408 VanDerWaalsContact C-N 3.29Å
407A88.5Confident83.9Confident2 Ų228.1 Ų28.12%0.01713%0.134CC..THydrogen-bonded Turntrans-74.2-15.1174.700000114.5L62 D66 E403 F404 H405 R409L62-A407 HydrophobicContact CD2-CB 4.23Å; D66-A407 HydrophobicContact CB-CB 3.67Å; D66-A407 WeakPolarHBondContact O-CA 3.41Å; E403-A407 PolarHBondContact O-N 3.27Å; F404-A407 WeakPolarHBondContact O-CB 3.36Å; F404-A407 PolarHBondContact O-N 3.42Å; H405-A407 PolarHBondContact O-N 2.76Å; A407-R409 HydrophobicContact CB-CB 4.15Å; A407-R409 HydrophobicContact CB-CG 3.97Å; A407-R409 PolarHBondContact O-N 3.37Å
408G91.9Very high85.3Confident0 Ų034.2 Ų34.20%015%0.153CC..THydrogen-bonded Turntrans63.722.2-167.400000113.1M94 T95 F404 H405 Y406M94-G408 CarbonylContact C-O 3.58Å; M94-G408 WeakPolarHBondContact CA-O 3.46Å; M94-G408 WeakPolarHBondContact CB-O 3.46Å; T95-G408 PolarHBondContact N-O 2.84Å; T95-G408 PolarHBondContact OG1-O 3.16Å; F404-G408 PolarHBondContact O-N 3Å; H405-G408 PolarHBondContact O-N 3.36Å; Y406-G408 VanDerWaalsContact C-N 3.29Å
409R92.1Very high86.6Confident0 Ų036.8 Ų36.80%016%0.162CC..  trans-100.70.6178.7-67.1-161.8-67.2133.4-15.4113.2S59 P61 D66 T95 F404 A407 S457 V458S59-R409 PolarHBondContact O-NH1 2.81Å; P61-R409 PolarHBondContact O-NH2 3.39Å; D66-R409 IonicContact OD2-CZ 3.08Å; D66-R409 IonicContact OD2-NE 3.2Å; D66-R409 PolarHBondContact OD2-NE 3.4Å; D66-R409 VanDerWaalsContact OD2-NE 3.13Å; D66-R409 IonicContact OD2-NH2 2.8Å; D66-R409 PolarHBondContact OD2-NH2 3.49Å; T95-R409 HydrophobicContact CG2-CG 3.56Å; F404-R409 HydrophobicContact CD1-CB 4.18Å; F404-R409 PolarHBondContact O-N 3.34Å; A407-R409 HydrophobicContact CB-CB 4.15Å; A407-R409 HydrophobicContact CB-CG 3.97Å; A407-R409 PolarHBondContact O-N 3.37Å; R409-S457 CarbonylContact O-C 3.5Å; R409-S457 WeakPolarHBondContact O-CA 3.32Å; R409-S457 WeakPolarHBondContact O-CB 3.35Å; R409-V458 HydrophobicContact CB-CG2 4.09Å; R409-V458 HydrophobicContact CG-CG2 4.41Å; R409-V458 PolarHBondContact NH1-O 3.22Å; R409-V458 PolarHBondContact O-N 2.91Å
410A95Very high87.9Confident0 Ų039.8 Ų39.80%017%0.167CC..EExtended strand (participates in β ladder)trans-124.8154.4175.700000112.1S125 F404 H405 C456S125-A410 WeakPolarHBondContact CA-O 3.42Å; F404-A410 HydrophobicContact CB-CB 3.57Å; F404-A410 PolarHBondContact O-N 3.36Å; H405-A410 PolarHBondContact ND1-O 2.96Å; A410-C456 CarbonylContact C-O 3.58Å; A410-C456 VanDerWaalsContact CA-O 3.23Å; A410-C456 WeakPolarHBondContact CA-O 3.13Å
411V97Very high88.9Confident0 Ų036.1 Ų36.10%016%0.163CC..EExtended strand (participates in β ladder)trans-140.7131.4176.7-87.60000110.4M94 V122 R124 M413 F443 C456M94-V411 HydrophobicContact CE-CG1 3.8Å; M94-V411 HydrophobicContact SD-CG1 4.24Å; V122-V411 HydrophobicContact CG1-CG1 4.29Å; R124-V411 CarbonylContact O-C 3.57Å; R124-V411 WeakPolarHBondContact O-CA 3.38Å; V411-M413 HydrophobicContact CB-CG 4.19Å; V411-M413 HydrophobicContact CB-SD 4.46Å; V411-M413 HydrophobicContact CG2-SD 4.19Å; V411-F443 HydrophobicContact CG2-CE1 3.63Å; V411-F443 HydrophobicContact CG2-CZ 3.89Å; V411-C456 HydrophobicContact CG2-CB 4.24Å; V411-C456 PolarHBondContact N-O 3.08Å; V411-C456 PolarHBondContact O-N 3.44Å
412D96.7Very high89.4Confident2 Ų241.7 Ų41.71%0.01118%0.182CC..EExtended strand (participates in β ladder)trans-101.5126.4170.2-73.7-17.8000109.1I123 R124 H405 H453 H455I123-D412 HydrophobicContact CB-CB 4.36Å; I123-D412 PolarHBondContact N-O 2.8Å; R124-D412 HydrophobicContact CB-CB 4.11Å; R124-D412 IonicContact CZ-OD2 3.98Å; R124-D412 PolarHBondContact N-O 3.3Å; R124-D412 IonicContact NE-OD2 3.81Å; R124-D412 PolarHBondContact NE-OD2 3.38Å; R124-D412 IonicContact NH2-OD2 2.82Å; R124-D412 PolarHBondContact NH2-OD2 2.9Å; R124-D412 PolarHBondContact O-N 3.46Å; H405-D412 IonicContact CE1-OD1 3.91Å; H405-D412 IonicContact CE1-OD2 3.98Å; H405-D412 IonicContact NE2-OD1 3.62Å; H405-D412 PolarHBondContact NE2-OD1 2.93Å; H405-D412 IonicContact NE2-OD2 3.69Å; H405-D412 PolarHBondContact NE2-OD2 2.8Å; D412-H453 IonicContact OD1-CD2 2.69Å; D412-H455 WeakPolarHBondContact OD1-CB 3.4Å; D412-H455 IonicContact OD1-CE1 2.93Å; D412-H455 IonicContact OD1-CG 3.4Å; D412-H455 IonicContact OD1-ND1 3.5Å; D412-H455 PolarHBondContact OD1-ND1 3.25Å
413M96Very high89.2Confident0 Ų040.4 Ų40.40%018%0.177CC..EExtended strand (participates in β ladder)trans-134.8147-168.1-51.2179.4-70.200111.7L102 L105 L120 R121 V122 V411 L433 H453 V454 C456L102-M413 HydrophobicContact CD1-SD 3.55Å; L102-M413 VanDerWaalsContact CD1-SD 3.55Å; L105-M413 HydrophobicContact CD2-CE 3.43Å; L105-M413 VanDerWaalsContact CD2-CE 3.43Å; L105-M413 HydrophobicContact CD2-SD 3.59Å; L105-M413 VanDerWaalsContact CD2-SD 3.59Å; L120-M413 HydrophobicContact CD1-CB 3.98Å; L120-M413 HydrophobicContact CD1-SD 4.34Å; L120-M413 HydrophobicContact CD2-SD 4.47Å; R121-M413 CarbonylContact O-C 3.55Å; R121-M413 VanDerWaalsContact O-CA 3.31Å; R121-M413 WeakPolarHBondContact O-CA 3.33Å; V122-M413 HydrophobicContact CG2-CG 4.38Å; V411-M413 HydrophobicContact CB-CG 4.19Å; V411-M413 HydrophobicContact CB-SD 4.46Å; V411-M413 HydrophobicContact CG2-SD 4.19Å; M413-L433 HydrophobicContact CB-CD2 4.43Å; M413-H453 CarbonylContact O-C 3.16Å; M413-H453 WeakPolarHBondContact O-CA 3.24Å; M413-H453 WeakPolarHBondContact O-CB 3.16Å; M413-V454 PolarHBondContact N-O 2.9Å; M413-V454 PolarHBondContact O-N 3.36Å; M413-C456 HydrophobicContact CE-CB 3.95Å; M413-C456 WeakPolarHBondContact CE-SG 3.38Å
414E93.9Very high88.4Confident19 Ų1947 Ų479%0.08921%0.207CC..EExtended strand (participates in β ladder)trans-138.6168.1169.267.5174.4-165.800111.4R121 I123 I416 L430R121-E414 HydrophobicContact CB-CG 4.05Å; R121-E414 WeakPolarHBondContact CD-OE1 3.49Å; R121-E414 HydrophobicContact CG-CG 4.41Å; R121-E414 IonicContact CZ-OE1 2.8Å; R121-E414 PolarHBondContact N-O 3.3Å; R121-E414 IonicContact NE-OE1 3.38Å; R121-E414 IonicContact NH1-OE1 2.99Å; R121-E414 PolarHBondContact NH1-OE1 3.01Å; R121-E414 PolarHBondContact O-N 3.39Å; I123-E414 HydrophobicContact CD1-CB 4.14Å; I123-E414 HydrophobicContact CD1-CG 3.84Å; I123-E414 HydrophobicContact CG1-CG 4.04Å; E414-I416 HydrophobicContact CG-CG2 4.24Å; E414-L430 HydrophobicContact CB-CD2 4.49Å
415L92.9Very high87.8Confident5 Ų552.7 Ų52.73%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-102.8129174.5-65174.9000109.2I109 W113 V118 L120 P423 H429 L433I109-L415 HydrophobicContact CD1-CD2 4.34Å; I109-L415 HydrophobicContact CG2-CD2 4.12Å; W113-L415 HydrophobicContact CH2-CD1 4.21Å; W113-L415 HydrophobicContact CZ2-CD1 4.22Å; V118-L415 HydrophobicContact CG1-CB 3.8Å; V118-L415 HydrophobicContact CG1-CD1 4.23Å; V118-L415 HydrophobicContact CG1-CD2 3.88Å; V118-L415 HydrophobicContact CG1-CG 4.17Å; L120-L415 HydrophobicContact CD1-CD2 4.33Å; L415-P423 HydrophobicContact CB-CG 4.21Å; L415-P423 WeakPolarHBondContact O-CD 3.34Å; L415-H429 HydrophobicContact CD1-CB 3.87Å; L415-L433 HydrophobicContact CD1-CB 4.25Å; L415-L433 HydrophobicContact CD2-CD1 4.33Å; L415-L433 HydrophobicContact CD2-CD2 4.39Å; L415-L433 HydrophobicContact CG-CD2 4.1Å
416I90.7Very high87.2Confident5 Ų554 Ų543%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-120.9157.7175.960.8167.2000110.7I85 V118 I119 R121 E414 Y420I85-I416 HydrophobicContact CB-CD1 4.4Å; I85-I416 HydrophobicContact CD1-CD1 3.51Å; I85-I416 HydrophobicContact CD1-CG1 4.44Å; I85-I416 HydrophobicContact CG2-CD1 4.43Å; V118-I416 CarbonylContact C-O 3.56Å; V118-I416 WeakPolarHBondContact CA-O 2.9Å; I119-I416 HydrophobicContact CB-CG1 4.24Å; I119-I416 PolarHBondContact N-O 3.19Å; I119-I416 PolarHBondContact O-N 3.08Å; R121-I416 HydrophobicContact CB-CD1 4.03Å; R121-I416 HydrophobicContact CB-CG1 4.01Å; R121-I416 HydrophobicContact CB-CG2 4.05Å; R121-I416 HydrophobicContact CG-CD1 4.4Å; E414-I416 HydrophobicContact CG-CG2 4.24Å; I416-Y420 HydrophobicContact CD1-CD1 3.94Å; I416-Y420 HydrophobicContact CD1-CE1 4.37Å
417T87.6Confident86.7Confident31 Ų3158 Ų5819%0.1927%0.27CS..EExtended strand (participates in β ladder)trans-89.9166.7171.459.40000111.1D117 K419 Y420 G421 P423D117-T417 WeakPolarHBondContact O-CA 3.34Å; T417-K419 PolarHBondContact O-N 3.41Å; T417-K419 VanDerWaalsContact O-N 3.14Å; T417-Y420 WeakPolarHBondContact O-CA 3.33Å; T417-Y420 PolarHBondContact O-N 2.93Å; T417-G421 PolarHBondContact N-O 3.34Å; T417-G421 PolarHBondContact OG1-N 2.65Å; T417-G421 PolarHBondContact OG1-O 3.15Å; T417-P423 HydrophobicContact CG2-CB 4Å
418R80.6Confident86.3Confident174 Ų17462 Ų6266%0.65729%0.29SS*.THydrogen-bonded Turntrans-61.6-21174-166.2-174.7-58.8-138-5.7113.5D117 Y420D117-R418 VanDerWaalsContact CG-CB 3.43Å; D117-R418 WeakPolarHBondContact OD1-CB 3.45Å; D117-R418 IonicContact OD1-CZ 3.39Å; D117-R418 IonicContact OD1-NE 3.81Å; D117-R418 PolarHBondContact OD1-NE 3.27Å; D117-R418 IonicContact OD1-NH2 3.94Å; D117-R418 PolarHBondContact OD1-NH2 2.89Å; D117-R418 VanDerWaalsContact OD1-NH2 3.08Å; D117-R418 WeakPolarHBondContact OD2-CB 3.38Å; D117-R418 IonicContact OD2-NE 2.81Å; R418-Y420 WeakPolarHBondContact O-CD2 3.31Å; R418-Y420 PolarHBondContact O-N 2.99Å
419K81.4Confident86.1Confident191 Ų19163.2 Ų63.283%0.8330%0.296SS*.THydrogen-bonded Turntrans-78.69.3170-64.4-172.8179.3-1780112.9T417 G421T417-K419 PolarHBondContact O-N 3.41Å; T417-K419 VanDerWaalsContact O-N 3.14Å; K419-G421 PolarHBondContact O-N 2.96Å; K419-G421 VanDerWaalsContact O-N 3.1Å
420Y79.2Confident86.1Confident174 Ų17463.6 Ų63.668%0.68230%0.298SS*.SBendtrans55.223.9-174.9-61.9-87.9000113.7I85 I416 T417 R418I85-Y420 HydrophobicContact CD1-CE1 3.98Å; I416-Y420 HydrophobicContact CD1-CD1 3.94Å; I416-Y420 HydrophobicContact CD1-CE1 4.37Å; T417-Y420 WeakPolarHBondContact O-CA 3.33Å; T417-Y420 PolarHBondContact O-N 2.93Å; R418-Y420 WeakPolarHBondContact O-CD2 3.31Å; R418-Y420 PolarHBondContact O-N 2.99Å
421G83.6Confident86.1Confident30 Ų3063.6 Ų63.631%0.30930%0.298SS..SBendtrans-103.1162.4176.400000112.3T417 K419T417-G421 PolarHBondContact N-O 3.34Å; T417-G421 PolarHBondContact OG1-N 2.65Å; T417-G421 PolarHBondContact OG1-O 3.15Å; K419-G421 PolarHBondContact O-N 2.96Å; K419-G421 VanDerWaalsContact O-N 3.1Å
422R82.4Confident86Confident151 Ų15164.7 Ų64.757%0.5731%0.305SS*.PPolyproline II helixtrans-66134.3172.5-75-170176.8-167.6-1.7110.8
423P81.1Confident85.9Confident11 Ų1164.6 Ų64.67%0.07130%0.304CS..PPolyproline II helixtrans-65.5153.3176.526.7-33.4000111.3L415 T417 S426L415-P423 HydrophobicContact CB-CG 4.21Å; L415-P423 WeakPolarHBondContact O-CD 3.34Å; T417-P423 HydrophobicContact CG2-CB 4Å; P423-S426 PolarHBondContact O-N 2.95Å
424H72.3Confident85.9Confident172 Ų17264.6 Ų64.680%0.79630%0.304SS*.THydrogen-bonded Turntrans-59146.1168.9-67.1-63.9000110.5S426 H429H424-S426 VanDerWaalsContact C-N 3.29Å; H424-S426 PolarHBondContact O-N 3.39Å; H424-H429 PolarHBondContact O-CE1 3.18Å; H424-H429 PolarHBondContact O-ND1 3.04Å; H424-H429 VanDerWaalsContact O-ND1 3.11Å
425N78.5Confident86Confident122 Ų12264.7 Ų64.765%0.65231%0.305SS*.THydrogen-bonded Turntrans53.742.5-173.7-59-31.1000113.4D427 L428 H429N425-D427 PolarHBondContact O-N 2.86Å; N425-D427 VanDerWaalsContact O-N 3.13Å; N425-L428 HydrophobicContact CB-CB 4.38Å; N425-L428 PolarHBondContact O-N 3.07Å; N425-L428 VanDerWaalsContact O-N 3.09Å; N425-H429 PolarHBondContact O-N 2.79Å
426S79.1Confident86.1Confident29 Ų2965.1 Ų65.120%0.20331%0.307CS..Hα-helixtrans-50.4-38.1-178.650.40000113.5P423 H424 L428 H429 L430P423-S426 PolarHBondContact O-N 2.95Å; H424-S426 VanDerWaalsContact C-N 3.29Å; H424-S426 PolarHBondContact O-N 3.39Å; S426-L428 PolarHBondContact O-N 3.1Å; S426-H429 PolarHBondContact O-N 2.84Å; S426-L430 WeakPolarHBondContact O-CB 3.47Å; S426-L430 WeakPolarHBondContact O-CG 3.43Å; S426-L430 PolarHBondContact O-N 3.4Å
427D79.1Confident86.3Confident100 Ų10064.9 Ų64.954%0.53531%0.305SS..Hα-helixtrans-66.3-41.5-177.8-60.3-24.5000111.8N425 L430 G431N425-D427 PolarHBondContact O-N 2.86Å; N425-D427 VanDerWaalsContact O-N 3.13Å; D427-L430 PolarHBondContact O-N 2.67Å; D427-G431 PolarHBondContact O-N 3.26Å
428L82Confident86.7Confident86 Ų8664.1 Ų64.145%0.4530%0.299SS..Hα-helixtrans-66-44.3175.3-179.764.1000110.3V41 N425 S426 L430 G431 V432V41-L428 HydrophobicContact CG1-CD1 4.35Å; N425-L428 HydrophobicContact CB-CB 4.38Å; N425-L428 PolarHBondContact O-N 3.07Å; N425-L428 VanDerWaalsContact O-N 3.09Å; S426-L428 PolarHBondContact O-N 3.1Å; L428-L430 VanDerWaalsContact C-N 3.32Å; L428-L430 PolarHBondContact O-N 2.7Å; L428-G431 PolarHBondContact O-N 3Å; L428-V432 VanDerWaalsContact O-CG2 3.27Å; L428-V432 WeakPolarHBondContact O-CG2 3.47Å; L428-V432 PolarHBondContact O-N 3.3Å
429H87.3Confident87.3Confident25 Ų2556.9 Ų56.912%0.11627%0.272CS..Hα-helixtrans-63.8-36.8178.7-68.1162.4000112.6W113 L415 H424 N425 S426 V432 L433W113-H429 AromaticContact NE1-CD2 3.78Å; W113-H429 AromaticContact NE1-NE2 3.94Å; L415-H429 HydrophobicContact CD1-CB 3.87Å; H424-H429 PolarHBondContact O-CE1 3.18Å; H424-H429 PolarHBondContact O-ND1 3.04Å; H424-H429 VanDerWaalsContact O-ND1 3.11Å; N425-H429 PolarHBondContact O-N 2.79Å; S426-H429 PolarHBondContact O-N 2.84Å; H429-V432 PolarHBondContact O-N 3.08Å; H429-L433 WeakPolarHBondContact O-CB 3.35Å; H429-L433 PolarHBondContact O-N 2.9Å
430L92.5Very high87.8Confident8 Ų849.7 Ų49.74%0.04224%0.244CC..Hα-helixtrans-71.7-38.7176.1-70.4170.7000112.1E414 S426 D427 L428 V432 L433 A434 F448 G452 V454E414-L430 HydrophobicContact CB-CD2 4.49Å; S426-L430 WeakPolarHBondContact O-CB 3.47Å; S426-L430 WeakPolarHBondContact O-CG 3.43Å; S426-L430 PolarHBondContact O-N 3.4Å; D427-L430 PolarHBondContact O-N 2.67Å; L428-L430 VanDerWaalsContact C-N 3.32Å; L428-L430 PolarHBondContact O-N 2.7Å; L430-V432 VanDerWaalsContact C-N 3.3Å; L430-V432 PolarHBondContact O-N 2.8Å; L430-L433 HydrophobicContact CD2-CD2 4.2Å; L430-L433 WeakPolarHBondContact O-CB 3.38Å; L430-L433 PolarHBondContact O-N 3.05Å; L430-A434 PolarHBondContact O-N 2.68Å; L430-F448 HydrophobicContact CB-CD2 4.19Å; L430-F448 HydrophobicContact CB-CE1 4.27Å; L430-F448 HydrophobicContact CB-CE2 3.59Å; L430-F448 HydrophobicContact CB-CZ 3.63Å; L430-F448 HydrophobicContact CD1-CE2 3.82Å; L430-F448 HydrophobicContact CD1-CZ 4.21Å; L430-F448 HydrophobicContact CG-CE2 4.35Å; L430-G452 WeakPolarHBondContact CD1-O 3.28Å; L430-V454 HydrophobicContact CB-CG2 4.31Å; L430-V454 HydrophobicContact CD2-CG2 4.22Å; L430-V454 WeakPolarHBondContact O-CG2 3.15Å
431G94.4Very high88.5Confident0 Ų041.4 Ų41.40%021%0.212CC..Hα-helixtrans-61.1-39.8172.300000112.5F42 D427 L428 Q435F42-G431 PolarHBondContact N-O 3.26Å; F42-G431 VanDerWaalsContact O-CA 3.28Å; F42-G431 WeakPolarHBondContact O-CA 3.48Å; D427-G431 PolarHBondContact O-N 3.26Å; L428-G431 PolarHBondContact O-N 3Å; G431-Q435 PolarHBondContact O-N 3.3Å
432V93.8Very high88.8Confident23 Ų2343.5 Ų43.514%0.13921%0.213CC..Hα-helixtrans-70.6-38174.8176.80000110.8V41 W113 L428 H429 L430 A434 Q435 I436V41-V432 HydrophobicContact CG1-CG2 4.03Å; V41-V432 HydrophobicContact CG2-CG2 4.04Å; W113-V432 HydrophobicContact CH2-CB 4.18Å; W113-V432 HydrophobicContact CH2-CG1 3.63Å; W113-V432 HydrophobicContact CZ2-CB 4.05Å; W113-V432 HydrophobicContact CZ2-CG1 3.69Å; L428-V432 VanDerWaalsContact O-CG2 3.27Å; L428-V432 WeakPolarHBondContact O-CG2 3.47Å; L428-V432 PolarHBondContact O-N 3.3Å; H429-V432 PolarHBondContact O-N 3.08Å; L430-V432 VanDerWaalsContact C-N 3.3Å; L430-V432 PolarHBondContact O-N 2.8Å; V432-A434 PolarHBondContact O-N 2.72Å; V432-Q435 WeakPolarHBondContact O-CB 3.39Å; V432-Q435 PolarHBondContact O-N 3.06Å; V432-I436 HydrophobicContact CG1-CD1 3.9Å; V432-I436 HydrophobicContact CG1-CG1 4.33Å; V432-I436 WeakPolarHBondContact O-CG1 3.29Å; V432-I436 PolarHBondContact O-N 3.33Å
433L95.6Very high89.4Confident0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-56.9-48.8173.2174.464.5000111.1L105 I109 L120 M413 L415 H429 L430 Q435 I436 A437 V454L105-L433 HydrophobicContact CD1-CD1 4.09Å; L105-L433 HydrophobicContact CD2-CD1 4.19Å; L105-L433 HydrophobicContact CG-CD1 4.42Å; I109-L433 HydrophobicContact CD1-CD1 3.45Å; I109-L433 VanDerWaalsContact CD1-CD1 3.45Å; I109-L433 HydrophobicContact CG1-CD1 4.05Å; L120-L433 HydrophobicContact CD1-CD1 4.26Å; L120-L433 HydrophobicContact CD1-CD2 4.49Å; M413-L433 HydrophobicContact CB-CD2 4.43Å; L415-L433 HydrophobicContact CD1-CB 4.25Å; L415-L433 HydrophobicContact CD2-CD1 4.33Å; L415-L433 HydrophobicContact CD2-CD2 4.39Å; L415-L433 HydrophobicContact CG-CD2 4.1Å; H429-L433 WeakPolarHBondContact O-CB 3.35Å; H429-L433 PolarHBondContact O-N 2.9Å; L430-L433 HydrophobicContact CD2-CD2 4.2Å; L430-L433 WeakPolarHBondContact O-CB 3.38Å; L430-L433 PolarHBondContact O-N 3.05Å; L433-Q435 VanDerWaalsContact C-N 3.34Å; L433-Q435 PolarHBondContact O-N 3.05Å; L433-I436 PolarHBondContact O-N 3.2Å; L433-A437 VanDerWaalsContact O-CB 3.32Å; L433-A437 WeakPolarHBondContact O-CB 3.44Å; L433-A437 PolarHBondContact O-N 3.16Å; L433-V454 HydrophobicContact CB-CG2 4.28Å; L433-V454 HydrophobicContact CD2-CB 4.01Å; L433-V454 HydrophobicContact CD2-CG2 3.83Å; L433-V454 HydrophobicContact CG-CB 4.37Å; L433-V454 HydrophobicContact CG-CG2 4.09Å
434A96.1Very high90Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-63.4-38.5177.400000112.3F42 L430 V432 A437 Y438 V454F42-A434 HydrophobicContact CB-CB 3.87Å; F42-A434 HydrophobicContact CD1-CB 3.8Å; F42-A434 HydrophobicContact CD2-CB 3.97Å; F42-A434 HydrophobicContact CE1-CB 4.26Å; F42-A434 HydrophobicContact CE2-CB 4.42Å; F42-A434 HydrophobicContact CG-CB 3.62Å; L430-A434 PolarHBondContact O-N 2.68Å; V432-A434 PolarHBondContact O-N 2.72Å; A434-A437 PolarHBondContact O-N 2.6Å; A434-Y438 WeakPolarHBondContact O-CB 3.5Å; A434-Y438 PolarHBondContact O-N 3.25Å; A434-V454 HydrophobicContact CB-CG1 3.8Å; A434-V454 HydrophobicContact CB-CG2 4.03Å
435Q95.2Very high91.1Very high22 Ų2228.2 Ų28.210%0.10315%0.147CC..Hα-helixtrans-59.6-50173.1-178.8-173.738.400111.4S39 H40 F42 G431 V432 L433 Y438 Y439S39-Q435 PolarHBondContact OG-NE2 2.76Å; H40-Q435 VanDerWaalsContact C-NE2 3.32Å; H40-Q435 WeakPolarHBondContact O-CB 3.4Å; H40-Q435 VanDerWaalsContact O-CG 3.25Å; H40-Q435 WeakPolarHBondContact O-CG 3.28Å; F42-Q435 HydrophobicContact CD2-CB 4.43Å; G431-Q435 PolarHBondContact O-N 3.3Å; V432-Q435 WeakPolarHBondContact O-CB 3.39Å; V432-Q435 PolarHBondContact O-N 3.06Å; L433-Q435 VanDerWaalsContact C-N 3.34Å; L433-Q435 PolarHBondContact O-N 3.05Å; Q435-Y438 PolarHBondContact O-N 3.43Å; Q435-Y439 HydrophobicContact CB-CD2 4.44Å; Q435-Y439 HydrophobicContact CG-CD2 3.75Å; Q435-Y439 HydrophobicContact CG-CE2 4.31Å; Q435-Y439 WeakPolarHBondContact O-CB 3.19Å; Q435-Y439 VanDerWaalsContact O-CD2 3.27Å; Q435-Y439 WeakPolarHBondContact O-CD2 3.4Å; Q435-Y439 PolarHBondContact O-N 2.82Å
436I94.8Very high91.9Very high13 Ų1322.4 Ų22.47%0.06712%0.116CC..Iπ-helixtrans-64.4-43.7179.6-63.8168.3000110.1L105 Q108 T112 W113 V432 L433 Y438 V440 A441L105-I436 HydrophobicContact CD1-CB 4.12Å; L105-I436 HydrophobicContact CD1-CG2 3.61Å; Q108-I436 HydrophobicContact CB-CG2 3.68Å; Q108-I436 HydrophobicContact CG-CG2 4.43Å; T112-I436 HydrophobicContact CG2-CD1 4.16Å; W113-I436 HydrophobicContact CH2-CD1 3.69Å; W113-I436 HydrophobicContact CZ3-CD1 3.56Å; V432-I436 HydrophobicContact CG1-CD1 3.9Å; V432-I436 HydrophobicContact CG1-CG1 4.33Å; V432-I436 WeakPolarHBondContact O-CG1 3.29Å; V432-I436 PolarHBondContact O-N 3.33Å; L433-I436 PolarHBondContact O-N 3.2Å; I436-Y438 PolarHBondContact O-N 3.49Å; I436-V440 HydrophobicContact CG2-CB 4.12Å; I436-V440 HydrophobicContact CG2-CG2 4.42Å; I436-V440 CarbonylContact O-C 3.51Å; I436-V440 WeakPolarHBondContact O-CA 3.35Å; I436-V440 WeakPolarHBondContact O-CB 3.28Å; I436-V440 PolarHBondContact O-N 2.86Å; I436-A441 PolarHBondContact O-N 3.39Å
437A96.4Very high92.7Very high0 Ų022.2 Ų22.20%011%0.112CC..Iπ-helixtrans-56.1-50.217800000111.5L105 L433 A434 A441 H442 F443L105-A437 HydrophobicContact CD1-CB 4.17Å; L105-A437 HydrophobicContact CD2-CB 3.96Å; L433-A437 VanDerWaalsContact O-CB 3.32Å; L433-A437 WeakPolarHBondContact O-CB 3.44Å; L433-A437 PolarHBondContact O-N 3.16Å; A434-A437 PolarHBondContact O-N 2.6Å; A437-A441 CarbonylContact O-C 3.58Å; A437-A441 WeakPolarHBondContact O-CB 3.4Å; A437-H442 PolarHBondContact O-N 2.97Å; A437-H442 VanDerWaalsContact O-N 3.14Å; A437-F443 HydrophobicContact CB-CD2 3.85Å; A437-F443 HydrophobicContact CB-CE2 4.42Å; A437-F443 WeakPolarHBondContact O-CD2 3.27Å; A437-F443 PolarHBondContact O-N 2.82Å
438Y95.1Very high93.4Very high16 Ų1617.5 Ų17.56%0.0639%0.087CC..Iπ-helixtrans-73.8-54-178-174.1-106.7000112.4R36 F42 Q48 A434 Q435 I436 C446R36-Y438 HydrophobicContact CG-CE1 4.37Å; R36-Y438 PolarHBondContact NE-OH 3.29Å; R36-Y438 VanDerWaalsContact NE-OH 3.11Å; R36-Y438 PolarHBondContact NH1-O 2.99Å; F42-Y438 HydrophobicContact CZ-CD1 4.47Å; F42-Y438 HydrophobicContact CZ-CG 4.21Å; Q48-Y438 HydrophobicContact CB-CD1 4.42Å; Q48-Y438 HydrophobicContact CB-CD2 4.43Å; Q48-Y438 HydrophobicContact CB-CE1 4.28Å; Q48-Y438 HydrophobicContact CB-CE2 4.29Å; Q48-Y438 HydrophobicContact CB-CG 4.5Å; Q48-Y438 HydrophobicContact CG-CD1 3.79Å; Q48-Y438 HydrophobicContact CG-CD2 4.23Å; Q48-Y438 HydrophobicContact CG-CE1 3.24Å; Q48-Y438 HydrophobicContact CG-CE2 3.75Å; Q48-Y438 HydrophobicContact CG-CG 4.26Å; Q48-Y438 PolarHBondContact NE2-OH 2.78Å; A434-Y438 WeakPolarHBondContact O-CB 3.5Å; A434-Y438 PolarHBondContact O-N 3.25Å; Q435-Y438 PolarHBondContact O-N 3.43Å; I436-Y438 PolarHBondContact O-N 3.49Å; Y438-C446 HydrophobicContact CD2-CB 4.4Å
439Y94Very high93.8Very high21 Ų2114.9 Ų14.98%0.0827%0.073CC..Iπ-helixtrans-81.4-35.3-169.4-67.8-75.4000113.5R36 R38 H40 F42 Q435 H442R36-Y439 HydrophobicContact CB-CD1 3.58Å; R36-Y439 HydrophobicContact CB-CE1 3.94Å; R36-Y439 HydrophobicContact CG-CD1 4.43Å; R38-Y439 WeakPolarHBondContact O-CE1 3.38Å; R38-Y439 PolarHBondContact O-OH 3.22Å; H40-Y439 PolarHBondContact ND1-OH 3.07Å; F42-Y439 HydrophobicContact CE2-CE2 4.01Å; Q435-Y439 HydrophobicContact CB-CD2 4.44Å; Q435-Y439 HydrophobicContact CG-CD2 3.75Å; Q435-Y439 HydrophobicContact CG-CE2 4.31Å; Q435-Y439 WeakPolarHBondContact O-CB 3.19Å; Q435-Y439 VanDerWaalsContact O-CD2 3.27Å; Q435-Y439 WeakPolarHBondContact O-CD2 3.4Å; Q435-Y439 PolarHBondContact O-N 2.82Å; Y439-H442 PolarHBondContact O-CE1 3.29Å
440V91.3Very high93.9Very high40 Ų4021.2 Ų21.224%0.24210%0.096CC..Iπ-helixtrans-104.9-50-171.9-172.20000111.6K104 Q108 I436 H442K104-V440 WeakPolarHBondContact CE-O 3.09Å; K104-V440 PolarHBondContact NZ-O 2.81Å; Q108-V440 HydrophobicContact CG-CG1 3.7Å; I436-V440 HydrophobicContact CG2-CB 4.12Å; I436-V440 HydrophobicContact CG2-CG2 4.42Å; I436-V440 CarbonylContact O-C 3.51Å; I436-V440 WeakPolarHBondContact O-CA 3.35Å; I436-V440 WeakPolarHBondContact O-CB 3.28Å; I436-V440 PolarHBondContact O-N 2.86Å; V440-H442 PolarHBondContact O-CD2 3.46Å; V440-H442 PolarHBondContact O-N 3.16Å; V440-H442 PolarHBondContact O-NE2 2.98Å
441A92.8Very high93.6Very high1 Ų123.8 Ų23.81%0.00812%0.118CC..SBendtrans-76.9-11.2-179.600000113R101 L105 I436 A437 F443R101-A441 WeakPolarHBondContact CG-O 3.37Å; L105-A441 HydrophobicContact CB-CB 3.67Å; L105-A441 HydrophobicContact CD1-CB 4.26Å; L105-A441 HydrophobicContact CG-CB 4.5Å; I436-A441 PolarHBondContact O-N 3.39Å; A437-A441 CarbonylContact O-C 3.58Å; A437-A441 WeakPolarHBondContact O-CB 3.4Å; A441-F443 HydrophobicContact CB-CD2 4.06Å; A441-F443 HydrophobicContact CB-CE2 4.21Å; A441-F443 PolarHBondContact O-N 2.8Å
442H91.8Very high93.3Very high74 Ų7424 Ų2434%0.34312%0.121SC..  trans59.539.5178.1-50.7-56.9000114.2R101 K104 A437 Y439 V440R101-H442 WeakPolarHBondContact CD-O 3.08Å; R101-H442 PolarHBondContact NE-O 2.77Å; K104-H442 PolarHBondContact NZ-CD2 3.11Å; K104-H442 PolarHBondContact NZ-NE2 3.41Å; A437-H442 PolarHBondContact O-N 2.97Å; A437-H442 VanDerWaalsContact O-N 3.14Å; Y439-H442 PolarHBondContact O-CE1 3.29Å; V440-H442 PolarHBondContact O-CD2 3.46Å; V440-H442 PolarHBondContact O-N 3.16Å; V440-H442 PolarHBondContact O-NE2 2.98Å
443F95Very high93.3Very high0 Ų024.3 Ų24.30%012%0.121CC..  trans-57.2143.3157-77.1-85000109.7R36 R101 L102 L105 V411 A437 A441 C446 C456 V458R36-F443 PolarHBondContact NH1-O 3.43Å; R36-F443 PolarHBondContact NH2-O 3.16Å; R101-F443 HydrophobicContact CB-CD1 4.32Å; R101-F443 HydrophobicContact CB-CD2 4.11Å; R101-F443 HydrophobicContact CB-CE1 4.04Å; R101-F443 HydrophobicContact CB-CE2 3.8Å; R101-F443 HydrophobicContact CB-CG 4.37Å; R101-F443 HydrophobicContact CB-CZ 3.78Å; L102-F443 HydrophobicContact CB-CZ 4.38Å; L105-F443 HydrophobicContact CB-CE2 4.19Å; L105-F443 HydrophobicContact CD2-CE2 3.84Å; V411-F443 HydrophobicContact CG2-CE1 3.63Å; V411-F443 HydrophobicContact CG2-CZ 3.89Å; A437-F443 HydrophobicContact CB-CD2 3.85Å; A437-F443 HydrophobicContact CB-CE2 4.42Å; A437-F443 WeakPolarHBondContact O-CD2 3.27Å; A437-F443 PolarHBondContact O-N 2.82Å; A441-F443 HydrophobicContact CB-CD2 4.06Å; A441-F443 HydrophobicContact CB-CE2 4.21Å; A441-F443 PolarHBondContact O-N 2.8Å; F443-C446 WeakPolarHBondContact CB-SG 3.33Å; F443-C456 HydrophobicContact CB-CB 4.18Å; F443-C456 HydrophobicContact CD1-CB 3.44Å; F443-C456 VanDerWaalsContact CD1-CB 3.44Å; F443-C456 HydrophobicContact CD2-CB 4.23Å; F443-C456 HydrophobicContact CE1-CB 3.76Å; F443-C456 HydrophobicContact CG-CB 3.69Å; F443-C456 HydrophobicContact CZ-CB 4.28Å; F443-V458 HydrophobicContact CD1-CG1 3.6Å; F443-V458 HydrophobicContact CE1-CG1 3.91Å
444D92.5Very high93.4Very high3 Ų324.3 Ų24.32%0.01612%0.121CC..SBendtrans-82.2-32-174.6-68.1-69.6000110.5P49 R101 S457 V458 K459P49-D444 WeakPolarHBondContact CD-O 3.39Å; R101-D444 IonicContact CZ-OD2 3.8Å; R101-D444 IonicContact NE-OD2 3.38Å; R101-D444 IonicContact NH2-OD1 3.73Å; R101-D444 IonicContact NH2-OD2 3.64Å; R101-D444 PolarHBondContact NH2-OD2 3.47Å; D444-S457 PolarHBondContact N-O 3.45Å; D444-V458 WeakPolarHBondContact OD2-CA 3.3Å; D444-K459 HydrophobicContact CB-CG 4.08Å; D444-K459 PolarHBondContact OD2-N 3.31Å
445W95Very high93.4Very high9 Ų924.4 Ų24.43%0.03412%0.121CC..EExtended strand (participates in β ladder)trans-138.8137.7172.5-163.385.9000110.9Y47 Q48 P49 Q51 E53 A58 S59 M401 F447 H455 C456 S457Y47-W445 VanDerWaalsContact CB-CZ2 3.49Å; Y47-W445 AromaticContact CD2-CE2 3.96Å; Y47-W445 AromaticContact CD2-CZ2 3.63Å; Y47-W445 HydrophobicContact CD2-CZ2 3.63Å; Y47-W445 AromaticContact CD2-NE1 3.79Å; Y47-W445 HydrophobicContact CG-CH2 4.47Å; Y47-W445 AromaticContact CG-CZ2 3.69Å; Y47-W445 HydrophobicContact CG-CZ2 3.69Å; Q48-W445 CarbonylContact O-C 3.59Å; Q48-W445 WeakPolarHBondContact O-CA 3.23Å; P49-W445 PolarHBondContact O-NE1 3.09Å; Q51-W445 PolarHBondContact O-NE1 3.17Å; E53-W445 HydrophobicContact CB-CD2 3.91Å; E53-W445 HydrophobicContact CB-CE3 4.03Å; E53-W445 HydrophobicContact CB-CG 4.34Å; E53-W445 HydrophobicContact CB-CH2 4.46Å; E53-W445 HydrophobicContact CB-CZ2 4.34Å; E53-W445 HydrophobicContact CB-CZ3 4.29Å; E53-W445 HydrophobicContact CG-CB 4.43Å; E53-W445 HydrophobicContact CG-CD2 3.93Å; E53-W445 HydrophobicContact CG-CE3 3.79Å; E53-W445 HydrophobicContact CG-CG 4.22Å; E53-W445 HydrophobicContact CG-CZ3 4.33Å; A58-W445 HydrophobicContact CB-CB 4.25Å; A58-W445 HydrophobicContact CB-CG 4.16Å; S59-W445 VanDerWaalsContact OG-CB 3.32Å; S59-W445 WeakPolarHBondContact OG-CB 3.3Å; M401-W445 HydrophobicContact CE-CH2 3.81Å; M401-W445 HydrophobicContact CE-CZ3 4.29Å; M401-W445 HydrophobicContact SD-CZ3 4.45Å; W445-F447 HydrophobicContact CE3-CB 4.26Å; W445-F447 HydrophobicContact CH2-CB 3.5Å; W445-F447 VanDerWaalsContact CH2-CB 3.5Å; W445-F447 HydrophobicContact CH2-CG 4.07Å; W445-F447 HydrophobicContact CZ2-CB 4.36Å; W445-F447 HydrophobicContact CZ3-CB 3.45Å; W445-F447 VanDerWaalsContact CZ3-CB 3.45Å; W445-F447 HydrophobicContact CZ3-CG 4.35Å; W445-H455 AromaticContact CE3-CD2 3.87Å; W445-H455 AromaticContact CZ3-CD2 3.57Å; W445-C456 CarbonylContact O-C 3.53Å; W445-C456 WeakPolarHBondContact O-CA 3.42Å; W445-S457 PolarHBondContact N-O 3.11Å; W445-S457 PolarHBondContact O-N 2.92Å
446C96Very high93.4Very high0 Ų023.3 Ų23.30%012%0.116CC..EExtended strand (participates in β ladder)trans-135.9142.2177.6-63.90000110.4F42 Y47 Q48 Y438 F443 H455 C456F42-C446 HydrophobicContact CE1-CB 4.01Å; F42-C446 HydrophobicContact CZ-CB 4.11Å; Y47-C446 CarbonylContact C-O 3.5Å; Y47-C446 WeakPolarHBondContact CA-O 3.36Å; Y47-C446 WeakPolarHBondContact CB-O 3.26Å; Q48-C446 PolarHBondContact N-O 2.94Å; Q48-C446 PolarHBondContact O-N 3.47Å; Y438-C446 HydrophobicContact CD2-CB 4.4Å; F443-C446 WeakPolarHBondContact CB-SG 3.33Å; C446-H455 CarbonylContact C-O 3.56Å; C446-H455 WeakPolarHBondContact CA-O 3.47Å; C446-C456 PolarHBondContact SG-SG 3.21Å
447F95.1Very high93.5Very high25 Ų2522.7 Ų22.711%0.1111%0.113CC..EExtended strand (participates in β ladder)trans-138.1126.9178169.2-123.4000110.8E46 Y47 M401 W445 N449 V454 H455E46-F447 WeakPolarHBondContact O-CD2 3.37Å; Y47-F447 HydrophobicContact CD1-CD2 4.42Å; M401-F447 HydrophobicContact CE-CD1 3.63Å; M401-F447 HydrophobicContact CE-CE1 3.73Å; M401-F447 HydrophobicContact CE-CG 4.27Å; M401-F447 HydrophobicContact CE-CZ 4.42Å; M401-F447 HydrophobicContact SD-CD1 3.81Å; M401-F447 HydrophobicContact SD-CE1 4.12Å; W445-F447 HydrophobicContact CE3-CB 4.26Å; W445-F447 HydrophobicContact CH2-CB 3.5Å; W445-F447 VanDerWaalsContact CH2-CB 3.5Å; W445-F447 HydrophobicContact CH2-CG 4.07Å; W445-F447 HydrophobicContact CZ2-CB 4.36Å; W445-F447 HydrophobicContact CZ3-CB 3.45Å; W445-F447 VanDerWaalsContact CZ3-CB 3.45Å; W445-F447 HydrophobicContact CZ3-CG 4.35Å; F447-N449 HydrophobicContact CD1-CB 4.08Å; F447-N449 HydrophobicContact CE1-CB 3.65Å; F447-N449 HydrophobicContact CZ-CB 4.32Å; F447-N449 PolarHBondContact O-N 3.03Å; F447-V454 WeakPolarHBondContact O-CA 3.28Å; F447-H455 HydrophobicContact CB-CB 4.32Å; F447-H455 HydrophobicContact CD1-CB 4.25Å; F447-H455 PolarHBondContact N-O 3.5Å; F447-H455 PolarHBondContact O-N 2.96Å
448F94.6Very high93.3Very high2 Ų222.7 Ų22.71%0.00911%0.113CC..EExtended strand (participates in β ladder)trans-87100.8171-179.3-171.8000109.4F42 V43 P44 G45 E46 L430F42-F448 HydrophobicContact CB-CB 4.16Å; F42-F448 HydrophobicContact CB-CD1 4.37Å; V43-F448 VanDerWaalsContact C-CD1 3.47Å; P44-F448 HydrophobicContact CB-CD1 4.36Å; P44-F448 HydrophobicContact CB-CE1 4.06Å; P44-F448 HydrophobicContact CB-CZ 4.2Å; P44-F448 HydrophobicContact CG-CD1 4.15Å; P44-F448 HydrophobicContact CG-CE1 3.47Å; P44-F448 VanDerWaalsContact CG-CE1 3.47Å; P44-F448 HydrophobicContact CG-CZ 3.73Å; G45-F448 WeakPolarHBondContact CA-O 3.42Å; G45-F448 PolarHBondContact N-O 3.14Å; E46-F448 PolarHBondContact O-N 2.97Å; L430-F448 HydrophobicContact CB-CD2 4.19Å; L430-F448 HydrophobicContact CB-CE1 4.27Å; L430-F448 HydrophobicContact CB-CE2 3.59Å; L430-F448 HydrophobicContact CB-CZ 3.63Å; L430-F448 HydrophobicContact CD1-CE2 3.82Å; L430-F448 HydrophobicContact CD1-CZ 4.21Å; L430-F448 HydrophobicContact CG-CE2 4.35Å
449N91.6Very high93Very high30 Ų3023.8 Ų23.816%0.1612%0.118CC..EExtended strand (participates in β ladder)trans-73.6134.7178.7-164.4-20.7000111.4F447 A451 G452 H453F447-N449 HydrophobicContact CD1-CB 4.08Å; F447-N449 HydrophobicContact CE1-CB 3.65Å; F447-N449 HydrophobicContact CZ-CB 4.32Å; F447-N449 PolarHBondContact O-N 3.03Å; N449-A451 PolarHBondContact O-N 3.23Å; N449-A451 VanDerWaalsContact O-N 3.13Å; N449-A451 PolarHBondContact OD1-N 3.22Å; N449-G452 PolarHBondContact O-N 3.36Å; N449-H453 WeakPolarHBondContact CB-NE2 3.13Å; N449-H453 WeakPolarHBondContact CB-O 3.4Å; N449-H453 PolarHBondContact N-O 3.14Å; N449-H453 PolarHBondContact ND2-CE1 3.06Å; N449-H453 PolarHBondContact ND2-NE2 3.09Å
450R88.2Confident92.6Very high159 Ų15925.9 Ų25.960%0.613%0.134SC*.THydrogen-bonded Turntrans-62.6-16.7174.6-64.5-176.5179.7176.71.9113.3P44 P368 G452P44-R450 HydrophobicContact CB-CG 4.07Å; P368-R450 VanDerWaalsContact CB-NH1 3.28Å; R450-G452 PolarHBondContact O-N 2.93Å
451A86.9Confident91.8Very high61 Ų6126 Ų2650%0.50413%0.133SC..THydrogen-bonded Turntrans-66.8-9.8170.500000113.7N449N449-A451 PolarHBondContact O-N 3.23Å; N449-A451 VanDerWaalsContact O-N 3.13Å; N449-A451 PolarHBondContact OD1-N 3.22Å
452G88.5Confident90.5Very high6 Ų628.1 Ų28.16%0.06215%0.148CC..THydrogen-bonded Turntrans93.330.9176.300000114L430 N449 R450L430-G452 WeakPolarHBondContact CD1-O 3.28Å; N449-G452 PolarHBondContact O-N 3.36Å; R450-G452 PolarHBondContact O-N 2.93Å
453H93.5Very high88.8Confident28 Ų2828.1 Ų28.113%0.1315%0.15CC..EExtended strand (participates in β ladder)trans-136.4163170.462.7-94000109.9I123 D412 M413 N449I123-H453 HydrophobicContact CD1-CB 3.84Å; D412-H453 IonicContact OD1-CD2 2.69Å; M413-H453 CarbonylContact O-C 3.16Å; M413-H453 WeakPolarHBondContact O-CA 3.24Å; M413-H453 WeakPolarHBondContact O-CB 3.16Å; N449-H453 WeakPolarHBondContact CB-NE2 3.13Å; N449-H453 WeakPolarHBondContact CB-O 3.4Å; N449-H453 PolarHBondContact N-O 3.14Å; N449-H453 PolarHBondContact ND2-CE1 3.06Å; N449-H453 PolarHBondContact ND2-NE2 3.09Å
454V96.4Very high86.7Confident0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-107.1120.8174.4176.50000108M413 L430 L433 A434 F447 C456M413-V454 PolarHBondContact N-O 2.9Å; M413-V454 PolarHBondContact O-N 3.36Å; L430-V454 HydrophobicContact CB-CG2 4.31Å; L430-V454 HydrophobicContact CD2-CG2 4.22Å; L430-V454 WeakPolarHBondContact O-CG2 3.15Å; L433-V454 HydrophobicContact CB-CG2 4.28Å; L433-V454 HydrophobicContact CD2-CB 4.01Å; L433-V454 HydrophobicContact CD2-CG2 3.83Å; L433-V454 HydrophobicContact CG-CB 4.37Å; L433-V454 HydrophobicContact CG-CG2 4.09Å; A434-V454 HydrophobicContact CB-CG1 3.8Å; A434-V454 HydrophobicContact CB-CG2 4.03Å; F447-V454 WeakPolarHBondContact O-CA 3.28Å; V454-C456 VanDerWaalsContact CG1-SG 3.6Å
455H96.3Very high84.6Confident2 Ų229.6 Ų29.61%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-91133.9171.3178.691.2000108.9E53 H405 D412 W445 C446 F447E53-H455 IonicContact OE1-NE2 2.68Å; E53-H455 PolarHBondContact OE1-NE2 3.47Å; E53-H455 VanDerWaalsContact OE1-NE2 3.14Å; E53-H455 IonicContact OE2-NE2 3.16Å; H405-H455 AromaticContact CD2-CE1 3.91Å; H405-H455 AromaticContact NE2-CE1 3.3Å; H405-H455 PolarHBondContact NE2-CE1 3.35Å; H405-H455 VanDerWaalsContact NE2-CE1 3.3Å; H405-H455 AromaticContact NE2-ND1 3.36Å; H405-H455 PolarHBondContact NE2-ND1 3.16Å; D412-H455 WeakPolarHBondContact OD1-CB 3.4Å; D412-H455 IonicContact OD1-CE1 2.93Å; D412-H455 IonicContact OD1-CG 3.4Å; D412-H455 IonicContact OD1-ND1 3.5Å; D412-H455 PolarHBondContact OD1-ND1 3.25Å; W445-H455 AromaticContact CE3-CD2 3.87Å; W445-H455 AromaticContact CZ3-CD2 3.57Å; C446-H455 CarbonylContact C-O 3.56Å; C446-H455 WeakPolarHBondContact CA-O 3.47Å; F447-H455 HydrophobicContact CB-CB 4.32Å; F447-H455 HydrophobicContact CD1-CB 4.25Å; F447-H455 PolarHBondContact N-O 3.5Å; F447-H455 PolarHBondContact O-N 2.96Å
456C96.4Very high82.5Confident0 Ų031.6 Ų31.60%018%0.175CC..EExtended strand (participates in β ladder)trans-138.5144.4176.8-66.40000110.6A410 V411 M413 F443 W445 C446 V454A410-C456 CarbonylContact C-O 3.58Å; A410-C456 VanDerWaalsContact CA-O 3.23Å; A410-C456 WeakPolarHBondContact CA-O 3.13Å; V411-C456 HydrophobicContact CG2-CB 4.24Å; V411-C456 PolarHBondContact N-O 3.08Å; V411-C456 PolarHBondContact O-N 3.44Å; M413-C456 HydrophobicContact CE-CB 3.95Å; M413-C456 WeakPolarHBondContact CE-SG 3.38Å; F443-C456 HydrophobicContact CB-CB 4.18Å; F443-C456 HydrophobicContact CD1-CB 3.44Å; F443-C456 VanDerWaalsContact CD1-CB 3.44Å; F443-C456 HydrophobicContact CD2-CB 4.23Å; F443-C456 HydrophobicContact CE1-CB 3.76Å; F443-C456 HydrophobicContact CG-CB 3.69Å; F443-C456 HydrophobicContact CZ-CB 4.28Å; W445-C456 CarbonylContact O-C 3.53Å; W445-C456 WeakPolarHBondContact O-CA 3.42Å; C446-C456 PolarHBondContact SG-SG 3.21Å; V454-C456 VanDerWaalsContact CG1-SG 3.6Å
457S95.4Very high80.4Confident0 Ų036.1 Ų36.10%020%0.196CC..EExtended strand (participates in β ladder)trans-143.4167.5176.262.60000113.4E53 S59 R409 D444 W445E53-S457 VanDerWaalsContact CG-OG 3.3Å; E53-S457 WeakPolarHBondContact CG-OG 3.44Å; E53-S457 WeakPolarHBondContact OE1-CB 3.16Å; E53-S457 PolarHBondContact OE1-OG 3.08Å; S59-S457 WeakPolarHBondContact CB-OG 3.41Å; S59-S457 VanDerWaalsContact OG-C 3.22Å; S59-S457 WeakPolarHBondContact OG-CB 3.5Å; S59-S457 PolarHBondContact OG-O 2.73Å; S59-S457 PolarHBondContact OG-OG 3.29Å; R409-S457 CarbonylContact O-C 3.5Å; R409-S457 WeakPolarHBondContact O-CA 3.32Å; R409-S457 WeakPolarHBondContact O-CB 3.35Å; D444-S457 PolarHBondContact N-O 3.45Å; W445-S457 PolarHBondContact N-O 3.11Å; W445-S457 PolarHBondContact O-N 2.92Å
458V92.6Very high78.4Confident0 Ų035.6 Ų35.60%019%0.193CC..  trans-132.1152.6-169-51.70000112S59 C98 R409 F443 D444S59-V458 PolarHBondContact OG-N 3.29Å; C98-V458 HydrophobicContact CB-CG1 4.33Å; C98-V458 HydrophobicContact CB-CG2 3.79Å; R409-V458 HydrophobicContact CB-CG2 4.09Å; R409-V458 HydrophobicContact CG-CG2 4.41Å; R409-V458 PolarHBondContact NH1-O 3.22Å; R409-V458 PolarHBondContact O-N 2.91Å; F443-V458 HydrophobicContact CD1-CG1 3.6Å; F443-V458 HydrophobicContact CE1-CG1 3.91Å; D444-V458 WeakPolarHBondContact OD2-CA 3.3Å
459K89.6Confident77Confident39 Ų3936.2 Ų36.217%0.1720%0.196CC..PPolyproline II helixtrans-58.8154.7167.3-75178.7-173.8178.50111.6Y31 A58 S59 D444Y31-K459 PolarHBondContact O-NZ 2.93Å; A58-K459 WeakPolarHBondContact O-CE 3.42Å; A58-K459 WeakPolarHBondContact O-CG 3.39Å; S59-K459 WeakPolarHBondContact O-CA 3.36Å; D444-K459 HydrophobicContact CB-CG 4.08Å; D444-K459 PolarHBondContact OD2-N 3.31Å
460P84.3Confident75.9Confident64 Ų6434.9 Ų34.942%0.41619%0.189SC..PPolyproline II helixtrans-61.1146.4177.427-34.7000111.4
461D75.8Confident75.9Confident42 Ų4227.5 Ų27.523%0.22516%0.162CC..PPolyproline II helixtrans-63.5151.2173.6-71.7-21.4000110.5T95 K96 G97 I463T95-D461 WeakPolarHBondContact CB-OD2 3.35Å; K96-D461 WeakPolarHBondContact CB-OD2 3.14Å; K96-D461 PolarHBondContact N-OD2 3.32Å; G97-D461 WeakPolarHBondContact CA-OD1 3.47Å; G97-D461 PolarHBondContact N-OD1 3.25Å; G97-D461 PolarHBondContact N-OD2 2.91Å; D461-I463 PolarHBondContact O-N 2.78Å
462S64.8Low76.2Confident47 Ų4724.6 Ų24.633%0.32914%0.138SC..PPolyproline II helixtrans-68.5121.1173.735.40000109.5V464 T465S462-V464 PolarHBondContact O-N 3.42Å; S462-T465 PolarHBondContact O-N 3.15Å; S462-T465 PolarHBondContact O-OG1 3.4Å; S462-T465 WeakPolarHBondContact OG-CG2 3.41Å
463I56.2Low76.4Confident73 Ų7324.4 Ų24.437%0.37414%0.135SC..THydrogen-bonded Turntrans-45.9-33.6-177.3-64.7154.4000112.5D461 T465D461-I463 PolarHBondContact O-N 2.78Å; I463-T465 VanDerWaalsContact C-N 3.26Å; I463-T465 PolarHBondContact O-N 3.2Å
464V51Low76.4Confident13 Ų1323.9 Ų23.98%0.07914%0.135CC..Hα-helixtrans-65-25.5-176.4-173.10000113.4S462 S466 Q737 Y740S462-V464 PolarHBondContact O-N 3.42Å; V464-S466 PolarHBondContact O-N 2.8Å; V464-Q737 HydrophobicContact CB-CG 4.41Å; V464-Q737 HydrophobicContact CG1-CB 4.37Å; V464-Q737 HydrophobicContact CG1-CG 4.06Å; V464-Y740 HydrophobicContact CB-CD2 4.06Å; V464-Y740 HydrophobicContact CB-CE2 4.37Å; V464-Y740 HydrophobicContact CB-CG 4.37Å; V464-Y740 HydrophobicContact CG1-CD2 3.54Å; V464-Y740 HydrophobicContact CG1-CE2 4.3Å; V464-Y740 HydrophobicContact CG1-CG 3.81Å; V464-Y740 HydrophobicContact CG2-CD1 3.8Å; V464-Y740 HydrophobicContact CG2-CD2 3.73Å; V464-Y740 HydrophobicContact CG2-CE1 4.06Å; V464-Y740 HydrophobicContact CG2-CE2 3.9Å; V464-Y740 HydrophobicContact CG2-CG 3.73Å
465T49.7Very low76.1Confident21 Ų2128.4 Ų28.413%0.12916%0.156CC..Hα-helixtrans-79.7-20-160.5550000116.5S462 I463 V732S462-T465 PolarHBondContact O-N 3.15Å; S462-T465 PolarHBondContact O-OG1 3.4Å; S462-T465 WeakPolarHBondContact OG-CG2 3.41Å; I463-T465 VanDerWaalsContact C-N 3.26Å; I463-T465 PolarHBondContact O-N 3.2Å; T465-V732 WeakPolarHBondContact O-CG2 3.19Å
466S50.3Low76Confident52 Ų5228.4 Ų28.436%0.36416%0.156SC..Hα-helixtrans-131.2-17.6-177.960.10000115V464V464-S466 PolarHBondContact O-N 2.8Å
467Q52.3Low75.9Confident94 Ų9432.3 Ų32.344%0.43917%0.173SC..Hα-helixtrans-91.4-10.7-173-66.4-177.1-12.600114.3
468W52.7Low76Confident15 Ų1532.3 Ų32.36%0.05717%0.173CC..SBendtrans-92.5-17.2-172.4-104.344.1000115.1Y689 I739 Y740 T743 Y744 F752W468-Y689 AromaticContact CD2-CD1 3.91Å; W468-Y689 HydrophobicContact CD2-CD1 3.91Å; W468-Y689 HydrophobicContact CD2-CE1 4.26Å; W468-Y689 AromaticContact CE2-CD1 3.46Å; W468-Y689 VanDerWaalsContact CE2-CD1 3.46Å; W468-Y689 AromaticContact CE2-CE1 3.36Å; W468-Y689 HydrophobicContact CE3-CD1 4.48Å; W468-Y689 HydrophobicContact CG-CD1 4.29Å; W468-Y689 HydrophobicContact CH2-CD1 4.28Å; W468-Y689 HydrophobicContact CH2-CE1 4.38Å; W468-Y689 AromaticContact CZ2-CD1 3.69Å; W468-Y689 HydrophobicContact CZ2-CD1 3.69Å; W468-Y689 AromaticContact CZ2-CE1 3.45Å; W468-Y689 HydrophobicContact CZ2-CE1 3.45Å; W468-Y689 VanDerWaalsContact CZ2-CE1 3.45Å; W468-Y689 AromaticContact NE1-CD1 3.53Å; W468-Y689 AromaticContact NE1-CE1 3.18Å; W468-Y689 AromaticContact NE1-CZ 3.65Å; W468-Y689 WeakPolarHBondContact O-CB 3.37Å; W468-I739 HydrophobicContact CZ3-CG2 4.47Å; W468-Y740 AromaticContact CD1-CD2 3.57Å; W468-Y740 AromaticContact CD1-CE2 3.34Å; W468-Y740 AromaticContact CD2-CD2 3.38Å; W468-Y740 HydrophobicContact CD2-CD2 3.38Å; W468-Y740 AromaticContact CD2-CE2 3.97Å; W468-Y740 HydrophobicContact CD2-CE2 3.97Å; W468-Y740 HydrophobicContact CD2-CG 4.37Å; W468-Y740 AromaticContact CE2-CD2 2.99Å; W468-Y740 AromaticContact CE2-CE2 3.3Å; W468-Y740 AromaticContact CE2-CG 3.96Å; W468-Y740 HydrophobicContact CE3-CD2 4.08Å; W468-Y740 AromaticContact CG-CD2 3.75Å; W468-Y740 HydrophobicContact CG-CD2 3.75Å; W468-Y740 HydrophobicContact CG-CE2 4.01Å; W468-Y740 HydrophobicContact CH2-CD2 4.12Å; W468-Y740 HydrophobicContact CH2-CG 4.35Å; W468-Y740 AromaticContact CZ2-CD2 3.43Å; W468-Y740 HydrophobicContact CZ2-CD2 3.43Å; W468-Y740 VanDerWaalsContact CZ2-CD2 3.43Å; W468-Y740 AromaticContact CZ2-CE2 3.87Å; W468-Y740 HydrophobicContact CZ2-CE2 3.87Å; W468-Y740 AromaticContact CZ2-CG 3.95Å; W468-Y740 HydrophobicContact CZ2-CG 3.95Å; W468-Y740 HydrophobicContact CZ3-CD2 4.41Å; W468-Y740 AromaticContact NE1-CD2 3.18Å; W468-Y740 AromaticContact NE1-CE2 2.91Å; W468-Y740 AromaticContact NE1-CZ 3.96Å; W468-T743 VanDerWaalsContact CH2-OG1 3.23Å; W468-T743 WeakPolarHBondContact CH2-OG1 3.46Å; W468-Y744 AromaticContact CE2-CE2 3.87Å; W468-Y744 HydrophobicContact CH2-CE2 4.45Å; W468-Y744 AromaticContact CZ2-CD2 3.91Å; W468-Y744 HydrophobicContact CZ2-CD2 3.91Å; W468-Y744 AromaticContact CZ2-CE2 3.35Å; W468-Y744 HydrophobicContact CZ2-CE2 3.35Å; W468-Y744 AromaticContact NE1-CE2 3.85Å; W468-F752 HydrophobicContact CH2-CE1 4.31Å; W468-F752 HydrophobicContact CZ2-CE1 4.21Å
469F65.4Low76.2Confident15 Ų1533.3 Ų33.37%0.06618%0.178CC..  trans-121.799.1-168.2-48.9-62000109C471 L516 D517 A669 V732 I736F469-C471 PolarHBondContact O-N 3.32Å; F469-C471 VanDerWaalsContact O-N 3.07Å; F469-C471 PolarHBondContact O-SG 3.21Å; F469-L516 HydrophobicContact CB-CB 4.19Å; F469-L516 HydrophobicContact CD1-CB 3.39Å; F469-L516 HydrophobicContact CD1-CD1 3.64Å; F469-L516 HydrophobicContact CD1-CD2 4.24Å; F469-L516 HydrophobicContact CD1-CG 3.89Å; F469-L516 HydrophobicContact CD2-CB 4.28Å; F469-L516 HydrophobicContact CE1-CB 3.85Å; F469-L516 HydrophobicContact CE1-CD1 4.08Å; F469-L516 HydrophobicContact CE1-CD2 3.95Å; F469-L516 HydrophobicContact CE1-CG 4.14Å; F469-L516 HydrophobicContact CG-CB 3.63Å; F469-D517 HydrophobicContact CB-CB 3.89Å; F469-D517 HydrophobicContact CD2-CB 3.91Å; F469-D517 HydrophobicContact CG-CB 4.2Å; F469-A669 HydrophobicContact CB-CB 3.91Å; F469-V732 HydrophobicContact CD2-CG2 3.91Å; F469-V732 HydrophobicContact CE2-CB 4.32Å; F469-V732 HydrophobicContact CE2-CG1 3.77Å; F469-V732 HydrophobicContact CE2-CG2 3.52Å; F469-V732 HydrophobicContact CZ-CG1 4.12Å; F469-I736 HydrophobicContact CE1-CG2 3.79Å; F469-I736 HydrophobicContact CE2-CG2 4.09Å; F469-I736 HydrophobicContact CZ-CG2 3.17Å
470G67.8Low76.5Confident2 Ų233.4 Ų33.42%0.02118%0.178CC..  trans-51.3115.5161.200000109T592 D594 H595G470-T592 WeakPolarHBondContact CA-OG1 3.49Å; G470-D594 WeakPolarHBondContact CA-OD1 3.46Å; G470-D594 WeakPolarHBondContact CA-OD2 3.32Å; G470-D594 PolarHBondContact N-OD2 3.29Å; G470-D594 VanDerWaalsContact N-OD2 3.09Å; G470-H595 VanDerWaalsContact C-ND1 3.34Å; G470-H595 PolarHBondContact O-ND1 3.09Å
471C87.7Confident76.9Confident3 Ų332.9 Ų32.92%0.0218%0.176CC..PPolyproline II helixtrans-101.7158.7-176.5-70.20000112.1F469 T592 L667 Y668F469-C471 PolarHBondContact O-N 3.32Å; F469-C471 VanDerWaalsContact O-N 3.07Å; F469-C471 PolarHBondContact O-SG 3.21Å; C471-T592 HydrophobicContact CB-CG2 4.32Å; C471-T592 PolarHBondContact N-OG1 3.13Å; C471-T592 WeakPolarHBondContact O-CG2 3.45Å; C471-T592 PolarHBondContact O-N 3.42Å; C471-T592 PolarHBondContact O-OG1 2.96Å; C471-L667 HydrophobicContact CB-CB 3.57Å; C471-L667 HydrophobicContact CB-CD1 4.46Å; C471-L667 HydrophobicContact CB-CD2 3.94Å; C471-L667 HydrophobicContact CB-CG 4.18Å; C471-Y668 WeakPolarHBondContact CA-O 3.44Å
472F93.9Very high77.7Confident1 Ų136.1 Ų36.10%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-93.3155.3163.9-54.4-72.5000110.6M488 L591 H595 L667 Y668 P670 V679 V684F472-M488 HydrophobicContact CB-CE 3.72Å; F472-M488 HydrophobicContact CB-CG 4.05Å; F472-M488 HydrophobicContact CB-SD 4.41Å; F472-M488 HydrophobicContact CD1-CE 4.41Å; F472-M488 HydrophobicContact CD2-CE 3.62Å; F472-M488 HydrophobicContact CD2-SD 4.21Å; F472-M488 HydrophobicContact CE2-CE 4.32Å; F472-M488 HydrophobicContact CG-CE 3.67Å; F472-L591 HydrophobicContact CD1-CD2 3.52Å; F472-L591 HydrophobicContact CE1-CD2 3.49Å; F472-L591 VanDerWaalsContact CE1-CD2 3.49Å; F472-H595 AromaticContact CE1-CD2 3.93Å; F472-H595 AromaticContact CE1-CE1 3.36Å; F472-H595 WeakPolarHBondContact CE1-CE1 3.38Å; F472-H595 AromaticContact CE1-NE2 3.18Å; F472-H595 WeakPolarHBondContact CE1-NE2 3.48Å; F472-H595 AromaticContact CE2-CE1 3.54Å; F472-H595 AromaticContact CZ-CE1 3.03Å; F472-H595 WeakPolarHBondContact CZ-CE1 3.49Å; F472-H595 AromaticContact CZ-NE2 3.05Å; F472-H595 WeakPolarHBondContact CZ-NE2 3.48Å; F472-L667 WeakPolarHBondContact O-CA 3.4Å; F472-Y668 WeakPolarHBondContact CD2-O 3.5Å; F472-Y668 PolarHBondContact N-O 2.78Å; F472-Y668 PolarHBondContact O-N 3.36Å; F472-P670 HydrophobicContact CD2-CG 4.05Å; F472-P670 HydrophobicContact CE2-CG 3.99Å; F472-V679 HydrophobicContact CD1-CB 4.33Å; F472-V679 HydrophobicContact CD1-CG1 3.96Å; F472-V679 HydrophobicContact CD1-CG2 4.06Å; F472-V679 HydrophobicContact CE1-CB 4.17Å; F472-V679 HydrophobicContact CE1-CG1 4.3Å; F472-V679 HydrophobicContact CE1-CG2 3.71Å; F472-V679 HydrophobicContact CE2-CG2 4.33Å; F472-V679 HydrophobicContact CZ-CG2 3.83Å; F472-V684 HydrophobicContact CE1-CB 4.38Å; F472-V684 HydrophobicContact CE1-CG2 3.72Å; F472-V684 HydrophobicContact CZ-CG2 3.68Å
473S92.9Very high78.9Confident2 Ų235.1 Ų35.11%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-72.8150173.5-173.90000111.6E475 S476 M488S473-E475 PolarHBondContact O-N 3.01Å; S473-E475 VanDerWaalsContact O-N 3.13Å; S473-S476 WeakPolarHBondContact O-CB 3.39Å; S473-S476 PolarHBondContact O-N 3.15Å; S473-S476 VanDerWaalsContact O-N 3.16Å; S473-M488 VanDerWaalsContact O-CB 3.29Å; S473-M488 WeakPolarHBondContact O-CB 3.33Å
474S92Very high80.7Confident17 Ų1736.6 Ų36.612%0.11920%0.195CC..THydrogen-bonded Turntrans-49.6-33.8171.756.50000114.3S487 M488 K489 I665 G666S474-S487 PolarHBondContact O-OG 2.81Å; S474-M488 PolarHBondContact O-N 3.07Å; S474-K489 PolarHBondContact O-N 2.81Å; S474-I665 PolarHBondContact OG-O 2.89Å; S474-G666 PolarHBondContact N-O 3.42Å
475E90.3Very high82.8Confident95 Ų9540.3 Ų40.344%0.44421%0.214SC..THydrogen-bonded Turntrans-83-20.8-175.8-66.9178.2-173.500114.4S473 K477 K664S473-E475 PolarHBondContact O-N 3.01Å; S473-E475 VanDerWaalsContact O-N 3.13Å; E475-K477 WeakPolarHBondContact O-CD 3.23Å; E475-K477 VanDerWaalsContact O-CE 3.24Å; E475-K477 WeakPolarHBondContact O-CE 3.25Å; E475-K477 PolarHBondContact O-NZ 2.91Å; E475-K664 WeakPolarHBondContact OE2-CD 3.12Å; E475-K664 WeakPolarHBondContact OE2-CE 3.37Å; E475-K664 IonicContact OE2-NZ 3.61Å; E475-K664 PolarHBondContact OE2-NZ 3.26Å
476S94.6Very high85.1Confident2 Ų240.2 Ų40.21%0.01421%0.213CC..  trans-56.7146.4-178.9-73.90000111.2S473 S487 M488 D680S473-S476 WeakPolarHBondContact O-CB 3.39Å; S473-S476 PolarHBondContact O-N 3.15Å; S473-S476 VanDerWaalsContact O-N 3.16Å; S476-S487 CarbonylContact O-C 3.57Å; S476-S487 WeakPolarHBondContact O-CA 3.44Å; S476-M488 WeakPolarHBondContact O-CB 3.34Å; S476-M488 PolarHBondContact O-N 2.68Å; S476-D680 WeakPolarHBondContact CA-OD1 3.49Å; S476-D680 PolarHBondContact OG-OD2 2.75Å
477K95.7Very high87.2Confident81 Ų8138.1 Ų38.135%0.35220%0.198SC..EExtended strand (participates in β ladder)trans-108.1141.8-170.9-56.9-57.5-179.5-165.60112.7E475 L485 I486 S487 V679 D680E475-K477 WeakPolarHBondContact O-CD 3.23Å; E475-K477 VanDerWaalsContact O-CE 3.24Å; E475-K477 WeakPolarHBondContact O-CE 3.25Å; E475-K477 PolarHBondContact O-NZ 2.91Å; K477-L485 HydrophobicContact CB-CD1 3.72Å; K477-L485 HydrophobicContact CB-CD2 4.33Å; K477-L485 HydrophobicContact CB-CG 4.06Å; K477-L485 HydrophobicContact CG-CD2 4.4Å; K477-L485 HydrophobicContact CG-CG 4.47Å; K477-I486 WeakPolarHBondContact CA-O 3.48Å; K477-S487 PolarHBondContact NZ-OG 2.79Å; K477-S487 VanDerWaalsContact NZ-OG 3.17Å; K477-V679 CarbonylContact O-C 3.58Å; K477-V679 WeakPolarHBondContact O-CA 3.38Å; K477-D680 PolarHBondContact N-OD1 2.74Å; K477-D680 PolarHBondContact O-N 3.09Å
478V96.8Very high89.2Confident1 Ų133.6 Ų33.61%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-135.5145.2176.5-60.80000110.6I486 M488 L491 M677 V679V478-I486 HydrophobicContact CG2-CD1 3.96Å; V478-I486 HydrophobicContact CG2-CG1 3.53Å; V478-I486 PolarHBondContact N-O 3.3Å; V478-I486 PolarHBondContact O-N 2.75Å; V478-M488 HydrophobicContact CG1-CE 3.57Å; V478-M488 HydrophobicContact CG1-SD 4.45Å; V478-L491 HydrophobicContact CG2-CD1 4.14Å; V478-M677 HydrophobicContact CG1-CE 3.94Å; V478-V679 HydrophobicContact CG1-CG2 3.96Å
479F96.7Very high91.2Very high20 Ų2038 Ų389%0.08820%0.197CC..EExtended strand (participates in β ladder)trans-89.6122.7175.6-72.7-84.9000110.5L485 I497 I498 Y628 H630F479-L485 HydrophobicContact CD1-CB 4.46Å; F479-L485 HydrophobicContact CD1-CD1 4Å; F479-L485 HydrophobicContact CD2-CD1 4Å; F479-L485 HydrophobicContact CE1-CB 4.27Å; F479-L485 HydrophobicContact CE1-CD1 3.83Å; F479-L485 HydrophobicContact CE2-CD1 3.81Å; F479-L485 HydrophobicContact CG-CD1 4.09Å; F479-L485 HydrophobicContact CZ-CD1 3.73Å; F479-I497 CarbonylContact O-C 3.51Å; F479-I497 VanDerWaalsContact O-CA 3.29Å; F479-I497 WeakPolarHBondContact O-CA 3.32Å; F479-I497 WeakPolarHBondContact O-CB 3.36Å; F479-I498 HydrophobicContact CB-CB 4.29Å; F479-I498 HydrophobicContact CB-CD1 4Å; F479-I498 HydrophobicContact CB-CG1 4.26Å; F479-I498 PolarHBondContact O-N 2.91Å; F479-Y628 HydrophobicContact CD2-CD1 4.27Å; F479-Y628 HydrophobicContact CD2-CE1 4.25Å; F479-Y628 HydrophobicContact CE2-CD1 4.41Å; F479-H630 HydrophobicContact CE1-CB 4.23Å; F479-H630 AromaticContact CE1-CG 3.89Å; F479-H630 HydrophobicContact CZ-CB 4.02Å
480K96Very high92.6Very high42 Ų4241.4 Ų41.418%0.18322%0.215CC..BIsolated β-bridgetrans-69158.8164.2-65-166.882.9155.10110.1N482 G483 Q484 I486 D495 Y496K480-N482 WeakPolarHBondContact CB-OD1 3.45Å; K480-N482 PolarHBondContact O-N 3.27Å; K480-N482 VanDerWaalsContact O-N 3.1Å; K480-G483 PolarHBondContact O-N 2.86Å; K480-Q484 HydrophobicContact CB-CB 4.37Å; K480-Q484 PolarHBondContact N-O 2.91Å; K480-I486 HydrophobicContact CD-CD1 3.99Å; K480-I486 HydrophobicContact CD-CG2 3.99Å; K480-I486 HydrophobicContact CG-CD1 3.77Å; K480-I486 HydrophobicContact CG-CG1 4.02Å; K480-I486 HydrophobicContact CG-CG2 4.14Å; K480-D495 WeakPolarHBondContact CE-OD1 3.23Å; K480-D495 VanDerWaalsContact NZ-CG 3.25Å; K480-D495 IonicContact NZ-OD1 2.75Å; K480-D495 PolarHBondContact NZ-OD1 2.74Å; K480-D495 IonicContact NZ-OD2 3.34Å; K480-D495 PolarHBondContact NZ-OD2 3.01Å; K480-Y496 CarbonylContact C-O 3.54Å; K480-Y496 WeakPolarHBondContact CA-O 3.41Å
481S93.1Very high93.8Very high52 Ų5241.5 Ų41.536%0.36422%0.215SC..THydrogen-bonded Turntrans-59-22.3179.658.30000114.5G483 Y496S481-G483 PolarHBondContact O-N 3.42Å; S481-Y496 PolarHBondContact N-O 2.81Å; S481-Y496 WeakPolarHBondContact OG-CB 3.4Å
482N91.4Very high94Very high111 Ų11148.2 Ų48.259%0.59424%0.244SC*.THydrogen-bonded Turntrans-81.94.317466.6-8.6000113.5K480 Q484K480-N482 WeakPolarHBondContact CB-OD1 3.45Å; K480-N482 PolarHBondContact O-N 3.27Å; K480-N482 VanDerWaalsContact O-N 3.1Å; N482-Q484 VanDerWaalsContact C-N 3.29Å; N482-Q484 PolarHBondContact O-N 2.89Å; N482-Q484 WeakPolarHBondContact OD1-CB 2.89Å; N482-Q484 PolarHBondContact OD1-N 2.95Å
483G90.8Very high93.7Very high25 Ų2550.3 Ų50.326%0.25826%0.255SS..SBendtrans83.3-3.6-176.400000114.6K480 S481 L485K480-G483 PolarHBondContact O-N 2.86Å; S481-G483 PolarHBondContact O-N 3.42Å; G483-L485 PolarHBondContact O-N 3.12Å
484Q94.2Very high93.5Very high105 Ų10551.8 Ų51.849%0.49127%0.271SS..  trans-69.5126.6178.6-172.9-178.26.500111K480 N482 I486K480-Q484 HydrophobicContact CB-CB 4.37Å; K480-Q484 PolarHBondContact N-O 2.91Å; N482-Q484 VanDerWaalsContact C-N 3.29Å; N482-Q484 PolarHBondContact O-N 2.89Å; N482-Q484 WeakPolarHBondContact OD1-CB 2.89Å; N482-Q484 PolarHBondContact OD1-N 2.95Å; Q484-I486 HydrophobicContact CG-CG2 4.01Å
485L95.5Very high93.6Very high91 Ų9152.2 Ų52.248%0.47627%0.271SS..EExtended strand (participates in β ladder)trans-82.5121.2171.9-168.466.5000110K477 F479 G483K477-L485 HydrophobicContact CB-CD1 3.72Å; K477-L485 HydrophobicContact CB-CD2 4.33Å; K477-L485 HydrophobicContact CB-CG 4.06Å; K477-L485 HydrophobicContact CG-CD2 4.4Å; K477-L485 HydrophobicContact CG-CG 4.47Å; F479-L485 HydrophobicContact CD1-CB 4.46Å; F479-L485 HydrophobicContact CD1-CD1 4Å; F479-L485 HydrophobicContact CD2-CD1 4Å; F479-L485 HydrophobicContact CE1-CB 4.27Å; F479-L485 HydrophobicContact CE1-CD1 3.83Å; F479-L485 HydrophobicContact CE2-CD1 3.81Å; F479-L485 HydrophobicContact CG-CD1 4.09Å; F479-L485 HydrophobicContact CZ-CD1 3.73Å; G483-L485 PolarHBondContact O-N 3.12Å
486I96.1Very high93.9Very high19 Ų1953.6 Ų53.610%0.09727%0.274CS..EExtended strand (participates in β ladder)trans-122.6159.3178.563.3165000111.3K477 V478 K480 Q484 L491K477-I486 WeakPolarHBondContact CA-O 3.48Å; V478-I486 HydrophobicContact CG2-CD1 3.96Å; V478-I486 HydrophobicContact CG2-CG1 3.53Å; V478-I486 PolarHBondContact N-O 3.3Å; V478-I486 PolarHBondContact O-N 2.75Å; K480-I486 HydrophobicContact CD-CD1 3.99Å; K480-I486 HydrophobicContact CD-CG2 3.99Å; K480-I486 HydrophobicContact CG-CD1 3.77Å; K480-I486 HydrophobicContact CG-CG1 4.02Å; K480-I486 HydrophobicContact CG-CG2 4.14Å; Q484-I486 HydrophobicContact CG-CG2 4.01Å; I486-L491 HydrophobicContact CD1-CB 4.27Å; I486-L491 HydrophobicContact CD1-CD1 3.83Å
487S95.8Very high94Very high7 Ų753.6 Ų53.65%0.04927%0.273CS..EExtended strand (participates in β ladder)trans-79.1151.1171.5-145.30000110.6S474 S476 K477 K489 D490 L491S474-S487 PolarHBondContact O-OG 2.81Å; S476-S487 CarbonylContact O-C 3.57Å; S476-S487 WeakPolarHBondContact O-CA 3.44Å; K477-S487 PolarHBondContact NZ-OG 2.79Å; K477-S487 VanDerWaalsContact NZ-OG 3.17Å; S487-K489 PolarHBondContact O-N 3.41Å; S487-D490 VanDerWaalsContact CB-OD2 3.24Å; S487-D490 WeakPolarHBondContact CB-OD2 3.39Å; S487-D490 WeakPolarHBondContact O-CB 3.38Å; S487-D490 PolarHBondContact O-N 3.34Å; S487-L491 PolarHBondContact O-N 3.18Å
488M94.9Very high94Very high0 Ų050.4 Ų50.40%026%0.26CS..G310 helixtrans-57.4-36.7178.7-170.263.468.900112.2F472 S473 S474 S476 V478 D490 L491 Y668 P670 M677 V679F472-M488 HydrophobicContact CB-CE 3.72Å; F472-M488 HydrophobicContact CB-CG 4.05Å; F472-M488 HydrophobicContact CB-SD 4.41Å; F472-M488 HydrophobicContact CD1-CE 4.41Å; F472-M488 HydrophobicContact CD2-CE 3.62Å; F472-M488 HydrophobicContact CD2-SD 4.21Å; F472-M488 HydrophobicContact CE2-CE 4.32Å; F472-M488 HydrophobicContact CG-CE 3.67Å; S473-M488 VanDerWaalsContact O-CB 3.29Å; S473-M488 WeakPolarHBondContact O-CB 3.33Å; S474-M488 PolarHBondContact O-N 3.07Å; S476-M488 WeakPolarHBondContact O-CB 3.34Å; S476-M488 PolarHBondContact O-N 2.68Å; V478-M488 HydrophobicContact CG1-CE 3.57Å; V478-M488 HydrophobicContact CG1-SD 4.45Å; M488-D490 PolarHBondContact O-N 2.88Å; M488-L491 VanDerWaalsContact O-CB 3.32Å; M488-L491 WeakPolarHBondContact O-CB 3.49Å; M488-L491 PolarHBondContact O-N 3.02Å; M488-L491 HydrophobicContact SD-CD2 3.91Å; M488-Y668 HydrophobicContact CG-CD2 4.23Å; M488-Y668 HydrophobicContact CG-CG 4.02Å; M488-P670 HydrophobicContact SD-CG 3.87Å; M488-M677 HydrophobicContact CE-CE 4.03Å; M488-M677 HydrophobicContact SD-CE 4.35Å; M488-V679 HydrophobicContact CE-CG1 3.96Å; M488-V679 HydrophobicContact CE-CG2 3.8Å
489K92.9Very high94Very high108 Ų10850.3 Ų50.347%0.4726%0.259SS..G310 helixtrans-61.5-22.7174.465.1172.1-171.7179.70114.7S474 S487 Y668S474-K489 PolarHBondContact O-N 2.81Å; S487-K489 PolarHBondContact O-N 3.41Å; K489-Y668 HydrophobicContact CB-CE1 4.31Å; K489-Y668 HydrophobicContact CB-CE2 4.15Å; K489-Y668 WeakPolarHBondContact CB-OH 3.1Å
490D94.8Very high93.7Very high85 Ų8550 Ų5046%0.45526%0.258SS..G310 helixtrans-97.4-4.1-176.8-55.2-47.8000111.8S487 M488S487-D490 VanDerWaalsContact CB-OD2 3.24Å; S487-D490 WeakPolarHBondContact CB-OD2 3.39Å; S487-D490 WeakPolarHBondContact O-CB 3.38Å; S487-D490 PolarHBondContact O-N 3.34Å; M488-D490 PolarHBondContact O-N 2.88Å
491L94.7Very high93.4Very high4 Ų449.8 Ų49.82%0.02126%0.259CS..  trans-72.6132.6178.3-173.268.3000110.7V478 I486 S487 M488 D495 I497 V512 F515 P670 M677V478-L491 HydrophobicContact CG2-CD1 4.14Å; I486-L491 HydrophobicContact CD1-CB 4.27Å; I486-L491 HydrophobicContact CD1-CD1 3.83Å; S487-L491 PolarHBondContact O-N 3.18Å; M488-L491 VanDerWaalsContact O-CB 3.32Å; M488-L491 WeakPolarHBondContact O-CB 3.49Å; M488-L491 PolarHBondContact O-N 3.02Å; M488-L491 HydrophobicContact SD-CD2 3.91Å; L491-D495 HydrophobicContact CD1-CB 4.09Å; L491-I497 HydrophobicContact CD1-CG2 3.66Å; L491-V512 HydrophobicContact CD1-CG2 4.02Å; L491-V512 HydrophobicContact CD2-CG2 4.16Å; L491-V512 HydrophobicContact CG-CG2 4.24Å; L491-F515 HydrophobicContact CB-CZ 4.5Å; L491-F515 HydrophobicContact CD2-CZ 4.42Å; L491-F515 HydrophobicContact CG-CZ 4.42Å; L491-F515 WeakPolarHBondContact O-CZ 3.44Å; L491-P670 HydrophobicContact CD2-CB 3.86Å; L491-P670 HydrophobicContact CD2-CG 4.08Å; L491-M677 HydrophobicContact CD2-CE 4.09Å
492K92Very high93Very high144 Ų14449.6 Ų49.663%0.62626%0.256SS*.  trans-122.9156.9-178-62.6-177.9-178.3-175.10112.7G494 D495K492-G494 PolarHBondContact O-N 2.83Å; K492-D495 PolarHBondContact N-OD2 3.1Å; K492-D495 VanDerWaalsContact O-CB 3.3Å; K492-D495 WeakPolarHBondContact O-CB 3.3Å; K492-D495 PolarHBondContact O-N 3.45Å; K492-D495 VanDerWaalsContact O-N 3.13Å
493I87.9Confident92.6Very high46 Ų4651.8 Ų51.824%0.23627%0.267CS..THydrogen-bonded Turntrans-61.4133.6169.4-57.6176.3000108.2F515 Y707 N728I493-F515 HydrophobicContact CD1-CD2 4.33Å; I493-F515 HydrophobicContact CG1-CD2 3.9Å; I493-F515 HydrophobicContact CG1-CE2 3.93Å; I493-Y707 HydrophobicContact CG2-CE2 4.22Å; I493-N728 HydrophobicContact CD1-CB 4.28Å; I493-N728 WeakPolarHBondContact CD1-ND2 3.4Å
494G88.7Confident92.3Very high33 Ų3354 Ų5434%0.3427%0.274SS..THydrogen-bonded Turntrans94.6-12.1-174.500000114.4K492 L511 V512K492-G494 PolarHBondContact O-N 2.83Å; G494-L511 WeakPolarHBondContact O-CD1 3.44Å; G494-V512 PolarHBondContact N-O 3.27Å
495D93.6Very high91.9Very high26 Ų2649.8 Ų49.814%0.13926%0.258CS..  trans-68.3141.2173.8-78.5-28000111.3K480 L491 K492 V512K480-D495 WeakPolarHBondContact CE-OD1 3.23Å; K480-D495 VanDerWaalsContact NZ-CG 3.25Å; K480-D495 IonicContact NZ-OD1 2.75Å; K480-D495 PolarHBondContact NZ-OD1 2.74Å; K480-D495 IonicContact NZ-OD2 3.34Å; K480-D495 PolarHBondContact NZ-OD2 3.01Å; L491-D495 HydrophobicContact CD1-CB 4.09Å; K492-D495 PolarHBondContact N-OD2 3.1Å; K492-D495 VanDerWaalsContact O-CB 3.3Å; K492-D495 WeakPolarHBondContact O-CB 3.3Å; K492-D495 PolarHBondContact O-N 3.45Å; K492-D495 VanDerWaalsContact O-N 3.13Å; D495-V512 HydrophobicContact CB-CG2 4.48Å; D495-V512 PolarHBondContact O-N 3.37Å
496Y96.1Very high91.6Very high124 Ų12451.3 Ų51.349%0.48626%0.263SS..EExtended strand (participates in β ladder)trans-96.2126168.5-72.1-92.6000109.5K480 S481 T510 L511K480-Y496 CarbonylContact C-O 3.54Å; K480-Y496 WeakPolarHBondContact CA-O 3.41Å; S481-Y496 PolarHBondContact N-O 2.81Å; S481-Y496 WeakPolarHBondContact OG-CB 3.4Å; Y496-T510 CarbonylContact C-O 3.55Å; Y496-T510 VanDerWaalsContact CA-O 3.32Å; Y496-T510 WeakPolarHBondContact CA-O 3.33Å; Y496-L511 HydrophobicContact CD1-CB 4.3Å; Y496-L511 HydrophobicContact CD1-CD1 4.44Å; Y496-L511 HydrophobicContact CD2-CD1 4.17Å; Y496-L511 HydrophobicContact CE1-CB 3.98Å; Y496-L511 HydrophobicContact CE1-CD1 4.12Å; Y496-L511 HydrophobicContact CE2-CD1 3.82Å; Y496-L511 HydrophobicContact CG-CD1 4.47Å
497I96.8Very high91.5Very high1 Ų152.4 Ų52.41%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-123.7155.4179.660.3173.6000111.4F479 L491 N509 T510 V512 T672 M677F479-I497 CarbonylContact O-C 3.51Å; F479-I497 VanDerWaalsContact O-CA 3.29Å; F479-I497 WeakPolarHBondContact O-CA 3.32Å; F479-I497 WeakPolarHBondContact O-CB 3.36Å; L491-I497 HydrophobicContact CD1-CG2 3.66Å; I497-N509 CarbonylContact O-C 3.56Å; I497-N509 WeakPolarHBondContact O-CA 3.41Å; I497-T510 HydrophobicContact CD1-CG2 4.42Å; I497-T510 HydrophobicContact CG1-CG2 3.73Å; I497-T510 PolarHBondContact N-O 3.07Å; I497-T510 PolarHBondContact O-N 2.86Å; I497-V512 HydrophobicContact CD1-CG2 3.95Å; I497-V512 HydrophobicContact CG1-CG2 4.15Å; I497-V512 HydrophobicContact CG2-CG2 4.39Å; I497-T672 HydrophobicContact CD1-CG2 3.79Å; I497-T672 HydrophobicContact CG1-CG2 4.31Å; I497-M677 HydrophobicContact CD1-CE 3.58Å; I497-M677 HydrophobicContact CD1-CG 3.68Å; I497-M677 HydrophobicContact CD1-SD 3.87Å
498I95.8Very high91.4Very high14 Ų1453.9 Ų53.97%0.07228%0.277CS..EExtended strand (participates in β ladder)trans-79.3132.1177.7-56.3179000108.8F479 I507 Y628 I678F479-I498 HydrophobicContact CB-CB 4.29Å; F479-I498 HydrophobicContact CB-CD1 4Å; F479-I498 HydrophobicContact CB-CG1 4.26Å; F479-I498 PolarHBondContact O-N 2.91Å; I498-I507 HydrophobicContact CG2-CG2 3.47Å; I498-I507 VanDerWaalsContact CG2-CG2 3.47Å; I498-Y628 HydrophobicContact CG2-CE1 4.28Å; I498-Y628 HydrophobicContact CG2-CE2 4.27Å; I498-I678 HydrophobicContact CG2-CD1 4.29Å
499T95.5Very high91.4Very high0 Ų058.6 Ų58.60%030%0.302CS..EExtended strand (participates in β ladder)trans-149.1-179.2174.2-167.60000110.4I507 T508 T510 T674 T676 M677T499-I507 CarbonylContact O-C 3.54Å; T499-I507 WeakPolarHBondContact O-CA 3.09Å; T499-T508 PolarHBondContact N-O 3.11Å; T499-T508 PolarHBondContact O-N 2.86Å; T499-T510 HydrophobicContact CG2-CG2 3.34Å; T499-T674 HydrophobicContact CG2-CG2 4.2Å; T499-T674 WeakPolarHBondContact CG2-OG1 3.32Å; T499-T676 PolarHBondContact OG1-O 2.81Å; T499-T676 PolarHBondContact OG1-OG1 3.47Å; T499-M677 WeakPolarHBondContact OG1-CA 3.42Å; T499-M677 PolarHBondContact OG1-N 3.3Å
500Q92.3Very high91.5Very high12 Ų1253.7 Ų53.76%0.05628%0.281CS..EExtended strand (participates in β ladder)trans-105.2129.6167.1-171.1-17736.500110.3G505 H506 I507 K611 L635 T676 L683Q500-G505 WeakPolarHBondContact CG-O 3.44Å; Q500-G505 PolarHBondContact NE2-O 3.07Å; Q500-H506 WeakPolarHBondContact CA-O 3.29Å; Q500-I507 HydrophobicContact CB-CD1 4.18Å; Q500-K611 VanDerWaalsContact OE1-CE 3.29Å; Q500-L635 VanDerWaalsContact OE1-CD2 3.23Å; Q500-T676 PolarHBondContact O-OG1 3.16Å; Q500-L683 HydrophobicContact CB-CD1 3.77Å; Q500-L683 HydrophobicContact CB-CD2 4.44Å
501N89.4Confident91.4Very high38 Ų3850.9 Ų50.920%0.20327%0.266CS..  trans-70.8124.4172.1172.6-15.1000109.6L503 N504 G505 H506 T508 T674N501-L503 PolarHBondContact O-N 3.46Å; N501-L503 WeakPolarHBondContact OD1-CB 3.43Å; N501-L503 PolarHBondContact OD1-N 3.13Å; N501-N504 WeakPolarHBondContact CB-OD1 3.5Å; N501-N504 PolarHBondContact O-OD1 3.38Å; N501-G505 WeakPolarHBondContact O-CA 3.39Å; N501-G505 PolarHBondContact O-N 3Å; N501-H506 PolarHBondContact N-O 3.48Å; N501-T508 HydrophobicContact CB-CG2 3.95Å; N501-T674 HydrophobicContact CB-CG2 4.4Å
502P85.1Confident91.3Very high48 Ų4850.7 Ų50.731%0.31227%0.265SS..THydrogen-bonded Turntrans-69-14.9-174.427.7-35.6000114.3T676P502-T676 HydrophobicContact CB-CG2 4.22Å; P502-T676 HydrophobicContact CG-CG2 4.22Å
503L81.9Confident91.1Very high157 Ų15744.1 Ų44.182%0.82224%0.237SC*.THydrogen-bonded Turntrans-87.1-39.8-178.2-62.9174.8000113.1N501N501-L503 PolarHBondContact O-N 3.46Å; N501-L503 WeakPolarHBondContact OD1-CB 3.43Å; N501-L503 PolarHBondContact OD1-N 3.13Å
504N84.4Confident91Very high73 Ų7342 Ų4239%0.3923%0.226SC..THydrogen-bonded Turntrans-111-8.4-175.466.15000113.3N501 H506N501-N504 WeakPolarHBondContact CB-OD1 3.5Å; N501-N504 PolarHBondContact O-OD1 3.38Å; N504-H506 PolarHBondContact O-N 3.33Å; N504-H506 VanDerWaalsContact O-N 3.15Å; N504-H506 PolarHBondContact OD1-N 2.82Å
505G86Confident90.8Very high16 Ų1641.1 Ų41.117%0.16521%0.213CC..  trans67.88.8-178.600000114.3Q500 N501Q500-G505 WeakPolarHBondContact CG-O 3.44Å; Q500-G505 PolarHBondContact NE2-O 3.07Å; N501-G505 WeakPolarHBondContact O-CA 3.39Å; N501-G505 PolarHBondContact O-N 3Å
506H90Very high90.2Very high123 Ų12340.1 Ų40.157%0.56921%0.207SC*.  trans-88.5148.3179-64.8-44.2000111.8Q500 N501 N504 T508Q500-H506 WeakPolarHBondContact CA-O 3.29Å; N501-H506 PolarHBondContact N-O 3.48Å; N504-H506 PolarHBondContact O-N 3.33Å; N504-H506 VanDerWaalsContact O-N 3.15Å; N504-H506 PolarHBondContact OD1-N 2.82Å; H506-T508 PolarHBondContact O-N 3.01Å
507I93.5Very high89.5Confident42 Ų4234.5 Ų34.522%0.21519%0.185CC..EExtended strand (participates in β ladder)trans-68.7126.9169.8-57.9-58.9000108.2I498 T499 Q500 Y628 L635 I678I498-I507 HydrophobicContact CG2-CG2 3.47Å; I498-I507 VanDerWaalsContact CG2-CG2 3.47Å; T499-I507 CarbonylContact O-C 3.54Å; T499-I507 WeakPolarHBondContact O-CA 3.09Å; Q500-I507 HydrophobicContact CB-CD1 4.18Å; I507-Y628 HydrophobicContact CD1-CD2 3.91Å; I507-Y628 HydrophobicContact CD1-CE2 4.15Å; I507-Y628 HydrophobicContact CG1-CD2 4.36Å; I507-Y628 HydrophobicContact CG1-CE2 4.15Å; I507-Y628 HydrophobicContact CG2-CE2 4.02Å; I507-L635 HydrophobicContact CD1-CB 4.5Å; I507-I678 HydrophobicContact CD1-CD1 4.42Å
508T94Very high88.9Confident38 Ų3837.4 Ų37.423%0.23320%0.197CC..EExtended strand (participates in β ladder)trans-141.2149.9-174.857.10000110.3T499 N501 H506T499-T508 PolarHBondContact N-O 3.11Å; T499-T508 PolarHBondContact O-N 2.86Å; N501-T508 HydrophobicContact CB-CG2 3.95Å; H506-T508 PolarHBondContact O-N 3.01Å
509N95.2Very high88.4Confident98 Ų9837 Ų3752%0.52420%0.195SC..EExtended strand (participates in β ladder)trans-78.3130.6168.3-65-30.1000109.5I497I497-N509 CarbonylContact O-C 3.56Å; I497-N509 WeakPolarHBondContact O-CA 3.41Å
510T94Very high88.1Confident5 Ų541.4 Ų41.43%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-123.2146.3178.4-161.20000110.9Y496 I497 T499 T672 T674Y496-T510 CarbonylContact C-O 3.55Å; Y496-T510 VanDerWaalsContact CA-O 3.32Å; Y496-T510 WeakPolarHBondContact CA-O 3.33Å; I497-T510 HydrophobicContact CD1-CG2 4.42Å; I497-T510 HydrophobicContact CG1-CG2 3.73Å; I497-T510 PolarHBondContact N-O 3.07Å; I497-T510 PolarHBondContact O-N 2.86Å; T499-T510 HydrophobicContact CG2-CG2 3.34Å; T510-T672 HydrophobicContact CG2-CG2 3.58Å; T510-T674 WeakPolarHBondContact OG1-CG2 3.38Å; T510-T674 PolarHBondContact OG1-N 2.78Å; T510-T674 PolarHBondContact OG1-OG1 2.9Å; T510-T674 VanDerWaalsContact OG1-OG1 3.04Å
511L92.4Very high87.9Confident27 Ų2742.1 Ų42.114%0.14122%0.219CC..EExtended strand (participates in β ladder)trans-84.5133.6177.7-178.262.9000110.4G494 Y496 I513 T672 D673 Y707 I711G494-L511 WeakPolarHBondContact O-CD1 3.44Å; Y496-L511 HydrophobicContact CD1-CB 4.3Å; Y496-L511 HydrophobicContact CD1-CD1 4.44Å; Y496-L511 HydrophobicContact CD2-CD1 4.17Å; Y496-L511 HydrophobicContact CE1-CB 3.98Å; Y496-L511 HydrophobicContact CE1-CD1 4.12Å; Y496-L511 HydrophobicContact CE2-CD1 3.82Å; Y496-L511 HydrophobicContact CG-CD1 4.47Å; L511-I513 HydrophobicContact CB-CG2 4.5Å; L511-I513 HydrophobicContact CD2-CG2 4.3Å; L511-I513 HydrophobicContact CG-CG2 4.22Å; L511-I513 PolarHBondContact O-N 3.38Å; L511-T672 VanDerWaalsContact O-CA 3.29Å; L511-T672 WeakPolarHBondContact O-CA 3.49Å; L511-D673 PolarHBondContact O-N 3.42Å; L511-D673 VanDerWaalsContact O-N 3.07Å; L511-Y707 HydrophobicContact CD2-CE1 3.79Å; L511-I711 HydrophobicContact CD2-CD1 4.18Å
512V92.3Very high87.8Confident0 Ų040.9 Ų40.90%021%0.214CC..EExtended strand (participates in β ladder)trans-77.2111.8166.2-179.50000108.8L491 G494 D495 I497 F515 I671 T672L491-V512 HydrophobicContact CD1-CG2 4.02Å; L491-V512 HydrophobicContact CD2-CG2 4.16Å; L491-V512 HydrophobicContact CG-CG2 4.24Å; G494-V512 PolarHBondContact N-O 3.27Å; D495-V512 HydrophobicContact CB-CG2 4.48Å; D495-V512 PolarHBondContact O-N 3.37Å; I497-V512 HydrophobicContact CD1-CG2 3.95Å; I497-V512 HydrophobicContact CG1-CG2 4.15Å; I497-V512 HydrophobicContact CG2-CG2 4.39Å; V512-F515 HydrophobicContact CG1-CE2 4.4Å; V512-I671 WeakPolarHBondContact CA-O 3.41Å; V512-T672 HydrophobicContact CG2-CG2 4.46Å
513I88.2Confident87.9Confident6 Ų639.3 Ų39.33%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-96.4-13.4-173.763.2170.4000113.1L511 I671 D673 K704 Y707L511-I513 HydrophobicContact CB-CG2 4.5Å; L511-I513 HydrophobicContact CD2-CG2 4.3Å; L511-I513 HydrophobicContact CG-CG2 4.22Å; L511-I513 PolarHBondContact O-N 3.38Å; I513-I671 HydrophobicContact CD1-CB 4.47Å; I513-I671 HydrophobicContact CD1-CG2 3.8Å; I513-I671 HydrophobicContact CG1-CB 3.98Å; I513-I671 HydrophobicContact CG1-CG2 3.83Å; I513-I671 WeakPolarHBondContact CG1-O 3.32Å; I513-I671 PolarHBondContact N-O 2.91Å; I513-D673 HydrophobicContact CG2-CB 4.47Å; I513-K704 HydrophobicContact CD1-CB 4.38Å; I513-K704 HydrophobicContact CD1-CD 4.48Å; I513-K704 HydrophobicContact CD1-CG 3.68Å; I513-Y707 HydrophobicContact CB-CD1 3.76Å; I513-Y707 HydrophobicContact CB-CE1 3.81Å; I513-Y707 HydrophobicContact CB-CG 4.11Å; I513-Y707 HydrophobicContact CG2-CD1 3.65Å; I513-Y707 HydrophobicContact CG2-CE1 3.55Å; I513-Y707 HydrophobicContact CG2-CG 4.47Å; I513-Y707 WeakPolarHBondContact O-CE2 3.31Å
514G84.9Confident88.1Confident0 Ų032.2 Ų32.20%017%0.165CC..EExtended strand (participates in β ladder)trans169.4-174.8-176.100000112.9I671G514-I671 PolarHBondContact O-N 3.45Å
515F85.9Confident88.3Confident16 Ų1629.2 Ų29.27%0.0715%0.15CC..EExtended strand (participates in β ladder)trans-127132.6172.6-72-98.6000108.6L491 I493 V512 Y518 Y668 A669 P670L491-F515 HydrophobicContact CB-CZ 4.5Å; L491-F515 HydrophobicContact CD2-CZ 4.42Å; L491-F515 HydrophobicContact CG-CZ 4.42Å; L491-F515 WeakPolarHBondContact O-CZ 3.44Å; I493-F515 HydrophobicContact CD1-CD2 4.33Å; I493-F515 HydrophobicContact CG1-CD2 3.9Å; I493-F515 HydrophobicContact CG1-CE2 3.93Å; V512-F515 HydrophobicContact CG1-CE2 4.4Å; F515-Y518 HydrophobicContact CD1-CD2 4.12Å; F515-Y518 HydrophobicContact CE1-CD2 4.25Å; F515-Y518 HydrophobicContact CG-CD2 4.33Å; F515-Y668 HydrophobicContact CE1-CD1 4.35Å; F515-A669 CarbonylContact C-O 3.52Å; F515-A669 WeakPolarHBondContact CA-O 3.4Å; F515-P670 HydrophobicContact CD1-CB 3.98Å; F515-P670 HydrophobicContact CE1-CB 3.72Å; F515-P670 HydrophobicContact CE1-CG 4.38Å; F515-P670 HydrophobicContact CZ-CB 4.24Å
516L81.4Confident88.5Confident4 Ų428.5 Ų28.52%0.02114%0.142CC..EExtended strand (participates in β ladder)trans-70.7-40168.7-69.6169.8000110.6F469 A669 I671 F687 I700 V732 I736F469-L516 HydrophobicContact CB-CB 4.19Å; F469-L516 HydrophobicContact CD1-CB 3.39Å; F469-L516 HydrophobicContact CD1-CD1 3.64Å; F469-L516 HydrophobicContact CD1-CD2 4.24Å; F469-L516 HydrophobicContact CD1-CG 3.89Å; F469-L516 HydrophobicContact CD2-CB 4.28Å; F469-L516 HydrophobicContact CE1-CB 3.85Å; F469-L516 HydrophobicContact CE1-CD1 4.08Å; F469-L516 HydrophobicContact CE1-CD2 3.95Å; F469-L516 HydrophobicContact CE1-CG 4.14Å; F469-L516 HydrophobicContact CG-CB 3.63Å; L516-A669 HydrophobicContact CB-CB 4.13Å; L516-A669 PolarHBondContact N-O 3.02Å; L516-I671 HydrophobicContact CB-CD1 4.43Å; L516-I671 HydrophobicContact CB-CG1 4.49Å; L516-I671 HydrophobicContact CD1-CD1 4.34Å; L516-I671 HydrophobicContact CD1-CG1 4.16Å; L516-I671 HydrophobicContact CD2-CD1 3.37Å; L516-I671 HydrophobicContact CD2-CG1 4.09Å; L516-I671 HydrophobicContact CG-CD1 3.42Å; L516-I671 VanDerWaalsContact CG-CD1 3.42Å; L516-I671 HydrophobicContact CG-CG1 3.55Å; L516-F687 HydrophobicContact CD1-CD1 4.49Å; L516-I700 HydrophobicContact CD1-CD1 4.18Å; L516-I700 HydrophobicContact CD2-CD1 4.01Å; L516-V732 WeakPolarHBondContact O-CG2 3.24Å; L516-I736 HydrophobicContact CD2-CD1 3.67Å; L516-I736 HydrophobicContact CD2-CG1 4.18Å
517D80.5Confident88.7Confident6 Ų623.1 Ų23.13%0.03212%0.117CC..EExtended strand (participates in β ladder)trans-142.8149.7172.5-164.817000110.5K96 F469 A669K96-D517 IonicContact NZ-OD1 2.77Å; F469-D517 HydrophobicContact CB-CB 3.89Å; F469-D517 HydrophobicContact CD2-CB 3.91Å; F469-D517 HydrophobicContact CG-CB 4.2Å; D517-A669 HydrophobicContact CB-CB 4.14Å; D517-A669 PolarHBondContact O-N 2.85Å
518Y84.7Confident88.7Confident63 Ų6321.3 Ų21.325%0.24711%0.108CC..EExtended strand (participates in β ladder)trans-153.4111-179.7-178.4-77.2000107.9F515 Y668F515-Y518 HydrophobicContact CD1-CD2 4.12Å; F515-Y518 HydrophobicContact CE1-CD2 4.25Å; F515-Y518 HydrophobicContact CG-CD2 4.33Å; Y518-Y668 AromaticContact CD2-CD1 3.53Å; Y518-Y668 HydrophobicContact CD2-CD1 3.53Å; Y518-Y668 AromaticContact CD2-CE1 3.71Å; Y518-Y668 HydrophobicContact CD2-CE1 3.71Å; Y518-Y668 HydrophobicContact CE1-CE1 4.41Å; Y518-Y668 AromaticContact CE2-CD1 3.53Å; Y518-Y668 HydrophobicContact CE2-CD1 3.53Å; Y518-Y668 AromaticContact CE2-CE1 3.25Å; Y518-Y668 HydrophobicContact CE2-CE1 3.25Å; Y518-Y668 HydrophobicContact CG-CD1 4.36Å; Y518-Y668 HydrophobicContact CG-CE1 4.46Å; Y518-Y668 AromaticContact CZ-CE1 3.63Å
519D85Confident88.8Confident6 Ų619.5 Ų19.53%0.03210%0.097CC..EExtended strand (participates in β ladder)trans-150.6104.6172.7-162-36.1000111.3K96 R99 H521 A522 G666 L667K96-D519 WeakPolarHBondContact CE-OD2 3.49Å; K96-D519 IonicContact NZ-OD2 2.71Å; K96-D519 PolarHBondContact NZ-OD2 3.43Å; R99-D519 IonicContact CZ-OD2 2.66Å; R99-D519 VanDerWaalsContact NH1-CG 3.27Å; R99-D519 IonicContact NH1-OD1 2.91Å; R99-D519 PolarHBondContact NH1-OD1 2.87Å; R99-D519 IonicContact NH1-OD2 3.88Å; R99-D519 PolarHBondContact NH1-OD2 2.64Å; R99-D519 IonicContact NH2-OD2 2.99Å; D519-H521 PolarHBondContact O-N 3.36Å; D519-H521 VanDerWaalsContact O-N 3.12Å; D519-H521 PolarHBondContact OD1-N 2.9Å; D519-A522 HydrophobicContact CB-CB 3.63Å; D519-A522 PolarHBondContact O-N 3.43Å; D519-A522 PolarHBondContact OD1-N 2.66Å; D519-G666 WeakPolarHBondContact O-CA 3.29Å; D519-L667 PolarHBondContact N-O 2.91Å; D519-L667 PolarHBondContact O-N 3.22Å
520Q88.6Confident88.9Confident92 Ų9216.5 Ų16.543%0.438%0.079SC..EExtended strand (participates in β ladder)trans-65-13.8-179.373.1-176.222.800114G666Q520-G666 VanDerWaalsContact O-CA 3.3Å; Q520-G666 WeakPolarHBondContact O-CA 3.37Å; Q520-G666 PolarHBondContact O-N 2.91Å
521H88Confident89Confident27 Ų2716.6 Ų16.613%0.1258%0.079CC..EExtended strand (participates in β ladder)trans-114.1-3.5-177.9-50.1109.7000113.3V77 R78 D519V77-H521 HydrophobicContact CG1-CB 3.5Å; R78-H521 PolarHBondContact N-O 3.09Å; R78-H521 WeakPolarHBondContact O-CB 3.33Å; D519-H521 PolarHBondContact O-N 3.36Å; D519-H521 VanDerWaalsContact O-N 3.12Å; D519-H521 PolarHBondContact OD1-N 2.9Å
522A87.3Confident88.9Confident12 Ų1220.4 Ų20.410%0.09910%0.096CC..EExtended strand (participates in β ladder)trans-71.3147.5177.600000110.6D519 I665 G666 L667D519-A522 HydrophobicContact CB-CB 3.63Å; D519-A522 PolarHBondContact O-N 3.43Å; D519-A522 PolarHBondContact OD1-N 2.66Å; A522-I665 CarbonylContact O-C 3.55Å; A522-I665 WeakPolarHBondContact O-CA 3.36Å; A522-G666 PolarHBondContact O-N 2.86Å; A522-L667 HydrophobicContact CB-CB 4.23Å; A522-L667 HydrophobicContact CB-CD1 3.91Å; A522-L667 HydrophobicContact CB-CG 4.2Å
523W87Confident88.8Confident14 Ų1422.7 Ų22.75%0.05311%0.108CC..EExtended strand (participates in β ladder)trans-122142.6176176.687000109.9P72 W93 P525 K647 K664 I665P72-W523 HydrophobicContact CB-CB 4.35Å; P72-W523 HydrophobicContact CB-CD2 3.48Å; P72-W523 VanDerWaalsContact CB-CD2 3.48Å; P72-W523 HydrophobicContact CB-CE3 3.62Å; P72-W523 HydrophobicContact CB-CG 3.81Å; P72-W523 HydrophobicContact CB-CZ2 4.47Å; P72-W523 HydrophobicContact CB-CZ3 4.17Å; P72-W523 HydrophobicContact CG-CD2 3.48Å; P72-W523 VanDerWaalsContact CG-CD2 3.48Å; P72-W523 HydrophobicContact CG-CE3 3.86Å; P72-W523 HydrophobicContact CG-CG 4.02Å; P72-W523 HydrophobicContact CG-CH2 3.97Å; P72-W523 HydrophobicContact CG-CZ2 3.64Å; P72-W523 HydrophobicContact CG-CZ3 4.09Å; P72-W523 VanDerWaalsContact O-CZ3 3.31Å; P72-W523 WeakPolarHBondContact O-CZ3 3.36Å; W93-W523 HydrophobicContact CH2-CB 3.85Å; W93-W523 HydrophobicContact CH2-CG 4.26Å; W93-W523 HydrophobicContact CZ3-CB 3.85Å; W523-P525 HydrophobicContact CH2-CB 4.18Å; W523-P525 HydrophobicContact CH2-CG 4.37Å; W523-P525 HydrophobicContact CZ2-CB 4.42Å; W523-K647 HydrophobicContact CZ2-CB 4.35Å; W523-K647 WeakPolarHBondContact CZ2-O 3.3Å; W523-K664 VanDerWaalsContact CD1-O 3.31Å; W523-I665 HydrophobicContact CB-CG2 4.43Å
524S87.2Confident88.3Confident9 Ų925.5 Ų25.56%0.06312%0.123CC..  trans-148.4147.1171.2-1750000108.8L526S524-L526 PolarHBondContact O-N 2.9Å
525P87.5Confident87.3Confident10 Ų1027.1 Ų27.17%0.06513%0.134CC..  trans-61.7138.1167.931-37.8000109.8K74 W523 L645 R646 K647K74-P525 VanDerWaalsContact CE-CD 3.48Å; K74-P525 VanDerWaalsContact CE-CG 3.49Å; W523-P525 HydrophobicContact CH2-CB 4.18Å; W523-P525 HydrophobicContact CH2-CG 4.37Å; W523-P525 HydrophobicContact CZ2-CB 4.42Å; P525-L645 HydrophobicContact CB-CD1 3.97Å; P525-L645 HydrophobicContact CB-CG 4.43Å; P525-R646 WeakPolarHBondContact CA-O 3.11Å; P525-K647 HydrophobicContact CB-CG 4.05Å
526L91.2Very high85.9Confident1 Ų131 Ų311%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-114.8137.1-178.3-65171.9000109.5S524 L591 T592 R646 F649S524-L526 PolarHBondContact O-N 2.9Å; L526-L591 CarbonylContact C-O 3.44Å; L526-L591 WeakPolarHBondContact CA-O 3.32Å; L526-T592 HydrophobicContact CD2-CG2 3.79Å; L526-R646 PolarHBondContact N-O 3.39Å; L526-R646 PolarHBondContact O-N 2.65Å; L526-F649 HydrophobicContact CB-CE2 4.46Å; L526-F649 HydrophobicContact CB-CZ 4.2Å; L526-F649 HydrophobicContact CD1-CE2 3.91Å; L526-F649 HydrophobicContact CD1-CZ 3.89Å
527I93.3Very high84.5Confident9 Ų934.1 Ų34.15%0.04617%0.172CC..EExtended strand (participates in β ladder)trans-81.3119.8167-60.1-178.4000107.5I529 Y590 L591 E593 A616 S617 V643 Q644 L645I527-I529 HydrophobicContact CG2-CD1 4.45Å; I527-I529 HydrophobicContact CG2-CG1 3.81Å; I527-Y590 WeakPolarHBondContact O-CA 3.48Å; I527-L591 PolarHBondContact N-O 3.5Å; I527-L591 PolarHBondContact O-N 3.31Å; I527-E593 HydrophobicContact CD1-CB 4.18Å; I527-E593 HydrophobicContact CD1-CG 3.97Å; I527-E593 HydrophobicContact CG1-CG 4.1Å; I527-A616 VanDerWaalsContact CD1-C 3.45Å; I527-A616 HydrophobicContact CD1-CB 4.03Å; I527-S617 VanDerWaalsContact CD1-N 3.3Å; I527-V643 HydrophobicContact CG2-CG1 3.52Å; I527-Q644 CarbonylContact C-O 3.49Å; I527-Q644 WeakPolarHBondContact CA-O 3.31Å; I527-L645 HydrophobicContact CG1-CD1 3.86Å
528E94.6Very high83.1Confident4 Ų435.8 Ų35.82%0.01918%0.18CC..EExtended strand (participates in β ladder)trans-86118.9166.1-178.1-169.4-149.400108.7K530 I589 Y590 V643 Q644 R646E528-K530 HydrophobicContact CG-CG 4.16Å; E528-K530 WeakPolarHBondContact OE1-CE 3.28Å; E528-I589 WeakPolarHBondContact CA-O 3.03Å; E528-Y590 HydrophobicContact CB-CD1 3.99Å; E528-Y590 HydrophobicContact CB-CE1 3.73Å; E528-Y590 HydrophobicContact CG-CD1 4.28Å; E528-Y590 HydrophobicContact CG-CE1 3.65Å; E528-Y590 PolarHBondContact OE1-OH 2.83Å; E528-V643 WeakPolarHBondContact O-CA 3.32Å; E528-Q644 PolarHBondContact N-O 3.44Å; E528-Q644 PolarHBondContact O-N 3.13Å; E528-R646 HydrophobicContact CB-CG 4.3Å; E528-R646 VanDerWaalsContact CD-CZ 3.46Å; E528-R646 VanDerWaalsContact CD-NE 3.34Å; E528-R646 IonicContact OE1-CZ 2.7Å; E528-R646 IonicContact OE1-NE 3.19Å; E528-R646 IonicContact OE1-NH2 3.44Å; E528-R646 PolarHBondContact OE1-NH2 3.03Å; E528-R646 IonicContact OE2-CZ 2.85Å; E528-R646 IonicContact OE2-NE 2.69Å; E528-R646 PolarHBondContact OE2-NE 3.45Å; E528-R646 IonicContact OE2-NH2 3.44Å; E528-R646 PolarHBondContact OE2-NH2 3.03Å
529I96.6Very high81.4Confident0 Ų038.1 Ų38.10%019%0.194CC..EExtended strand (participates in β ladder)trans-109.2107.9173.7-56173.7000107.2I527 S588 I589 I597 V619 I640 S642 V643I527-I529 HydrophobicContact CG2-CD1 4.45Å; I527-I529 HydrophobicContact CG2-CG1 3.81Å; I529-S588 WeakPolarHBondContact O-CA 3.24Å; I529-I589 HydrophobicContact CB-CG2 3.82Å; I529-I589 HydrophobicContact CD1-CG2 4.43Å; I529-I589 HydrophobicContact CG1-CG2 4.5Å; I529-I589 PolarHBondContact N-O 2.93Å; I529-I589 PolarHBondContact O-N 3.04Å; I529-I597 HydrophobicContact CD1-CD1 4.01Å; I529-V619 HydrophobicContact CD1-CB 4.4Å; I529-V619 HydrophobicContact CD1-CG1 4.32Å; I529-V619 HydrophobicContact CD1-CG2 4.35Å; I529-I640 HydrophobicContact CG2-CD1 4.37Å; I529-I640 HydrophobicContact CG2-CG1 3.96Å; I529-I640 HydrophobicContact CG2-CG2 3.85Å; I529-S642 WeakPolarHBondContact CA-O 3.33Å; I529-V643 HydrophobicContact CG1-CG1 4.49Å
530K96.4Very high79.8Confident35 Ų3542.9 Ų42.915%0.15222%0.216CC..EExtended strand (participates in β ladder)trans-89.2136.7174-60.8-169.1178.8-171.60110.5E528 E586 N587 I641 S642E528-K530 HydrophobicContact CG-CG 4.16Å; E528-K530 WeakPolarHBondContact OE1-CE 3.28Å; K530-E586 IonicContact NZ-OE1 3.54Å; K530-E586 IonicContact NZ-OE2 3.75Å; K530-E586 PolarHBondContact NZ-OE2 3.36Å; K530-N587 VanDerWaalsContact CA-O 3.3Å; K530-N587 WeakPolarHBondContact CA-O 3.37Å; K530-I641 PolarHBondContact O-N 2.99Å; K530-S642 PolarHBondContact N-O 2.98Å; K530-S642 PolarHBondContact O-N 2.93Å
531Y95.2Very high78.1Confident8 Ų842.3 Ų42.33%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-140.5156.8-177.162.9-93.4000112.2N587 I625 V627 A638 K639 D680 V682Y531-N587 HydrophobicContact CD1-CB 4.43Å; Y531-N587 HydrophobicContact CD2-CB 3.97Å; Y531-N587 HydrophobicContact CE1-CB 3.93Å; Y531-N587 HydrophobicContact CE2-CB 3.4Å; Y531-N587 VanDerWaalsContact CE2-CB 3.4Å; Y531-N587 HydrophobicContact CG-CB 4.45Å; Y531-N587 PolarHBondContact N-O 2.89Å; Y531-I625 HydrophobicContact CD1-CD1 3.84Å; Y531-I625 HydrophobicContact CG-CD1 3.85Å; Y531-V627 HydrophobicContact CD2-CG2 3.76Å; Y531-V627 HydrophobicContact CE2-CB 4.4Å; Y531-V627 HydrophobicContact CE2-CG1 3.97Å; Y531-V627 HydrophobicContact CE2-CG2 3.51Å; Y531-A638 HydrophobicContact CD2-CB 3.79Å; Y531-A638 HydrophobicContact CG-CB 4.39Å; Y531-K639 VanDerWaalsContact CA-O 3.27Å; Y531-K639 WeakPolarHBondContact CA-O 3.32Å; Y531-D680 PolarHBondContact OH-O 3.16Å; Y531-V682 HydrophobicContact CD1-CG2 4Å; Y531-V682 HydrophobicContact CE1-CG2 3.28Å
532Q91.9Very high76.5Confident107 Ų10745 Ų4550%0.523%0.226SC..EExtended strand (participates in β ladder)trans-125.8133174.4174.6176.3-0.800109.2A638 K639 I641Q532-A638 CarbonylContact O-C 3.52Å; Q532-A638 VanDerWaalsContact O-CA 3.27Å; Q532-A638 WeakPolarHBondContact O-CA 3.28Å; Q532-A638 WeakPolarHBondContact O-CB 3.4Å; Q532-K639 PolarHBondContact N-O 2.91Å; Q532-K639 PolarHBondContact O-N 3.13Å; Q532-I641 HydrophobicContact CB-CD1 3.36Å; Q532-I641 HydrophobicContact CB-CG1 4.04Å
533I88.9Confident75Confident48 Ų4849.5 Ų49.525%0.24625%0.245CC..EExtended strand (participates in β ladder)trans-66.1135.4177.6-66.3164.8000108.2S535 I538 V627 M636I533-S535 PolarHBondContact O-N 2.76Å; I533-S535 VanDerWaalsContact O-N 3.1Å; I533-I538 HydrophobicContact CG2-CD1 4.19Å; I533-V627 HydrophobicContact CG1-CG1 4.44Å; I533-M636 HydrophobicContact CB-CE 4.46Å; I533-M636 HydrophobicContact CD1-CE 3.83Å; I533-M636 HydrophobicContact CG1-CE 4.11Å; I533-M636 HydrophobicContact CG2-CE 3.53Å; I533-M636 HydrophobicContact CG2-SD 4.4Å
534N77.8Confident73.5Confident65 Ų6554 Ų5435%0.34827%0.267SS..  trans-77.498.7178.8-156.139.3000110.1D536 K637N534-D536 PolarHBondContact O-N 3.01Å; N534-D536 PolarHBondContact OD1-OD2 3.28Å; N534-K637 PolarHBondContact N-O 3.46Å
535S64.1Low72.1Confident34 Ų3460.2 Ų60.224%0.23829%0.292CS..THydrogen-bonded Turntrans-61.3-27.2-178.8-47.50000113.1I533 L537 I538 Q539I533-S535 PolarHBondContact O-N 2.76Å; I533-S535 VanDerWaalsContact O-N 3.1Å; S535-L537 PolarHBondContact O-N 2.99Å; S535-I538 WeakPolarHBondContact O-CB 3.05Å; S535-I538 PolarHBondContact O-N 3.28Å; S535-Q539 PolarHBondContact O-N 3.5Å
536D57.2Low70.5Confident98 Ų9864.9 Ų64.952%0.52431%0.313SS..Hα-helixtrans-54.9-26.9-178.2-52.9-17.9000113.9N534 Q540N534-D536 PolarHBondContact O-N 3.01Å; N534-D536 PolarHBondContact OD1-OD2 3.28Å; D536-Q540 WeakPolarHBondContact O-CG 3.1Å
537L51.6Low69Low68 Ų6870.4 Ų70.436%0.35634%0.339SS..Hα-helixtrans-87.3-19.6178.1-84.6159.9000113.9S535 Q541S535-L537 PolarHBondContact O-N 2.99Å; L537-Q541 PolarHBondContact O-N 2.82Å; L537-Q541 PolarHBondContact O-NE2 3.36Å
538I52.2Low67.2Low41 Ų4176.4 Ų76.421%0.2137%0.365CS..Hα-helixtrans-77.1-45.8178.7-62.2175.4000108.7I533 S535 Q540 Q541 Q542 M636I533-I538 HydrophobicContact CG2-CD1 4.19Å; S535-I538 WeakPolarHBondContact O-CB 3.05Å; S535-I538 PolarHBondContact O-N 3.28Å; I538-Q540 PolarHBondContact O-N 2.88Å; I538-Q541 PolarHBondContact O-N 2.88Å; I538-Q542 HydrophobicContact CG2-CG 4.36Å; I538-Q542 WeakPolarHBondContact O-CG 3.28Å; I538-Q542 PolarHBondContact O-N 3.38Å; I538-M636 HydrophobicContact CD1-SD 4.44Å
539Q48.8Very low65.2Low112 Ų11282.4 Ų82.452%0.52339%0.393SS..Hα-helixtrans-58.1-49.2176.6-69.2177.32.200111.4S535 Q541 Q542 E543S535-Q539 PolarHBondContact O-N 3.5Å; Q539-Q541 VanDerWaalsContact C-N 3.28Å; Q539-Q541 PolarHBondContact O-N 2.86Å; Q539-Q542 PolarHBondContact O-N 3.28Å; Q539-E543 WeakPolarHBondContact O-CB 3.28Å; Q539-E543 VanDerWaalsContact O-CG 3.28Å; Q539-E543 WeakPolarHBondContact O-CG 3.46Å; Q539-E543 PolarHBondContact O-N 2.81Å
540Q51.3Low63.1Low107 Ų10790.2 Ų90.250%0.543%0.429SS..Hα-helixtrans-61-31.9178.3-69.5177.93.900114.2D536 I538 Q544D536-Q540 WeakPolarHBondContact O-CG 3.1Å; I538-Q540 PolarHBondContact O-N 2.88Å; Q540-Q544 VanDerWaalsContact O-CG 3.24Å; Q540-Q544 WeakPolarHBondContact O-CG 3.41Å; Q540-Q544 PolarHBondContact O-N 3.31Å
541Q52Low61Low80 Ų8096 Ų9637%0.37446%0.457SS..Hα-helixtrans-82.4-32.1178.4-83.9169.17800112.6L537 I538 Q539 K545L537-Q541 PolarHBondContact O-N 2.82Å; L537-Q541 PolarHBondContact O-NE2 3.36Å; I538-Q541 PolarHBondContact O-N 2.88Å; Q539-Q541 VanDerWaalsContact C-N 3.28Å; Q539-Q541 PolarHBondContact O-N 2.86Å; Q541-K545 PolarHBondContact O-N 3.06Å; Q541-K545 VanDerWaalsContact O-N 3.1Å
542Q53.7Low58.6Low84 Ų84102.8 Ų102.839%0.39349%0.489SS..Hα-helixtrans-70.4-44173.2-76.2172.8-17.200110.8I538 Q539 Q544 K545 Q546I538-Q542 HydrophobicContact CG2-CG 4.36Å; I538-Q542 WeakPolarHBondContact O-CG 3.28Å; I538-Q542 PolarHBondContact O-N 3.38Å; Q539-Q542 PolarHBondContact O-N 3.28Å; Q542-Q544 VanDerWaalsContact C-N 3.32Å; Q542-Q544 PolarHBondContact O-N 2.91Å; Q542-K545 PolarHBondContact O-N 2.88Å; Q542-Q546 WeakPolarHBondContact O-CB 3.4Å; Q542-Q546 WeakPolarHBondContact O-CG 3.29Å; Q542-Q546 PolarHBondContact O-N 3.45Å
543E57.5Low56.2Low105 Ų105106.3 Ų106.349%0.49151%0.505SS..Hα-helixtrans-55.2-47.2172.3-73.2169.2-177.600110.6Q539 K545 Q546 E547Q539-E543 WeakPolarHBondContact O-CB 3.28Å; Q539-E543 VanDerWaalsContact O-CG 3.28Å; Q539-E543 WeakPolarHBondContact O-CG 3.46Å; Q539-E543 PolarHBondContact O-N 2.81Å; E543-K545 VanDerWaalsContact C-N 3.3Å; E543-K545 PolarHBondContact O-N 3.33Å; E543-Q546 PolarHBondContact O-N 2.99Å; E543-E547 WeakPolarHBondContact O-CB 3.43Å; E543-E547 VanDerWaalsContact O-CG 3.31Å; E543-E547 WeakPolarHBondContact O-CG 3.46Å; E543-E547 PolarHBondContact O-N 3.07Å
544Q55Low54.3Low110 Ų110109.9 Ų109.951%0.51453%0.532SS..Hα-helixtrans-67-25.5176.3-74.8177.22200114.7Q540 Q542 K548Q540-Q544 VanDerWaalsContact O-CG 3.24Å; Q540-Q544 WeakPolarHBondContact O-CG 3.41Å; Q540-Q544 PolarHBondContact O-N 3.31Å; Q542-Q544 VanDerWaalsContact C-N 3.32Å; Q542-Q544 PolarHBondContact O-N 2.91Å; Q544-K548 WeakPolarHBondContact O-CD 3.33Å; Q544-K548 VanDerWaalsContact O-CG 3.26Å; Q544-K548 WeakPolarHBondContact O-CG 3.3Å; Q544-K548 PolarHBondContact O-N 2.76Å
545K57.1Low52.8Low138 Ų138117.8 Ų117.860%0.656%0.557SS**Hα-helixtrans-79.7-43.8174.4-104.2-171.5173.8-1680111Q541 Q542 E543 E547 K548 E549Q541-K545 PolarHBondContact O-N 3.06Å; Q541-K545 VanDerWaalsContact O-N 3.1Å; Q542-K545 PolarHBondContact O-N 2.88Å; E543-K545 VanDerWaalsContact C-N 3.3Å; E543-K545 PolarHBondContact O-N 3.33Å; K545-E547 VanDerWaalsContact C-N 3.34Å; K545-K548 PolarHBondContact O-N 3.46Å; K545-K548 VanDerWaalsContact O-N 3.11Å; K545-E549 WeakPolarHBondContact O-CB 3.05Å; K545-E549 WeakPolarHBondContact O-CG 3.4Å; K545-E549 PolarHBondContact O-N 3.18Å
546Q54.2Low51.6Low108 Ų108125.3 Ų125.351%0.50559%0.585SS.*Hα-helixtrans-60.5-44.7174.2-75179.9-6.800110.5Q542 E543 K548 E549 E550Q542-Q546 WeakPolarHBondContact O-CB 3.4Å; Q542-Q546 WeakPolarHBondContact O-CG 3.29Å; Q542-Q546 PolarHBondContact O-N 3.45Å; E543-Q546 PolarHBondContact O-N 2.99Å; Q546-K548 PolarHBondContact O-N 2.91Å; Q546-E549 PolarHBondContact O-N 3.27Å; Q546-E550 WeakPolarHBondContact O-CB 3.18Å; Q546-E550 WeakPolarHBondContact O-CG 3.03Å; Q546-E550 PolarHBondContact O-N 2.92Å
547E59.3Low51.1Low117 Ų117127.9 Ų127.955%0.54759%0.594SS.*Hα-helixtrans-59.4-33.6174-77.2-179172.100112.8E543 K545 Q551E543-E547 WeakPolarHBondContact O-CB 3.43Å; E543-E547 VanDerWaalsContact O-CG 3.31Å; E543-E547 WeakPolarHBondContact O-CG 3.46Å; E543-E547 PolarHBondContact O-N 3.07Å; K545-E547 VanDerWaalsContact C-N 3.34Å; E547-Q551 VanDerWaalsContact O-CD 3.32Å; E547-Q551 WeakPolarHBondContact O-CG 3.36Å; E547-Q551 PolarHBondContact O-N 3.24Å; E547-Q551 PolarHBondContact O-NE2 2.94Å
548K55.1Low50.9Low135 Ų135132.1 Ų132.159%0.58761%0.612SS**Hα-helixtrans-79-34.1176.8-77.3176-177.41770113.3Q544 K545 Q546Q544-K548 WeakPolarHBondContact O-CD 3.33Å; Q544-K548 VanDerWaalsContact O-CG 3.26Å; Q544-K548 WeakPolarHBondContact O-CG 3.3Å; Q544-K548 PolarHBondContact O-N 2.76Å; K545-K548 PolarHBondContact O-N 3.46Å; K545-K548 VanDerWaalsContact O-N 3.11Å; Q546-K548 PolarHBondContact O-N 2.91Å
549E53.3Low50.9Low130 Ų130139.1 Ų139.161%0.60764%0.644SS**Hα-helixtrans-78.4-36.3179.1-73.7176.4-170.400111.6K545 Q546 Q551 Q552K545-E549 WeakPolarHBondContact O-CB 3.05Å; K545-E549 WeakPolarHBondContact O-CG 3.4Å; K545-E549 PolarHBondContact O-N 3.18Å; Q546-E549 PolarHBondContact O-N 3.27Å; E549-Q551 PolarHBondContact O-N 2.97Å; E549-Q552 CarbonylContact O-C 3.54Å; E549-Q552 PolarHBondContact O-N 3.36Å
550E53.5Low51Low165 Ų165139.2 Ų139.277%0.77164%0.644SS**Hα-helixtrans-63.4-29.8170.4-77.3-170157.600112.2Q546 Q552Q546-E550 WeakPolarHBondContact O-CB 3.18Å; Q546-E550 WeakPolarHBondContact O-CG 3.03Å; Q546-E550 PolarHBondContact O-N 2.92Å; E550-Q552 PolarHBondContact O-N 3.35Å
551Q51.7Low51Low155 Ų155139 Ų13972%0.72464%0.643SS**THydrogen-bonded Turntrans-74.3-10.5173.1-74173.636.200113.4E547 E549E547-Q551 VanDerWaalsContact O-CD 3.32Å; E547-Q551 WeakPolarHBondContact O-CG 3.36Å; E547-Q551 PolarHBondContact O-N 3.24Å; E547-Q551 PolarHBondContact O-NE2 2.94Å; E549-Q551 PolarHBondContact O-N 2.97Å
552Q44.9Very low51.1Low152 Ų152142.6 Ų142.671%0.7166%0.66SS**THydrogen-bonded Turntrans-134.558.3-174.9-64.7-174.721.900113.4E549 E550E549-Q552 CarbonylContact O-C 3.54Å; E549-Q552 PolarHBondContact O-N 3.36Å; E550-Q552 PolarHBondContact O-N 3.35Å
553Q40.8Very low51.1Low180 Ų180145.5 Ų145.584%0.84167%0.674SS**  trans-158.9130.1146.3-113154.372.200114.1
554P48.9Very low51Low124 Ų124146.7 Ų146.781%0.80567%0.674SS**  trans-86136.7-173.50.518.8000113.1K556P554-K556 PolarHBondContact O-N 3.38Å
555R46.6Very low51.2Low231 Ų231142.9 Ų142.987%0.87266%0.664SS**  trans-30.9117.6163.2-83.3176.2-86.5-171-8.4113.2
556K39.8Very low51.6Low192 Ų192142.5 Ų142.584%0.83566%0.664SS**  trans-176.1139.9135.1-98.7157.8-168.3-168.20111.2P554P554-K556 PolarHBondContact O-N 3.38Å
557Q44.7Very low52Low152 Ų152142.8 Ų142.871%0.7167%0.666SS**  trans91.797.3173.1-54.4-177-1.500114.3Q561Q557-Q561 WeakPolarHBondContact O-CG 3.42Å; Q557-Q561 PolarHBondContact O-NE2 3.31Å
558E49Very low52.3Low157 Ų157143.6 Ų143.673%0.73467%0.667SS**SBendtrans-97.74.6-167.8-90.6173.3166.600115
559E52.3Low52.8Low188 Ų188142.3 Ų142.388%0.87966%0.663SS**SBendtrans-112.5-15-178.5-69.3-179.9167.100114Q561E559-Q561 VanDerWaalsContact C-N 3.34Å
560E51.1Low53.6Low114 Ų114141.2 Ų141.253%0.53366%0.658SS.*SBendtrans-85-8.3164.3-71-174.9174.700112.8Q562 R564E560-Q562 VanDerWaalsContact C-N 3.35Å; E560-Q562 PolarHBondContact O-N 2.95Å; E560-R564 VanDerWaalsContact O-CB 3.29Å; E560-R564 WeakPolarHBondContact O-CB 3.42Å; E560-R564 PolarHBondContact O-N 3.44Å; E560-R564 VanDerWaalsContact O-N 3.14Å; E560-R564 IonicContact OE2-NH2 3.7Å; E560-R564 PolarHBondContact OE2-NH2 3.15Å
561Q51Low54Low102 Ų102138.3 Ų138.348%0.47765%0.645SS.*Hα-helixtrans-71.8-23.7-176.2-72.217914.900113.6Q557 E559 G565Q557-Q561 WeakPolarHBondContact O-CG 3.42Å; Q557-Q561 PolarHBondContact O-NE2 3.31Å; E559-Q561 VanDerWaalsContact C-N 3.34Å; Q561-G565 WeakPolarHBondContact O-CA 3.42Å; Q561-G565 PolarHBondContact O-N 2.96Å
562Q53.6Low54.4Low155 Ų155135.4 Ų135.472%0.72463%0.631SS**Hα-helixtrans-77.3-41.6178.8-74.3-178.84.500112.4E560 G565 Q566E560-Q562 VanDerWaalsContact C-N 3.35Å; E560-Q562 PolarHBondContact O-N 2.95Å; Q562-G565 PolarHBondContact O-N 3.46Å; Q562-Q566 WeakPolarHBondContact O-CG 3.41Å; Q562-Q566 PolarHBondContact O-N 3.13Å
563Q54.5Low55.5Low146 Ų146134.2 Ų134.268%0.68262%0.62SS**Hα-helixtrans-68.9-41.1173-80.1178.4-4.100111.3G565 Q566 E567Q563-G565 VanDerWaalsContact C-N 3.32Å; Q563-G565 PolarHBondContact O-N 3.21Å; Q563-Q566 PolarHBondContact O-N 3.01Å; Q563-E567 WeakPolarHBondContact O-CG 3.19Å; Q563-E567 PolarHBondContact O-N 3.48Å
564R53.8Low56.9Low130 Ų130130 Ų13049%0.49160%0.601SS.*Hα-helixtrans-68.5-31176.3-149.2-176.5-56-143.52.5112.6E560 K568E560-R564 VanDerWaalsContact O-CB 3.29Å; E560-R564 WeakPolarHBondContact O-CB 3.42Å; E560-R564 PolarHBondContact O-N 3.44Å; E560-R564 VanDerWaalsContact O-N 3.14Å; E560-R564 IonicContact OE2-NH2 3.7Å; E560-R564 PolarHBondContact OE2-NH2 3.15Å; R564-K568 VanDerWaalsContact O-CB 3.27Å; R564-K568 WeakPolarHBondContact O-CB 3.45Å; R564-K568 WeakPolarHBondContact O-CG 3.48Å; R564-K568 PolarHBondContact O-N 3.35Å
565G60.6Low57.4Low30 Ų30129.4 Ų129.431%0.30959%0.587SS.*Hα-helixtrans-69.4-41.617400000111.9Q561 Q562 Q563 K568 E569Q561-G565 WeakPolarHBondContact O-CA 3.42Å; Q561-G565 PolarHBondContact O-N 2.96Å; Q562-G565 PolarHBondContact O-N 3.46Å; Q563-G565 VanDerWaalsContact C-N 3.32Å; Q563-G565 PolarHBondContact O-N 3.21Å; G565-K568 PolarHBondContact O-N 3.13Å; G565-E569 WeakPolarHBondContact O-CB 3.36Å; G565-E569 PolarHBondContact O-N 3.11Å
566Q64.6Low58.3Low130 Ų130122.8 Ų122.861%0.60757%0.566SS**Hα-helixtrans-66.6-42.7173.3-72.7177.2-4.800112Q562 Q563 E569 Q570Q562-Q566 WeakPolarHBondContact O-CG 3.41Å; Q562-Q566 PolarHBondContact O-N 3.13Å; Q563-Q566 PolarHBondContact O-N 3.01Å; Q566-E569 PolarHBondContact O-N 3.35Å; Q566-Q570 WeakPolarHBondContact O-CB 3.24Å; Q566-Q570 PolarHBondContact O-N 2.98Å
567E63.8Low59.4Low114 Ų114119.3 Ų119.353%0.53355%0.553SS.*Hα-helixtrans-63.8-38.4173.7-75.8179.2172.400112.4Q563 Q570 Q571Q563-E567 WeakPolarHBondContact O-CG 3.19Å; Q563-E567 PolarHBondContact O-N 3.48Å; E567-Q570 PolarHBondContact O-N 2.76Å; E567-Q571 WeakPolarHBondContact O-CB 3.23Å; E567-Q571 VanDerWaalsContact O-CG 3.24Å; E567-Q571 WeakPolarHBondContact O-CG 3.47Å; E567-Q571 PolarHBondContact O-N 2.85Å
568K63.7Low59.9Low134 Ų134116.8 Ų116.858%0.58354%0.541SS*.Hα-helixtrans-69-44.7175.5-80.2179.8177.3-1680112.5R564 G565 Q570 Q571 Q572R564-K568 VanDerWaalsContact O-CB 3.27Å; R564-K568 WeakPolarHBondContact O-CB 3.45Å; R564-K568 WeakPolarHBondContact O-CG 3.48Å; R564-K568 PolarHBondContact O-N 3.35Å; G565-K568 PolarHBondContact O-N 3.13Å; K568-Q570 VanDerWaalsContact C-N 3.26Å; K568-Q570 PolarHBondContact O-N 2.86Å; K568-Q571 PolarHBondContact O-N 2.88Å; K568-Q572 WeakPolarHBondContact O-CB 3.47Å; K568-Q572 PolarHBondContact O-N 3.17Å
569E66.5Low60.2Low107 Ų107112.5 Ų112.550%0.552%0.521SS..Hα-helixtrans-63.5-35.3173.5-82.3-170.5177.500111.5G565 Q566 R573G565-E569 WeakPolarHBondContact O-CB 3.36Å; G565-E569 PolarHBondContact O-N 3.11Å; Q566-E569 PolarHBondContact O-N 3.35Å; E569-R573 VanDerWaalsContact O-CB 3.32Å; E569-R573 WeakPolarHBondContact O-CB 3.47Å; E569-R573 WeakPolarHBondContact O-CG 3.35Å; E569-R573 PolarHBondContact O-N 3.29Å; E569-R573 IonicContact OE2-CZ 3.13Å; E569-R573 IonicContact OE2-NH1 3.5Å; E569-R573 IonicContact OE2-NH2 2.76Å; E569-R573 PolarHBondContact OE2-NH2 3.17Å
570Q70.2Confident60.2Low108 Ų108108.9 Ų108.951%0.50550%0.504SS..Hα-helixtrans-69.6-45.6175.8-173.1174.6-14.600110.9Q566 E567 K568 Q572 R573 E574Q566-Q570 WeakPolarHBondContact O-CB 3.24Å; Q566-Q570 PolarHBondContact O-N 2.98Å; E567-Q570 PolarHBondContact O-N 2.76Å; K568-Q570 VanDerWaalsContact C-N 3.26Å; K568-Q570 PolarHBondContact O-N 2.86Å; Q570-Q572 VanDerWaalsContact C-N 3.27Å; Q570-Q572 PolarHBondContact O-N 3.37Å; Q570-R573 PolarHBondContact O-N 3.21Å; Q570-E574 HydrophobicContact CG-CG 4.46Å; Q570-E574 WeakPolarHBondContact CG-OE1 3.11Å; Q570-E574 PolarHBondContact NE2-OE1 2.95Å; Q570-E574 WeakPolarHBondContact O-CB 3.36Å; Q570-E574 VanDerWaalsContact O-CG 3.26Å; Q570-E574 WeakPolarHBondContact O-CG 3.13Å; Q570-E574 PolarHBondContact O-N 3.43Å
571Q61.2Low60.1Low104 Ų104109.8 Ų109.849%0.48651%0.508SS..Hα-helixtrans-62.3-34.7173.1-75.7172.429.300112.3E567 K568 Q575E567-Q571 WeakPolarHBondContact O-CB 3.23Å; E567-Q571 VanDerWaalsContact O-CG 3.24Å; E567-Q571 WeakPolarHBondContact O-CG 3.47Å; E567-Q571 PolarHBondContact O-N 2.85Å; K568-Q571 PolarHBondContact O-N 2.88Å; Q571-Q575 VanDerWaalsContact O-CB 3.31Å; Q571-Q575 WeakPolarHBondContact O-CB 3.33Å; Q571-Q575 WeakPolarHBondContact O-CG 3.06Å; Q571-Q575 PolarHBondContact O-N 2.95Å
572Q61.6Low60Low94 Ų94109.2 Ų109.244%0.43951%0.505SS..Hα-helixtrans-72.4-42.5176.7-173.8170.4-4.900111.2K568 Q570 Q575 E576K568-Q572 WeakPolarHBondContact O-CB 3.47Å; K568-Q572 PolarHBondContact O-N 3.17Å; Q570-Q572 VanDerWaalsContact C-N 3.27Å; Q570-Q572 PolarHBondContact O-N 3.37Å; Q572-Q575 PolarHBondContact O-N 2.85Å; Q572-E576 HydrophobicContact CG-CG 4.48Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.27Å; Q572-E576 PolarHBondContact NE2-OE1 3.16Å; Q572-E576 VanDerWaalsContact NE2-OE1 3.15Å; Q572-E576 WeakPolarHBondContact O-CB 3.19Å; Q572-E576 VanDerWaalsContact O-CG 3.28Å; Q572-E576 WeakPolarHBondContact O-CG 3.24Å; Q572-E576 PolarHBondContact O-N 2.76Å
573R67.1Low59.7Low127 Ų127107.1 Ų107.148%0.47950%0.496SS..Hα-helixtrans-61.9-43.2171-84.5-175.4-80-117.1-7.1112E569 Q570 Q575 E576 E577E569-R573 VanDerWaalsContact O-CB 3.32Å; E569-R573 WeakPolarHBondContact O-CB 3.47Å; E569-R573 WeakPolarHBondContact O-CG 3.35Å; E569-R573 PolarHBondContact O-N 3.29Å; E569-R573 IonicContact OE2-CZ 3.13Å; E569-R573 IonicContact OE2-NH1 3.5Å; E569-R573 IonicContact OE2-NH2 2.76Å; E569-R573 PolarHBondContact OE2-NH2 3.17Å; Q570-R573 PolarHBondContact O-N 3.21Å; R573-Q575 VanDerWaalsContact C-N 3.33Å; R573-Q575 PolarHBondContact O-N 3.49Å; R573-E576 PolarHBondContact O-N 2.81Å; R573-E577 VanDerWaalsContact O-CB 3.28Å; R573-E577 WeakPolarHBondContact O-CB 3.4Å; R573-E577 VanDerWaalsContact O-CG 3.29Å; R573-E577 WeakPolarHBondContact O-CG 3.32Å; R573-E577 PolarHBondContact O-N 2.92Å
574E71.3Confident59.2Low92 Ų92107.8 Ų107.843%0.4350%0.499SS..Hα-helixtrans-63.9-38175.6-73.9171.3-169.600111.3Q570 E578Q570-E574 HydrophobicContact CG-CG 4.46Å; Q570-E574 WeakPolarHBondContact CG-OE1 3.11Å; Q570-E574 PolarHBondContact NE2-OE1 2.95Å; Q570-E574 WeakPolarHBondContact O-CB 3.36Å; Q570-E574 VanDerWaalsContact O-CG 3.26Å; Q570-E574 WeakPolarHBondContact O-CG 3.13Å; Q570-E574 PolarHBondContact O-N 3.43Å; E574-E578 WeakPolarHBondContact O-CB 3.49Å; E574-E578 WeakPolarHBondContact O-CG 3.24Å; E574-E578 PolarHBondContact O-N 3.47Å
575Q58.8Low59.1Low110 Ų110107.2 Ų107.251%0.51450%0.501SS..Hα-helixtrans-69.2-42.3173.4-77.7171.729.300112.6Q571 Q572 R573 E578 E579Q571-Q575 VanDerWaalsContact O-CB 3.31Å; Q571-Q575 WeakPolarHBondContact O-CB 3.33Å; Q571-Q575 WeakPolarHBondContact O-CG 3.06Å; Q571-Q575 PolarHBondContact O-N 2.95Å; Q572-Q575 PolarHBondContact O-N 2.85Å; R573-Q575 VanDerWaalsContact C-N 3.33Å; R573-Q575 PolarHBondContact O-N 3.49Å; Q575-E578 PolarHBondContact O-N 3.04Å; Q575-E579 VanDerWaalsContact O-CB 3.23Å; Q575-E579 WeakPolarHBondContact O-CB 3.36Å; Q575-E579 WeakPolarHBondContact O-CG 3.29Å; Q575-E579 PolarHBondContact O-N 2.89Å
576E64.4Low59.5Low92 Ų92112.6 Ų112.643%0.4352%0.519SS..Hα-helixtrans-65.5-42176.4-75.5171.8-168.500110.7Q572 R573 E579 E580Q572-E576 HydrophobicContact CG-CG 4.48Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.27Å; Q572-E576 PolarHBondContact NE2-OE1 3.16Å; Q572-E576 VanDerWaalsContact NE2-OE1 3.15Å; Q572-E576 WeakPolarHBondContact O-CB 3.19Å; Q572-E576 VanDerWaalsContact O-CG 3.28Å; Q572-E576 WeakPolarHBondContact O-CG 3.24Å; Q572-E576 PolarHBondContact O-N 2.76Å; R573-E576 PolarHBondContact O-N 2.81Å; E576-E579 CarbonylContact O-C 3.58Å; E576-E579 PolarHBondContact O-N 2.74Å; E576-E580 WeakPolarHBondContact O-CB 3.5Å; E576-E580 WeakPolarHBondContact O-CG 3.5Å; E576-E580 PolarHBondContact O-N 2.86Å
577E62.6Low60.7Low120 Ų120108.8 Ų108.856%0.56150%0.503SS*.Hα-helixtrans-65.1-44.6173.8-75.6178.5-174.800111.5R573 E579 E580 E581R573-E577 VanDerWaalsContact O-CB 3.28Å; R573-E577 WeakPolarHBondContact O-CB 3.4Å; R573-E577 VanDerWaalsContact O-CG 3.29Å; R573-E577 WeakPolarHBondContact O-CG 3.32Å; R573-E577 PolarHBondContact O-N 2.92Å; E577-E579 VanDerWaalsContact C-N 3.32Å; E577-E579 PolarHBondContact O-N 3.13Å; E577-E580 PolarHBondContact O-N 2.85Å; E577-E581 WeakPolarHBondContact O-CB 3.29Å; E577-E581 VanDerWaalsContact O-CG 3.32Å; E577-E581 WeakPolarHBondContact O-CG 3.45Å; E577-E581 PolarHBondContact O-N 2.85Å
578E56Low62.2Low98 Ų98104.8 Ų104.846%0.45849%0.487SS..Hα-helixtrans-62.9-37.4173.1-82.2-169.7-171.300112.4E574 Q575 Q582 K631E574-E578 WeakPolarHBondContact O-CB 3.49Å; E574-E578 WeakPolarHBondContact O-CG 3.24Å; E574-E578 PolarHBondContact O-N 3.47Å; Q575-E578 PolarHBondContact O-N 3.04Å; E578-Q582 WeakPolarHBondContact O-CB 3.42Å; E578-Q582 VanDerWaalsContact O-CG 3.31Å; E578-Q582 WeakPolarHBondContact O-CG 3.45Å; E578-Q582 PolarHBondContact O-N 2.9Å; E578-K631 IonicContact OE2-NZ 2.85Å
579E55.7Low63.7Low67 Ų6798.4 Ų98.431%0.31346%0.459SS..Hα-helixtrans-70.6-39.2176.1-78.3-175.3-175.100111.3Q575 E576 E577 Q582 Q583Q575-E579 VanDerWaalsContact O-CB 3.23Å; Q575-E579 WeakPolarHBondContact O-CB 3.36Å; Q575-E579 WeakPolarHBondContact O-CG 3.29Å; Q575-E579 PolarHBondContact O-N 2.89Å; E576-E579 CarbonylContact O-C 3.58Å; E576-E579 PolarHBondContact O-N 2.74Å; E577-E579 VanDerWaalsContact C-N 3.32Å; E577-E579 PolarHBondContact O-N 3.13Å; E579-Q582 CarbonylContact O-C 3.55Å; E579-Q582 PolarHBondContact O-N 3.22Å; E579-Q583 VanDerWaalsContact O-CB 3.3Å; E579-Q583 WeakPolarHBondContact O-CB 3.38Å; E579-Q583 WeakPolarHBondContact O-CG 3.48Å; E579-Q583 PolarHBondContact O-N 3.46Å; E579-Q583 PolarHBondContact O-NE2 3.23Å
580E52.2Low65Low113 Ų11395 Ų9553%0.52844%0.442SS..Hα-helixtrans-66.7-41.7173-77.9-171.1-179.700111.5E576 E577 Q582 Q583 Q584E576-E580 WeakPolarHBondContact O-CB 3.5Å; E576-E580 WeakPolarHBondContact O-CG 3.5Å; E576-E580 PolarHBondContact O-N 2.86Å; E577-E580 PolarHBondContact O-N 2.85Å; E580-Q582 VanDerWaalsContact C-N 3.3Å; E580-Q582 PolarHBondContact O-N 2.82Å; E580-Q583 PolarHBondContact O-N 3.17Å; E580-Q583 VanDerWaalsContact O-N 3.16Å; E580-Q584 WeakPolarHBondContact O-CG 3.32Å; E580-Q584 PolarHBondContact O-N 2.91Å
581E49Very low66.2Low132 Ų13289.8 Ų89.862%0.61742%0.418SS*.Hα-helixtrans-62-36.8173.1-78.1-170.4170.700111.6E577 Q585E577-E581 WeakPolarHBondContact O-CB 3.29Å; E577-E581 VanDerWaalsContact O-CG 3.32Å; E577-E581 WeakPolarHBondContact O-CG 3.45Å; E577-E581 PolarHBondContact O-N 2.85Å; E581-Q585 WeakPolarHBondContact O-CG 3.32Å
582Q48.1Very low67.6Low91 Ų9185 Ų8543%0.42540%0.396SS..Hα-helixtrans-77.4-27.9172.7-73.8179.128.500113.3E578 E579 E580 Q584 Q585E578-Q582 WeakPolarHBondContact O-CB 3.42Å; E578-Q582 VanDerWaalsContact O-CG 3.31Å; E578-Q582 WeakPolarHBondContact O-CG 3.45Å; E578-Q582 PolarHBondContact O-N 2.9Å; E579-Q582 CarbonylContact O-C 3.55Å; E579-Q582 PolarHBondContact O-N 3.22Å; E580-Q582 VanDerWaalsContact C-N 3.3Å; E580-Q582 PolarHBondContact O-N 2.82Å; Q582-Q584 VanDerWaalsContact C-N 3.34Å; Q582-Q585 WeakPolarHBondContact O-CB 3.31Å; Q582-Q585 PolarHBondContact O-N 2.81Å
583Q47.1Very low69Low111 Ų11181 Ų8152%0.51938%0.377SS..Hα-helixtrans-71.1-30.1174.6-79.117254.600112.1E579 E580 Q585E579-Q583 VanDerWaalsContact O-CB 3.3Å; E579-Q583 WeakPolarHBondContact O-CB 3.38Å; E579-Q583 WeakPolarHBondContact O-CG 3.48Å; E579-Q583 PolarHBondContact O-N 3.46Å; E579-Q583 PolarHBondContact O-NE2 3.23Å; E580-Q583 PolarHBondContact O-N 3.17Å; E580-Q583 VanDerWaalsContact O-N 3.16Å; Q583-Q585 VanDerWaalsContact C-N 3.29Å
584Q44.9Very low70Confident159 Ų15975.6 Ų75.674%0.74336%0.358SS*.SBendtrans-76.7-15.1172-68.6-179.134.600113.1E580 Q582 E586E580-Q584 WeakPolarHBondContact O-CG 3.32Å; E580-Q584 PolarHBondContact O-N 2.91Å; Q582-Q584 VanDerWaalsContact C-N 3.34Å; Q584-E586 PolarHBondContact O-N 3.24Å; Q584-E586 VanDerWaalsContact O-N 3.1Å
585Q52.7Low71.1Confident118 Ų11871.3 Ų71.355%0.55134%0.337SS*.SBendtrans-75.1101.8172.9-71.6176.719.400109.7E581 Q582 Q583 N587E581-Q585 WeakPolarHBondContact O-CG 3.32Å; Q582-Q585 WeakPolarHBondContact O-CB 3.31Å; Q582-Q585 PolarHBondContact O-N 2.81Å; Q583-Q585 VanDerWaalsContact C-N 3.29Å; Q585-N587 PolarHBondContact O-N 2.97Å; Q585-N587 PolarHBondContact O-ND2 2.83Å
586E67.3Low72.8Confident144 Ų14466 Ų6667%0.67331%0.313SS*.  trans-56.9103.5168.6-71.3-170.8141.600110.1K530 Q584K530-E586 IonicContact NZ-OE1 3.54Å; K530-E586 IonicContact NZ-OE2 3.75Å; K530-E586 PolarHBondContact NZ-OE2 3.36Å; Q584-E586 PolarHBondContact O-N 3.24Å; Q584-E586 VanDerWaalsContact O-N 3.1Å
587N91Very high74.2Confident50 Ų5061.7 Ų61.727%0.26729%0.292SS..EExtended strand (participates in β ladder)trans-80.4131.8178.7-66.5-53000110.5K530 Y531 Q585K530-N587 VanDerWaalsContact CA-O 3.3Å; K530-N587 WeakPolarHBondContact CA-O 3.37Å; Y531-N587 HydrophobicContact CD1-CB 4.43Å; Y531-N587 HydrophobicContact CD2-CB 3.97Å; Y531-N587 HydrophobicContact CE1-CB 3.93Å; Y531-N587 HydrophobicContact CE2-CB 3.4Å; Y531-N587 VanDerWaalsContact CE2-CB 3.4Å; Y531-N587 HydrophobicContact CG-CB 4.45Å; Y531-N587 PolarHBondContact N-O 2.89Å; Q585-N587 PolarHBondContact O-N 2.97Å; Q585-N587 PolarHBondContact O-ND2 2.83Å
588S94.5Very high75.7Confident29 Ų2956.7 Ų56.720%0.20327%0.269CS..EExtended strand (participates in β ladder)trans-137.4139.3-17767.80000111.5I529 Y590I529-S588 WeakPolarHBondContact O-CA 3.24Å; S588-Y590 VanDerWaalsContact OG-CE2 3.28Å; S588-Y590 WeakPolarHBondContact OG-CE2 3.34Å; S588-Y590 PolarHBondContact OG-OH 2.9Å
589I95.3Very high77.6Confident0 Ų052.6 Ų52.60%025%0.25CC..EExtended strand (participates in β ladder)trans-109.5143164.7-175.9171.8000110.1E528 I529 L591 V679 D680 V682 V684E528-I589 WeakPolarHBondContact CA-O 3.03Å; I529-I589 HydrophobicContact CB-CG2 3.82Å; I529-I589 HydrophobicContact CD1-CG2 4.43Å; I529-I589 HydrophobicContact CG1-CG2 4.5Å; I529-I589 PolarHBondContact N-O 2.93Å; I529-I589 PolarHBondContact O-N 3.04Å; I589-L591 HydrophobicContact CD1-CD1 4.09Å; I589-L591 HydrophobicContact CD1-CD2 3.81Å; I589-L591 HydrophobicContact CD1-CG 3.93Å; I589-L591 HydrophobicContact CG1-CD2 4.11Å; I589-L591 HydrophobicContact CG1-CG 3.98Å; I589-V679 HydrophobicContact CD1-CB 4.27Å; I589-V679 HydrophobicContact CD1-CG1 4.49Å; I589-V679 WeakPolarHBondContact CD1-O 3.29Å; I589-D680 HydrophobicContact CB-CB 4.2Å; I589-D680 HydrophobicContact CG1-CB 4.21Å; I589-V682 HydrophobicContact CB-CB 4.47Å; I589-V682 HydrophobicContact CB-CG2 4.04Å; I589-V682 HydrophobicContact CD1-CB 3.85Å; I589-V682 HydrophobicContact CD1-CG1 4.32Å; I589-V682 HydrophobicContact CD1-CG2 4.36Å; I589-V682 HydrophobicContact CG2-CB 4.46Å; I589-V682 HydrophobicContact CG2-CG2 4.01Å; I589-V684 HydrophobicContact CD1-CG1 3.69Å
590Y94.3Very high79.3Confident35 Ų3552.4 Ų52.414%0.13725%0.247CC..EExtended strand (participates in β ladder)trans-111.2115.3176.4-60.7-86.4000111.1I527 E528 S588 F649I527-Y590 WeakPolarHBondContact O-CA 3.48Å; E528-Y590 HydrophobicContact CB-CD1 3.99Å; E528-Y590 HydrophobicContact CB-CE1 3.73Å; E528-Y590 HydrophobicContact CG-CD1 4.28Å; E528-Y590 HydrophobicContact CG-CE1 3.65Å; E528-Y590 PolarHBondContact OE1-OH 2.83Å; S588-Y590 VanDerWaalsContact OG-CE2 3.28Å; S588-Y590 WeakPolarHBondContact OG-CE2 3.34Å; S588-Y590 PolarHBondContact OG-OH 2.9Å; Y590-F649 AromaticContact CD1-CE1 3.89Å; Y590-F649 HydrophobicContact CD1-CE1 3.89Å; Y590-F649 AromaticContact CD1-CZ 3.86Å; Y590-F649 HydrophobicContact CD1-CZ 3.86Å; Y590-F649 AromaticContact CE1-CE1 3.6Å; Y590-F649 HydrophobicContact CE1-CE1 3.6Å; Y590-F649 HydrophobicContact CE1-CZ 4.06Å
591L94.4Very high81Confident0 Ų048.6 Ų48.60%023%0.23CC..EExtended strand (participates in β ladder)trans-127.3148.8-179.3-64.4179.3000111.2F472 L526 I527 I589 H595 I597 A616 V684F472-L591 HydrophobicContact CD1-CD2 3.52Å; F472-L591 HydrophobicContact CE1-CD2 3.49Å; F472-L591 VanDerWaalsContact CE1-CD2 3.49Å; L526-L591 CarbonylContact C-O 3.44Å; L526-L591 WeakPolarHBondContact CA-O 3.32Å; I527-L591 PolarHBondContact N-O 3.5Å; I527-L591 PolarHBondContact O-N 3.31Å; I589-L591 HydrophobicContact CD1-CD1 4.09Å; I589-L591 HydrophobicContact CD1-CD2 3.81Å; I589-L591 HydrophobicContact CD1-CG 3.93Å; I589-L591 HydrophobicContact CG1-CD2 4.11Å; I589-L591 HydrophobicContact CG1-CG 3.98Å; L591-H595 HydrophobicContact CB-CB 4.18Å; L591-H595 HydrophobicContact CD2-CB 4.5Å; L591-I597 HydrophobicContact CD1-CB 4.07Å; L591-I597 HydrophobicContact CD1-CD1 4.31Å; L591-A616 HydrophobicContact CB-CB 3.92Å; L591-A616 HydrophobicContact CD1-CB 4.23Å; L591-V684 HydrophobicContact CD1-CG1 4.18Å; L591-V684 HydrophobicContact CD2-CG1 4.49Å
592T92.3Very high82.5Confident3 Ų347 Ų472%0.01823%0.226CC..  trans-66.3153.4162.843.20000110.6G470 C471 L526 D594 H595 A616 L667G470-T592 WeakPolarHBondContact CA-OG1 3.49Å; C471-T592 HydrophobicContact CB-CG2 4.32Å; C471-T592 PolarHBondContact N-OG1 3.13Å; C471-T592 WeakPolarHBondContact O-CG2 3.45Å; C471-T592 PolarHBondContact O-N 3.42Å; C471-T592 PolarHBondContact O-OG1 2.96Å; L526-T592 HydrophobicContact CD2-CG2 3.79Å; T592-D594 WeakPolarHBondContact CB-OD1 3.4Å; T592-D594 PolarHBondContact O-N 2.82Å; T592-D594 VanDerWaalsContact O-N 3.16Å; T592-D594 PolarHBondContact OG1-OD1 3.34Å; T592-H595 VanDerWaalsContact O-CB 3.29Å; T592-H595 WeakPolarHBondContact O-CB 3.49Å; T592-H595 PolarHBondContact O-N 2.89Å; T592-H595 VanDerWaalsContact O-N 3.1Å; T592-A616 WeakPolarHBondContact O-CB 3.47Å; T592-L667 HydrophobicContact CG2-CD2 4.43Å
593E90.8Very high83.9Confident9 Ų947.1 Ų47.14%0.04224%0.237CC..THydrogen-bonded Turntrans-58.5-31.4-170.5-60.5174.8144.800114.7K74 I527 A616 S617 L645 Y753K74-E593 IonicContact NZ-OE2 3.68Å; K74-E593 PolarHBondContact NZ-OE2 3.13Å; I527-E593 HydrophobicContact CD1-CB 4.18Å; I527-E593 HydrophobicContact CD1-CG 3.97Å; I527-E593 HydrophobicContact CG1-CG 4.1Å; E593-A616 PolarHBondContact O-N 3.22Å; E593-S617 WeakPolarHBondContact O-CB 3.49Å; E593-S617 PolarHBondContact O-N 2.7Å; E593-S617 PolarHBondContact O-OG 3.29Å; E593-L645 HydrophobicContact CG-CD1 4.09Å; E593-L645 WeakPolarHBondContact OE1-CD1 3.4Å; E593-Y753 WeakPolarHBondContact CB-OH 3.42Å
594D88.2Confident84.7Confident15 Ų1544 Ų448%0.0823%0.225CC..THydrogen-bonded Turntrans-95.7-1.9-175.762.9-45.8000113.2G470 T592 Y615 A688 Y689 Y753G470-D594 WeakPolarHBondContact CA-OD1 3.46Å; G470-D594 WeakPolarHBondContact CA-OD2 3.32Å; G470-D594 PolarHBondContact N-OD2 3.29Å; G470-D594 VanDerWaalsContact N-OD2 3.09Å; T592-D594 WeakPolarHBondContact CB-OD1 3.4Å; T592-D594 PolarHBondContact O-N 2.82Å; T592-D594 VanDerWaalsContact O-N 3.16Å; T592-D594 PolarHBondContact OG1-OD1 3.34Å; D594-Y615 VanDerWaalsContact O-CD1 3.31Å; D594-Y615 WeakPolarHBondContact O-CD1 3.48Å; D594-A688 WeakPolarHBondContact O-CB 3.25Å; D594-Y689 PolarHBondContact O-N 3.29Å; D594-Y753 HydrophobicContact CB-CD1 3.5Å; D594-Y753 HydrophobicContact CB-CD2 4.22Å; D594-Y753 HydrophobicContact CB-CE1 3.73Å; D594-Y753 HydrophobicContact CB-CE2 4.45Å; D594-Y753 HydrophobicContact CB-CG 3.75Å
595H93Very high85Confident1 Ų144 Ų441%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-73.8142.1175.8-16092.3000110.9G470 F472 L591 T592 Y615 A616 S685G470-H595 VanDerWaalsContact C-ND1 3.34Å; G470-H595 PolarHBondContact O-ND1 3.09Å; F472-H595 AromaticContact CE1-CD2 3.93Å; F472-H595 AromaticContact CE1-CE1 3.36Å; F472-H595 WeakPolarHBondContact CE1-CE1 3.38Å; F472-H595 AromaticContact CE1-NE2 3.18Å; F472-H595 WeakPolarHBondContact CE1-NE2 3.48Å; F472-H595 AromaticContact CE2-CE1 3.54Å; F472-H595 AromaticContact CZ-CE1 3.03Å; F472-H595 WeakPolarHBondContact CZ-CE1 3.49Å; F472-H595 AromaticContact CZ-NE2 3.05Å; F472-H595 WeakPolarHBondContact CZ-NE2 3.48Å; L591-H595 HydrophobicContact CB-CB 4.18Å; L591-H595 HydrophobicContact CD2-CB 4.5Å; T592-H595 VanDerWaalsContact O-CB 3.29Å; T592-H595 WeakPolarHBondContact O-CB 3.49Å; T592-H595 PolarHBondContact O-N 2.89Å; T592-H595 VanDerWaalsContact O-N 3.1Å; H595-Y615 CarbonylContact O-C 3.58Å; H595-Y615 WeakPolarHBondContact O-CA 3.49Å; H595-A616 PolarHBondContact O-N 3.47Å; H595-S685 PolarHBondContact CE1-O 2.8Å; H595-S685 PolarHBondContact NE2-O 3.42Å
596L93.8Very high85.1Confident0 Ų044.3 Ų44.30%024%0.237CC..EExtended strand (participates in β ladder)trans-91.9130-178-61169.3000112.2V614 Y615 S685 F687 I690L596-V614 WeakPolarHBondContact CA-O 3.5Å; L596-Y615 HydrophobicContact CD2-CD1 3.49Å; L596-Y615 VanDerWaalsContact CD2-CD1 3.49Å; L596-Y615 HydrophobicContact CD2-CE1 3.6Å; L596-Y615 HydrophobicContact CD2-CG 4.21Å; L596-Y615 HydrophobicContact CG-CD1 4.42Å; L596-Y615 HydrophobicContact CG-CE1 4.46Å; L596-S685 PolarHBondContact O-N 3.46Å; L596-F687 HydrophobicContact CD1-CB 4.48Å; L596-F687 WeakPolarHBondContact CD1-O 3.3Å; L596-F687 WeakPolarHBondContact CG-O 3.23Å; L596-I690 WeakPolarHBondContact CD1-O 3.34Å
597I95.2Very high84.3Confident0 Ų042.8 Ų42.80%023%0.233CC..EExtended strand (participates in β ladder)trans-120.4148173.5-178.2170.2000109.9I529 L591 V614 V619 I625 V682 V684I529-I597 HydrophobicContact CD1-CD1 4.01Å; L591-I597 HydrophobicContact CD1-CB 4.07Å; L591-I597 HydrophobicContact CD1-CD1 4.31Å; I597-V614 WeakPolarHBondContact CG2-O 3.38Å; I597-V614 PolarHBondContact N-O 3.46Å; I597-V614 PolarHBondContact O-N 3.5Å; I597-V619 HydrophobicContact CG2-CG2 3.43Å; I597-V619 VanDerWaalsContact CG2-CG2 3.43Å; I597-I625 HydrophobicContact CD1-CG2 4Å; I597-I625 HydrophobicContact CG1-CG2 4.38Å; I597-V682 HydrophobicContact CD1-CG1 3.83Å; I597-V682 HydrophobicContact CG1-CG1 4.27Å; I597-V684 HydrophobicContact CB-CG1 4.49Å; I597-V684 HydrophobicContact CG1-CG1 4.32Å
598F94.5Very high82.5Confident15 Ų1548 Ų487%0.06626%0.261CS..EExtended strand (participates in β ladder)trans-90.4120.9179.2-63.4-76.8000111.3K611 K612 A613 F626 T676 L683 V684 H693F598-K611 HydrophobicContact CD1-CB 4.39Å; F598-K612 WeakPolarHBondContact CA-O 3.44Å; F598-A613 HydrophobicContact CD1-CB 4.14Å; F598-A613 HydrophobicContact CE1-CB 3.95Å; F598-F626 HydrophobicContact CB-CD2 4.07Å; F598-F626 HydrophobicContact CB-CE2 4.49Å; F598-T676 HydrophobicContact CE2-CG2 3.96Å; F598-T676 HydrophobicContact CZ-CG2 3.99Å; F598-L683 HydrophobicContact CB-CD2 4.49Å; F598-L683 HydrophobicContact CD2-CD2 3.87Å; F598-L683 HydrophobicContact CD2-CG 3.76Å; F598-L683 HydrophobicContact CE2-CD2 4.43Å; F598-L683 HydrophobicContact CE2-CG 4.23Å; F598-L683 HydrophobicContact CG-CD2 4.35Å; F598-V684 VanDerWaalsContact CE2-C 3.49Å; F598-H693 AromaticContact CZ-ND1 3.85Å
599I94.3Very high81.1Confident12 Ų1249.3 Ų49.36%0.06227%0.266CS..EExtended strand (participates in β ladder)trans-103.4153.8170.867168.8000110.8K611 K612 V614 I624 I625I599-K611 WeakPolarHBondContact O-CA 3.3Å; I599-K612 HydrophobicContact CG1-CB 4.09Å; I599-K612 PolarHBondContact N-O 3.49Å; I599-K612 PolarHBondContact O-N 3.01Å; I599-V614 HydrophobicContact CD1-CG2 3.63Å; I599-V614 HydrophobicContact CG1-CG2 3.8Å; I599-I624 CarbonylContact C-O 3.52Å; I599-I624 VanDerWaalsContact CA-O 3.31Å; I599-I624 WeakPolarHBondContact CA-O 3.4Å; I599-I625 HydrophobicContact CG2-CG2 4.2Å
600Y91.8Very high80.4Confident64 Ų6451.9 Ų51.925%0.25128%0.278SS..EExtended strand (participates in β ladder)trans-75121.2170.7179.8-101.1000110N602 H610 I624 F626 K637Y600-N602 HydrophobicContact CE1-CB 4.38Å; Y600-H610 CarbonylContact C-O 3.56Å; Y600-H610 VanDerWaalsContact CA-O 3.25Å; Y600-H610 WeakPolarHBondContact CA-O 3.39Å; Y600-H610 HydrophobicContact CD2-CB 3.58Å; Y600-H610 HydrophobicContact CE2-CB 3.27Å; Y600-H610 AromaticContact CE2-CD2 3.9Å; Y600-H610 AromaticContact CE2-CG 3.7Å; Y600-I624 HydrophobicContact CD1-CD1 4.38Å; Y600-I624 HydrophobicContact CG-CG2 4.49Å; Y600-I624 PolarHBondContact N-O 2.92Å; Y600-F626 HydrophobicContact CD2-CZ 4.02Å; Y600-K637 HydrophobicContact CD2-CD 4.45Å
601D88.9Confident80.2Confident33 Ų3352.1 Ų52.118%0.17628%0.28CS..  trans-126.6116.3175.9-167.4-9.6000109.8S603 T604 H610 K612D601-S603 PolarHBondContact O-N 3.35Å; D601-S603 VanDerWaalsContact OD1-CB 3.23Å; D601-S603 WeakPolarHBondContact OD1-CB 3.27Å; D601-S603 PolarHBondContact OD1-N 3.17Å; D601-T604 PolarHBondContact O-OG1 3.19Å; D601-H610 PolarHBondContact N-O 3.48Å; D601-H610 WeakPolarHBondContact O-CB 3.33Å; D601-H610 PolarHBondContact O-ND1 2.67Å; D601-K612 HydrophobicContact CB-CB 3.9Å; D601-K612 HydrophobicContact CB-CD 4.04Å; D601-K612 WeakPolarHBondContact OD2-CD 3.35Å; D601-K612 IonicContact OD2-NZ 2.92Å; D601-K612 PolarHBondContact OD2-NZ 2.78Å
602N80.7Confident80Confident97 Ų9756.6 Ų56.652%0.51930%0.299SS..THydrogen-bonded Turntrans-76.9-13.3178-161.823.5000112.4Y600 T604 H610Y600-N602 HydrophobicContact CE1-CB 4.38Å; N602-T604 VanDerWaalsContact C-N 3.31Å; N602-T604 PolarHBondContact O-N 3.11Å; N602-H610 PolarHBondContact OD1-CE1 3.4Å; N602-H610 VanDerWaalsContact OD1-CE1 3.32Å
603S76.6Confident80Confident94 Ų9457.4 Ų57.466%0.65731%0.307SS*.THydrogen-bonded Turntrans-73.6-21.4-178.8-173.80000113.4D601 M605D601-S603 PolarHBondContact O-N 3.35Å; D601-S603 VanDerWaalsContact OD1-CB 3.23Å; D601-S603 WeakPolarHBondContact OD1-CB 3.27Å; D601-S603 PolarHBondContact OD1-N 3.17Å; S603-M605 PolarHBondContact O-N 3.3Å; S603-M605 VanDerWaalsContact O-N 3.11Å
604T63.5Low80.1Confident46 Ų4658 Ų5828%0.28231%0.311SS..  trans-80.494.8-178.155.30000110.1D601 N602 V606D601-T604 PolarHBondContact O-OG1 3.19Å; N602-T604 VanDerWaalsContact C-N 3.31Å; N602-T604 PolarHBondContact O-N 3.11Å; T604-V606 PolarHBondContact O-N 2.99Å
605M50.8Low80.3Confident158 Ų15858.1 Ų58.178%0.77831%0.31SS*.THydrogen-bonded Turntrans-74.4-5176.4-68.2-73.2139.200113.9S603S603-M605 PolarHBondContact O-N 3.3Å; S603-M605 VanDerWaalsContact O-N 3.11Å
606V54.9Low80.4Confident126 Ų12658.1 Ų58.176%0.76431%0.31SS*.THydrogen-bonded Turntrans-88.9-18.1-161.9-175.10000113.6T604T604-V606 PolarHBondContact O-N 2.99Å
607N50.8Low80.4Confident111 Ų11159.8 Ų59.859%0.59432%0.322SS*.SBendtrans-151.5142.6171.6-82.2-41.4000109.1D609N607-D609 CarbonylContact O-C 3.58Å; N607-D609 PolarHBondContact O-N 3.38Å
608N54.8Low80.4Confident159 Ų15963.8 Ų63.885%0.8534%0.343SS*.SBendtrans-55.8-12.6177.3-76.5-14000114.1H610N608-H610 PolarHBondContact O-N 3.33Å
609D65Low80.4Confident58 Ų5863.4 Ų63.431%0.3134%0.342SS..  trans-84.486.8168.1-83.27.5000109.3N607 K611N607-D609 CarbonylContact O-C 3.58Å; N607-D609 PolarHBondContact O-N 3.38Å; D609-K611 HydrophobicContact CB-CD 4.33Å; D609-K611 HydrophobicContact CB-CG 4.26Å; D609-K611 PolarHBondContact O-N 2.98Å; D609-K611 IonicContact OD1-NZ 2.67Å; D609-K611 IonicContact OD2-NZ 3.84Å; D609-K611 PolarHBondContact OD2-NZ 3.19Å
610H80.8Confident80.5Confident53 Ų5369.8 Ų69.825%0.24537%0.369CS..  trans-58.950.1170.8-65.2-79000113.6Y600 D601 N602 N608Y600-H610 CarbonylContact C-O 3.56Å; Y600-H610 VanDerWaalsContact CA-O 3.25Å; Y600-H610 WeakPolarHBondContact CA-O 3.39Å; Y600-H610 HydrophobicContact CD2-CB 3.58Å; Y600-H610 HydrophobicContact CE2-CB 3.27Å; Y600-H610 AromaticContact CE2-CD2 3.9Å; Y600-H610 AromaticContact CE2-CG 3.7Å; D601-H610 PolarHBondContact N-O 3.48Å; D601-H610 WeakPolarHBondContact O-CB 3.33Å; D601-H610 PolarHBondContact O-ND1 2.67Å; N602-H610 PolarHBondContact OD1-CE1 3.4Å; N602-H610 VanDerWaalsContact OD1-CE1 3.32Å; N608-H610 PolarHBondContact O-N 3.33Å
611K88.5Confident80.7Confident40 Ų4074.3 Ų74.317%0.17439%0.39CS..EExtended strand (participates in β ladder)trans-113.9127.4-173.7-58.6-176.9-170.1140.70109.7Q500 F598 I599 D609 F626 L683Q500-K611 VanDerWaalsContact OE1-CE 3.29Å; F598-K611 HydrophobicContact CD1-CB 4.39Å; I599-K611 WeakPolarHBondContact O-CA 3.3Å; D609-K611 HydrophobicContact CB-CD 4.33Å; D609-K611 HydrophobicContact CB-CG 4.26Å; D609-K611 PolarHBondContact O-N 2.98Å; D609-K611 IonicContact OD1-NZ 2.67Å; D609-K611 IonicContact OD2-NZ 3.84Å; D609-K611 PolarHBondContact OD2-NZ 3.19Å; K611-F626 HydrophobicContact CB-CE2 4.18Å; K611-F626 HydrophobicContact CB-CZ 4.47Å; K611-F626 HydrophobicContact CD-CE2 4.35Å; K611-F626 HydrophobicContact CD-CZ 4.42Å; K611-F626 HydrophobicContact CG-CD2 4.3Å; K611-F626 HydrophobicContact CG-CE1 4.26Å; K611-F626 HydrophobicContact CG-CE2 3.59Å; K611-F626 HydrophobicContact CG-CZ 3.55Å; K611-L683 HydrophobicContact CD-CD2 4.39Å
612K90.5Very high80.9Confident94 Ų9474.5 Ų74.541%0.40940%0.4SS..EExtended strand (participates in β ladder)trans-124.6125.9175.7-179.1174.1-180177.90110.2F598 I599 D601 V614F598-K612 WeakPolarHBondContact CA-O 3.44Å; I599-K612 HydrophobicContact CG1-CB 4.09Å; I599-K612 PolarHBondContact N-O 3.49Å; I599-K612 PolarHBondContact O-N 3.01Å; D601-K612 HydrophobicContact CB-CB 3.9Å; D601-K612 HydrophobicContact CB-CD 4.04Å; D601-K612 WeakPolarHBondContact OD2-CD 3.35Å; D601-K612 IonicContact OD2-NZ 2.92Å; D601-K612 PolarHBondContact OD2-NZ 2.78Å; K612-V614 HydrophobicContact CD-CG2 4.38Å; K612-V614 HydrophobicContact CG-CG2 3.98Å
613A92.1Very high81.6Confident21 Ų2172.6 Ų72.617%0.17439%0.388CS..EExtended strand (participates in β ladder)trans-74.6129.1172.800000109.7F598 H693F598-A613 HydrophobicContact CD1-CB 4.14Å; F598-A613 HydrophobicContact CE1-CB 3.95Å; A613-H693 HydrophobicContact CB-CB 4.17Å
614V92.9Very high82.4Confident21 Ų2170.9 Ų70.913%0.12737%0.371CS..EExtended strand (participates in β ladder)trans-139.5146.4179.5-177.80000108.6L596 I597 I599 K612 N618L596-V614 WeakPolarHBondContact CA-O 3.5Å; I597-V614 WeakPolarHBondContact CG2-O 3.38Å; I597-V614 PolarHBondContact N-O 3.46Å; I597-V614 PolarHBondContact O-N 3.5Å; I599-V614 HydrophobicContact CD1-CG2 3.63Å; I599-V614 HydrophobicContact CG1-CG2 3.8Å; K612-V614 HydrophobicContact CD-CG2 4.38Å; K612-V614 HydrophobicContact CG-CG2 3.98Å; V614-N618 HydrophobicContact CG1-CB 3.53Å
615Y93.8Very high83.9Confident18 Ų1868.7 Ų68.77%0.07136%0.357CS..EExtended strand (participates in β ladder)trans-61.6143173.4-60.3-62.1000111.3D594 H595 L596 S617 N618 V619 Y689 S691 H751 Y753D594-Y615 VanDerWaalsContact O-CD1 3.31Å; D594-Y615 WeakPolarHBondContact O-CD1 3.48Å; H595-Y615 CarbonylContact O-C 3.58Å; H595-Y615 WeakPolarHBondContact O-CA 3.49Å; L596-Y615 HydrophobicContact CD2-CD1 3.49Å; L596-Y615 VanDerWaalsContact CD2-CD1 3.49Å; L596-Y615 HydrophobicContact CD2-CE1 3.6Å; L596-Y615 HydrophobicContact CD2-CG 4.21Å; L596-Y615 HydrophobicContact CG-CD1 4.42Å; L596-Y615 HydrophobicContact CG-CE1 4.46Å; Y615-S617 PolarHBondContact O-N 3.28Å; Y615-N618 WeakPolarHBondContact O-CA 3.38Å; Y615-N618 PolarHBondContact O-N 2.96Å; Y615-V619 PolarHBondContact O-N 2.83Å; Y615-Y689 PolarHBondContact OH-O 3.05Å; Y615-S691 WeakPolarHBondContact OH-CA 3.35Å; Y615-S691 WeakPolarHBondContact OH-CB 3.27Å; Y615-S691 PolarHBondContact OH-N 2.84Å; Y615-H751 PolarHBondContact OH-O 2.8Å; Y615-Y753 AromaticContact CD1-CD2 3.87Å; Y615-Y753 HydrophobicContact CD1-CD2 3.87Å; Y615-Y753 HydrophobicContact CD1-CG 4.49Å; Y615-Y753 AromaticContact CD2-CD2 3.73Å; Y615-Y753 HydrophobicContact CD2-CD2 3.73Å; Y615-Y753 HydrophobicContact CD2-CE2 4.36Å; Y615-Y753 HydrophobicContact CE1-CD2 4.04Å; Y615-Y753 HydrophobicContact CE1-CG 4.34Å; Y615-Y753 AromaticContact CE2-CD2 3.89Å; Y615-Y753 HydrophobicContact CE2-CD2 3.89Å; Y615-Y753 AromaticContact CG-CD2 3.7Å; Y615-Y753 HydrophobicContact CG-CD2 3.7Å; Y615-Y753 HydrophobicContact CG-CE2 4.2Å; Y615-Y753 PolarHBondContact OH-N 3.38Å
616A94.9Very high86Confident0 Ų061.9 Ų61.90%032%0.323CS..G310 helixtrans-55-36.217800000112.4I527 L591 T592 E593 H595 N618 V619I527-A616 VanDerWaalsContact CD1-C 3.45Å; I527-A616 HydrophobicContact CD1-CB 4.03Å; L591-A616 HydrophobicContact CB-CB 3.92Å; L591-A616 HydrophobicContact CD1-CB 4.23Å; T592-A616 WeakPolarHBondContact O-CB 3.47Å; E593-A616 PolarHBondContact O-N 3.22Å; H595-A616 PolarHBondContact O-N 3.47Å; A616-N618 VanDerWaalsContact C-N 3.25Å; A616-N618 PolarHBondContact O-N 3.42Å; A616-V619 WeakPolarHBondContact O-CB 3.39Å; A616-V619 PolarHBondContact O-N 3.41Å
617S93Very high87.9Confident35 Ų3556 Ų5625%0.24529%0.288CS..G310 helixtrans-63.6-25.1174.347.30000114.8I527 E593 Y615 Y753I527-S617 VanDerWaalsContact CD1-N 3.3Å; E593-S617 WeakPolarHBondContact O-CB 3.49Å; E593-S617 PolarHBondContact O-N 2.7Å; E593-S617 PolarHBondContact O-OG 3.29Å; Y615-S617 PolarHBondContact O-N 3.28Å; S617-Y753 VanDerWaalsContact OG-CE2 3.3Å; S617-Y753 WeakPolarHBondContact OG-CE2 3.24Å; S617-Y753 PolarHBondContact OG-OH 3.33Å
618N94.7Very high90Very high85 Ų8550.9 Ų50.946%0.45526%0.26SS..G310 helixtrans-94.3-3.3-178.5-70.76000112.6V614 Y615 A616V614-N618 HydrophobicContact CG1-CB 3.53Å; Y615-N618 WeakPolarHBondContact O-CA 3.38Å; Y615-N618 PolarHBondContact O-N 2.96Å; A616-N618 VanDerWaalsContact C-N 3.25Å; A616-N618 PolarHBondContact O-N 3.42Å
619V95.8Very high91.7Very high7 Ų745 Ų454%0.04223%0.229CC..  trans-71.8141.2176.3177.60000110.6I529 I597 Y615 A616 I640 V643I529-V619 HydrophobicContact CD1-CB 4.4Å; I529-V619 HydrophobicContact CD1-CG1 4.32Å; I529-V619 HydrophobicContact CD1-CG2 4.35Å; I597-V619 HydrophobicContact CG2-CG2 3.43Å; I597-V619 VanDerWaalsContact CG2-CG2 3.43Å; Y615-V619 PolarHBondContact O-N 2.83Å; A616-V619 WeakPolarHBondContact O-CB 3.39Å; A616-V619 PolarHBondContact O-N 3.41Å; V619-I640 HydrophobicContact CG1-CD1 3.26Å; V619-I640 HydrophobicContact CG1-CG1 4.44Å; V619-V643 HydrophobicContact CG1-CG2 4.06Å
620K96Very high92.8Very high146 Ų14646.2 Ų46.264%0.63523%0.233SC*.  trans-126.2149.6-178.5-61.8-179.6-177.5179.40111.3G622 Q623K620-G622 PolarHBondContact O-N 2.84Å; K620-Q623 HydrophobicContact CB-CG 4.44Å; K620-Q623 WeakPolarHBondContact O-CB 3.3Å; K620-Q623 PolarHBondContact O-N 3.34Å
621K95.8Very high93.1Very high158 Ų15850.3 Ų50.369%0.68725%0.25SC*.THydrogen-bonded Turntrans-51.7139169178.2175.7-177.1171.90110.7Q623 I641K621-Q623 VanDerWaalsContact C-N 3.33Å; K621-I641 WeakPolarHBondContact CD-O 3.43Å; K621-I641 WeakPolarHBondContact CE-O 3.29Å; K621-I641 VanDerWaalsContact CG-O 3.28Å; K621-I641 WeakPolarHBondContact CG-O 3.38Å
622G93.4Very high93Very high37 Ų3753.1 Ų53.138%0.38127%0.266SS..THydrogen-bonded Turntrans89.4-14.8179.200000114.9K620 I640K620-G622 PolarHBondContact O-N 2.84Å; G622-I640 PolarHBondContact N-O 2.84Å
623Q95Very high93Very high58 Ų5853 Ų5327%0.27127%0.27SS..  trans-67.8160170.5-68.8-179.7-40.500111.2K620 K621 I640K620-Q623 HydrophobicContact CB-CG 4.44Å; K620-Q623 WeakPolarHBondContact O-CB 3.3Å; K620-Q623 PolarHBondContact O-N 3.34Å; K621-Q623 VanDerWaalsContact C-N 3.33Å; Q623-I640 HydrophobicContact CB-CD1 3.83Å; Q623-I640 PolarHBondContact O-N 2.71Å
624I94.2Very high92.9Very high57 Ų5756.7 Ų56.729%0.29228%0.282SS..EExtended strand (participates in β ladder)trans-108133.7-178.9-63.9168.8000108.8I599 Y600 K637 A638I599-I624 CarbonylContact C-O 3.52Å; I599-I624 VanDerWaalsContact CA-O 3.31Å; I599-I624 WeakPolarHBondContact CA-O 3.4Å; Y600-I624 HydrophobicContact CD1-CD1 4.38Å; Y600-I624 HydrophobicContact CG-CG2 4.49Å; Y600-I624 PolarHBondContact N-O 2.92Å; I624-K637 HydrophobicContact CG2-CB 3.71Å; I624-K637 HydrophobicContact CG2-CD 4.26Å; I624-K637 HydrophobicContact CG2-CG 4.04Å; I624-A638 CarbonylContact C-O 3.59Å; I624-A638 VanDerWaalsContact CA-O 3.29Å; I624-A638 WeakPolarHBondContact CA-O 3.32Å
625I95.3Very high92.8Very high0 Ų057.1 Ų57.10%028%0.283CS..EExtended strand (participates in β ladder)trans-118.6173174.857.3171.5000110.3Y531 I597 I599 V627 K637 A638 I640 V682Y531-I625 HydrophobicContact CD1-CD1 3.84Å; Y531-I625 HydrophobicContact CG-CD1 3.85Å; I597-I625 HydrophobicContact CD1-CG2 4Å; I597-I625 HydrophobicContact CG1-CG2 4.38Å; I599-I625 HydrophobicContact CG2-CG2 4.2Å; I625-V627 HydrophobicContact CD1-CG2 4.49Å; I625-V627 HydrophobicContact CG1-CG2 4.47Å; I625-K637 WeakPolarHBondContact O-CA 3.27Å; I625-A638 HydrophobicContact CG1-CB 4.23Å; I625-A638 PolarHBondContact N-O 3.36Å; I625-A638 PolarHBondContact O-N 2.93Å; I625-I640 HydrophobicContact CD1-CG1 4.21Å; I625-I640 HydrophobicContact CG1-CG1 4.18Å; I625-I640 HydrophobicContact CG2-CD1 3.51Å; I625-I640 HydrophobicContact CG2-CG1 3.94Å; I625-V682 HydrophobicContact CD1-CG1 4.04Å; I625-V682 HydrophobicContact CD1-CG2 4.15Å
626F94.3Very high92.6Very high15 Ų1557.4 Ų57.47%0.06629%0.286CS..EExtended strand (participates in β ladder)trans-106.9124.8-178.5-62.1-85.5000111.7F598 Y600 K611 L635 M636 L683F598-F626 HydrophobicContact CB-CD2 4.07Å; F598-F626 HydrophobicContact CB-CE2 4.49Å; Y600-F626 HydrophobicContact CD2-CZ 4.02Å; K611-F626 HydrophobicContact CB-CE2 4.18Å; K611-F626 HydrophobicContact CB-CZ 4.47Å; K611-F626 HydrophobicContact CD-CE2 4.35Å; K611-F626 HydrophobicContact CD-CZ 4.42Å; K611-F626 HydrophobicContact CG-CD2 4.3Å; K611-F626 HydrophobicContact CG-CE1 4.26Å; K611-F626 HydrophobicContact CG-CE2 3.59Å; K611-F626 HydrophobicContact CG-CZ 3.55Å; F626-L635 HydrophobicContact CB-CD1 3.9Å; F626-L635 HydrophobicContact CB-CD2 3.6Å; F626-L635 HydrophobicContact CB-CG 3.75Å; F626-L635 HydrophobicContact CD1-CD2 3.67Å; F626-L635 HydrophobicContact CD1-CG 4.21Å; F626-L635 HydrophobicContact CG-CD2 3.89Å; F626-L635 HydrophobicContact CG-CG 4.42Å; F626-M636 CarbonylContact C-O 3.57Å; F626-M636 WeakPolarHBondContact CA-O 3.32Å; F626-L683 HydrophobicContact CB-CB 4.09Å; F626-L683 HydrophobicContact CB-CD2 4.38Å; F626-L683 PolarHBondContact O-N 3.26Å
627V94.7Very high92.5Very high3 Ų360.8 Ų60.82%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-121.5129.9-175.91780000110.2Y531 I533 I625 L635 M636 A638 N681 V682Y531-V627 HydrophobicContact CD2-CG2 3.76Å; Y531-V627 HydrophobicContact CE2-CB 4.4Å; Y531-V627 HydrophobicContact CE2-CG1 3.97Å; Y531-V627 HydrophobicContact CE2-CG2 3.51Å; I533-V627 HydrophobicContact CG1-CG1 4.44Å; I625-V627 HydrophobicContact CD1-CG2 4.49Å; I625-V627 HydrophobicContact CG1-CG2 4.47Å; V627-L635 CarbonylContact O-C 3.6Å; V627-L635 WeakPolarHBondContact O-CA 3.22Å; V627-M636 PolarHBondContact N-O 2.96Å; V627-M636 PolarHBondContact O-N 3.27Å; V627-A638 HydrophobicContact CB-CB 4.27Å; V627-A638 HydrophobicContact CG2-CB 3.41Å; V627-A638 VanDerWaalsContact CG2-CB 3.41Å; V627-N681 CarbonylContact C-O 3.6Å; V627-N681 VanDerWaalsContact CA-O 3.24Å; V627-N681 WeakPolarHBondContact CA-O 3.44Å; V627-N681 HydrophobicContact CG1-CB 4Å; V627-N681 WeakPolarHBondContact CG1-O 3.39Å; V627-V682 HydrophobicContact CG2-CG2 4.31Å
628Y94.1Very high92.5Very high3 Ų359.1 Ų59.11%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-82.4120176.1176.4-113.3000111F479 I498 I507 H630 N633 I678 N681F479-Y628 HydrophobicContact CD2-CD1 4.27Å; F479-Y628 HydrophobicContact CD2-CE1 4.25Å; F479-Y628 HydrophobicContact CE2-CD1 4.41Å; I498-Y628 HydrophobicContact CG2-CE1 4.28Å; I498-Y628 HydrophobicContact CG2-CE2 4.27Å; I507-Y628 HydrophobicContact CD1-CD2 3.91Å; I507-Y628 HydrophobicContact CD1-CE2 4.15Å; I507-Y628 HydrophobicContact CG1-CD2 4.36Å; I507-Y628 HydrophobicContact CG1-CE2 4.15Å; I507-Y628 HydrophobicContact CG2-CE2 4.02Å; Y628-H630 HydrophobicContact CE1-CB 3.95Å; Y628-N633 WeakPolarHBondContact CE2-OD1 3.34Å; Y628-N633 PolarHBondContact OH-OD1 3.42Å; Y628-I678 HydrophobicContact CD1-CD1 4.24Å; Y628-I678 HydrophobicContact CD1-CG2 4.18Å; Y628-I678 HydrophobicContact CD2-CD1 4.01Å; Y628-I678 HydrophobicContact CG-CD1 3.74Å; Y628-I678 HydrophobicContact CG-CG2 4.24Å; Y628-N681 PolarHBondContact N-O 3.1Å; Y628-N681 PolarHBondContact O-ND2 3.33Å
629N91.7Very high92.5Very high37 Ų3760.9 Ų60.920%0.19829%0.293CS..EExtended strand (participates in β ladder)trans-90.7113.9167.2-168.7-37.8000109K631 L632 N633 K634 M636N629-K631 WeakPolarHBondContact OD1-CB 3.26Å; N629-K631 PolarHBondContact OD1-N 3.1Å; N629-L632 HydrophobicContact CB-CB 4.19Å; N629-L632 PolarHBondContact OD1-N 3.36Å; N629-N633 WeakPolarHBondContact O-CA 3.44Å; N629-N633 PolarHBondContact O-N 3.1Å; N629-K634 PolarHBondContact N-O 2.95Å; N629-K634 PolarHBondContact O-N 3.48Å; N629-M636 HydrophobicContact CB-CE 3.61Å; N629-M636 HydrophobicContact CB-CG 4.24Å; N629-M636 HydrophobicContact CB-SD 3.75Å
630H87.3Confident92.5Very high83 Ų8360.6 Ų60.638%0.38429%0.291SS..THydrogen-bonded Turntrans-65.5-41.2178.3-178.256.2000112.4F479 Y628 L632 N633F479-H630 HydrophobicContact CE1-CB 4.23Å; F479-H630 AromaticContact CE1-CG 3.89Å; F479-H630 HydrophobicContact CZ-CB 4.02Å; Y628-H630 HydrophobicContact CE1-CB 3.95Å; H630-L632 VanDerWaalsContact C-N 3.33Å; H630-L632 PolarHBondContact O-N 3.46Å; H630-N633 PolarHBondContact O-N 2.84Å
631K87.2Confident92.5Very high138 Ų13857 Ų5760%0.628%0.278SS*.THydrogen-bonded Turntrans-60.6-41.9179.7-64.8-175.3175.5-175.40111.5E578 N629E578-K631 IonicContact OE2-NZ 2.85Å; N629-K631 WeakPolarHBondContact OD1-CB 3.26Å; N629-K631 PolarHBondContact OD1-N 3.1Å
632L87.4Confident92.4Very high100 Ų10050.7 Ų50.752%0.52425%0.253SS..THydrogen-bonded Turntrans-90.2-6.4-179.7-61178.2000113.9N629 H630 K634 M636N629-L632 HydrophobicContact CB-CB 4.19Å; N629-L632 PolarHBondContact OD1-N 3.36Å; H630-L632 VanDerWaalsContact C-N 3.33Å; H630-L632 PolarHBondContact O-N 3.46Å; L632-K634 HydrophobicContact CB-CB 4.14Å; L632-K634 PolarHBondContact O-N 3.22Å; L632-K634 VanDerWaalsContact O-N 3.12Å; L632-M636 HydrophobicContact CD1-SD 4.26Å
633N89.1Confident92.6Very high92 Ų9251.2 Ų51.249%0.49225%0.249SC..THydrogen-bonded Turntrans44.439.9-169.1-164.530.6000113.3Y628 N629 H630Y628-N633 WeakPolarHBondContact CE2-OD1 3.34Å; Y628-N633 PolarHBondContact OH-OD1 3.42Å; N629-N633 WeakPolarHBondContact O-CA 3.44Å; N629-N633 PolarHBondContact O-N 3.1Å; H630-N633 PolarHBondContact O-N 2.84Å
634K90.2Very high92.5Very high97 Ų9752.9 Ų52.942%0.42226%0.257SS..EExtended strand (participates in β ladder)trans-135.6146.8-171.2-174.2175176.1-179.80110.8N629 L632N629-K634 PolarHBondContact N-O 2.95Å; N629-K634 PolarHBondContact O-N 3.48Å; L632-K634 HydrophobicContact CB-CB 4.14Å; L632-K634 PolarHBondContact O-N 3.22Å; L632-K634 VanDerWaalsContact O-N 3.12Å
635L90.9Very high92.3Very high30 Ų3052.9 Ų52.916%0.15726%0.257CS..EExtended strand (participates in β ladder)trans-85.5125.8172.5-162.476000110.1Q500 I507 F626 V627 L683Q500-L635 VanDerWaalsContact OE1-CD2 3.23Å; I507-L635 HydrophobicContact CD1-CB 4.5Å; F626-L635 HydrophobicContact CB-CD1 3.9Å; F626-L635 HydrophobicContact CB-CD2 3.6Å; F626-L635 HydrophobicContact CB-CG 3.75Å; F626-L635 HydrophobicContact CD1-CD2 3.67Å; F626-L635 HydrophobicContact CD1-CG 4.21Å; F626-L635 HydrophobicContact CG-CD2 3.89Å; F626-L635 HydrophobicContact CG-CG 4.42Å; V627-L635 CarbonylContact O-C 3.6Å; V627-L635 WeakPolarHBondContact O-CA 3.22Å; L635-L683 HydrophobicContact CD1-CB 4.16Å; L635-L683 HydrophobicContact CD2-CD2 4.12Å
636M90.7Very high91.9Very high24 Ų2456.5 Ų56.512%0.11827%0.271CS..EExtended strand (participates in β ladder)trans-112164.3-179.8-54.2-174.3-51.300110I533 I538 F626 V627 N629 L632I533-M636 HydrophobicContact CB-CE 4.46Å; I533-M636 HydrophobicContact CD1-CE 3.83Å; I533-M636 HydrophobicContact CG1-CE 4.11Å; I533-M636 HydrophobicContact CG2-CE 3.53Å; I533-M636 HydrophobicContact CG2-SD 4.4Å; I538-M636 HydrophobicContact CD1-SD 4.44Å; F626-M636 CarbonylContact C-O 3.57Å; F626-M636 WeakPolarHBondContact CA-O 3.32Å; V627-M636 PolarHBondContact N-O 2.96Å; V627-M636 PolarHBondContact O-N 3.27Å; N629-M636 HydrophobicContact CB-CE 3.61Å; N629-M636 HydrophobicContact CB-CG 4.24Å; N629-M636 HydrophobicContact CB-SD 3.75Å; L632-M636 HydrophobicContact CD1-SD 4.26Å
637K91.9Very high91.1Very high71 Ų7160.7 Ų60.731%0.30929%0.289SS..EExtended strand (participates in β ladder)trans-94.2135.2173.8-68.7179.6-174177.90109.3N534 Y600 I624 I625N534-K637 PolarHBondContact N-O 3.46Å; Y600-K637 HydrophobicContact CD2-CD 4.45Å; I624-K637 HydrophobicContact CG2-CB 3.71Å; I624-K637 HydrophobicContact CG2-CD 4.26Å; I624-K637 HydrophobicContact CG2-CG 4.04Å; I625-K637 WeakPolarHBondContact O-CA 3.27Å
638A93.3Very high89.6Confident1 Ų162.1 Ų62.11%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-128.9143.1175.500000110.4Y531 Q532 I624 I625 V627Y531-A638 HydrophobicContact CD2-CB 3.79Å; Y531-A638 HydrophobicContact CG-CB 4.39Å; Q532-A638 CarbonylContact O-C 3.52Å; Q532-A638 VanDerWaalsContact O-CA 3.27Å; Q532-A638 WeakPolarHBondContact O-CA 3.28Å; Q532-A638 WeakPolarHBondContact O-CB 3.4Å; I624-A638 CarbonylContact C-O 3.59Å; I624-A638 VanDerWaalsContact CA-O 3.29Å; I624-A638 WeakPolarHBondContact CA-O 3.32Å; I625-A638 HydrophobicContact CG1-CB 4.23Å; I625-A638 PolarHBondContact N-O 3.36Å; I625-A638 PolarHBondContact O-N 2.93Å; V627-A638 HydrophobicContact CB-CB 4.27Å; V627-A638 HydrophobicContact CG2-CB 3.41Å; V627-A638 VanDerWaalsContact CG2-CB 3.41Å
639K94.2Very high87.8Confident122 Ų12262.8 Ų62.853%0.5330%0.302SS..EExtended strand (participates in β ladder)trans-91.3132.7179.1-172.6176.4-178177.70109.8Y531 Q532 I641Y531-K639 VanDerWaalsContact CA-O 3.27Å; Y531-K639 WeakPolarHBondContact CA-O 3.32Å; Q532-K639 PolarHBondContact N-O 2.91Å; Q532-K639 PolarHBondContact O-N 3.13Å; K639-I641 PolarHBondContact O-N 3.2Å
640I96Very high85.7Confident1 Ų168.2 Ų68.21%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-74.4123.7174.8-63.7158.7000109.3I529 V619 G622 Q623 I625 V643I529-I640 HydrophobicContact CG2-CD1 4.37Å; I529-I640 HydrophobicContact CG2-CG1 3.96Å; I529-I640 HydrophobicContact CG2-CG2 3.85Å; V619-I640 HydrophobicContact CG1-CD1 3.26Å; V619-I640 HydrophobicContact CG1-CG1 4.44Å; G622-I640 PolarHBondContact N-O 2.84Å; Q623-I640 HydrophobicContact CB-CD1 3.83Å; Q623-I640 PolarHBondContact O-N 2.71Å; I625-I640 HydrophobicContact CD1-CG1 4.21Å; I625-I640 HydrophobicContact CG1-CG1 4.18Å; I625-I640 HydrophobicContact CG2-CD1 3.51Å; I625-I640 HydrophobicContact CG2-CG1 3.94Å; I640-V643 HydrophobicContact CG2-CG2 3.67Å
641I95.1Very high83.4Confident71 Ų7167.5 Ų67.536%0.36433%0.328SS..EExtended strand (participates in β ladder)trans-95.5-36.8-179.9-55.8164.8000111K530 Q532 K621 K639K530-I641 PolarHBondContact O-N 2.99Å; Q532-I641 HydrophobicContact CB-CD1 3.36Å; Q532-I641 HydrophobicContact CB-CG1 4.04Å; K621-I641 WeakPolarHBondContact CD-O 3.43Å; K621-I641 WeakPolarHBondContact CE-O 3.29Å; K621-I641 VanDerWaalsContact CG-O 3.28Å; K621-I641 WeakPolarHBondContact CG-O 3.38Å; K639-I641 PolarHBondContact O-N 3.2Å
642S95.1Very high80.9Confident24 Ų2468.2 Ų68.217%0.16834%0.338CS..EExtended strand (participates in β ladder)trans-150.6146.1-174.1-168.90000111.2I529 K530 Q644I529-S642 WeakPolarHBondContact CA-O 3.33Å; K530-S642 PolarHBondContact N-O 2.98Å; K530-S642 PolarHBondContact O-N 2.93Å; S642-Q644 PolarHBondContact OG-NE2 2.71Å; S642-Q644 VanDerWaalsContact OG-NE2 3.15Å
643V96.3Very high78.6Confident48 Ų4869.3 Ų69.329%0.29134%0.344SS..EExtended strand (participates in β ladder)trans-134.2117.3173-177.70000106.9I527 E528 I529 V619 I640I527-V643 HydrophobicContact CG2-CG1 3.52Å; E528-V643 WeakPolarHBondContact O-CA 3.32Å; I529-V643 HydrophobicContact CG1-CG1 4.49Å; V619-V643 HydrophobicContact CG1-CG2 4.06Å; I640-V643 HydrophobicContact CG2-CG2 3.67Å
644Q93.1Very high76.4Confident93 Ų9371.5 Ų71.544%0.43536%0.356SS..EExtended strand (participates in β ladder)trans-137.2133.3-174.7-65.7-179.37.600111.3I527 E528 S642I527-Q644 CarbonylContact C-O 3.49Å; I527-Q644 WeakPolarHBondContact CA-O 3.31Å; E528-Q644 PolarHBondContact N-O 3.44Å; E528-Q644 PolarHBondContact O-N 3.13Å; S642-Q644 PolarHBondContact OG-NE2 2.71Å; S642-Q644 VanDerWaalsContact OG-NE2 3.15Å
645L90.8Very high74.2Confident57 Ų5772.9 Ų72.930%0.29837%0.368SS..EExtended strand (participates in β ladder)trans-82.7118173.1-173.968.6000110.1P525 I527 E593 Y757P525-L645 HydrophobicContact CB-CD1 3.97Å; P525-L645 HydrophobicContact CB-CG 4.43Å; I527-L645 HydrophobicContact CG1-CD1 3.86Å; E593-L645 HydrophobicContact CG-CD1 4.09Å; E593-L645 WeakPolarHBondContact OE1-CD1 3.4Å; L645-Y757 HydrophobicContact CD2-CE2 3.88Å
646R86.8Confident72.3Confident77 Ų7779.7 Ų79.729%0.29141%0.405SS..EExtended strand (participates in β ladder)trans-105.6118.1178.2-65.2-159.3175.9-160.53.8111.3P525 L526 E528 F649P525-R646 WeakPolarHBondContact CA-O 3.11Å; L526-R646 PolarHBondContact N-O 3.39Å; L526-R646 PolarHBondContact O-N 2.65Å; E528-R646 HydrophobicContact CB-CG 4.3Å; E528-R646 VanDerWaalsContact CD-CZ 3.46Å; E528-R646 VanDerWaalsContact CD-NE 3.34Å; E528-R646 IonicContact OE1-CZ 2.7Å; E528-R646 IonicContact OE1-NE 3.19Å; E528-R646 IonicContact OE1-NH2 3.44Å; E528-R646 PolarHBondContact OE1-NH2 3.03Å; E528-R646 IonicContact OE2-CZ 2.85Å; E528-R646 IonicContact OE2-NE 2.69Å; E528-R646 PolarHBondContact OE2-NE 3.45Å; E528-R646 IonicContact OE2-NH2 3.44Å; E528-R646 PolarHBondContact OE2-NH2 3.03Å; R646-F649 HydrophobicContact CB-CE1 4.4Å; R646-F649 HydrophobicContact CB-CZ 4.17Å
647K77.6Confident70.3Confident102 Ų10285.1 Ų85.144%0.44343%0.434SS..SBendtrans-101-30.4176.7-62.3-175.9177.3179.20113W523 P525W523-K647 HydrophobicContact CZ2-CB 4.35Å; W523-K647 WeakPolarHBondContact CZ2-O 3.3Å; P525-K647 HydrophobicContact CB-CG 4.05Å
648S62Low68.2Low33 Ų3387.3 Ų87.323%0.23145%0.454CS..  trans-125.1125.8174.452.50000108.8F650S648-F650 PolarHBondContact O-N 2.89Å; S648-F650 VanDerWaalsContact OG-CE2 3.24Å; S648-F650 WeakPolarHBondContact OG-CE2 3.45Å; S648-F650 VanDerWaalsContact OG-CZ 3.28Å; S648-F650 WeakPolarHBondContact OG-CZ 3.14Å
649F56.4Low66.2Low18 Ų1894.9 Ų94.98%0.07949%0.494CS..  trans-8993.8169.6-73.7-86.4000107L526 Y590 R646 S651 Y662 K664L526-F649 HydrophobicContact CB-CE2 4.46Å; L526-F649 HydrophobicContact CB-CZ 4.2Å; L526-F649 HydrophobicContact CD1-CE2 3.91Å; L526-F649 HydrophobicContact CD1-CZ 3.89Å; Y590-F649 AromaticContact CD1-CE1 3.89Å; Y590-F649 HydrophobicContact CD1-CE1 3.89Å; Y590-F649 AromaticContact CD1-CZ 3.86Å; Y590-F649 HydrophobicContact CD1-CZ 3.86Å; Y590-F649 AromaticContact CE1-CE1 3.6Å; Y590-F649 HydrophobicContact CE1-CE1 3.6Å; Y590-F649 HydrophobicContact CE1-CZ 4.06Å; R646-F649 HydrophobicContact CB-CE1 4.4Å; R646-F649 HydrophobicContact CB-CZ 4.17Å; F649-S651 PolarHBondContact O-N 3.45Å; F649-Y662 CarbonylContact C-O 3.42Å; F649-K664 HydrophobicContact CB-CD 4.36Å; F649-K664 HydrophobicContact CB-CG 3.86Å; F649-K664 HydrophobicContact CD1-CD 3.64Å; F649-K664 HydrophobicContact CD1-CG 4.08Å; F649-K664 HydrophobicContact CD2-CB 3.45Å; F649-K664 VanDerWaalsContact CD2-CB 3.45Å; F649-K664 HydrophobicContact CD2-CD 3.55Å; F649-K664 HydrophobicContact CD2-CG 3.32Å; F649-K664 HydrophobicContact CE1-CD 3.62Å; F649-K664 VanDerWaalsContact CE1-CE 3.4Å; F649-K664 HydrophobicContact CE1-CG 4.44Å; F649-K664 HydrophobicContact CE2-CB 3.68Å; F649-K664 HydrophobicContact CE2-CD 3.57Å; F649-K664 HydrophobicContact CE2-CG 3.77Å; F649-K664 HydrophobicContact CG-CB 4.15Å; F649-K664 HydrophobicContact CG-CD 3.57Å; F649-K664 VanDerWaalsContact CG-CE 3.49Å; F649-K664 HydrophobicContact CG-CG 3.47Å; F649-K664 VanDerWaalsContact CG-CG 3.47Å; F649-K664 HydrophobicContact CZ-CD 3.59Å; F649-K664 HydrophobicContact CZ-CG 4.3Å
650F48.4Very low64.2Low150 Ų15093.6 Ų93.666%0.65849%0.493SS*.  trans-59.2106172.5-61.3-80.3000107.9S648 L652S648-F650 PolarHBondContact O-N 2.89Å; S648-F650 VanDerWaalsContact OG-CE2 3.24Å; S648-F650 WeakPolarHBondContact OG-CE2 3.45Å; S648-F650 VanDerWaalsContact OG-CZ 3.28Å; S648-F650 WeakPolarHBondContact OG-CZ 3.14Å; F650-L652 VanDerWaalsContact C-N 3.32Å; F650-L652 PolarHBondContact O-N 2.99Å
651S39.5Very low62.4Low68 Ų6898.9 Ų98.948%0.47652%0.518SS..  trans-63.6108.1157.3-1760000104.9F649 N653F649-S651 PolarHBondContact O-N 3.45Å; S651-N653 PolarHBondContact O-N 3.23Å
652L34.4Very low60.9Low153 Ų153101.8 Ų101.880%0.80153%0.525SS*.  trans-71.463.1170.7-147.2112.1000107.3F650 N654F650-L652 VanDerWaalsContact C-N 3.32Å; F650-L652 PolarHBondContact O-N 2.99Å; L652-N654 VanDerWaalsContact C-N 3.32Å; L652-N654 PolarHBondContact O-N 3.04Å; L652-N654 VanDerWaalsContact O-N 3.07Å
653N38.8Very low59.8Low123 Ų123102.4 Ų102.466%0.65852%0.524SS*.  trans-80.596.7170.9-142.70.9000106.4S651 N655S651-N653 PolarHBondContact O-N 3.23Å; N653-N655 PolarHBondContact O-N 3.01Å
654N41.8Very low58.9Low138 Ų138101.8 Ų101.874%0.73852%0.517SS*.  trans-65.673.8-179.2-156.418.2000109.3L652L652-N654 VanDerWaalsContact C-N 3.32Å; L652-N654 PolarHBondContact O-N 3.04Å; L652-N654 VanDerWaalsContact O-N 3.07Å
655N44.9Very low58.5Low127 Ų12799.3 Ų99.368%0.67951%0.507SS*.SBendtrans-159.1126168.5-81.4-41.2000106.9N653 N657N653-N655 PolarHBondContact O-N 3.01Å; N655-N657 PolarHBondContact O-N 3.07Å
656N51.1Low58.4Low172 Ų17296.7 Ų96.792%0.9249%0.493SS*.SBendtrans-6329.8-170.4-71-30.4000116.8
657N49.7Very low58.6Low138 Ų13893.7 Ų93.774%0.73848%0.483SS*.SBendtrans-116101.8-179.1-72.3-19.4000111.3N655N655-N657 PolarHBondContact O-N 3.07Å
658T47.9Very low59.2Low117 Ų11789.2 Ų89.272%0.71846%0.463SS*.  trans60.6123.8159.857.70000118.3N660T658-N660 PolarHBondContact O-N 3.42Å
659N49.6Very low60.6Low160 Ų16087.8 Ų87.886%0.85645%0.454SS*.  trans-39.557.2165.8-58.4-31000116.9Q661N659-Q661 VanDerWaalsContact C-N 3.27Å; N659-Q661 PolarHBondContact O-N 3.26Å
660N53.3Low62.3Low95 Ų9587 Ų8751%0.50845%0.45SS..  trans-75.787.6168.7-73.5-2.9000107.8T658 Y662T658-N660 PolarHBondContact O-N 3.42Å; N660-Y662 HydrophobicContact CB-CD2 4.09Å; N660-Y662 HydrophobicContact CB-CE2 3.43Å; N660-Y662 VanDerWaalsContact CB-CE2 3.43Å; N660-Y662 PolarHBondContact ND2-OH 3.28Å; N660-Y662 WeakPolarHBondContact O-CD2 3.49Å; N660-Y662 PolarHBondContact O-N 2.88Å
661Q58.1Low64.2Low112 Ų11279.9 Ų79.952%0.52342%0.419SS..  trans-64.2100.1168.4-68.6-175.4-31.400108N659 Y663N659-Q661 VanDerWaalsContact C-N 3.27Å; N659-Q661 PolarHBondContact O-N 3.26Å; Q661-Y663 HydrophobicContact CB-CE1 4.38Å; Q661-Y663 HydrophobicContact CB-CE2 4.39Å; Q661-Y663 PolarHBondContact OE1-OH 2.85Å
662Y62.3Low66.7Low132 Ų13276.7 Ų76.752%0.51840%0.396SS..  trans-83.9129.4171.2-67.3-81.4000109.1F649 N660F649-Y662 CarbonylContact C-O 3.42Å; N660-Y662 HydrophobicContact CB-CD2 4.09Å; N660-Y662 HydrophobicContact CB-CE2 3.43Å; N660-Y662 VanDerWaalsContact CB-CE2 3.43Å; N660-Y662 PolarHBondContact ND2-OH 3.28Å; N660-Y662 WeakPolarHBondContact O-CD2 3.49Å; N660-Y662 PolarHBondContact O-N 2.88Å
663Y73.4Confident69.3Low37 Ų3772.2 Ų72.215%0.14537%0.373CS..  trans-103.5133174-52.6-74.7000108.2P72 W93 Q661 I665P72-Y663 VanDerWaalsContact CD-CZ 3.47Å; P72-Y663 HydrophobicContact CG-CD1 3.52Å; P72-Y663 HydrophobicContact CG-CD2 4.36Å; P72-Y663 HydrophobicContact CG-CE1 3.65Å; P72-Y663 HydrophobicContact CG-CE2 4.45Å; P72-Y663 HydrophobicContact CG-CG 3.9Å; W93-Y663 AromaticContact CZ2-CD2 3.9Å; W93-Y663 HydrophobicContact CZ2-CD2 3.9Å; W93-Y663 HydrophobicContact CZ2-CE2 4.38Å; Q661-Y663 HydrophobicContact CB-CE1 4.38Å; Q661-Y663 HydrophobicContact CB-CE2 4.39Å; Q661-Y663 PolarHBondContact OE1-OH 2.85Å; Y663-I665 PolarHBondContact O-N 3.32Å
664K77.5Confident71.7Confident35 Ų3567.5 Ų67.515%0.15235%0.349CS..  trans-67.4109.4170.6-75.8-171.1-169.4-172.70108.5E475 W523 F649E475-K664 WeakPolarHBondContact OE2-CD 3.12Å; E475-K664 WeakPolarHBondContact OE2-CE 3.37Å; E475-K664 IonicContact OE2-NZ 3.61Å; E475-K664 PolarHBondContact OE2-NZ 3.26Å; W523-K664 VanDerWaalsContact CD1-O 3.31Å; F649-K664 HydrophobicContact CB-CD 4.36Å; F649-K664 HydrophobicContact CB-CG 3.86Å; F649-K664 HydrophobicContact CD1-CD 3.64Å; F649-K664 HydrophobicContact CD1-CG 4.08Å; F649-K664 HydrophobicContact CD2-CB 3.45Å; F649-K664 VanDerWaalsContact CD2-CB 3.45Å; F649-K664 HydrophobicContact CD2-CD 3.55Å; F649-K664 HydrophobicContact CD2-CG 3.32Å; F649-K664 HydrophobicContact CE1-CD 3.62Å; F649-K664 VanDerWaalsContact CE1-CE 3.4Å; F649-K664 HydrophobicContact CE1-CG 4.44Å; F649-K664 HydrophobicContact CE2-CB 3.68Å; F649-K664 HydrophobicContact CE2-CD 3.57Å; F649-K664 HydrophobicContact CE2-CG 3.77Å; F649-K664 HydrophobicContact CG-CB 4.15Å; F649-K664 HydrophobicContact CG-CD 3.57Å; F649-K664 VanDerWaalsContact CG-CE 3.49Å; F649-K664 HydrophobicContact CG-CG 3.47Å; F649-K664 VanDerWaalsContact CG-CG 3.47Å; F649-K664 HydrophobicContact CZ-CD 3.59Å; F649-K664 HydrophobicContact CZ-CG 4.3Å
665I84.2Confident74.1Confident42 Ų4260.9 Ų60.922%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-100.8161.1174.159.7172000110W93 S474 A522 W523 Y663W93-I665 HydrophobicContact CH2-CG2 4.49Å; S474-I665 PolarHBondContact OG-O 2.89Å; A522-I665 CarbonylContact O-C 3.55Å; A522-I665 WeakPolarHBondContact O-CA 3.36Å; W523-I665 HydrophobicContact CB-CG2 4.43Å; Y663-I665 PolarHBondContact O-N 3.32Å
666G89Confident76.4Confident1 Ų155 Ų551%0.0128%0.282CS..EExtended strand (participates in β ladder)trans97.2109.2-179.800000111.1S474 D519 Q520 A522S474-G666 PolarHBondContact N-O 3.42Å; D519-G666 WeakPolarHBondContact O-CA 3.29Å; Q520-G666 VanDerWaalsContact O-CA 3.3Å; Q520-G666 WeakPolarHBondContact O-CA 3.37Å; Q520-G666 PolarHBondContact O-N 2.91Å; A522-G666 PolarHBondContact O-N 2.86Å
667L90.1Very high78.5Confident15 Ų1546.8 Ų46.88%0.07924%0.239CC..EExtended strand (participates in β ladder)trans-122.6129.8179.5-67.5-179.6000109.5C471 F472 D519 A522 T592C471-L667 HydrophobicContact CB-CB 3.57Å; C471-L667 HydrophobicContact CB-CD1 4.46Å; C471-L667 HydrophobicContact CB-CD2 3.94Å; C471-L667 HydrophobicContact CB-CG 4.18Å; F472-L667 WeakPolarHBondContact O-CA 3.4Å; D519-L667 PolarHBondContact N-O 2.91Å; D519-L667 PolarHBondContact O-N 3.22Å; A522-L667 HydrophobicContact CB-CB 4.23Å; A522-L667 HydrophobicContact CB-CD1 3.91Å; A522-L667 HydrophobicContact CB-CG 4.2Å; T592-L667 HydrophobicContact CG2-CD2 4.43Å
668Y91.7Very high80.8Confident8 Ų840.4 Ų40.43%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-134.1129.8-173.7-58.2-101.4000109.5C471 F472 M488 K489 F515 Y518 P670C471-Y668 WeakPolarHBondContact CA-O 3.44Å; F472-Y668 WeakPolarHBondContact CD2-O 3.5Å; F472-Y668 PolarHBondContact N-O 2.78Å; F472-Y668 PolarHBondContact O-N 3.36Å; M488-Y668 HydrophobicContact CG-CD2 4.23Å; M488-Y668 HydrophobicContact CG-CG 4.02Å; K489-Y668 HydrophobicContact CB-CE1 4.31Å; K489-Y668 HydrophobicContact CB-CE2 4.15Å; K489-Y668 WeakPolarHBondContact CB-OH 3.1Å; F515-Y668 HydrophobicContact CE1-CD1 4.35Å; Y518-Y668 AromaticContact CD2-CD1 3.53Å; Y518-Y668 HydrophobicContact CD2-CD1 3.53Å; Y518-Y668 AromaticContact CD2-CE1 3.71Å; Y518-Y668 HydrophobicContact CD2-CE1 3.71Å; Y518-Y668 HydrophobicContact CE1-CE1 4.41Å; Y518-Y668 AromaticContact CE2-CD1 3.53Å; Y518-Y668 HydrophobicContact CE2-CD1 3.53Å; Y518-Y668 AromaticContact CE2-CE1 3.25Å; Y518-Y668 HydrophobicContact CE2-CE1 3.25Å; Y518-Y668 HydrophobicContact CG-CD1 4.36Å; Y518-Y668 HydrophobicContact CG-CE1 4.46Å; Y518-Y668 AromaticContact CZ-CE1 3.63Å; Y668-P670 VanDerWaalsContact C-CD 3.48Å; Y668-P670 WeakPolarHBondContact O-CD 3.43Å
669A91.5Very high83.1Confident3 Ų334.8 Ų34.83%0.02517%0.17CC..EExtended strand (participates in β ladder)trans-122.874175.800000110.6F469 F515 L516 D517F469-A669 HydrophobicContact CB-CB 3.91Å; F515-A669 CarbonylContact C-O 3.52Å; F515-A669 WeakPolarHBondContact CA-O 3.4Å; L516-A669 HydrophobicContact CB-CB 4.13Å; L516-A669 PolarHBondContact N-O 3.02Å; D517-A669 HydrophobicContact CB-CB 4.14Å; D517-A669 PolarHBondContact O-N 2.85Å
670P92.1Very high85.3Confident0 Ų028.3 Ų28.30%014%0.135CC..EExtended strand (participates in β ladder)trans-64.7152.217828-35.2000112.7F472 M488 L491 F515 Y668 M677 C686F472-P670 HydrophobicContact CD2-CG 4.05Å; F472-P670 HydrophobicContact CE2-CG 3.99Å; M488-P670 HydrophobicContact SD-CG 3.87Å; L491-P670 HydrophobicContact CD2-CB 3.86Å; L491-P670 HydrophobicContact CD2-CG 4.08Å; F515-P670 HydrophobicContact CD1-CB 3.98Å; F515-P670 HydrophobicContact CE1-CB 3.72Å; F515-P670 HydrophobicContact CE1-CG 4.38Å; F515-P670 HydrophobicContact CZ-CB 4.24Å; Y668-P670 VanDerWaalsContact C-CD 3.48Å; Y668-P670 WeakPolarHBondContact O-CD 3.43Å; P670-M677 HydrophobicContact CB-CE 4.35Å; P670-M677 HydrophobicContact CB-SD 3.94Å; P670-M677 HydrophobicContact CG-CE 3.6Å; P670-M677 HydrophobicContact CG-SD 3.45Å; P670-M677 WeakPolarHBondContact CG-SD 3.42Å; P670-C686 WeakPolarHBondContact O-CB 3.28Å
671I88.1Confident87.3Confident2 Ų226.3 Ų26.31%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-119.1130.9174.3-49.1172.8000109V512 I513 G514 L516 F687 I700V512-I671 WeakPolarHBondContact CA-O 3.41Å; I513-I671 HydrophobicContact CD1-CB 4.47Å; I513-I671 HydrophobicContact CD1-CG2 3.8Å; I513-I671 HydrophobicContact CG1-CB 3.98Å; I513-I671 HydrophobicContact CG1-CG2 3.83Å; I513-I671 WeakPolarHBondContact CG1-O 3.32Å; I513-I671 PolarHBondContact N-O 2.91Å; G514-I671 PolarHBondContact O-N 3.45Å; L516-I671 HydrophobicContact CB-CD1 4.43Å; L516-I671 HydrophobicContact CB-CG1 4.49Å; L516-I671 HydrophobicContact CD1-CD1 4.34Å; L516-I671 HydrophobicContact CD1-CG1 4.16Å; L516-I671 HydrophobicContact CD2-CD1 3.37Å; L516-I671 HydrophobicContact CD2-CG1 4.09Å; L516-I671 HydrophobicContact CG-CD1 3.42Å; L516-I671 VanDerWaalsContact CG-CD1 3.42Å; L516-I671 HydrophobicContact CG-CG1 3.55Å; I671-F687 HydrophobicContact CG2-CE1 4.47Å; I671-I700 HydrophobicContact CG2-CG2 4.37Å
672T92Very high89.2Confident0 Ų021 Ų210%010%0.099CC..EExtended strand (participates in β ladder)trans-108.5159.9173.762.30000111.6I497 T510 L511 V512 T674 G675 T676 M677 C686I497-T672 HydrophobicContact CD1-CG2 3.79Å; I497-T672 HydrophobicContact CG1-CG2 4.31Å; T510-T672 HydrophobicContact CG2-CG2 3.58Å; L511-T672 VanDerWaalsContact O-CA 3.29Å; L511-T672 WeakPolarHBondContact O-CA 3.49Å; V512-T672 HydrophobicContact CG2-CG2 4.46Å; T672-T674 PolarHBondContact O-N 3.23Å; T672-T674 PolarHBondContact OG1-OG1 3.32Å; T672-G675 PolarHBondContact O-N 2.84Å; T672-G675 VanDerWaalsContact O-N 3.17Å; T672-G675 PolarHBondContact OG1-N 3.44Å; T672-T676 PolarHBondContact OG1-N 3.47Å; T672-T676 PolarHBondContact OG1-O 3.27Å; T672-M677 HydrophobicContact CG2-CG 3.53Å; T672-M677 HydrophobicContact CG2-SD 3.75Å; T672-C686 PolarHBondContact OG1-SG 3.28Å
673D88Confident90.8Very high59 Ų5914.8 Ų14.832%0.3168%0.075SC..SBendtrans-59.8-37.4175.5-168.125.6000111.8L511 I513 K704 K708L511-D673 PolarHBondContact O-N 3.42Å; L511-D673 VanDerWaalsContact O-N 3.07Å; I513-D673 HydrophobicContact CG2-CB 4.47Å; D673-K704 PolarHBondContact O-NZ 3.05Å; D673-K708 VanDerWaalsContact CG-NZ 3.28Å; D673-K708 VanDerWaalsContact OD1-CE 3.22Å; D673-K708 WeakPolarHBondContact OD1-CE 3.35Å; D673-K708 IonicContact OD1-NZ 3.02Å; D673-K708 PolarHBondContact OD1-NZ 2.79Å; D673-K708 WeakPolarHBondContact OD2-CE 3.4Å; D673-K708 IonicContact OD2-NZ 3.86Å; D673-K708 PolarHBondContact OD2-NZ 2.84Å
674T90.3Very high91.9Very high24 Ų2413 Ų1315%0.1477%0.068CC..SBendtrans-74.9-27.2176.851.30000113.4T499 N501 T510 T672 T676T499-T674 HydrophobicContact CG2-CG2 4.2Å; T499-T674 WeakPolarHBondContact CG2-OG1 3.32Å; N501-T674 HydrophobicContact CB-CG2 4.4Å; T510-T674 WeakPolarHBondContact OG1-CG2 3.38Å; T510-T674 PolarHBondContact OG1-N 2.78Å; T510-T674 PolarHBondContact OG1-OG1 2.9Å; T510-T674 VanDerWaalsContact OG1-OG1 3.04Å; T672-T674 PolarHBondContact O-N 3.23Å; T672-T674 PolarHBondContact OG1-OG1 3.32Å; T674-T676 VanDerWaalsContact C-N 3.3Å; T674-T676 PolarHBondContact OG1-O 2.99Å; T674-T676 PolarHBondContact OG1-OG1 3.47Å
675G90.7Very high92.6Very high0 Ų011.3 Ų11.30%06%0.061CC..SBendtrans824.5-17500000114.4T672 C686 H693T672-G675 PolarHBondContact O-N 2.84Å; T672-G675 VanDerWaalsContact O-N 3.17Å; T672-G675 PolarHBondContact OG1-N 3.44Å; G675-C686 WeakPolarHBondContact O-CB 3.34Å; G675-C686 PolarHBondContact O-N 2.77Å; G675-C686 PolarHBondContact O-SG 3.33Å; G675-C686 VanDerWaalsContact O-SG 3.42Å; G675-H693 PolarHBondContact O-CE1 3.33Å; G675-H693 VanDerWaalsContact O-CE1 3.29Å
676T94Very high93Very high3 Ų39.5 Ų9.52%0.0185%0.052CC..EExtended strand (participates in β ladder)trans-122154.8176.652.50000110.4T499 Q500 P502 F598 T672 T674 V684 C686T499-T676 PolarHBondContact OG1-O 2.81Å; T499-T676 PolarHBondContact OG1-OG1 3.47Å; Q500-T676 PolarHBondContact O-OG1 3.16Å; P502-T676 HydrophobicContact CB-CG2 4.22Å; P502-T676 HydrophobicContact CG-CG2 4.22Å; F598-T676 HydrophobicContact CE2-CG2 3.96Å; F598-T676 HydrophobicContact CZ-CG2 3.99Å; T672-T676 PolarHBondContact OG1-N 3.47Å; T672-T676 PolarHBondContact OG1-O 3.27Å; T674-T676 VanDerWaalsContact C-N 3.3Å; T674-T676 PolarHBondContact OG1-O 2.99Å; T674-T676 PolarHBondContact OG1-OG1 3.47Å; T676-V684 WeakPolarHBondContact CA-O 3.32Å; T676-C686 VanDerWaalsContact C-SG 3.54Å; T676-C686 PolarHBondContact N-SG 2.89Å
677M95.2Very high93Very high0 Ų09.6 Ų9.60%05%0.052CC..EExtended strand (participates in β ladder)trans-141.9158176-82.5179.162.400111.5V478 M488 L491 I497 T499 P670 T672 V679 V684 C686V478-M677 HydrophobicContact CG1-CE 3.94Å; M488-M677 HydrophobicContact CE-CE 4.03Å; M488-M677 HydrophobicContact SD-CE 4.35Å; L491-M677 HydrophobicContact CD2-CE 4.09Å; I497-M677 HydrophobicContact CD1-CE 3.58Å; I497-M677 HydrophobicContact CD1-CG 3.68Å; I497-M677 HydrophobicContact CD1-SD 3.87Å; T499-M677 WeakPolarHBondContact OG1-CA 3.42Å; T499-M677 PolarHBondContact OG1-N 3.3Å; P670-M677 HydrophobicContact CB-CE 4.35Å; P670-M677 HydrophobicContact CB-SD 3.94Å; P670-M677 HydrophobicContact CG-CE 3.6Å; P670-M677 HydrophobicContact CG-SD 3.45Å; P670-M677 WeakPolarHBondContact CG-SD 3.42Å; T672-M677 HydrophobicContact CG2-CG 3.53Å; T672-M677 HydrophobicContact CG2-SD 3.75Å; M677-V679 HydrophobicContact CB-CG2 4.16Å; M677-V679 HydrophobicContact CE-CG2 4.16Å; M677-V684 HydrophobicContact CB-CG2 4.13Å; M677-V684 PolarHBondContact N-O 3.36Å; M677-V684 WeakPolarHBondContact O-CG2 3.29Å; M677-V684 PolarHBondContact O-N 2.96Å; M677-V684 VanDerWaalsContact O-O 3.13Å; M677-C686 WeakPolarHBondContact CG-SG 3.2Å
678I96.9Very high92.6Very high3 Ų39.4 Ų9.42%0.0155%0.053CC..EExtended strand (participates in β ladder)trans-108.8115.7167.5-66.1163.9000107.2I498 I507 Y628 V682 L683I498-I678 HydrophobicContact CG2-CD1 4.29Å; I507-I678 HydrophobicContact CD1-CD1 4.42Å; Y628-I678 HydrophobicContact CD1-CD1 4.24Å; Y628-I678 HydrophobicContact CD1-CG2 4.18Å; Y628-I678 HydrophobicContact CD2-CD1 4.01Å; Y628-I678 HydrophobicContact CG-CD1 3.74Å; Y628-I678 HydrophobicContact CG-CG2 4.24Å; I678-V682 CarbonylContact C-O 3.55Å; I678-V682 WeakPolarHBondContact CA-O 3.47Å; I678-L683 HydrophobicContact CG1-CD1 4.1Å
679V96.8Very high91.8Very high0 Ų010.3 Ų10.30%06%0.056CC..EExtended strand (participates in β ladder)trans-126.4130.4-177.2-177.40000108.5F472 K477 V478 M488 I589 M677 N681 V682 V684F472-V679 HydrophobicContact CD1-CB 4.33Å; F472-V679 HydrophobicContact CD1-CG1 3.96Å; F472-V679 HydrophobicContact CD1-CG2 4.06Å; F472-V679 HydrophobicContact CE1-CB 4.17Å; F472-V679 HydrophobicContact CE1-CG1 4.3Å; F472-V679 HydrophobicContact CE1-CG2 3.71Å; F472-V679 HydrophobicContact CE2-CG2 4.33Å; F472-V679 HydrophobicContact CZ-CG2 3.83Å; K477-V679 CarbonylContact O-C 3.58Å; K477-V679 WeakPolarHBondContact O-CA 3.38Å; V478-V679 HydrophobicContact CG1-CG2 3.96Å; M488-V679 HydrophobicContact CE-CG1 3.96Å; M488-V679 HydrophobicContact CE-CG2 3.8Å; I589-V679 HydrophobicContact CD1-CB 4.27Å; I589-V679 HydrophobicContact CD1-CG1 4.49Å; I589-V679 WeakPolarHBondContact CD1-O 3.29Å; M677-V679 HydrophobicContact CB-CG2 4.16Å; M677-V679 HydrophobicContact CE-CG2 4.16Å; V679-N681 PolarHBondContact O-N 3.35Å; V679-N681 VanDerWaalsContact O-N 3.17Å; V679-V682 PolarHBondContact N-O 3.32Å; V679-V682 PolarHBondContact O-N 2.9Å; V679-V684 HydrophobicContact CB-CG2 4.08Å; V679-V684 HydrophobicContact CG2-CG2 3.69Å
680D95.8Very high91.2Very high23 Ų2310.6 Ų10.612%0.1236%0.057CC..THydrogen-bonded Turntrans48.144.2-173.9-58.7-36.5000110.7S476 K477 Y531 I589 V682S476-D680 WeakPolarHBondContact CA-OD1 3.49Å; S476-D680 PolarHBondContact OG-OD2 2.75Å; K477-D680 PolarHBondContact N-OD1 2.74Å; K477-D680 PolarHBondContact O-N 3.09Å; Y531-D680 PolarHBondContact OH-O 3.16Å; I589-D680 HydrophobicContact CB-CB 4.2Å; I589-D680 HydrophobicContact CG1-CB 4.21Å; D680-V682 PolarHBondContact O-N 3.43Å
681N95.7Very high90.6Very high53 Ų5312.5 Ų12.528%0.2837%0.071SC..THydrogen-bonded Turntrans62.6-0.5-173.8-63.266.8000116.2V627 Y628 V679V627-N681 CarbonylContact C-O 3.6Å; V627-N681 VanDerWaalsContact CA-O 3.24Å; V627-N681 WeakPolarHBondContact CA-O 3.44Å; V627-N681 HydrophobicContact CG1-CB 4Å; V627-N681 WeakPolarHBondContact CG1-O 3.39Å; Y628-N681 PolarHBondContact N-O 3.1Å; Y628-N681 PolarHBondContact O-ND2 3.33Å; V679-N681 PolarHBondContact O-N 3.35Å; V679-N681 VanDerWaalsContact O-N 3.17Å
682V97.1Very high90.4Very high0 Ų015.8 Ų15.80%09%0.088CC..EExtended strand (participates in β ladder)trans-97.7138.4179.7-178.40000111.2Y531 I589 I597 I625 V627 I678 V679 D680 V684Y531-V682 HydrophobicContact CD1-CG2 4Å; Y531-V682 HydrophobicContact CE1-CG2 3.28Å; I589-V682 HydrophobicContact CB-CB 4.47Å; I589-V682 HydrophobicContact CB-CG2 4.04Å; I589-V682 HydrophobicContact CD1-CB 3.85Å; I589-V682 HydrophobicContact CD1-CG1 4.32Å; I589-V682 HydrophobicContact CD1-CG2 4.36Å; I589-V682 HydrophobicContact CG2-CB 4.46Å; I589-V682 HydrophobicContact CG2-CG2 4.01Å; I597-V682 HydrophobicContact CD1-CG1 3.83Å; I597-V682 HydrophobicContact CG1-CG1 4.27Å; I625-V682 HydrophobicContact CD1-CG1 4.04Å; I625-V682 HydrophobicContact CD1-CG2 4.15Å; V627-V682 HydrophobicContact CG2-CG2 4.31Å; I678-V682 CarbonylContact C-O 3.55Å; I678-V682 WeakPolarHBondContact CA-O 3.47Å; V679-V682 PolarHBondContact N-O 3.32Å; V679-V682 PolarHBondContact O-N 2.9Å; D680-V682 PolarHBondContact O-N 3.43Å; V682-V684 HydrophobicContact CG1-CG1 4.3Å
683L96.4Very high90Very high2 Ų216.6 Ų16.61%0.019%0.092CC..EExtended strand (participates in β ladder)trans-74.5124.4172.7-17774.7000111.2Q500 F598 K611 F626 L635 I678Q500-L683 HydrophobicContact CB-CD1 3.77Å; Q500-L683 HydrophobicContact CB-CD2 4.44Å; F598-L683 HydrophobicContact CB-CD2 4.49Å; F598-L683 HydrophobicContact CD2-CD2 3.87Å; F598-L683 HydrophobicContact CD2-CG 3.76Å; F598-L683 HydrophobicContact CE2-CD2 4.43Å; F598-L683 HydrophobicContact CE2-CG 4.23Å; F598-L683 HydrophobicContact CG-CD2 4.35Å; K611-L683 HydrophobicContact CD-CD2 4.39Å; F626-L683 HydrophobicContact CB-CB 4.09Å; F626-L683 HydrophobicContact CB-CD2 4.38Å; F626-L683 PolarHBondContact O-N 3.26Å; L635-L683 HydrophobicContact CD1-CB 4.16Å; L635-L683 HydrophobicContact CD2-CD2 4.12Å; I678-L683 HydrophobicContact CG1-CD1 4.1Å
684V96Very high89.8Confident0 Ų020.2 Ų20.20%011%0.107CC..EExtended strand (participates in β ladder)trans-135.2161.6-177.4-65.60000111.2F472 I589 L591 I597 F598 T676 M677 V679 V682F472-V684 HydrophobicContact CE1-CB 4.38Å; F472-V684 HydrophobicContact CE1-CG2 3.72Å; F472-V684 HydrophobicContact CZ-CG2 3.68Å; I589-V684 HydrophobicContact CD1-CG1 3.69Å; L591-V684 HydrophobicContact CD1-CG1 4.18Å; L591-V684 HydrophobicContact CD2-CG1 4.49Å; I597-V684 HydrophobicContact CB-CG1 4.49Å; I597-V684 HydrophobicContact CG1-CG1 4.32Å; F598-V684 VanDerWaalsContact CE2-C 3.49Å; T676-V684 WeakPolarHBondContact CA-O 3.32Å; M677-V684 HydrophobicContact CB-CG2 4.13Å; M677-V684 PolarHBondContact N-O 3.36Å; M677-V684 WeakPolarHBondContact O-CG2 3.29Å; M677-V684 PolarHBondContact O-N 2.96Å; M677-V684 VanDerWaalsContact O-O 3.13Å; V679-V684 HydrophobicContact CB-CG2 4.08Å; V679-V684 HydrophobicContact CG2-CG2 3.69Å; V682-V684 HydrophobicContact CG1-CG1 4.3Å
685S94Very high89.5Confident0 Ų021.4 Ų21.40%011%0.112CC..EExtended strand (participates in β ladder)trans-82.7150.6172-164.10000110.2H595 L596 F687 H693H595-S685 PolarHBondContact CE1-O 2.8Å; H595-S685 PolarHBondContact NE2-O 3.42Å; L596-S685 PolarHBondContact O-N 3.46Å; S685-F687 PolarHBondContact O-N 3Å; S685-F687 PolarHBondContact OG-N 2.79Å; S685-H693 PolarHBondContact OG-ND1 3.47Å
686C91.8Very high89.1Confident4 Ų421.5 Ų21.53%0.02711%0.113CC..EExtended strand (participates in β ladder)trans-75-3.8166.5-58.80000113.3P670 T672 G675 T676 M677P670-C686 WeakPolarHBondContact O-CB 3.28Å; T672-C686 PolarHBondContact OG1-SG 3.28Å; G675-C686 WeakPolarHBondContact O-CB 3.34Å; G675-C686 PolarHBondContact O-N 2.77Å; G675-C686 PolarHBondContact O-SG 3.33Å; G675-C686 VanDerWaalsContact O-SG 3.42Å; T676-C686 VanDerWaalsContact C-SG 3.54Å; T676-C686 PolarHBondContact N-SG 2.89Å; M677-C686 WeakPolarHBondContact CG-SG 3.2Å
687F88Confident88.7Confident2 Ų222.8 Ų22.81%0.00912%0.122CC..EExtended strand (participates in β ladder)trans-112.4150.9-171.4-51.3-51.5000109.9L516 L596 I671 S685 H693 A696 I700L516-F687 HydrophobicContact CD1-CD1 4.49Å; L596-F687 HydrophobicContact CD1-CB 4.48Å; L596-F687 WeakPolarHBondContact CD1-O 3.3Å; L596-F687 WeakPolarHBondContact CG-O 3.23Å; I671-F687 HydrophobicContact CG2-CE1 4.47Å; S685-F687 PolarHBondContact O-N 3Å; S685-F687 PolarHBondContact OG-N 2.79Å; F687-H693 AromaticContact CD2-ND1 3.84Å; F687-A696 HydrophobicContact CB-CB 3.72Å; F687-A696 HydrophobicContact CD1-CB 4.41Å; F687-A696 HydrophobicContact CD2-CB 3.55Å; F687-A696 HydrophobicContact CE2-CB 4.27Å; F687-A696 HydrophobicContact CG-CB 3.63Å; F687-I700 HydrophobicContact CD1-CD1 3.46Å; F687-I700 VanDerWaalsContact CD1-CD1 3.46Å; F687-I700 HydrophobicContact CE1-CB 4.31Å; F687-I700 HydrophobicContact CE1-CD1 3.31Å; F687-I700 HydrophobicContact CE1-CG1 4.35Å; F687-I700 HydrophobicContact CE1-CG2 4.42Å; F687-I700 HydrophobicContact CZ-CD1 4.34Å
688A81.7Confident88.2Confident11 Ų1129.6 Ų29.69%0.09115%0.152CC..EExtended strand (participates in β ladder)trans-136.2173.817600000109.3D594 I690D594-A688 WeakPolarHBondContact O-CB 3.25Å; A688-I690 PolarHBondContact O-N 3.4Å
689Y75.7Confident87.5Confident27 Ų2730.9 Ų30.911%0.10616%0.159CC..SBendtrans67.5-30.3177-165.5-109.3000116.8W468 D594 Y615 Y744 F752 Y753W468-Y689 AromaticContact CD2-CD1 3.91Å; W468-Y689 HydrophobicContact CD2-CD1 3.91Å; W468-Y689 HydrophobicContact CD2-CE1 4.26Å; W468-Y689 AromaticContact CE2-CD1 3.46Å; W468-Y689 VanDerWaalsContact CE2-CD1 3.46Å; W468-Y689 AromaticContact CE2-CE1 3.36Å; W468-Y689 HydrophobicContact CE3-CD1 4.48Å; W468-Y689 HydrophobicContact CG-CD1 4.29Å; W468-Y689 HydrophobicContact CH2-CD1 4.28Å; W468-Y689 HydrophobicContact CH2-CE1 4.38Å; W468-Y689 AromaticContact CZ2-CD1 3.69Å; W468-Y689 HydrophobicContact CZ2-CD1 3.69Å; W468-Y689 AromaticContact CZ2-CE1 3.45Å; W468-Y689 HydrophobicContact CZ2-CE1 3.45Å; W468-Y689 VanDerWaalsContact CZ2-CE1 3.45Å; W468-Y689 AromaticContact NE1-CD1 3.53Å; W468-Y689 AromaticContact NE1-CE1 3.18Å; W468-Y689 AromaticContact NE1-CZ 3.65Å; W468-Y689 WeakPolarHBondContact O-CB 3.37Å; D594-Y689 PolarHBondContact O-N 3.29Å; Y615-Y689 PolarHBondContact OH-O 3.05Å; Y689-Y744 PolarHBondContact OH-OH 3.01Å; Y689-F752 HydrophobicContact CD1-CB 4.44Å; Y689-F752 AromaticContact CD1-CD1 3.57Å; Y689-F752 HydrophobicContact CD1-CD1 3.57Å; Y689-F752 HydrophobicContact CD1-CE1 4.29Å; Y689-F752 HydrophobicContact CD1-CG 4.38Å; Y689-F752 HydrophobicContact CE1-CB 3.71Å; Y689-F752 AromaticContact CE1-CD1 3.11Å; Y689-F752 HydrophobicContact CE1-CD1 3.11Å; Y689-F752 AromaticContact CE1-CE1 3.86Å; Y689-F752 HydrophobicContact CE1-CE1 3.86Å; Y689-F752 AromaticContact CE1-CG 3.61Å; Y689-F752 HydrophobicContact CE1-CG 3.61Å; Y689-F752 HydrophobicContact CE2-CB 4.27Å; Y689-F752 AromaticContact CZ-CD1 3.93Å; Y689-F752 AromaticContact CZ-CG 3.96Å; Y689-F752 CarbonylContact O-C 3.59Å; Y689-F752 WeakPolarHBondContact O-CA 3.37Å; Y689-Y753 WeakPolarHBondContact CE2-O 3.29Å; Y689-Y753 PolarHBondContact O-N 2.98Å
690I79.2Confident86.7Confident9 Ų931.5 Ų31.55%0.04616%0.162CC..BIsolated β-bridgetrans-104.4110.9176.6-59177.9000109.1L596 A688 N692 L695 A696 I699L596-I690 WeakPolarHBondContact CD1-O 3.34Å; A688-I690 PolarHBondContact O-N 3.4Å; I690-N692 PolarHBondContact O-N 2.91Å; I690-L695 HydrophobicContact CG2-CB 4.42Å; I690-L695 HydrophobicContact CG2-CD2 4.16Å; I690-L695 HydrophobicContact CG2-CG 4.36Å; I690-A696 HydrophobicContact CB-CB 4.15Å; I690-A696 HydrophobicContact CD1-CB 4.43Å; I690-A696 HydrophobicContact CG2-CB 4.24Å; I690-I699 HydrophobicContact CD1-CD1 3.47Å; I690-I699 VanDerWaalsContact CD1-CD1 3.47Å
691S80.3Confident86.1Confident41 Ų4134.8 Ų34.829%0.28718%0.179SC..SBendtrans-54.7-30.9-176.149.50000114.8Y615 H751Y615-S691 WeakPolarHBondContact OH-CA 3.35Å; Y615-S691 WeakPolarHBondContact OH-CB 3.27Å; Y615-S691 PolarHBondContact OH-N 2.84Å; S691-H751 PolarHBondContact N-O 3.14Å; S691-H751 VanDerWaalsContact N-O 3.14Å; S691-H751 PolarHBondContact OG-O 3.45Å; S691-H751 VanDerWaalsContact OG-O 3.06Å
692N82.6Confident85.5Confident70 Ų7035.2 Ų35.237%0.37418%0.184SC..  trans-94.6109.7179.7-175.4-21.3000111.6I690 Q694 L695 A696I690-N692 PolarHBondContact O-N 2.91Å; N692-Q694 VanDerWaalsContact C-N 3.34Å; N692-Q694 PolarHBondContact O-N 3.01Å; N692-Q694 WeakPolarHBondContact OD1-CB 3.22Å; N692-Q694 PolarHBondContact OD1-N 2.89Å; N692-L695 HydrophobicContact CB-CB 3.88Å; N692-L695 PolarHBondContact O-N 3.44Å; N692-L695 PolarHBondContact OD1-N 2.69Å; N692-A696 PolarHBondContact O-N 2.74Å
693H84.3Confident84.5Confident18 Ų1836.9 Ų36.98%0.08319%0.191CC..Hα-helixtrans-54.9-43176.9173.884.2000113.7F598 A613 G675 S685 F687 A696 S697F598-H693 AromaticContact CZ-ND1 3.85Å; A613-H693 HydrophobicContact CB-CB 4.17Å; G675-H693 PolarHBondContact O-CE1 3.33Å; G675-H693 VanDerWaalsContact O-CE1 3.29Å; S685-H693 PolarHBondContact OG-ND1 3.47Å; F687-H693 AromaticContact CD2-ND1 3.84Å; H693-A696 PolarHBondContact O-N 2.87Å; H693-S697 WeakPolarHBondContact O-CB 3.23Å; H693-S697 PolarHBondContact O-N 3.48Å
694Q83.4Confident83.8Confident135 Ų13537.4 Ų37.463%0.63119%0.193SC*.Hα-helixtrans-67.2-40.8-178.7-66.7-178.2-29.500111.1N692 S697 F698N692-Q694 VanDerWaalsContact C-N 3.34Å; N692-Q694 PolarHBondContact O-N 3.01Å; N692-Q694 WeakPolarHBondContact OD1-CB 3.22Å; N692-Q694 PolarHBondContact OD1-N 2.89Å; Q694-S697 PolarHBondContact O-N 3.1Å; Q694-F698 PolarHBondContact O-N 2.92Å
695L83.8Confident83.1Confident48 Ų4842.3 Ų42.325%0.25122%0.219SC..Hα-helixtrans-64.2-44175.6-17861.4000111.3I690 N692 S697 F698 I699 L747I690-L695 HydrophobicContact CG2-CB 4.42Å; I690-L695 HydrophobicContact CG2-CD2 4.16Å; I690-L695 HydrophobicContact CG2-CG 4.36Å; N692-L695 HydrophobicContact CB-CB 3.88Å; N692-L695 PolarHBondContact O-N 3.44Å; N692-L695 PolarHBondContact OD1-N 2.69Å; L695-S697 VanDerWaalsContact C-N 3.32Å; L695-S697 PolarHBondContact O-N 2.82Å; L695-F698 WeakPolarHBondContact O-CB 3.37Å; L695-F698 PolarHBondContact O-N 2.88Å; L695-I699 HydrophobicContact CD1-CD1 4.31Å; L695-I699 HydrophobicContact CG-CD1 4Å; L695-I699 WeakPolarHBondContact O-CG1 3.41Å; L695-I699 PolarHBondContact O-N 2.73Å; L695-L747 HydrophobicContact CD2-CD1 4.04Å; L695-L747 HydrophobicContact CD2-CD2 3.86Å
696A83.3Confident82.4Confident3 Ų345.3 Ų45.33%0.02523%0.234CC..Hα-helixtrans-60.6-4217600000112F687 I690 N692 H693 F698 I699 I700F687-A696 HydrophobicContact CB-CB 3.72Å; F687-A696 HydrophobicContact CD1-CB 4.41Å; F687-A696 HydrophobicContact CD2-CB 3.55Å; F687-A696 HydrophobicContact CE2-CB 4.27Å; F687-A696 HydrophobicContact CG-CB 3.63Å; I690-A696 HydrophobicContact CB-CB 4.15Å; I690-A696 HydrophobicContact CD1-CB 4.43Å; I690-A696 HydrophobicContact CG2-CB 4.24Å; N692-A696 PolarHBondContact O-N 2.74Å; H693-A696 PolarHBondContact O-N 2.87Å; A696-F698 VanDerWaalsContact C-N 3.33Å; A696-F698 PolarHBondContact O-N 2.85Å; A696-I699 PolarHBondContact O-N 2.95Å; A696-I700 PolarHBondContact O-N 2.96Å; A696-I700 VanDerWaalsContact O-N 3.15Å
697S84.9Confident81.6Confident29 Ų2946.9 Ų46.920%0.20324%0.24CC..Hα-helixtrans-62.9-39.2175.5-160.60000112.3H693 Q694 L695 I700 L701 K704H693-S697 WeakPolarHBondContact O-CB 3.23Å; H693-S697 PolarHBondContact O-N 3.48Å; Q694-S697 PolarHBondContact O-N 3.1Å; L695-S697 VanDerWaalsContact C-N 3.32Å; L695-S697 PolarHBondContact O-N 2.82Å; S697-I700 PolarHBondContact O-N 3.43Å; S697-L701 PolarHBondContact O-N 2.99Å; S697-L701 VanDerWaalsContact O-N 3.11Å; S697-K704 PolarHBondContact OG-NZ 2.84Å
698F85.5Confident81.1Confident144 Ų14451.7 Ų51.763%0.63226%0.261SS*.Hα-helixtrans-65.4-43.2175.4-178.5-98.6000112.2Q694 L695 A696 I700 L701Q694-F698 PolarHBondContact O-N 2.92Å; L695-F698 WeakPolarHBondContact O-CB 3.37Å; L695-F698 PolarHBondContact O-N 2.88Å; A696-F698 VanDerWaalsContact C-N 3.33Å; A696-F698 PolarHBondContact O-N 2.85Å; F698-I700 VanDerWaalsContact C-N 3.28Å; F698-I700 PolarHBondContact O-N 2.8Å; F698-L701 HydrophobicContact CD2-CD2 4.45Å; F698-L701 WeakPolarHBondContact O-CB 3.34Å; F698-L701 PolarHBondContact O-N 3.39Å; F698-L701 VanDerWaalsContact O-N 3.13Å
699I81.2Confident81.1Confident29 Ų2955.4 Ų55.415%0.14928%0.278CS..Hα-helixtrans-61.4-37.5178.6-73.3164.2000111.6I690 L695 A696 L701 P702 I739 T743I690-I699 HydrophobicContact CD1-CD1 3.47Å; I690-I699 VanDerWaalsContact CD1-CD1 3.47Å; L695-I699 HydrophobicContact CD1-CD1 4.31Å; L695-I699 HydrophobicContact CG-CD1 4Å; L695-I699 WeakPolarHBondContact O-CG1 3.41Å; L695-I699 PolarHBondContact O-N 2.73Å; A696-I699 PolarHBondContact O-N 2.95Å; I699-L701 VanDerWaalsContact C-N 3.35Å; I699-P702 WeakPolarHBondContact O-CD 3.47Å; I699-I739 HydrophobicContact CG2-CD1 3.98Å; I699-I739 HydrophobicContact CG2-CG1 4.48Å; I699-I739 HydrophobicContact CG2-CG2 3.31Å; I699-I739 WeakPolarHBondContact O-CD1 3.37Å; I699-T743 HydrophobicContact CD1-CG2 3.95Å; I699-T743 HydrophobicContact CG1-CG2 4.33Å; I699-T743 HydrophobicContact CG2-CG2 4.13Å
700I80.7Confident81Confident13 Ų1360.5 Ų60.57%0.06730%0.301CS..Hα-helixtrans-86.1-6.2179.9-70.3167.1000112.3L516 I671 F687 A696 S697 F698 P702 W703 K704L516-I700 HydrophobicContact CD1-CD1 4.18Å; L516-I700 HydrophobicContact CD2-CD1 4.01Å; I671-I700 HydrophobicContact CG2-CG2 4.37Å; F687-I700 HydrophobicContact CD1-CD1 3.46Å; F687-I700 VanDerWaalsContact CD1-CD1 3.46Å; F687-I700 HydrophobicContact CE1-CB 4.31Å; F687-I700 HydrophobicContact CE1-CD1 3.31Å; F687-I700 HydrophobicContact CE1-CG1 4.35Å; F687-I700 HydrophobicContact CE1-CG2 4.42Å; F687-I700 HydrophobicContact CZ-CD1 4.34Å; A696-I700 PolarHBondContact O-N 2.96Å; A696-I700 VanDerWaalsContact O-N 3.15Å; S697-I700 PolarHBondContact O-N 3.43Å; F698-I700 VanDerWaalsContact C-N 3.28Å; F698-I700 PolarHBondContact O-N 2.8Å; I700-P702 VanDerWaalsContact C-CD 3.45Å; I700-W703 HydrophobicContact CG2-CB 4.29Å; I700-W703 WeakPolarHBondContact O-CB 3.45Å; I700-W703 PolarHBondContact O-N 2.95Å; I700-K704 HydrophobicContact CG2-CG 4.26Å; I700-K704 PolarHBondContact O-N 3.15Å; I700-K704 VanDerWaalsContact O-N 3.13Å
701L83.8Confident80.7Confident93 Ų9363.8 Ų63.849%0.48732%0.318SS..Hα-helixtrans-53.4-42.2-178.8-173.965000114.4S697 F698 I699 W703 K704 L705S697-L701 PolarHBondContact O-N 2.99Å; S697-L701 VanDerWaalsContact O-N 3.11Å; F698-L701 HydrophobicContact CD2-CD2 4.45Å; F698-L701 WeakPolarHBondContact O-CB 3.34Å; F698-L701 PolarHBondContact O-N 3.39Å; F698-L701 VanDerWaalsContact O-N 3.13Å; I699-L701 VanDerWaalsContact C-N 3.35Å; L701-W703 VanDerWaalsContact C-N 3.28Å; L701-W703 PolarHBondContact O-N 2.77Å; L701-K704 WeakPolarHBondContact O-CB 3.45Å; L701-K704 PolarHBondContact O-N 3.03Å; L701-L705 PolarHBondContact O-N 3.4Å
702P81.9Confident80.5Confident61 Ų6166.9 Ų66.940%0.39633%0.327SS..Hα-helixtrans-61.5-36.3177.1-21.133.1000112.6I699 I700 L705 I706 F735I699-P702 WeakPolarHBondContact O-CD 3.47Å; I700-P702 VanDerWaalsContact C-CD 3.45Å; P702-L705 PolarHBondContact O-N 3.39Å; P702-I706 VanDerWaalsContact O-CG1 3.3Å; P702-I706 WeakPolarHBondContact O-CG1 3.33Å; P702-I706 PolarHBondContact O-N 2.83Å; P702-F735 HydrophobicContact CB-CZ 3.89Å; P702-F735 HydrophobicContact CG-CZ 4.38Å
703W76Confident80Confident36 Ų3667 Ų6714%0.13633%0.327CS..Hα-helixtrans-65.9-43.1175.4-172.5-102.7000111.7I700 L701 L705 I706 Y707 P733 F735I700-W703 HydrophobicContact CG2-CB 4.29Å; I700-W703 WeakPolarHBondContact O-CB 3.45Å; I700-W703 PolarHBondContact O-N 2.95Å; L701-W703 VanDerWaalsContact C-N 3.28Å; L701-W703 PolarHBondContact O-N 2.77Å; W703-L705 VanDerWaalsContact C-N 3.27Å; W703-L705 PolarHBondContact O-N 3.27Å; W703-I706 PolarHBondContact O-N 3.49Å; W703-Y707 PolarHBondContact O-N 2.77Å; W703-P733 HydrophobicContact CH2-CB 3.72Å; W703-P733 HydrophobicContact CH2-CG 4.18Å; W703-P733 HydrophobicContact CZ2-CB 4.1Å; W703-P733 HydrophobicContact CZ2-CG 4.05Å; W703-P733 HydrophobicContact CZ3-CB 4.24Å; W703-F735 HydrophobicContact CB-CD1 4.13Å; W703-F735 HydrophobicContact CB-CE1 3.77Å; W703-F735 HydrophobicContact CD2-CD1 4.14Å; W703-F735 HydrophobicContact CE3-CB 3.9Å; W703-F735 AromaticContact CE3-CD1 3.44Å; W703-F735 HydrophobicContact CE3-CD1 3.44Å; W703-F735 VanDerWaalsContact CE3-CD1 3.44Å; W703-F735 HydrophobicContact CE3-CE1 4.18Å; W703-F735 AromaticContact CE3-CG 3.81Å; W703-F735 HydrophobicContact CE3-CG 3.81Å; W703-F735 HydrophobicContact CG-CD1 4.46Å; W703-F735 HydrophobicContact CZ3-CB 3.75Å; W703-F735 HydrophobicContact CZ3-CD1 4.2Å; W703-F735 HydrophobicContact CZ3-CG 4.18Å
704K82.2Confident78.9Confident12 Ų1271.4 Ų71.45%0.05235%0.346CS..Hα-helixtrans-58.3-41.9174.6-62.3-172.1174.9-178.40111.3I513 D673 S697 I700 L701 Y707 K708I513-K704 HydrophobicContact CD1-CB 4.38Å; I513-K704 HydrophobicContact CD1-CD 4.48Å; I513-K704 HydrophobicContact CD1-CG 3.68Å; D673-K704 PolarHBondContact O-NZ 3.05Å; S697-K704 PolarHBondContact OG-NZ 2.84Å; I700-K704 HydrophobicContact CG2-CG 4.26Å; I700-K704 PolarHBondContact O-N 3.15Å; I700-K704 VanDerWaalsContact O-N 3.13Å; L701-K704 WeakPolarHBondContact O-CB 3.45Å; L701-K704 PolarHBondContact O-N 3.03Å; K704-Y707 PolarHBondContact O-N 3.44Å; K704-K708 WeakPolarHBondContact O-CG 3.42Å; K704-K708 PolarHBondContact O-N 3.06Å
705L82.1Confident78Confident104 Ų10471 Ų7155%0.54535%0.345SS..Hα-helixtrans-66.3-43.9179.1-174.864.2000111.8L701 P702 W703 Y707 K708 L709L701-L705 PolarHBondContact O-N 3.4Å; P702-L705 PolarHBondContact O-N 3.39Å; W703-L705 VanDerWaalsContact C-N 3.27Å; W703-L705 PolarHBondContact O-N 3.27Å; L705-Y707 PolarHBondContact O-N 3.19Å; L705-K708 PolarHBondContact O-N 3.23Å; L705-L709 WeakPolarHBondContact O-CB 3.28Å; L705-L709 PolarHBondContact O-N 2.82Å
706I77.7Confident76.9Confident62 Ų6275.4 Ų75.432%0.31836%0.362SS..Hα-helixtrans-58.9-47.9176.2-71.8165.4000110.4P702 W703 K708 L709 F710P702-I706 VanDerWaalsContact O-CG1 3.3Å; P702-I706 WeakPolarHBondContact O-CG1 3.33Å; P702-I706 PolarHBondContact O-N 2.83Å; W703-I706 PolarHBondContact O-N 3.49Å; I706-K708 PolarHBondContact O-N 3.18Å; I706-L709 WeakPolarHBondContact O-CB 3.32Å; I706-L709 PolarHBondContact O-N 3.37Å; I706-F710 HydrophobicContact CG2-CD2 3.52Å; I706-F710 HydrophobicContact CG2-CE2 3.47Å; I706-F710 VanDerWaalsContact CG2-CE2 3.47Å; I706-F710 VanDerWaalsContact O-CD2 3.23Å; I706-F710 WeakPolarHBondContact O-CD2 3.26Å; I706-F710 PolarHBondContact O-N 3.37Å
707Y75.7Confident75.3Confident37 Ų3780.8 Ų80.815%0.14539%0.387CS..Hα-helixtrans-61.4-44.7178-179-97.4000112.4I493 L511 I513 W703 K704 L705 L709 F710 I711I493-Y707 HydrophobicContact CG2-CE2 4.22Å; L511-Y707 HydrophobicContact CD2-CE1 3.79Å; I513-Y707 HydrophobicContact CB-CD1 3.76Å; I513-Y707 HydrophobicContact CB-CE1 3.81Å; I513-Y707 HydrophobicContact CB-CG 4.11Å; I513-Y707 HydrophobicContact CG2-CD1 3.65Å; I513-Y707 HydrophobicContact CG2-CE1 3.55Å; I513-Y707 HydrophobicContact CG2-CG 4.47Å; I513-Y707 WeakPolarHBondContact O-CE2 3.31Å; W703-Y707 PolarHBondContact O-N 2.77Å; K704-Y707 PolarHBondContact O-N 3.44Å; L705-Y707 PolarHBondContact O-N 3.19Å; Y707-L709 VanDerWaalsContact C-N 3.32Å; Y707-L709 PolarHBondContact O-N 3.47Å; Y707-F710 PolarHBondContact O-N 2.93Å; Y707-I711 HydrophobicContact CD1-CD1 3.84Å; Y707-I711 HydrophobicContact CD1-CG1 4.42Å; Y707-I711 HydrophobicContact CE1-CD1 3.15Å; Y707-I711 HydrophobicContact CE1-CG1 4.03Å; Y707-I711 HydrophobicContact CE2-CD1 4.43Å; Y707-I711 PolarHBondContact O-N 2.93Å
708K78.4Confident73.3Confident104 Ų10489.1 Ų89.145%0.45242%0.42SS..Hα-helixtrans-61.1-40.6174.8-75-178.9179.7-178.90111.9D673 K704 L705 I706 I711 F712D673-K708 VanDerWaalsContact CG-NZ 3.28Å; D673-K708 VanDerWaalsContact OD1-CE 3.22Å; D673-K708 WeakPolarHBondContact OD1-CE 3.35Å; D673-K708 IonicContact OD1-NZ 3.02Å; D673-K708 PolarHBondContact OD1-NZ 2.79Å; D673-K708 WeakPolarHBondContact OD2-CE 3.4Å; D673-K708 IonicContact OD2-NZ 3.86Å; D673-K708 PolarHBondContact OD2-NZ 2.84Å; K704-K708 WeakPolarHBondContact O-CG 3.42Å; K704-K708 PolarHBondContact O-N 3.06Å; L705-K708 PolarHBondContact O-N 3.23Å; I706-K708 PolarHBondContact O-N 3.18Å; K708-I711 PolarHBondContact O-N 3.49Å; K708-F712 WeakPolarHBondContact O-CB 3.34Å; K708-F712 PolarHBondContact O-N 3.32Å
709L80.1Confident71.1Confident88 Ų8887.3 Ų87.346%0.46142%0.417SS..Hα-helixtrans-64.7-41.7175.6-17565.7000111.4L705 I706 Y707 F712 I713L705-L709 WeakPolarHBondContact O-CB 3.28Å; L705-L709 PolarHBondContact O-N 2.82Å; I706-L709 WeakPolarHBondContact O-CB 3.32Å; I706-L709 PolarHBondContact O-N 3.37Å; Y707-L709 VanDerWaalsContact C-N 3.32Å; Y707-L709 PolarHBondContact O-N 3.47Å; L709-F712 WeakPolarHBondContact O-CB 3.31Å; L709-F712 PolarHBondContact O-N 3.44Å; L709-I713 HydrophobicContact CD1-CD1 4.48Å; L709-I713 HydrophobicContact CG-CD1 4Å; L709-I713 VanDerWaalsContact O-CG1 3.26Å; L709-I713 WeakPolarHBondContact O-CG1 3.18Å; L709-I713 PolarHBondContact O-N 2.9Å
710F74.5Confident69.2Low135 Ų13594.5 Ų94.559%0.59245%0.45SS*.Hα-helixtrans-64.7-43.1175.4-88.6-70.3000112.5I706 Y707 F712 I713 K714I706-F710 HydrophobicContact CG2-CD2 3.52Å; I706-F710 HydrophobicContact CG2-CE2 3.47Å; I706-F710 VanDerWaalsContact CG2-CE2 3.47Å; I706-F710 VanDerWaalsContact O-CD2 3.23Å; I706-F710 WeakPolarHBondContact O-CD2 3.26Å; I706-F710 PolarHBondContact O-N 3.37Å; Y707-F710 PolarHBondContact O-N 2.93Å; F710-F712 VanDerWaalsContact C-N 3.3Å; F710-F712 PolarHBondContact O-N 3.19Å; F710-I713 PolarHBondContact O-N 3.47Å; F710-K714 WeakPolarHBondContact O-CB 3.4Å; F710-K714 PolarHBondContact O-N 3.23Å
711I73.4Confident67.1Low78 Ų78102.2 Ų102.240%0.448%0.479SS..Hα-helixtrans-59.5-44.4172.2-73.9-177.5000110.5L511 Y707 K708 K714 M715L511-I711 HydrophobicContact CD2-CD1 4.18Å; Y707-I711 HydrophobicContact CD1-CD1 3.84Å; Y707-I711 HydrophobicContact CD1-CG1 4.42Å; Y707-I711 HydrophobicContact CE1-CD1 3.15Å; Y707-I711 HydrophobicContact CE1-CG1 4.03Å; Y707-I711 HydrophobicContact CE2-CD1 4.43Å; Y707-I711 PolarHBondContact O-N 2.93Å; K708-I711 PolarHBondContact O-N 3.49Å; I711-K714 PolarHBondContact O-N 3Å; I711-M715 WeakPolarHBondContact O-CB 3.45Å; I711-M715 PolarHBondContact O-N 3.21Å
712F74.6Confident64.9Low106 Ų106104.1 Ų104.147%0.46549%0.49SS..Hα-helixtrans-60.7-47.9177.3-176.1-95.2000110.9K708 L709 F710 K714 M715 F716K708-F712 WeakPolarHBondContact O-CB 3.34Å; K708-F712 PolarHBondContact O-N 3.32Å; L709-F712 WeakPolarHBondContact O-CB 3.31Å; L709-F712 PolarHBondContact O-N 3.44Å; F710-F712 VanDerWaalsContact C-N 3.3Å; F710-F712 PolarHBondContact O-N 3.19Å; F712-K714 VanDerWaalsContact C-N 3.32Å; F712-K714 PolarHBondContact O-N 3.12Å; F712-M715 HydrophobicContact CD2-CE 4.38Å; F712-M715 HydrophobicContact CE2-CE 4.47Å; F712-M715 WeakPolarHBondContact O-CA 3.24Å; F712-M715 VanDerWaalsContact O-CB 3.29Å; F712-M715 WeakPolarHBondContact O-CB 3.2Å; F712-M715 PolarHBondContact O-N 2.94Å; F712-F716 AromaticContact CD1-CD2 3.86Å; F712-F716 HydrophobicContact CD1-CD2 3.86Å; F712-F716 AromaticContact CD1-CE2 3.98Å; F712-F716 HydrophobicContact CD1-CE2 3.98Å; F712-F716 HydrophobicContact CD2-CD2 4.44Å; F712-F716 HydrophobicContact CD2-CE2 4.04Å; F712-F716 AromaticContact CE1-CD2 3.63Å; F712-F716 HydrophobicContact CE1-CD2 3.63Å; F712-F716 AromaticContact CE1-CE2 3.38Å; F712-F716 HydrophobicContact CE1-CE2 3.38Å; F712-F716 HydrophobicContact CE1-CZ 4.25Å; F712-F716 HydrophobicContact CE2-CD2 4.25Å; F712-F716 AromaticContact CE2-CE2 3.47Å; F712-F716 HydrophobicContact CE2-CE2 3.47Å; F712-F716 VanDerWaalsContact CE2-CE2 3.47Å; F712-F716 HydrophobicContact CE2-CZ 4.36Å; F712-F716 HydrophobicContact CG-CD2 4.28Å; F712-F716 HydrophobicContact CG-CE2 4.29Å; F712-F716 AromaticContact CZ-CD2 3.87Å; F712-F716 HydrophobicContact CZ-CD2 3.87Å; F712-F716 AromaticContact CZ-CE2 3.11Å; F712-F716 HydrophobicContact CZ-CE2 3.11Å; F712-F716 AromaticContact CZ-CZ 3.82Å; F712-F716 HydrophobicContact CZ-CZ 3.82Å; F712-F716 WeakPolarHBondContact O-CD2 3.28Å; F712-F716 PolarHBondContact O-N 3.25Å
713I73.3Confident62.8Low72 Ų72107 Ų10737%0.36950%0.498SS..Hα-helixtrans-59.6-42.5175.7-67.9164.5000110.9L709 F710 M715 F716 Q717L709-I713 HydrophobicContact CD1-CD1 4.48Å; L709-I713 HydrophobicContact CG-CD1 4Å; L709-I713 VanDerWaalsContact O-CG1 3.26Å; L709-I713 WeakPolarHBondContact O-CG1 3.18Å; L709-I713 PolarHBondContact O-N 2.9Å; F710-I713 PolarHBondContact O-N 3.47Å; I713-M715 VanDerWaalsContact C-N 3.28Å; I713-M715 PolarHBondContact O-N 3.39Å; I713-F716 CarbonylContact O-C 3.36Å; I713-F716 PolarHBondContact O-N 2.73Å; I713-Q717 PolarHBondContact O-N 3.47Å
714K61.7Low61.1Low111 Ų111109 Ų10948%0.48351%0.51SS..Hα-helixtrans-63.6-33.4175.1-167.8176.9-178.5175.60112.2F710 I711 F712 F716 Q717F710-K714 WeakPolarHBondContact O-CB 3.4Å; F710-K714 PolarHBondContact O-N 3.23Å; I711-K714 PolarHBondContact O-N 3Å; F712-K714 VanDerWaalsContact C-N 3.32Å; F712-K714 PolarHBondContact O-N 3.12Å; K714-F716 VanDerWaalsContact C-N 3.3Å; K714-Q717 CarbonylContact O-C 3.55Å
715M62.5Low58.8Low126 Ų126115.7 Ų115.762%0.62155%0.547SS*.Hα-helixtrans-67.3-32.3172.9-166.1-176.179.200111.8I711 F712 I713I711-M715 WeakPolarHBondContact O-CB 3.45Å; I711-M715 PolarHBondContact O-N 3.21Å; F712-M715 HydrophobicContact CD2-CE 4.38Å; F712-M715 HydrophobicContact CE2-CE 4.47Å; F712-M715 WeakPolarHBondContact O-CA 3.24Å; F712-M715 VanDerWaalsContact O-CB 3.29Å; F712-M715 WeakPolarHBondContact O-CB 3.2Å; F712-M715 PolarHBondContact O-N 2.94Å; I713-M715 VanDerWaalsContact C-N 3.28Å; I713-M715 PolarHBondContact O-N 3.39Å
716F62.1Low56.7Low140 Ų140113.4 Ų113.461%0.61454%0.539SS*.Hα-helixtrans-82.6-28.3176.2-85.5-87.9000113.7F712 I713 K714F712-F716 AromaticContact CD1-CD2 3.86Å; F712-F716 HydrophobicContact CD1-CD2 3.86Å; F712-F716 AromaticContact CD1-CE2 3.98Å; F712-F716 HydrophobicContact CD1-CE2 3.98Å; F712-F716 HydrophobicContact CD2-CD2 4.44Å; F712-F716 HydrophobicContact CD2-CE2 4.04Å; F712-F716 AromaticContact CE1-CD2 3.63Å; F712-F716 HydrophobicContact CE1-CD2 3.63Å; F712-F716 AromaticContact CE1-CE2 3.38Å; F712-F716 HydrophobicContact CE1-CE2 3.38Å; F712-F716 HydrophobicContact CE1-CZ 4.25Å; F712-F716 HydrophobicContact CE2-CD2 4.25Å; F712-F716 AromaticContact CE2-CE2 3.47Å; F712-F716 HydrophobicContact CE2-CE2 3.47Å; F712-F716 VanDerWaalsContact CE2-CE2 3.47Å; F712-F716 HydrophobicContact CE2-CZ 4.36Å; F712-F716 HydrophobicContact CG-CD2 4.28Å; F712-F716 HydrophobicContact CG-CE2 4.29Å; F712-F716 AromaticContact CZ-CD2 3.87Å; F712-F716 HydrophobicContact CZ-CD2 3.87Å; F712-F716 AromaticContact CZ-CE2 3.11Å; F712-F716 HydrophobicContact CZ-CE2 3.11Å; F712-F716 AromaticContact CZ-CZ 3.82Å; F712-F716 HydrophobicContact CZ-CZ 3.82Å; F712-F716 WeakPolarHBondContact O-CD2 3.28Å; F712-F716 PolarHBondContact O-N 3.25Å; I713-F716 CarbonylContact O-C 3.36Å; I713-F716 PolarHBondContact O-N 2.73Å; K714-F716 VanDerWaalsContact C-N 3.3Å
717Q49Very low55Low117 Ų117115.5 Ų115.555%0.54755%0.55SS..  trans-91.398.7171.4-79.7-173.9-53.200110.3I713 K714 N719I713-Q717 PolarHBondContact O-N 3.47Å; K714-Q717 CarbonylContact O-C 3.55Å; Q717-N719 PolarHBondContact O-N 2.79Å
718F43.2Very low53.2Low203 Ų203115.8 Ų115.889%0.8955%0.554SS**  trans-64.439.2162.3-88.4-84.1000112.9
719N39.7Very low51.4Low106 Ų106115 Ų11557%0.56756%0.562SS**  trans-104.1117.5172.4-82.7-6.4000109Q717 Y721Q717-N719 PolarHBondContact O-N 2.79Å; N719-Y721 HydrophobicContact CB-CD2 4.26Å; N719-Y721 PolarHBondContact O-N 2.77Å
720E41.6Very low49.6Very low180 Ų180115.9 Ų115.984%0.84157%0.567SS**  trans-6562.5177.4-160.5-177.4-166.700111.3
721Y36.8Very low48.5Very low175 Ų175110.3 Ų110.369%0.68655%0.548SS*.  trans-100.6104.3167.6-86.1-88.1000109N719 E723N719-Y721 HydrophobicContact CB-CD2 4.26Å; N719-Y721 PolarHBondContact O-N 2.77Å; Y721-E723 PolarHBondContact O-N 3.34Å
722N37.5Very low47.5Very low133 Ų133107.3 Ų107.371%0.71153%0.533SS*.  trans-85.734.1177.3-73.6-38.5000112.6M724N722-M724 PolarHBondContact O-N 3.48Å
723E37.2Very low46.9Very low122 Ų122102.8 Ų102.857%0.5751%0.514SS*.  trans-102.370.9-177.2-150.7-179168.900111Y721 S726Y721-E723 PolarHBondContact O-N 3.34Å; E723-S726 PolarHBondContact OE1-OG 3.15Å
724M39Very low46.3Very low77 Ų77107 Ų10738%0.37953%0.526SS..  trans-113.612.4166.2-132.2-65.7138.100112.4N722 I727N722-M724 PolarHBondContact O-N 3.48Å; M724-I727 HydrophobicContact CE-CB 3.5Å; M724-I727 VanDerWaalsContact CE-CB 3.5Å; M724-I727 HydrophobicContact CE-CD1 3.67Å; M724-I727 HydrophobicContact CE-CG1 3.89Å; M724-I727 HydrophobicContact CE-CG2 3.84Å
725D35.8Very low46.4Very low154 Ų154102.4 Ų102.482%0.82451%0.506SS*.SBendtrans-85.5-16.4172.3-75.6-17.1000112.1
726S38Very low46.5Very low56 Ų5696.6 Ų96.639%0.39248%0.477SS..SBendtrans-95.2-23.2-171.659.50000115.8E723 N728 S729E723-S726 PolarHBondContact OE1-OG 3.15Å; S726-N728 PolarHBondContact O-N 3.3Å; S726-S729 PolarHBondContact O-N 2.9Å; S726-S729 PolarHBondContact O-OG 2.85Å
727I41.2Very low46.5Very low105 Ų10591.1 Ų91.154%0.53845%0.453SS..THydrogen-bonded Turntrans-70-13.7-175.8-68.9-170.4000113.6M724M724-I727 HydrophobicContact CE-CB 3.5Å; M724-I727 VanDerWaalsContact CE-CB 3.5Å; M724-I727 HydrophobicContact CE-CD1 3.67Å; M724-I727 HydrophobicContact CE-CG1 3.89Å; M724-I727 HydrophobicContact CE-CG2 3.84Å
728N38.7Very low47.5Very low44 Ų4489.2 Ų89.224%0.23544%0.441CS..THydrogen-bonded Turntrans-135.853.8170.4-69.9-44.7000111.9I493 S726 N730I493-N728 HydrophobicContact CD1-CB 4.28Å; I493-N728 WeakPolarHBondContact CD1-ND2 3.4Å; S726-N728 PolarHBondContact O-N 3.3Å; N728-N730 PolarHBondContact O-N 3.19Å; N728-N730 VanDerWaalsContact O-N 3.16Å
729S39Very low48.7Very low87 Ų8780 Ų8061%0.60840%0.401SS*.SBendtrans-77.594.1162.952.10000108.9S726S726-S729 PolarHBondContact O-N 2.9Å; S726-S729 PolarHBondContact O-OG 2.85Å
730N43.7Very low49.9Very low107 Ų10777 Ų7757%0.57238%0.382SS*.SBendtrans65.4102.5172.2-55.2-24.2000116.4N728N728-N730 PolarHBondContact O-N 3.19Å; N728-N730 VanDerWaalsContact O-N 3.16Å
731G50.8Low51.1Low18 Ų1873 Ų7319%0.18636%0.362CS..SBendtrans110.5174.4158.800000116.3
732V53.1Low52.8Low14 Ų1467.8 Ų67.89%0.08535%0.345CS..  trans-64.1123.8-173179.70000110.7T465 F469 L516 W734 I736T465-V732 WeakPolarHBondContact O-CG2 3.19Å; F469-V732 HydrophobicContact CD2-CG2 3.91Å; F469-V732 HydrophobicContact CE2-CB 4.32Å; F469-V732 HydrophobicContact CE2-CG1 3.77Å; F469-V732 HydrophobicContact CE2-CG2 3.52Å; F469-V732 HydrophobicContact CZ-CG1 4.12Å; L516-V732 WeakPolarHBondContact O-CG2 3.24Å; V732-W734 PolarHBondContact O-N 3.1Å; V732-I736 HydrophobicContact CG1-CB 3.51Å; V732-I736 HydrophobicContact CG1-CG1 4.27Å; V732-I736 HydrophobicContact CG1-CG2 3.53Å
733P60.2Low54.3Low12 Ų1262.1 Ų62.18%0.07832%0.316CS..  trans-54.1140.2176.2-24.331.5000111.5W703 F735 I736W703-P733 HydrophobicContact CH2-CB 3.72Å; W703-P733 HydrophobicContact CH2-CG 4.18Å; W703-P733 HydrophobicContact CZ2-CB 4.1Å; W703-P733 HydrophobicContact CZ2-CG 4.05Å; W703-P733 HydrophobicContact CZ3-CB 4.24Å; P733-F735 PolarHBondContact O-N 3.2Å; P733-I736 HydrophobicContact CB-CG1 4.16Å; P733-I736 HydrophobicContact CG-CG1 4.23Å; P733-I736 WeakPolarHBondContact O-CB 3.35Å; P733-I736 PolarHBondContact O-N 3.28Å
734W62.4Low55.8Low161 Ų16160.4 Ų60.461%0.6131%0.305SS*.Hα-helixtrans-52-33.2-178.168.4-92.2000113.2M25 V732 I736 Q737 W738M25-W734 HydrophobicContact SD-CZ3 4.29Å; V732-W734 PolarHBondContact O-N 3.1Å; W734-I736 VanDerWaalsContact C-N 3.28Å; W734-I736 PolarHBondContact O-N 2.92Å; W734-Q737 WeakPolarHBondContact O-CB 3.5Å; W734-Q737 PolarHBondContact O-N 3.38Å; W734-Q737 VanDerWaalsContact O-N 3.16Å; W734-W738 PolarHBondContact O-N 2.83Å
735F63.1Low57.5Low14 Ų1467.3 Ų67.36%0.06133%0.326CS..Hα-helixtrans-61.9-35.2177.2173.2-102.5000112.6P702 W703 P733 Q737 W738 I739P702-F735 HydrophobicContact CB-CZ 3.89Å; P702-F735 HydrophobicContact CG-CZ 4.38Å; W703-F735 HydrophobicContact CB-CD1 4.13Å; W703-F735 HydrophobicContact CB-CE1 3.77Å; W703-F735 HydrophobicContact CD2-CD1 4.14Å; W703-F735 HydrophobicContact CE3-CB 3.9Å; W703-F735 AromaticContact CE3-CD1 3.44Å; W703-F735 HydrophobicContact CE3-CD1 3.44Å; W703-F735 VanDerWaalsContact CE3-CD1 3.44Å; W703-F735 HydrophobicContact CE3-CE1 4.18Å; W703-F735 AromaticContact CE3-CG 3.81Å; W703-F735 HydrophobicContact CE3-CG 3.81Å; W703-F735 HydrophobicContact CG-CD1 4.46Å; W703-F735 HydrophobicContact CZ3-CB 3.75Å; W703-F735 HydrophobicContact CZ3-CD1 4.2Å; W703-F735 HydrophobicContact CZ3-CG 4.18Å; P733-F735 PolarHBondContact O-N 3.2Å; F735-Q737 VanDerWaalsContact C-N 3.32Å; F735-Q737 PolarHBondContact O-N 3.31Å; F735-W738 HydrophobicContact CD2-CE3 4.02Å; F735-W738 AromaticContact CE2-CE3 3.64Å; F735-W738 HydrophobicContact CE2-CE3 3.64Å; F735-W738 AromaticContact CE2-CZ3 3.74Å; F735-W738 HydrophobicContact CE2-CZ3 3.74Å; F735-W738 HydrophobicContact CZ-CE3 4.39Å; F735-W738 HydrophobicContact CZ-CZ3 4.35Å; F735-W738 WeakPolarHBondContact O-CB 3.49Å; F735-W738 PolarHBondContact O-N 3.45Å; F735-W738 VanDerWaalsContact O-N 3.15Å; F735-I739 HydrophobicContact CD1-CD1 3.86Å; F735-I739 HydrophobicContact CD1-CG1 4.34Å; F735-I739 HydrophobicContact CE1-CD1 3.08Å; F735-I739 HydrophobicContact CE1-CG1 3.79Å; F735-I739 HydrophobicContact CE2-CD1 4.42Å; F735-I739 HydrophobicContact CE2-CG1 4.35Å; F735-I739 HydrophobicContact CZ-CD1 3.42Å; F735-I739 VanDerWaalsContact CZ-CD1 3.42Å; F735-I739 HydrophobicContact CZ-CG1 3.77Å; F735-I739 PolarHBondContact O-N 2.83Å
736I63.8Low59.4Low4 Ų466.1 Ų66.12%0.02132%0.319CS..Hα-helixtrans-69.6-34.2177.5-58-61.7000110.7F469 L516 V732 P733 W734 W738 I739 Y740F469-I736 HydrophobicContact CE1-CG2 3.79Å; F469-I736 HydrophobicContact CE2-CG2 4.09Å; F469-I736 HydrophobicContact CZ-CG2 3.17Å; L516-I736 HydrophobicContact CD2-CD1 3.67Å; L516-I736 HydrophobicContact CD2-CG1 4.18Å; V732-I736 HydrophobicContact CG1-CB 3.51Å; V732-I736 HydrophobicContact CG1-CG1 4.27Å; V732-I736 HydrophobicContact CG1-CG2 3.53Å; P733-I736 HydrophobicContact CB-CG1 4.16Å; P733-I736 HydrophobicContact CG-CG1 4.23Å; P733-I736 WeakPolarHBondContact O-CB 3.35Å; P733-I736 PolarHBondContact O-N 3.28Å; W734-I736 VanDerWaalsContact C-N 3.28Å; W734-I736 PolarHBondContact O-N 2.92Å; I736-W738 VanDerWaalsContact C-N 3.27Å; I736-W738 PolarHBondContact O-N 3.45Å; I736-I739 HydrophobicContact CD1-CD1 4.48Å; I736-I739 PolarHBondContact O-N 3.01Å; I736-Y740 PolarHBondContact O-N 2.82Å
737Q63.6Low61.1Low25 Ų2565.2 Ų65.212%0.11731%0.309CS..Hα-helixtrans-64.1-33.4170.9-59.2-176.8-200112.5V464 W734 F735 K741V464-Q737 HydrophobicContact CB-CG 4.41Å; V464-Q737 HydrophobicContact CG1-CB 4.37Å; V464-Q737 HydrophobicContact CG1-CG 4.06Å; W734-Q737 WeakPolarHBondContact O-CB 3.5Å; W734-Q737 PolarHBondContact O-N 3.38Å; W734-Q737 VanDerWaalsContact O-N 3.16Å; F735-Q737 VanDerWaalsContact C-N 3.32Å; F735-Q737 PolarHBondContact O-N 3.31Å; Q737-K741 PolarHBondContact O-N 3.4Å
738W68.4Low62.7Low77 Ų7763.8 Ų63.829%0.29231%0.309SS..Hα-helixtrans-68.2-48.3173-179.869.4000111.6L21 M25 W734 F735 I736 Y740 K741 L742L21-W738 HydrophobicContact CD2-CZ2 4.43Å; M25-W738 HydrophobicContact CE-CB 3.64Å; M25-W738 HydrophobicContact CE-CG 3.78Å; M25-W738 HydrophobicContact SD-CB 3.99Å; M25-W738 HydrophobicContact SD-CG 3.77Å; W734-W738 PolarHBondContact O-N 2.83Å; F735-W738 HydrophobicContact CD2-CE3 4.02Å; F735-W738 AromaticContact CE2-CE3 3.64Å; F735-W738 HydrophobicContact CE2-CE3 3.64Å; F735-W738 AromaticContact CE2-CZ3 3.74Å; F735-W738 HydrophobicContact CE2-CZ3 3.74Å; F735-W738 HydrophobicContact CZ-CE3 4.39Å; F735-W738 HydrophobicContact CZ-CZ3 4.35Å; F735-W738 WeakPolarHBondContact O-CB 3.49Å; F735-W738 PolarHBondContact O-N 3.45Å; F735-W738 VanDerWaalsContact O-N 3.15Å; I736-W738 VanDerWaalsContact C-N 3.27Å; I736-W738 PolarHBondContact O-N 3.45Å; W738-Y740 VanDerWaalsContact C-N 3.26Å; W738-Y740 PolarHBondContact O-N 2.8Å; W738-K741 PolarHBondContact O-N 2.84Å; W738-K741 VanDerWaalsContact O-N 3.11Å; W738-L742 HydrophobicContact CH2-CD2 3.68Å; W738-L742 HydrophobicContact CZ2-CD2 3.9Å; W738-L742 HydrophobicContact CZ3-CD2 4.07Å; W738-L742 WeakPolarHBondContact O-CB 3.26Å; W738-L742 PolarHBondContact O-N 3.11Å
739I69Low64Low9 Ų967.8 Ų67.85%0.04633%0.326CS..Hα-helixtrans-53.5-45.5174.7-78.1-177.3000110.7W468 I699 F735 I736 K741 L742 T743W468-I739 HydrophobicContact CZ3-CG2 4.47Å; I699-I739 HydrophobicContact CG2-CD1 3.98Å; I699-I739 HydrophobicContact CG2-CG1 4.48Å; I699-I739 HydrophobicContact CG2-CG2 3.31Å; I699-I739 WeakPolarHBondContact O-CD1 3.37Å; F735-I739 HydrophobicContact CD1-CD1 3.86Å; F735-I739 HydrophobicContact CD1-CG1 4.34Å; F735-I739 HydrophobicContact CE1-CD1 3.08Å; F735-I739 HydrophobicContact CE1-CG1 3.79Å; F735-I739 HydrophobicContact CE2-CD1 4.42Å; F735-I739 HydrophobicContact CE2-CG1 4.35Å; F735-I739 HydrophobicContact CZ-CD1 3.42Å; F735-I739 VanDerWaalsContact CZ-CD1 3.42Å; F735-I739 HydrophobicContact CZ-CG1 3.77Å; F735-I739 PolarHBondContact O-N 2.83Å; I736-I739 HydrophobicContact CD1-CD1 4.48Å; I736-I739 PolarHBondContact O-N 3.01Å; I739-K741 PolarHBondContact O-N 3.32Å; I739-L742 PolarHBondContact O-N 2.79Å; I739-T743 HydrophobicContact CG2-CG2 3.82Å; I739-T743 WeakPolarHBondContact O-CB 3.34Å; I739-T743 VanDerWaalsContact O-CG2 3.25Å; I739-T743 WeakPolarHBondContact O-CG2 3.31Å; I739-T743 PolarHBondContact O-N 3.38Å; I739-T743 PolarHBondContact O-OG1 3.39Å
740Y64.2Low65.5Low43 Ų4367.8 Ų67.817%0.16933%0.326CS..Hα-helixtrans-52.5-56.4176.1176.8-71000110.7V464 W468 I736 W738 L742 T743 Y744V464-Y740 HydrophobicContact CB-CD2 4.06Å; V464-Y740 HydrophobicContact CB-CE2 4.37Å; V464-Y740 HydrophobicContact CB-CG 4.37Å; V464-Y740 HydrophobicContact CG1-CD2 3.54Å; V464-Y740 HydrophobicContact CG1-CE2 4.3Å; V464-Y740 HydrophobicContact CG1-CG 3.81Å; V464-Y740 HydrophobicContact CG2-CD1 3.8Å; V464-Y740 HydrophobicContact CG2-CD2 3.73Å; V464-Y740 HydrophobicContact CG2-CE1 4.06Å; V464-Y740 HydrophobicContact CG2-CE2 3.9Å; V464-Y740 HydrophobicContact CG2-CG 3.73Å; W468-Y740 AromaticContact CD1-CD2 3.57Å; W468-Y740 AromaticContact CD1-CE2 3.34Å; W468-Y740 AromaticContact CD2-CD2 3.38Å; W468-Y740 HydrophobicContact CD2-CD2 3.38Å; W468-Y740 AromaticContact CD2-CE2 3.97Å; W468-Y740 HydrophobicContact CD2-CE2 3.97Å; W468-Y740 HydrophobicContact CD2-CG 4.37Å; W468-Y740 AromaticContact CE2-CD2 2.99Å; W468-Y740 AromaticContact CE2-CE2 3.3Å; W468-Y740 AromaticContact CE2-CG 3.96Å; W468-Y740 HydrophobicContact CE3-CD2 4.08Å; W468-Y740 AromaticContact CG-CD2 3.75Å; W468-Y740 HydrophobicContact CG-CD2 3.75Å; W468-Y740 HydrophobicContact CG-CE2 4.01Å; W468-Y740 HydrophobicContact CH2-CD2 4.12Å; W468-Y740 HydrophobicContact CH2-CG 4.35Å; W468-Y740 AromaticContact CZ2-CD2 3.43Å; W468-Y740 HydrophobicContact CZ2-CD2 3.43Å; W468-Y740 VanDerWaalsContact CZ2-CD2 3.43Å; W468-Y740 AromaticContact CZ2-CE2 3.87Å; W468-Y740 HydrophobicContact CZ2-CE2 3.87Å; W468-Y740 AromaticContact CZ2-CG 3.95Å; W468-Y740 HydrophobicContact CZ2-CG 3.95Å; W468-Y740 HydrophobicContact CZ3-CD2 4.41Å; W468-Y740 AromaticContact NE1-CD2 3.18Å; W468-Y740 AromaticContact NE1-CE2 2.91Å; W468-Y740 AromaticContact NE1-CZ 3.96Å; I736-Y740 PolarHBondContact O-N 2.82Å; W738-Y740 VanDerWaalsContact C-N 3.26Å; W738-Y740 PolarHBondContact O-N 2.8Å; Y740-L742 PolarHBondContact O-N 3.36Å; Y740-T743 WeakPolarHBondContact CA-OG1 3.2Å; Y740-T743 PolarHBondContact O-N 3.04Å; Y740-T743 PolarHBondContact O-OG1 2.9Å; Y740-Y744 AromaticContact CD1-CD2 3.8Å; Y740-Y744 HydrophobicContact CD1-CD2 3.8Å; Y740-Y744 AromaticContact CD1-CE2 3.98Å; Y740-Y744 HydrophobicContact CD1-CE2 3.98Å; Y740-Y744 HydrophobicContact CD2-CD2 4.45Å; Y740-Y744 AromaticContact CD2-CE2 3.96Å; Y740-Y744 HydrophobicContact CD2-CE2 3.96Å; Y740-Y744 AromaticContact CE1-CD2 3.49Å; Y740-Y744 HydrophobicContact CE1-CD2 3.49Å; Y740-Y744 VanDerWaalsContact CE1-CD2 3.49Å; Y740-Y744 AromaticContact CE1-CE2 3.43Å; Y740-Y744 HydrophobicContact CE1-CE2 3.43Å; Y740-Y744 VanDerWaalsContact CE1-CE2 3.43Å; Y740-Y744 HydrophobicContact CE2-CD2 4.27Å; Y740-Y744 AromaticContact CE2-CE2 3.48Å; Y740-Y744 HydrophobicContact CE2-CE2 3.48Å; Y740-Y744 VanDerWaalsContact CE2-CE2 3.48Å; Y740-Y744 HydrophobicContact CG-CD2 4.21Å; Y740-Y744 HydrophobicContact CG-CE2 4.17Å; Y740-Y744 AromaticContact CZ-CD2 3.72Å; Y740-Y744 AromaticContact CZ-CE2 3.1Å; Y740-Y744 AromaticContact CZ-CZ 3.88Å; Y740-Y744 WeakPolarHBondContact O-CD2 3.27Å; Y740-Y744 PolarHBondContact O-N 3.48Å; Y740-Y744 VanDerWaalsContact OH-CE2 3.27Å; Y740-Y744 WeakPolarHBondContact OH-CE2 3.42Å; Y740-Y744 PolarHBondContact OH-OH 3.41Å
741K68.2Low66.7Low96 Ų9665.8 Ų65.842%0.41731%0.313SS..Hα-helixtrans-63.9-31.6-175.2-71.8179.4179.9177.30111.9K26 Q737 W738 I739 R745K26-K741 PolarHBondContact O-NZ 2.85Å; Q737-K741 PolarHBondContact O-N 3.4Å; W738-K741 PolarHBondContact O-N 2.84Å; W738-K741 VanDerWaalsContact O-N 3.11Å; I739-K741 PolarHBondContact O-N 3.32Å; K741-R745 WeakPolarHBondContact O-CG 3.37Å
742L72.7Confident67.7Low65 Ų6565.5 Ų65.534%0.3431%0.307SS..Hα-helixtrans-75.8-45.8178.1-172.868.2000112.1W738 I739 Y740 Y744 R745 I746W738-L742 HydrophobicContact CH2-CD2 3.68Å; W738-L742 HydrophobicContact CZ2-CD2 3.9Å; W738-L742 HydrophobicContact CZ3-CD2 4.07Å; W738-L742 WeakPolarHBondContact O-CB 3.26Å; W738-L742 PolarHBondContact O-N 3.11Å; I739-L742 PolarHBondContact O-N 2.79Å; Y740-L742 PolarHBondContact O-N 3.36Å; L742-Y744 PolarHBondContact O-N 3.33Å; L742-R745 WeakPolarHBondContact O-CB 3.44Å; L742-R745 PolarHBondContact O-N 2.85Å; L742-R745 VanDerWaalsContact O-N 3.07Å; L742-I746 HydrophobicContact CD1-CD1 3.92Å; L742-I746 HydrophobicContact CD2-CD1 4.38Å; L742-I746 HydrophobicContact CG-CD1 3.75Å; L742-I746 WeakPolarHBondContact O-CG1 3.48Å; L742-I746 PolarHBondContact O-N 2.81Å
743T68.7Low68.5Low15 Ų1565.9 Ų65.99%0.09231%0.307CS..Hα-helixtrans-64.5-40.2-176.245.80000112.3W468 I699 I739 Y740 R745 I746 L747W468-T743 VanDerWaalsContact CH2-OG1 3.23Å; W468-T743 WeakPolarHBondContact CH2-OG1 3.46Å; I699-T743 HydrophobicContact CD1-CG2 3.95Å; I699-T743 HydrophobicContact CG1-CG2 4.33Å; I699-T743 HydrophobicContact CG2-CG2 4.13Å; I739-T743 HydrophobicContact CG2-CG2 3.82Å; I739-T743 WeakPolarHBondContact O-CB 3.34Å; I739-T743 VanDerWaalsContact O-CG2 3.25Å; I739-T743 WeakPolarHBondContact O-CG2 3.31Å; I739-T743 PolarHBondContact O-N 3.38Å; I739-T743 PolarHBondContact O-OG1 3.39Å; Y740-T743 WeakPolarHBondContact CA-OG1 3.2Å; Y740-T743 PolarHBondContact O-N 3.04Å; Y740-T743 PolarHBondContact O-OG1 2.9Å; T743-R745 PolarHBondContact O-N 2.91Å; T743-I746 PolarHBondContact O-N 3.19Å; T743-I746 VanDerWaalsContact O-N 3.09Å; T743-L747 WeakPolarHBondContact O-CB 3.46Å; T743-L747 PolarHBondContact O-N 3.24Å
744Y69.1Low68.7Low86 Ų8671.8 Ų71.834%0.33733%0.331SS..Hα-helixtrans-63.5-23.4173.3-86.1-81000114.2W468 Y689 Y740 L742 F752W468-Y744 AromaticContact CE2-CE2 3.87Å; W468-Y744 HydrophobicContact CH2-CE2 4.45Å; W468-Y744 AromaticContact CZ2-CD2 3.91Å; W468-Y744 HydrophobicContact CZ2-CD2 3.91Å; W468-Y744 AromaticContact CZ2-CE2 3.35Å; W468-Y744 HydrophobicContact CZ2-CE2 3.35Å; W468-Y744 AromaticContact NE1-CE2 3.85Å; Y689-Y744 PolarHBondContact OH-OH 3.01Å; Y740-Y744 AromaticContact CD1-CD2 3.8Å; Y740-Y744 HydrophobicContact CD1-CD2 3.8Å; Y740-Y744 AromaticContact CD1-CE2 3.98Å; Y740-Y744 HydrophobicContact CD1-CE2 3.98Å; Y740-Y744 HydrophobicContact CD2-CD2 4.45Å; Y740-Y744 AromaticContact CD2-CE2 3.96Å; Y740-Y744 HydrophobicContact CD2-CE2 3.96Å; Y740-Y744 AromaticContact CE1-CD2 3.49Å; Y740-Y744 HydrophobicContact CE1-CD2 3.49Å; Y740-Y744 VanDerWaalsContact CE1-CD2 3.49Å; Y740-Y744 AromaticContact CE1-CE2 3.43Å; Y740-Y744 HydrophobicContact CE1-CE2 3.43Å; Y740-Y744 VanDerWaalsContact CE1-CE2 3.43Å; Y740-Y744 HydrophobicContact CE2-CD2 4.27Å; Y740-Y744 AromaticContact CE2-CE2 3.48Å; Y740-Y744 HydrophobicContact CE2-CE2 3.48Å; Y740-Y744 VanDerWaalsContact CE2-CE2 3.48Å; Y740-Y744 HydrophobicContact CG-CD2 4.21Å; Y740-Y744 HydrophobicContact CG-CE2 4.17Å; Y740-Y744 AromaticContact CZ-CD2 3.72Å; Y740-Y744 AromaticContact CZ-CE2 3.1Å; Y740-Y744 AromaticContact CZ-CZ 3.88Å; Y740-Y744 WeakPolarHBondContact O-CD2 3.27Å; Y740-Y744 PolarHBondContact O-N 3.48Å; Y740-Y744 VanDerWaalsContact OH-CE2 3.27Å; Y740-Y744 WeakPolarHBondContact OH-CE2 3.42Å; Y740-Y744 PolarHBondContact OH-OH 3.41Å; L742-Y744 PolarHBondContact O-N 3.33Å; Y744-F752 HydrophobicContact CD1-CE2 4.06Å; Y744-F752 HydrophobicContact CD1-CZ 4.42Å; Y744-F752 HydrophobicContact CE1-CD2 4.23Å; Y744-F752 HydrophobicContact CE1-CE2 4.17Å
745R73.7Confident68.4Low221 Ų22166 Ų6683%0.83432%0.315SS*.Hα-helixtrans-79.5-23.9174.8-70.1178.2176.3-149.4-3.7112.7K741 L742 T743K741-R745 WeakPolarHBondContact O-CG 3.37Å; L742-R745 WeakPolarHBondContact O-CB 3.44Å; L742-R745 PolarHBondContact O-N 2.85Å; L742-R745 VanDerWaalsContact O-N 3.07Å; T743-R745 PolarHBondContact O-N 2.91Å
746I76.5Confident67.8Low130 Ų13070 Ų7067%0.66734%0.342SS*.Hα-helixtrans-107.3-37.7-169.5-61.7173.1000111.6L742 T743L742-I746 HydrophobicContact CD1-CD1 3.92Å; L742-I746 HydrophobicContact CD2-CD1 4.38Å; L742-I746 HydrophobicContact CG-CD1 3.75Å; L742-I746 WeakPolarHBondContact O-CG1 3.48Å; L742-I746 PolarHBondContact O-N 2.81Å; T743-I746 PolarHBondContact O-N 3.19Å; T743-I746 VanDerWaalsContact O-N 3.09Å
747L73.6Confident66.8Low36 Ų3676.9 Ų76.919%0.18837%0.368CS..SBendtrans-101.8138.9-170.9-164.563.1000111.3L695 T743 H751 F752L695-L747 HydrophobicContact CD2-CD1 4.04Å; L695-L747 HydrophobicContact CD2-CD2 3.86Å; T743-L747 WeakPolarHBondContact O-CB 3.46Å; T743-L747 PolarHBondContact O-N 3.24Å; L747-H751 HydrophobicContact CD1-CB 4.29Å; L747-H751 WeakPolarHBondContact CD1-CD2 3.17Å; L747-H751 HydrophobicContact CD2-CB 3.47Å; L747-H751 VanDerWaalsContact CD2-CB 3.47Å; L747-H751 HydrophobicContact CG-CB 3.78Å; L747-F752 HydrophobicContact CB-CE2 4.23Å; L747-F752 HydrophobicContact CB-CZ 3.93Å; L747-F752 HydrophobicContact CD2-CE1 4.06Å; L747-F752 HydrophobicContact CD2-CE2 4.42Å; L747-F752 HydrophobicContact CD2-CZ 3.87Å; L747-F752 HydrophobicContact CG-CE2 4.46Å; L747-F752 HydrophobicContact CG-CZ 4.26Å
748S74Confident65.2Low76 Ų7683.2 Ų83.253%0.53140%0.402SS..  trans-66.3149.5174.5-175.20000111.8S750 H751S748-S750 PolarHBondContact O-N 3.45Å; S748-H751 PolarHBondContact O-N 3.45Å
749E66.6Low63.3Low127 Ų12789.7 Ų89.759%0.59344%0.44SS*.G310 helixtrans-55.3-26.1-179.2-71.6-165.4178.100114.7H751 F752 K754E749-H751 PolarHBondContact O-N 3.18Å; E749-F752 PolarHBondContact O-N 3.46Å; E749-K754 IonicContact OE2-NZ 3.87Å; E749-K754 PolarHBondContact OE2-NZ 2.96Å
750S69.4Low63Low88 Ų8893.8 Ų93.862%0.61546%0.46SS*.G310 helixtrans-63.7-20.5-176.859.10000114S748 F752S748-S750 PolarHBondContact O-N 3.45Å; S750-F752 VanDerWaalsContact C-N 3.35Å
751H68.8Low63Low64 Ų6496.4 Ų96.430%0.29648%0.475SS..G310 helixtrans-81.9-19-179.1-70.5-73.8000113.5Y615 S691 L747 S748 E749Y615-H751 PolarHBondContact OH-O 2.8Å; S691-H751 PolarHBondContact N-O 3.14Å; S691-H751 VanDerWaalsContact N-O 3.14Å; S691-H751 PolarHBondContact OG-O 3.45Å; S691-H751 VanDerWaalsContact OG-O 3.06Å; L747-H751 HydrophobicContact CD1-CB 4.29Å; L747-H751 WeakPolarHBondContact CD1-CD2 3.17Å; L747-H751 HydrophobicContact CD2-CB 3.47Å; L747-H751 VanDerWaalsContact CD2-CB 3.47Å; L747-H751 HydrophobicContact CG-CB 3.78Å; S748-H751 PolarHBondContact O-N 3.45Å; E749-H751 PolarHBondContact O-N 3.18Å
752F72.6Confident62.7Low12 Ų1296.4 Ų96.45%0.05348%0.478CS..BIsolated β-bridgetrans-91151.8-174-60.2-62.2000112W468 Y689 Y744 L747 E749 S750 K754W468-F752 HydrophobicContact CH2-CE1 4.31Å; W468-F752 HydrophobicContact CZ2-CE1 4.21Å; Y689-F752 HydrophobicContact CD1-CB 4.44Å; Y689-F752 AromaticContact CD1-CD1 3.57Å; Y689-F752 HydrophobicContact CD1-CD1 3.57Å; Y689-F752 HydrophobicContact CD1-CE1 4.29Å; Y689-F752 HydrophobicContact CD1-CG 4.38Å; Y689-F752 HydrophobicContact CE1-CB 3.71Å; Y689-F752 AromaticContact CE1-CD1 3.11Å; Y689-F752 HydrophobicContact CE1-CD1 3.11Å; Y689-F752 AromaticContact CE1-CE1 3.86Å; Y689-F752 HydrophobicContact CE1-CE1 3.86Å; Y689-F752 AromaticContact CE1-CG 3.61Å; Y689-F752 HydrophobicContact CE1-CG 3.61Å; Y689-F752 HydrophobicContact CE2-CB 4.27Å; Y689-F752 AromaticContact CZ-CD1 3.93Å; Y689-F752 AromaticContact CZ-CG 3.96Å; Y689-F752 CarbonylContact O-C 3.59Å; Y689-F752 WeakPolarHBondContact O-CA 3.37Å; Y744-F752 HydrophobicContact CD1-CE2 4.06Å; Y744-F752 HydrophobicContact CD1-CZ 4.42Å; Y744-F752 HydrophobicContact CE1-CD2 4.23Å; Y744-F752 HydrophobicContact CE1-CE2 4.17Å; L747-F752 HydrophobicContact CB-CE2 4.23Å; L747-F752 HydrophobicContact CB-CZ 3.93Å; L747-F752 HydrophobicContact CD2-CE1 4.06Å; L747-F752 HydrophobicContact CD2-CE2 4.42Å; L747-F752 HydrophobicContact CD2-CZ 3.87Å; L747-F752 HydrophobicContact CG-CE2 4.46Å; L747-F752 HydrophobicContact CG-CZ 4.26Å; E749-F752 PolarHBondContact O-N 3.46Å; S750-F752 VanDerWaalsContact C-N 3.35Å; F752-K754 PolarHBondContact O-N 3.35Å
753Y70.9Confident62.1Low23 Ų2398.3 Ų98.39%0.0949%0.487CS..  trans-66.6127.2173.6179.5-107.6000110.9E593 D594 Y615 S617 Y689E593-Y753 WeakPolarHBondContact CB-OH 3.42Å; D594-Y753 HydrophobicContact CB-CD1 3.5Å; D594-Y753 HydrophobicContact CB-CD2 4.22Å; D594-Y753 HydrophobicContact CB-CE1 3.73Å; D594-Y753 HydrophobicContact CB-CE2 4.45Å; D594-Y753 HydrophobicContact CB-CG 3.75Å; Y615-Y753 AromaticContact CD1-CD2 3.87Å; Y615-Y753 HydrophobicContact CD1-CD2 3.87Å; Y615-Y753 HydrophobicContact CD1-CG 4.49Å; Y615-Y753 AromaticContact CD2-CD2 3.73Å; Y615-Y753 HydrophobicContact CD2-CD2 3.73Å; Y615-Y753 HydrophobicContact CD2-CE2 4.36Å; Y615-Y753 HydrophobicContact CE1-CD2 4.04Å; Y615-Y753 HydrophobicContact CE1-CG 4.34Å; Y615-Y753 AromaticContact CE2-CD2 3.89Å; Y615-Y753 HydrophobicContact CE2-CD2 3.89Å; Y615-Y753 AromaticContact CG-CD2 3.7Å; Y615-Y753 HydrophobicContact CG-CD2 3.7Å; Y615-Y753 HydrophobicContact CG-CE2 4.2Å; Y615-Y753 PolarHBondContact OH-N 3.38Å; S617-Y753 VanDerWaalsContact OG-CE2 3.3Å; S617-Y753 WeakPolarHBondContact OG-CE2 3.24Å; S617-Y753 PolarHBondContact OG-OH 3.33Å; Y689-Y753 WeakPolarHBondContact CE2-O 3.29Å; Y689-Y753 PolarHBondContact O-N 2.98Å
754K64.2Low61.7Low135 Ų135103.5 Ų103.559%0.58751%0.511SS*.  trans-106.1114.7169.7-65-171.3176.4-163.60108E749 F752 T756E749-K754 IonicContact OE2-NZ 3.87Å; E749-K754 PolarHBondContact OE2-NZ 2.96Å; F752-K754 PolarHBondContact O-N 3.35Å; K754-T756 PolarHBondContact O-N 2.85Å
755S55.8Low61.2Low39 Ų39104.7 Ų104.727%0.27352%0.523SS..  trans-66.3129.7177.8-177.90000110.4Y757S755-Y757 VanDerWaalsContact C-N 3.31Å; S755-Y757 PolarHBondContact O-N 3.3Å
756T50.6Low60.3Low100 Ų10096.4 Ų96.461%0.61350%0.501SS*.THydrogen-bonded Turntrans-78.3-7.4179.629.50000114.6K754K754-T756 PolarHBondContact O-N 2.85Å
757Y41.5Very low59.1Low147 Ų14793.8 Ų93.858%0.57649%0.488SS*.THydrogen-bonded Turntrans-101.18.5-179.8-83.6-76.7000114.5L645 S755L645-Y757 HydrophobicContact CD2-CE2 3.88Å; S755-Y757 VanDerWaalsContact C-N 3.31Å; S755-Y757 PolarHBondContact O-N 3.3Å
758L30.9Very low57.8Low159 Ų15998.6 Ų98.683%0.83251%0.513SS*.  trans-100.317.4172.3-78.3170.9000113.4
759I28.9Very low56.4Low213 Ų213100.6 Ų100.6100%1.09251%0.511SS*.  trans-115.40163.2-53.2172.7000106.2

Retrieved 759 of 759 residues in 820.1 ms (Link to these results)

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