A0A5K4F4Y6_SCHMA Loading...

Plexin-B

AlphaFold DB , UniProt , Accession A0A5K4F4Y6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 452 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
1M70.9Confident83.8Confident211 Ų211131.3 Ų131.3100%1.03963%0.626SS**  0-36.70-85.4-178.5169.500113.8N3 F4M1-N3 PolarHBondContact O-N 3.05Å; M1-F4 PolarHBondContact O-N 2.94Å; M1-F4 VanDerWaalsContact O-N 3.14Å
2T80.7Confident84.5Confident119 Ų119123.8 Ų123.873%0.7361%0.609SS**Hα-helixtrans-49.8-44.5-178.635.60000115.3F4 Y5 F6T2-F4 PolarHBondContact O-N 3.25Å; T2-F4 VanDerWaalsContact O-N 3.16Å; T2-Y5 PolarHBondContact O-N 3.34Å; T2-F6 PolarHBondContact O-N 3.21Å
3N81.5Confident85Confident112 Ų112121.5 Ų121.560%0.59960%0.599SS**Hα-helixtrans-59.5-28-179.7-75.42.4000114.5M1 F6 F7M1-N3 PolarHBondContact O-N 3.05Å; N3-F6 PolarHBondContact O-N 3.36Å; N3-F7 PolarHBondContact O-N 2.97Å; N3-F7 VanDerWaalsContact O-N 3.16Å
4F83.9Confident85.2Confident157 Ų157121.4 Ų121.469%0.68959%0.589SS**Hα-helixtrans-71-37.7-177.8-169-99.7000112.5M1 T2 R8M1-F4 PolarHBondContact O-N 2.94Å; M1-F4 VanDerWaalsContact O-N 3.14Å; T2-F4 PolarHBondContact O-N 3.25Å; T2-F4 VanDerWaalsContact O-N 3.16Å; F4-R8 PolarHBondContact O-N 3.19Å
5Y85.7Confident85.5Confident175 Ų175120.1 Ų120.169%0.68659%0.585SS**Hα-helixtrans-66.8-39.3175.2-80.4-87.4000111.9T2 R8 S9T2-Y5 PolarHBondContact O-N 3.34Å; Y5-R8 PolarHBondContact O-N 3.16Å; Y5-S9 PolarHBondContact O-N 2.87Å; Y5-S9 VanDerWaalsContact O-N 3.08Å
6F85.8Confident86.1Confident144 Ų144122.5 Ų122.563%0.63259%0.587SS**Hα-helixtrans-62-47177.6-170.1-111.2000111.7T2 N3 R8 S9 I10T2-F6 PolarHBondContact O-N 3.21Å; N3-F6 PolarHBondContact O-N 3.36Å; F6-R8 PolarHBondContact O-N 2.93Å; F6-S9 PolarHBondContact O-N 2.78Å; F6-I10 HydrophobicContact CD1-CD1 3.8Å; F6-I10 HydrophobicContact CE1-CD1 3.41Å; F6-I10 VanDerWaalsContact CE1-CD1 3.41Å; F6-I10 HydrophobicContact CE2-CD1 4.43Å; F6-I10 HydrophobicContact CG-CD1 4.47Å; F6-I10 HydrophobicContact CZ-CD1 3.77Å; F6-I10 PolarHBondContact O-N 3.44Å; F6-I10 VanDerWaalsContact O-N 3.11Å
7F84.9Confident86.4Confident112 Ų112123 Ų12349%0.49159%0.587SS.*Hα-helixtrans-62.4-42.1178.3-160.8-90.2000112.6N3 S9 I10 L11N3-F7 PolarHBondContact O-N 2.97Å; N3-F7 VanDerWaalsContact O-N 3.16Å; F7-S9 VanDerWaalsContact C-N 3.32Å; F7-S9 PolarHBondContact O-N 2.85Å; F7-I10 PolarHBondContact O-N 3.4Å; F7-L11 PolarHBondContact O-N 3.28Å
8R85.8Confident86.6Confident181 Ų181119.5 Ų119.568%0.68357%0.571SS**Hα-helixtrans-64.3-35.1177.4-169.9175.5178.2-175.3-0.8112.5F4 Y5 F6 G12F4-R8 PolarHBondContact O-N 3.19Å; Y5-R8 PolarHBondContact O-N 3.16Å; F6-R8 PolarHBondContact O-N 2.93Å; R8-G12 PolarHBondContact O-N 3.23Å; R8-G12 VanDerWaalsContact O-N 3.16Å
9S88.7Confident86.9Confident69 Ų69115.3 Ų115.348%0.48356%0.563SS.*Hα-helixtrans-66.7-47.2175.8-167.30000111.9Y5 F6 F7 L11 G12 I13Y5-S9 PolarHBondContact O-N 2.87Å; Y5-S9 VanDerWaalsContact O-N 3.08Å; F6-S9 PolarHBondContact O-N 2.78Å; F7-S9 VanDerWaalsContact C-N 3.32Å; F7-S9 PolarHBondContact O-N 2.85Å; S9-L11 PolarHBondContact O-N 2.85Å; S9-G12 PolarHBondContact O-N 3.4Å; S9-I13 WeakPolarHBondContact O-CG1 3.24Å; S9-I13 PolarHBondContact O-N 2.97Å; S9-I13 VanDerWaalsContact O-N 3.09Å
10I87Confident87.2Confident79 Ų79113.8 Ų113.841%0.40556%0.557SS.*Hα-helixtrans-60.5-45.6177.9-68.6172.6000111.1F6 F7 G12 I13 W14F6-I10 HydrophobicContact CD1-CD1 3.8Å; F6-I10 HydrophobicContact CE1-CD1 3.41Å; F6-I10 VanDerWaalsContact CE1-CD1 3.41Å; F6-I10 HydrophobicContact CE2-CD1 4.43Å; F6-I10 HydrophobicContact CG-CD1 4.47Å; F6-I10 HydrophobicContact CZ-CD1 3.77Å; F6-I10 PolarHBondContact O-N 3.44Å; F6-I10 VanDerWaalsContact O-N 3.11Å; F7-I10 PolarHBondContact O-N 3.4Å; I10-G12 VanDerWaalsContact C-N 3.32Å; I10-G12 PolarHBondContact O-N 3.35Å; I10-I13 PolarHBondContact O-N 3.47Å; I10-W14 WeakPolarHBondContact O-CB 3.5Å; I10-W14 PolarHBondContact O-N 3.31Å
11L87Confident87.2Confident85 Ų85112.5 Ų112.545%0.44555%0.552SS.*Hα-helixtrans-61.6-40.1178.8-171.868.2000112.1F7 S9 W14 L15F7-L11 PolarHBondContact O-N 3.28Å; S9-L11 PolarHBondContact O-N 2.85Å; L11-W14 PolarHBondContact O-N 3.36Å; L11-L15 HydrophobicContact CG-CD1 4.21Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 PolarHBondContact O-N 2.88Å
12G91.7Very high88Confident41 Ų41106.5 Ų106.542%0.42352%0.524SS..Hα-helixtrans-63.1-44.3176.600000113R8 S9 I10 Y16R8-G12 PolarHBondContact O-N 3.23Å; R8-G12 VanDerWaalsContact O-N 3.16Å; S9-G12 PolarHBondContact O-N 3.4Å; I10-G12 VanDerWaalsContact C-N 3.32Å; I10-G12 PolarHBondContact O-N 3.35Å; G12-Y16 PolarHBondContact O-N 2.95Å; G12-Y16 VanDerWaalsContact O-N 3.09Å
13I91.3Very high88.4Confident95 Ų95103.8 Ų103.849%0.48751%0.509SS..Hα-helixtrans-62.5-43.8175.7-66.1166000110.5S9 I10 Y16 F17S9-I13 WeakPolarHBondContact O-CG1 3.24Å; S9-I13 PolarHBondContact O-N 2.97Å; S9-I13 VanDerWaalsContact O-N 3.09Å; I10-I13 PolarHBondContact O-N 3.47Å; I13-Y16 WeakPolarHBondContact O-CB 3.27Å; I13-Y16 PolarHBondContact O-N 2.87Å; I13-F17 HydrophobicContact CG2-CD2 3.83Å; I13-F17 HydrophobicContact CG2-CE2 3.69Å; I13-F17 VanDerWaalsContact O-CD2 3.3Å; I13-F17 WeakPolarHBondContact O-CD2 3.37Å; I13-F17 PolarHBondContact O-N 3.27Å; I13-F17 VanDerWaalsContact O-N 3.11Å
14W87.4Confident88.5Confident120 Ų120103.6 Ų103.646%0.45551%0.508SS..Hα-helixtrans-64.3-43.9-179.1-161.774.8000112.6I10 L11 Y16 F17 I18I10-W14 WeakPolarHBondContact O-CB 3.5Å; I10-W14 PolarHBondContact O-N 3.31Å; L11-W14 PolarHBondContact O-N 3.36Å; W14-Y16 VanDerWaalsContact C-N 3.33Å; W14-Y16 PolarHBondContact O-N 3.45Å; W14-F17 PolarHBondContact O-N 3.14Å; W14-I18 HydrophobicContact CD2-CD1 3.75Å; W14-I18 HydrophobicContact CE3-CD1 3.4Å; W14-I18 VanDerWaalsContact CE3-CD1 3.4Å; W14-I18 HydrophobicContact CH2-CD1 3.52Å; W14-I18 HydrophobicContact CZ2-CD1 3.84Å; W14-I18 HydrophobicContact CZ3-CD1 3.28Å; W14-I18 WeakPolarHBondContact O-CG1 3.35Å; W14-I18 PolarHBondContact O-N 3.27Å; W14-I18 VanDerWaalsContact O-N 3.1Å
15L90.6Very high88.5Confident102 Ų10299.6 Ų99.653%0.53449%0.493SS..Hα-helixtrans-63.3-36.8174.8-71.6170.9000112.5L11 I18 G19L11-L15 HydrophobicContact CG-CD1 4.21Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 PolarHBondContact O-N 2.88Å; L15-I18 PolarHBondContact O-N 3.16Å; L15-G19 PolarHBondContact O-N 3.45Å
16Y94Very high88.3Confident158 Ų15897.5 Ų97.562%0.6249%0.488SS*.Hα-helixtrans-62.5-46.4175.3179-95.1000112G12 I13 W14 I18 G19 L20G12-Y16 PolarHBondContact O-N 2.95Å; G12-Y16 VanDerWaalsContact O-N 3.09Å; I13-Y16 WeakPolarHBondContact O-CB 3.27Å; I13-Y16 PolarHBondContact O-N 2.87Å; W14-Y16 VanDerWaalsContact C-N 3.33Å; W14-Y16 PolarHBondContact O-N 3.45Å; Y16-I18 VanDerWaalsContact C-N 3.34Å; Y16-I18 PolarHBondContact O-N 3.16Å; Y16-G19 PolarHBondContact O-N 2.98Å; Y16-L20 PolarHBondContact O-N 2.93Å
17F91.7Very high87.8Confident131 Ų13194.9 Ų94.958%0.57548%0.48SS*.Hα-helixtrans-63-37.4176.4-83.2-70.3000112.9I13 W14 L20 L21I13-F17 HydrophobicContact CG2-CD2 3.83Å; I13-F17 HydrophobicContact CG2-CE2 3.69Å; I13-F17 VanDerWaalsContact O-CD2 3.3Å; I13-F17 WeakPolarHBondContact O-CD2 3.37Å; I13-F17 PolarHBondContact O-N 3.27Å; I13-F17 VanDerWaalsContact O-N 3.11Å; W14-F17 PolarHBondContact O-N 3.14Å; F17-L20 PolarHBondContact O-N 3.35Å; F17-L21 WeakPolarHBondContact O-CB 3.33Å; F17-L21 PolarHBondContact O-N 3.46Å
18I89.9Confident87.3Confident60 Ų6092.8 Ų92.831%0.30848%0.48SS..Hα-helixtrans-65.6-43.6174.6-71.2171.4000111.3W14 L15 Y16 L20 L21 L22W14-I18 HydrophobicContact CD2-CD1 3.75Å; W14-I18 HydrophobicContact CE3-CD1 3.4Å; W14-I18 VanDerWaalsContact CE3-CD1 3.4Å; W14-I18 HydrophobicContact CH2-CD1 3.52Å; W14-I18 HydrophobicContact CZ2-CD1 3.84Å; W14-I18 HydrophobicContact CZ3-CD1 3.28Å; W14-I18 WeakPolarHBondContact O-CG1 3.35Å; W14-I18 PolarHBondContact O-N 3.27Å; W14-I18 VanDerWaalsContact O-N 3.1Å; L15-I18 PolarHBondContact O-N 3.16Å; Y16-I18 VanDerWaalsContact C-N 3.34Å; Y16-I18 PolarHBondContact O-N 3.16Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 2.97Å; I18-L21 PolarHBondContact O-N 2.84Å; I18-L22 HydrophobicContact CG2-CD1 3.8Å; I18-L22 HydrophobicContact CG2-CG 4.3Å; I18-L22 WeakPolarHBondContact O-CB 3.43Å; I18-L22 VanDerWaalsContact O-CG 3.31Å; I18-L22 WeakPolarHBondContact O-CG 3.33Å; I18-L22 PolarHBondContact O-N 2.99Å
19G92.2Very high86.6Confident40 Ų4087.1 Ų87.141%0.41247%0.468SS..Hα-helixtrans-59.9-43175.400000112.6L15 Y16 S23L15-G19 PolarHBondContact O-N 3.45Å; Y16-G19 PolarHBondContact O-N 2.98Å; G19-S23 WeakPolarHBondContact O-CB 3.46Å; G19-S23 PolarHBondContact O-N 2.73Å
20L93.4Very high85.6Confident84 Ų8487.6 Ų87.644%0.4446%0.464SS..Hα-helixtrans-62.8-46.7175.7-167.578000111.7Y16 F17 I18 S23 L24Y16-L20 PolarHBondContact O-N 2.93Å; F17-L20 PolarHBondContact O-N 3.35Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 2.97Å; L20-S23 PolarHBondContact O-N 3.48Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.86Å
21L87.6Confident84.1Confident87 Ų8789.2 Ų89.246%0.45547%0.473SS..Hα-helixtrans-63.7-44.1179.4-174.668.2000111.9F17 I18 L24 I25F17-L21 WeakPolarHBondContact O-CB 3.33Å; F17-L21 PolarHBondContact O-N 3.46Å; I18-L21 PolarHBondContact O-N 2.84Å; L21-L24 PolarHBondContact O-N 3.47Å; L21-I25 HydrophobicContact CG-CD1 4.04Å; L21-I25 WeakPolarHBondContact O-CG1 3.39Å; L21-I25 PolarHBondContact O-N 3.39Å
22L87.1Confident82.5Confident86 Ų8691.7 Ų91.745%0.4548%0.483SS..Hα-helixtrans-61.2-43.9175.1-73.5171.1000111.2I18 L24 I25 F26I18-L22 HydrophobicContact CG2-CD1 3.8Å; I18-L22 HydrophobicContact CG2-CG 4.3Å; I18-L22 WeakPolarHBondContact O-CB 3.43Å; I18-L22 VanDerWaalsContact O-CG 3.31Å; I18-L22 WeakPolarHBondContact O-CG 3.33Å; I18-L22 PolarHBondContact O-N 2.99Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.1Å; L22-I25 PolarHBondContact O-N 2.85Å; L22-F26 WeakPolarHBondContact O-CB 3.32Å; L22-F26 WeakPolarHBondContact O-CD2 3.44Å; L22-F26 PolarHBondContact O-N 2.83Å
23S88.1Confident80.6Confident61 Ų6196.7 Ų96.743%0.42750%0.499SS..Hα-helixtrans-58.7-42.1176.3-173.30000112.4G19 L20 F26 N27G19-S23 WeakPolarHBondContact O-CB 3.46Å; G19-S23 PolarHBondContact O-N 2.73Å; L20-S23 PolarHBondContact O-N 3.48Å; S23-F26 PolarHBondContact O-N 3.39Å; S23-N27 WeakPolarHBondContact O-CB 3.27Å; S23-N27 PolarHBondContact O-N 2.94Å; S23-N27 PolarHBondContact O-ND2 3.12Å
24L85.6Confident78.7Confident109 Ų10996.3 Ų96.357%0.57150%0.501SS*.Hα-helixtrans-64.4-43.6175.3-70.4167.1000112.3L20 L21 L22 S28L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.86Å; L21-L24 PolarHBondContact O-N 3.47Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.1Å; L24-S28 WeakPolarHBondContact O-CB 3.37Å; L24-S28 PolarHBondContact O-N 3Å
25I82.8Confident76.9Confident72 Ų7293.3 Ų93.337%0.36950%0.496SS..Hα-helixtrans-64.8-43.7177.7-67.6166.5000111.1L21 L22 S28 S29L21-I25 HydrophobicContact CG-CD1 4.04Å; L21-I25 WeakPolarHBondContact O-CG1 3.39Å; L21-I25 PolarHBondContact O-N 3.39Å; L22-I25 PolarHBondContact O-N 2.85Å; I25-S28 PolarHBondContact O-N 3.49Å; I25-S29 WeakPolarHBondContact O-CB 3.26Å; I25-S29 PolarHBondContact O-N 3.18Å; I25-S29 PolarHBondContact O-OG 3.45Å
26F81Confident74.5Confident131 Ų13191.5 Ų91.558%0.57550%0.502SS*.Hα-helixtrans-64.4-47.1177.5-90.5-75.1000111.8L22 S23 S28 S29 I30L22-F26 WeakPolarHBondContact O-CB 3.32Å; L22-F26 WeakPolarHBondContact O-CD2 3.44Å; L22-F26 PolarHBondContact O-N 2.83Å; S23-F26 PolarHBondContact O-N 3.39Å; F26-S28 PolarHBondContact O-N 3.08Å; F26-S29 PolarHBondContact O-N 3.45Å; F26-I30 WeakPolarHBondContact O-CB 3.44Å; F26-I30 VanDerWaalsContact O-CG1 3.28Å; F26-I30 WeakPolarHBondContact O-CG1 3.44Å; F26-I30 PolarHBondContact O-N 2.86Å
27N75.5Confident72.2Confident89 Ų8988.3 Ų88.348%0.47650%0.495SS..Hα-helixtrans-61.4-42.2177.1-75.2-18.5000112.1S23 S29 I30 N31S23-N27 WeakPolarHBondContact O-CB 3.27Å; S23-N27 PolarHBondContact O-N 2.94Å; S23-N27 PolarHBondContact O-ND2 3.12Å; N27-S29 PolarHBondContact O-N 3.42Å; N27-I30 PolarHBondContact O-N 3.11Å; N27-N31 VanDerWaalsContact O-CG 3.24Å; N27-N31 PolarHBondContact O-N 2.8Å; N27-N31 VanDerWaalsContact O-N 3.1Å; N27-N31 PolarHBondContact O-ND2 2.84Å
28S74.9Confident69.7Low69 Ų6987.3 Ų87.348%0.48350%0.501SS..Hα-helixtrans-61.3-43.2175.4-173.90000112L24 I25 F26 N31 Q32L24-S28 WeakPolarHBondContact O-CB 3.37Å; L24-S28 PolarHBondContact O-N 3Å; I25-S28 PolarHBondContact O-N 3.49Å; F26-S28 PolarHBondContact O-N 3.08Å; S28-N31 PolarHBondContact O-N 3.43Å; S28-Q32 PolarHBondContact O-N 3.3Å
29S71.9Confident67.5Low62 Ų6287.5 Ų87.543%0.43450%0.503SS..Hα-helixtrans-68.8-40.1-179.9-56.70000112.7I25 F26 N27 Q32 L33I25-S29 WeakPolarHBondContact O-CB 3.26Å; I25-S29 PolarHBondContact O-N 3.18Å; I25-S29 PolarHBondContact O-OG 3.45Å; F26-S29 PolarHBondContact O-N 3.45Å; N27-S29 PolarHBondContact O-N 3.42Å; S29-Q32 PolarHBondContact O-N 3.38Å; S29-L33 PolarHBondContact O-N 3.05Å
30I67Low65.1Low78 Ų7890.5 Ų90.540%0.451%0.509SS..Hα-helixtrans-65.1-41.2177.6-70.3167.1000110.6F26 N27 Q32 L33 V34F26-I30 WeakPolarHBondContact O-CB 3.44Å; F26-I30 VanDerWaalsContact O-CG1 3.28Å; F26-I30 WeakPolarHBondContact O-CG1 3.44Å; F26-I30 PolarHBondContact O-N 2.86Å; N27-I30 PolarHBondContact O-N 3.11Å; I30-Q32 VanDerWaalsContact C-N 3.27Å; I30-Q32 PolarHBondContact O-N 3.06Å; I30-L33 PolarHBondContact O-N 3.19Å; I30-L33 VanDerWaalsContact O-N 3.07Å; I30-V34 HydrophobicContact CG2-CG2 3.79Å; I30-V34 WeakPolarHBondContact O-CB 3.26Å; I30-V34 WeakPolarHBondContact O-CG2 3.26Å; I30-V34 PolarHBondContact O-N 3.38Å
31N54.9Low62.8Low113 Ų11393.4 Ų93.460%0.60452%0.518SS*.Hα-helixtrans-61.6-33.6176.9-71.3-10.8000112.8N27 S28 T35N27-N31 VanDerWaalsContact O-CG 3.24Å; N27-N31 PolarHBondContact O-N 2.8Å; N27-N31 VanDerWaalsContact O-N 3.1Å; N27-N31 PolarHBondContact O-ND2 2.84Å; S28-N31 PolarHBondContact O-N 3.43Å; N31-T35 WeakPolarHBondContact O-CG2 3.23Å; N31-T35 PolarHBondContact O-OG1 2.95Å
32Q54.3Low60.4Low138 Ų13891.9 Ų91.965%0.64551%0.513SS*.Hα-helixtrans-71-40.1171.5-67.7-1723.500112.5S28 S29 I30 T35S28-Q32 PolarHBondContact O-N 3.3Å; S29-Q32 PolarHBondContact O-N 3.38Å; I30-Q32 VanDerWaalsContact C-N 3.27Å; I30-Q32 PolarHBondContact O-N 3.06Å; Q32-T35 PolarHBondContact O-OG1 2.85Å
33L51Low58.4Low145 Ų14595.2 Ų95.276%0.75952%0.524SS*.Hα-helixtrans-71.8-44.4-176.8-165.173.8000112.7S29 I30 T35 G36S29-L33 PolarHBondContact O-N 3.05Å; I30-L33 PolarHBondContact O-N 3.19Å; I30-L33 VanDerWaalsContact O-N 3.07Å; L33-T35 PolarHBondContact O-N 3.43Å; L33-G36 PolarHBondContact O-N 2.85Å
34V51.8Low56.2Low87 Ų8799.1 Ų99.153%0.52754%0.536SS..Hα-helixtrans-68-33.6-173.8171.90000112.3I30 G36I30-V34 HydrophobicContact CG2-CG2 3.79Å; I30-V34 WeakPolarHBondContact O-CB 3.26Å; I30-V34 WeakPolarHBondContact O-CG2 3.26Å; I30-V34 PolarHBondContact O-N 3.38Å; V34-G36 PolarHBondContact O-N 3.32Å
35T48.7Very low54.8Low57 Ų5799.1 Ų99.135%0.3554%0.536SS..THydrogen-bonded Turntrans-71.2-18.3-179.653.20000113.2N31 Q32 L33 I37N31-T35 WeakPolarHBondContact O-CG2 3.23Å; N31-T35 PolarHBondContact O-OG1 2.95Å; Q32-T35 PolarHBondContact O-OG1 2.85Å; L33-T35 PolarHBondContact O-N 3.43Å; T35-I37 WeakPolarHBondContact O-CG1 3.24Å; T35-I37 PolarHBondContact O-N 3.44Å
36G40.8Very low54Low64 Ų64103.1 Ų103.166%0.6656%0.558SS**  trans62.43.4176.400000115.2L33 V34L33-G36 PolarHBondContact O-N 2.85Å; V34-G36 PolarHBondContact O-N 3.32Å
37I45.5Very low53.9Low91 Ų9199.1 Ų99.147%0.46755%0.547SS..  trans-98.8118.6179.2-63.5160.9000106.7T35 L39T35-I37 WeakPolarHBondContact O-CG1 3.24Å; T35-I37 PolarHBondContact O-N 3.44Å; I37-L39 HydrophobicContact CB-CD2 4.27Å; I37-L39 HydrophobicContact CB-CG 4.31Å; I37-L39 HydrophobicContact CG2-CD2 3.63Å; I37-L39 HydrophobicContact CG2-CG 3.98Å; I37-L39 PolarHBondContact O-N 2.81Å
38P39.6Very low54.1Low110 Ų11097.2 Ų97.271%0.71454%0.538SS*.  trans-66.591.2163.527.5-31.9000108.2N40P38-N40 PolarHBondContact O-N 3.02Å
39L44.5Very low54.5Low65 Ų6595.6 Ų95.634%0.3452%0.522SS..  trans-69.873.5179.7-70.2171.4000110.3I37 F41 T42 L51I37-L39 HydrophobicContact CB-CD2 4.27Å; I37-L39 HydrophobicContact CB-CG 4.31Å; I37-L39 HydrophobicContact CG2-CD2 3.63Å; I37-L39 HydrophobicContact CG2-CG 3.98Å; I37-L39 PolarHBondContact O-N 2.81Å; L39-F41 PolarHBondContact O-N 3.46Å; L39-T42 HydrophobicContact CB-CG2 4.42Å; L39-T42 HydrophobicContact CD1-CG2 4.45Å; L39-T42 HydrophobicContact CD2-CG2 4.15Å; L39-L51 HydrophobicContact CD2-CD2 3.25Å
40N42Very low54.8Low103 Ų10396.1 Ų96.155%0.55152%0.518SS*.THydrogen-bonded Turntrans-66.899.8170.3-79.4-22000109.1P38P38-N40 PolarHBondContact O-N 3.02Å
41F44.3Very low55.4Low144 Ų14493.1 Ų93.163%0.63250%0.503SS*.THydrogen-bonded Turntrans67.779.1176.4-56.5-84.3000116L39L39-F41 PolarHBondContact O-N 3.46Å
42T38Very low56.4Low55 Ų5592.6 Ų92.634%0.33750%0.495SS..  trans-85.1103153.3390000110.3L39 E44L39-T42 HydrophobicContact CB-CG2 4.42Å; L39-T42 HydrophobicContact CD1-CG2 4.45Å; L39-T42 HydrophobicContact CD2-CG2 4.15Å; T42-E44 PolarHBondContact O-N 3.49Å
43F44.4Very low57.5Low157 Ų15788.3 Ų88.369%0.68948%0.475SS*.  trans-76.6100.4151.4-70.3-81.4000106.9
44E41.9Very low58.5Low143 Ų14384.8 Ų84.867%0.66846%0.462SS*.  trans-92.5103.5175.2-166150.6-127.900108.4T42 K49T42-E44 PolarHBondContact O-N 3.49Å; E44-K49 IonicContact OE1-NZ 2.73Å
45N56.5Low60.1Low108 Ų10881.8 Ų81.858%0.57844%0.443SS*.BIsolated β-bridgetrans-108.7145154.3-176.5-6000104.9S47 V48N45-S47 PolarHBondContact O-N 3.45Å; N45-V48 PolarHBondContact O-N 2.74Å; N45-V48 VanDerWaalsContact O-O 3.07Å
46D64.8Low62Low157 Ų15779.2 Ų79.284%0.8443%0.427SS*.THydrogen-bonded Turntrans-53.8-18.5-171.8-60.1-27.8000114.3
47S78.9Confident64.4Low47 Ų4777.9 Ų77.933%0.32941%0.405SS..THydrogen-bonded Turntrans-92.8-20.7178.452.60000115.7N45 K61 F62N45-S47 PolarHBondContact O-N 3.45Å; S47-K61 CarbonylContact O-C 3.35Å; S47-K61 VanDerWaalsContact O-CA 3.25Å; S47-K61 WeakPolarHBondContact O-CA 3.48Å; S47-F62 PolarHBondContact O-N 3.27Å
48V81.4Confident66.7Low48 Ų4873.5 Ų73.529%0.29138%0.382SS..EExtended strand (participates in β ladder)trans-143.1132-168.4-174.30000112.9N45 L59 I60 K61N45-V48 PolarHBondContact O-N 2.74Å; N45-V48 VanDerWaalsContact O-O 3.07Å; V48-L59 HydrophobicContact CG1-CD1 3.46Å; V48-L59 VanDerWaalsContact CG1-CD1 3.46Å; V48-L59 HydrophobicContact CG1-CG 4.43Å; V48-I60 CarbonylContact C-O 3.5Å; V48-I60 VanDerWaalsContact CA-O 3.3Å; V48-I60 WeakPolarHBondContact CA-O 3.43Å; V48-K61 HydrophobicContact CG2-CG 4.3Å
49K81.5Confident69.3Low36 Ų3669.9 Ų69.916%0.15736%0.357CS..EExtended strand (participates in β ladder)trans-128.7129.5173.3-175.3167.1-169.6148.30111.2E44 I60 L228E44-K49 IonicContact OE1-NZ 2.73Å; K49-I60 HydrophobicContact CB-CB 4.33Å; K49-I60 PolarHBondContact N-O 2.9Å; K49-I60 PolarHBondContact O-N 2.92Å; K49-L228 HydrophobicContact CD-CD1 4.43Å; K49-L228 HydrophobicContact CD-CD2 4.19Å
50Q78.8Confident71.6Confident73 Ų7366.8 Ų66.834%0.34134%0.34SS..EExtended strand (participates in β ladder)trans-108.4137.1176.8-169.5174.2-4.100110.7I57 Q58 L59Q50-I57 HydrophobicContact CG-CG2 3.96Å; Q50-I57 VanDerWaalsContact NE2-CG2 3.33Å; Q50-Q58 CarbonylContact C-O 3.48Å; Q50-Q58 WeakPolarHBondContact CA-O 3.31Å; Q50-L59 HydrophobicContact CB-CD1 4.47Å
51L80.4Confident74.2Confident15 Ų1564.5 Ų64.58%0.07933%0.326CS..EExtended strand (participates in β ladder)trans-135.3143.1178.1-63.8172.7000109.3L39 Q58 I60L39-L51 HydrophobicContact CD2-CD2 3.25Å; L51-Q58 HydrophobicContact CB-CB 4.19Å; L51-Q58 PolarHBondContact N-O 2.86Å; L51-Q58 PolarHBondContact O-N 3.24Å; L51-I60 HydrophobicContact CD1-CD1 4.33Å
52K74.8Confident76.5Confident102 Ų10259 Ų5944%0.44330%0.301SS..EExtended strand (participates in β ladder)trans-113.9120.6-178.2-166.2160.6-163.8167.60112.2D240 A259K52-D240 WeakPolarHBondContact CE-OD2 3.42Å; K52-D240 IonicContact NZ-OD2 3.57Å; K52-D240 PolarHBondContact NZ-OD2 3.47Å; K52-A259 HydrophobicContact CD-CB 4.32Å
53H77.4Confident79.1Confident47 Ų4762.1 Ų62.122%0.21832%0.316CS..EExtended strand (participates in β ladder)trans-110.9160.7174.5-54.1-78000109.6N55 Y56 Q58 I222H53-N55 PolarHBondContact O-N 3.49Å; H53-Y56 CarbonylContact C-O 3.59Å; H53-Y56 WeakPolarHBondContact CA-O 3.12Å; H53-Y56 WeakPolarHBondContact CB-O 3.14Å; H53-Y56 PolarHBondContact N-O 2.61Å; H53-Y56 PolarHBondContact O-N 3.08Å; H53-Y56 VanDerWaalsContact O-O 3.08Å; H53-Q58 PolarHBondContact NE2-OE1 3.16Å; H53-I222 HydrophobicContact CB-CD1 4Å; H53-I222 HydrophobicContact CB-CG1 3.9Å
54S73.7Confident81.4Confident72 Ų7257.5 Ų57.550%0.50330%0.297SS..THydrogen-bonded Turntrans-54-27.6-167.7-500000116.2
55N83.7Confident83.7Confident24 Ų2455.4 Ų55.413%0.12830%0.295CS..THydrogen-bonded Turntrans-131.34.9178.5-56.1-64000113.6H53 Y95 D240 I242H53-N55 PolarHBondContact O-N 3.49Å; N55-Y95 HydrophobicContact CB-CD1 4.07Å; N55-Y95 HydrophobicContact CB-CE1 4.21Å; N55-Y95 VanDerWaalsContact ND2-CD1 3.32Å; N55-Y95 WeakPolarHBondContact ND2-CD1 3.21Å; N55-Y95 WeakPolarHBondContact ND2-CE1 3.41Å; N55-D240 PolarHBondContact O-N 3.18Å; N55-I242 HydrophobicContact CB-CG2 4.14Å
56Y90.1Very high84.7Confident3 Ų352.1 Ų52.11%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-145.2136.8-176-76.8-88.3000111.4H53 Y95 I178 I222 F237 I238 P239H53-Y56 CarbonylContact C-O 3.59Å; H53-Y56 WeakPolarHBondContact CA-O 3.12Å; H53-Y56 WeakPolarHBondContact CB-O 3.14Å; H53-Y56 PolarHBondContact N-O 2.61Å; H53-Y56 PolarHBondContact O-N 3.08Å; H53-Y56 VanDerWaalsContact O-O 3.08Å; Y56-Y95 HydrophobicContact CD2-CE2 4.14Å; Y56-Y95 HydrophobicContact CE2-CD1 4.49Å; Y56-Y95 AromaticContact CE2-CD2 3.64Å; Y56-Y95 HydrophobicContact CE2-CD2 3.64Å; Y56-Y95 HydrophobicContact CE2-CE1 4.41Å; Y56-Y95 AromaticContact CE2-CE2 3.56Å; Y56-Y95 HydrophobicContact CE2-CE2 3.56Å; Y56-Y95 HydrophobicContact CE2-CG 4.13Å; Y56-Y95 AromaticContact CE2-CZ 3.98Å; Y56-Y95 PolarHBondContact OH-N 3.26Å; Y56-I178 HydrophobicContact CE1-CD1 4.12Å; Y56-I222 HydrophobicContact CD2-CD1 3.94Å; Y56-I222 HydrophobicContact CG-CD1 4.08Å; Y56-F237 HydrophobicContact CD1-CB 3.73Å; Y56-F237 HydrophobicContact CE1-CB 4.37Å; Y56-F237 HydrophobicContact CG-CB 4.38Å; Y56-I238 CarbonylContact C-O 3.46Å; Y56-I238 WeakPolarHBondContact CA-O 3.39Å; Y56-P239 HydrophobicContact CD1-CG 4.39Å; Y56-P239 HydrophobicContact CE1-CB 4.26Å; Y56-P239 HydrophobicContact CE1-CG 3.83Å
57I90.6Very high84.9Confident35 Ų3549.2 Ų49.218%0.17927%0.273CS..EExtended strand (participates in β ladder)trans-92.1119.4164.7-60.2172.3000106.9Q50 F237 I238 D240Q50-I57 HydrophobicContact CG-CG2 3.96Å; Q50-I57 VanDerWaalsContact NE2-CG2 3.33Å; I57-F237 CarbonylContact O-C 3.55Å; I57-F237 WeakPolarHBondContact O-CA 3.47Å; I57-I238 PolarHBondContact N-O 3.24Å; I57-I238 PolarHBondContact O-N 3.37Å; I57-D240 HydrophobicContact CG1-CB 4.43Å
58Q93.3Very high84.4Confident0 Ų048.3 Ų48.30%026%0.264CS..EExtended strand (participates in β ladder)trans-93.6131.3173.7174.1-177.22.400109.5Q50 L51 H53 I60 I235 E236 F237Q50-Q58 CarbonylContact C-O 3.48Å; Q50-Q58 WeakPolarHBondContact CA-O 3.31Å; L51-Q58 HydrophobicContact CB-CB 4.19Å; L51-Q58 PolarHBondContact N-O 2.86Å; L51-Q58 PolarHBondContact O-N 3.24Å; H53-Q58 PolarHBondContact NE2-OE1 3.16Å; Q58-I60 HydrophobicContact CG-CG1 4.17Å; Q58-I235 HydrophobicContact CG-CG2 3.8Å; Q58-E236 CarbonylContact C-O 3.56Å; Q58-E236 WeakPolarHBondContact CA-O 3.46Å; Q58-F237 HydrophobicContact CB-CD1 3.83Å; Q58-F237 HydrophobicContact CB-CE1 3.82Å; Q58-F237 HydrophobicContact CG-CD1 4.01Å; Q58-F237 HydrophobicContact CG-CE1 3.55Å; Q58-F237 HydrophobicContact CG-CZ 4.07Å
59L94.1Very high83.6Confident33 Ų3354.6 Ų54.617%0.17329%0.29CS..EExtended strand (participates in β ladder)trans-124.9113.7177.4-176.767.3000108.6V48 Q50 K61 I235 E236V48-L59 HydrophobicContact CG1-CD1 3.46Å; V48-L59 VanDerWaalsContact CG1-CD1 3.46Å; V48-L59 HydrophobicContact CG1-CG 4.43Å; Q50-L59 HydrophobicContact CB-CD1 4.47Å; L59-K61 VanDerWaalsContact CD2-CE 3.46Å; L59-K61 HydrophobicContact CG-CG 4.44Å; L59-I235 CarbonylContact O-C 3.55Å; L59-I235 WeakPolarHBondContact O-CA 3.49Å; L59-E236 HydrophobicContact CB-CB 4.45Å; L59-E236 PolarHBondContact N-O 3.41Å; L59-E236 PolarHBondContact O-N 3.26Å
60I94.2Very high82.9Confident0 Ų058.4 Ų58.40%030%0.304CS..EExtended strand (participates in β ladder)trans-101.2132.7176.9-54.4170000107.6V48 K49 L51 Q58 F62 L228 T233 F234 I235V48-I60 CarbonylContact C-O 3.5Å; V48-I60 VanDerWaalsContact CA-O 3.3Å; V48-I60 WeakPolarHBondContact CA-O 3.43Å; K49-I60 HydrophobicContact CB-CB 4.33Å; K49-I60 PolarHBondContact N-O 2.9Å; K49-I60 PolarHBondContact O-N 2.92Å; L51-I60 HydrophobicContact CD1-CD1 4.33Å; Q58-I60 HydrophobicContact CG-CG1 4.17Å; I60-F62 HydrophobicContact CG2-CD1 4.4Å; I60-F62 HydrophobicContact CG2-CE1 3.8Å; I60-F62 HydrophobicContact CG2-CE2 4.29Å; I60-F62 HydrophobicContact CG2-CZ 3.74Å; I60-L228 HydrophobicContact CD1-CB 4.15Å; I60-L228 HydrophobicContact CD1-CD1 3.59Å; I60-L228 HydrophobicContact CD1-CG 4.34Å; I60-T233 HydrophobicContact CG2-CG2 3.88Å; I60-F234 CarbonylContact C-O 3.59Å; I60-F234 WeakPolarHBondContact CA-O 3.22Å; I60-I235 HydrophobicContact CG1-CD1 4.23Å; I60-I235 HydrophobicContact CG1-CG1 4.19Å; I60-I235 HydrophobicContact CG1-CG2 4.04Å; I60-I235 HydrophobicContact CG2-CG1 4.25Å
61K94.7Very high82.7Confident56 Ų5656.7 Ų56.724%0.24331%0.306CS..EExtended strand (participates in β ladder)trans-128.1129.8174.2-52.4-179.7-172.7167.40109.7S47 V48 L59 Q64 F234S47-K61 CarbonylContact O-C 3.35Å; S47-K61 VanDerWaalsContact O-CA 3.25Å; S47-K61 WeakPolarHBondContact O-CA 3.48Å; V48-K61 HydrophobicContact CG2-CG 4.3Å; L59-K61 VanDerWaalsContact CD2-CE 3.46Å; L59-K61 HydrophobicContact CG-CG 4.44Å; K61-Q64 HydrophobicContact CB-CG 3.55Å; K61-F234 HydrophobicContact CB-CB 4.41Å; K61-F234 HydrophobicContact CD-CD1 4.13Å; K61-F234 HydrophobicContact CG-CD1 4.42Å; K61-F234 PolarHBondContact N-O 3.38Å; K61-F234 PolarHBondContact O-N 2.86Å
62F93.2Very high83Confident27 Ų2764 Ų6412%0.11835%0.346CS..SBendtrans-95.4160.4179.4-59.5-65.3000112.2S47 I60 Q64 L228 K230 T233S47-F62 PolarHBondContact O-N 3.27Å; I60-F62 HydrophobicContact CG2-CD1 4.4Å; I60-F62 HydrophobicContact CG2-CE1 3.8Å; I60-F62 HydrophobicContact CG2-CE2 4.29Å; I60-F62 HydrophobicContact CG2-CZ 3.74Å; F62-Q64 PolarHBondContact O-N 2.9Å; F62-Q64 VanDerWaalsContact O-N 3.08Å; F62-Q64 PolarHBondContact O-NE2 3.09Å; F62-L228 HydrophobicContact CZ-CD2 3.98Å; F62-K230 HydrophobicContact CD1-CG 4.44Å; F62-T233 HydrophobicContact CD1-CG2 3.96Å; F62-T233 HydrophobicContact CE1-CG2 4.04Å
63N93Very high83.7Confident122 Ų12260.5 Ų60.565%0.65233%0.33SS*.SBendtrans51.534.6174.2-53.5-19.8000113.3N232N63-N232 PolarHBondContact N-O 3Å
64Q92.4Very high84.5Confident59 Ų5964.1 Ų64.128%0.27635%0.346SS..  trans-78.9133.9-179.7-60.7-60.7-82.500109.7K61 F62 F181 N232 F234K61-Q64 HydrophobicContact CB-CG 3.55Å; F62-Q64 PolarHBondContact O-N 2.9Å; F62-Q64 VanDerWaalsContact O-N 3.08Å; F62-Q64 PolarHBondContact O-NE2 3.09Å; Q64-F181 HydrophobicContact CB-CE2 4.29Å; Q64-N232 PolarHBondContact N-O 3.38Å; Q64-F234 HydrophobicContact CB-CB 4.19Å; Q64-F234 HydrophobicContact CG-CB 3.83Å
65P89.9Confident85.4Confident99 Ų9967.4 Ų67.464%0.64335%0.352SS*.  trans-62.9151.8167.629.5-34.5000109.4S67P65-S67 PolarHBondContact O-N 2.97Å
66S78.5Confident85.9Confident40 Ų4068.2 Ų68.228%0.2836%0.356SS..  trans-64.196.3172.7-170.80000109.8I68 Y70S66-I68 VanDerWaalsContact C-N 3.3Å; S66-Y70 PolarHBondContact OG-OH 3.11Å
67S69.3Low86Confident96 Ų9672.6 Ų72.667%0.67139%0.392SS*.  trans-85.9-4.2178.261.70000112.9P65 H69P65-S67 PolarHBondContact O-N 2.97Å; S67-H69 PolarHBondContact O-N 3.32Å; S67-H69 VanDerWaalsContact O-N 3.16Å
68I67.5Low86Confident27 Ų2771.5 Ų71.514%0.13839%0.387CS..SBendtrans-78.2103.1-178.9-56.9-178.2000107.9S66 Y70 I169 F181S66-I68 VanDerWaalsContact C-N 3.3Å; I68-Y70 PolarHBondContact O-N 3.28Å; I68-Y70 VanDerWaalsContact O-N 3.12Å; I68-I169 HydrophobicContact CD1-CB 3.96Å; I68-I169 HydrophobicContact CD1-CD1 4.11Å; I68-I169 HydrophobicContact CD1-CG2 3.62Å; I68-F181 HydrophobicContact CD1-CB 3.91Å
69H64.6Low85.7Confident180 Ų18076.7 Ų76.783%0.83341%0.414SS*.  trans-52.7120.4174.4-103.7-56.8000110.5S67 G71S67-H69 PolarHBondContact O-N 3.32Å; S67-H69 VanDerWaalsContact O-N 3.16Å; H69-G71 VanDerWaalsContact C-N 3.3Å; H69-G71 PolarHBondContact O-N 3.34Å
70Y66.1Low85.5Confident117 Ų11777.2 Ų77.246%0.45942%0.419SS..  trans-70.486.9172.9-57.6-86.4000109.7S66 I68 Y73 E183S66-Y70 PolarHBondContact OG-OH 3.11Å; I68-Y70 PolarHBondContact O-N 3.28Å; I68-Y70 VanDerWaalsContact O-N 3.12Å; Y70-Y73 AromaticContact CD1-CE2 3.98Å; Y70-Y73 HydrophobicContact CD1-CE2 3.98Å; Y70-E183 PolarHBondContact OH-OE1 3.48Å
71G75.6Confident85.1Confident37 Ų3784.6 Ų84.638%0.38146%0.458SS..  trans-69.9179.516400000111.4H69 Y73H69-G71 VanDerWaalsContact C-N 3.3Å; H69-G71 PolarHBondContact O-N 3.34Å; G71-Y73 VanDerWaalsContact C-N 3.3Å; G71-Y73 VanDerWaalsContact O-CD2 3.3Å; G71-Y73 WeakPolarHBondContact O-CD2 3.23Å; G71-Y73 PolarHBondContact O-N 3.45Å
72N86.1Confident84.9Confident169 Ų16986.8 Ų86.890%0.90447%0.472SS*.  trans-68.589.1171.4-67.7-12.7000109.5
73Y90.2Very high84.9Confident28 Ų2887.4 Ų87.411%0.1148%0.479CS..  trans-65129.6170.5-72.5-87.3000110.1Y70 G71 K75 E137 V138 I139 T146 R148Y70-Y73 AromaticContact CD1-CE2 3.98Å; Y70-Y73 HydrophobicContact CD1-CE2 3.98Å; G71-Y73 VanDerWaalsContact C-N 3.3Å; G71-Y73 VanDerWaalsContact O-CD2 3.3Å; G71-Y73 WeakPolarHBondContact O-CD2 3.23Å; G71-Y73 PolarHBondContact O-N 3.45Å; Y73-K75 PolarHBondContact O-N 3.1Å; Y73-E137 HydrophobicContact CD1-CB 3.7Å; Y73-E137 HydrophobicContact CE1-CB 4.49Å; Y73-E137 HydrophobicContact CG-CB 3.93Å; Y73-V138 WeakPolarHBondContact CA-O 3.34Å; Y73-I139 HydrophobicContact CD1-CB 4.41Å; Y73-I139 HydrophobicContact CD1-CD1 3.69Å; Y73-I139 HydrophobicContact CD1-CG1 3.53Å; Y73-I139 HydrophobicContact CD2-CD1 3.85Å; Y73-I139 HydrophobicContact CD2-CG1 4.37Å; Y73-I139 HydrophobicContact CE1-CB 4.44Å; Y73-I139 HydrophobicContact CE1-CD1 3.54Å; Y73-I139 HydrophobicContact CE1-CG1 3.78Å; Y73-I139 HydrophobicContact CE2-CD1 3.71Å; Y73-I139 HydrophobicContact CG-CD1 3.84Å; Y73-I139 HydrophobicContact CG-CG1 3.85Å; Y73-T146 HydrophobicContact CE1-CG2 4.01Å; Y73-R148 HydrophobicContact CE1-CB 4.11Å
74E92.8Very high85Confident122 Ų12283.6 Ų83.657%0.5746%0.458SS*.EExtended strand (participates in β ladder)trans-71.4121.1163.8-168.9175.9177.700108.4L76 E137 V138E74-L76 HydrophobicContact CG-CD1 4.45Å; E74-L76 HydrophobicContact CG-CD2 4.05Å; E74-L76 HydrophobicContact CG-CG 4.12Å; E74-E137 WeakPolarHBondContact O-CA 3.07Å; E74-V138 PolarHBondContact N-O 2.95Å; E74-V138 PolarHBondContact O-N 3.45Å
75K94.2Very high85.1Confident141 Ų14184.6 Ų84.661%0.61346%0.462SS*.EExtended strand (participates in β ladder)trans-92.6112.6-178.4-80.5176.1175.5-176.20109.5Y73 E137Y73-K75 PolarHBondContact O-N 3.1Å; K75-E137 WeakPolarHBondContact CE-OE1 3.47Å; K75-E137 HydrophobicContact CG-CG 3.81Å
76L94.3Very high85.4Confident42 Ų4280.6 Ų80.622%0.2244%0.436CS..EExtended strand (participates in β ladder)trans-118.1129.9-176.6-61.6172000109.9E74 L84 V136 V138E74-L76 HydrophobicContact CG-CD1 4.45Å; E74-L76 HydrophobicContact CG-CD2 4.05Å; E74-L76 HydrophobicContact CG-CG 4.12Å; L76-L84 HydrophobicContact CD1-CD1 4Å; L76-L84 HydrophobicContact CD1-CD2 3.41Å; L76-L84 VanDerWaalsContact CD1-CD2 3.41Å; L76-L84 HydrophobicContact CD1-CG 4.36Å; L76-V136 HydrophobicContact CB-CG2 4.03Å; L76-V136 PolarHBondContact N-O 3Å; L76-V136 PolarHBondContact O-N 3.22Å; L76-V138 HydrophobicContact CD1-CG2 4.31Å
77A92.1Very high86.2Confident94 Ų9481.9 Ų81.978%0.77744%0.439SS*.EExtended strand (participates in β ladder)trans-83.3129.1169.600000108.8
78L89.6Confident87.4Confident12 Ų1277.9 Ų77.96%0.06341%0.411CS..EExtended strand (participates in β ladder)trans-103.1130.5174.8-59.9-168.8000110.3L84 S133 G134 V136L78-L84 HydrophobicContact CD2-CB 3.72Å; L78-S133 WeakPolarHBondContact O-CA 3.39Å; L78-G134 PolarHBondContact N-O 2.99Å; L78-G134 PolarHBondContact O-N 3.05Å; L78-G134 VanDerWaalsContact O-N 3.11Å; L78-V136 HydrophobicContact CD1-CB 4.3Å; L78-V136 HydrophobicContact CD1-CG1 3.48Å; L78-V136 VanDerWaalsContact CD1-CG1 3.48Å; L78-V136 HydrophobicContact CD1-CG2 3.86Å; L78-V136 HydrophobicContact CD2-CG2 3.9Å; L78-V136 HydrophobicContact CG-CG1 4.06Å; L78-V136 HydrophobicContact CG-CG2 3.8Å
79I88.1Confident88.8Confident109 Ų10983.2 Ų83.256%0.55943%0.433SS*.PPolyproline II helixtrans-78.9143.8169.2-58.6174.2000107.5I82I79-I82 HydrophobicContact CB-CB 4.31Å; I79-I82 HydrophobicContact CB-CD1 4.08Å; I79-I82 HydrophobicContact CB-CG1 4.37Å; I79-I82 HydrophobicContact CD1-CD1 4.28Å; I79-I82 HydrophobicContact CG2-CD1 3.85Å; I79-I82 HydrophobicContact CG2-CG1 4.26Å; I79-I82 PolarHBondContact O-N 3.08Å
80P88.8Confident90.2Very high44 Ų4475 Ų7529%0.28640%0.395SS..THydrogen-bonded Turntrans-49.6143.2172.1-25.433.2000111.7I82 G131 S133P80-I82 PolarHBondContact O-N 3.21Å; P80-G131 WeakPolarHBondContact CA-O 3.35Å; P80-G131 WeakPolarHBondContact CB-O 3.39Å; P80-S133 WeakPolarHBondContact CD-OG 3.23Å; P80-S133 WeakPolarHBondContact CG-OG 3.5Å
81D85.8Confident91.5Very high155 Ų15571.9 Ų71.983%0.82939%0.389SS*.THydrogen-bonded Turntrans59.8-0.8176.1-51.5-49.9000116.8P83D81-P83 WeakPolarHBondContact O-CD 3.35Å
82I91.3Very high92.3Very high103 Ų10370.3 Ų70.353%0.52837%0.372SS..  trans-105.4101.5176.1-56-176.6000109.5I79 P80I79-I82 HydrophobicContact CB-CB 4.31Å; I79-I82 HydrophobicContact CB-CD1 4.08Å; I79-I82 HydrophobicContact CB-CG1 4.37Å; I79-I82 HydrophobicContact CD1-CD1 4.28Å; I79-I82 HydrophobicContact CG2-CD1 3.85Å; I79-I82 HydrophobicContact CG2-CG1 4.26Å; I79-I82 PolarHBondContact O-N 3.08Å; P80-I82 PolarHBondContact O-N 3.21Å
83P92.8Very high92.6Very high40 Ų4063.8 Ų63.826%0.2634%0.335SS..PPolyproline II helixtrans-73.4137.9177.329.5-34.1000111.6D81 H85 K103 I104D81-P83 WeakPolarHBondContact O-CD 3.35Å; P83-H85 PolarHBondContact O-N 2.93Å; P83-K103 HydrophobicContact CB-CB 3.95Å; P83-K103 HydrophobicContact CB-CD 4.34Å; P83-K103 HydrophobicContact CB-CG 4.1Å; P83-K103 HydrophobicContact CG-CB 4.43Å; P83-K103 HydrophobicContact CG-CD 3.9Å; P83-K103 HydrophobicContact CG-CG 4.16Å; P83-I104 CarbonylContact C-O 3.56Å; P83-I104 VanDerWaalsContact CA-O 3.31Å; P83-I104 WeakPolarHBondContact CA-O 3Å
84L94.7Very high92.6Very high41 Ų4162.6 Ų62.622%0.21533%0.33CS..EExtended strand (participates in β ladder)trans-67.7116.4168.3170.867.8000109.8L76 L78 I86 K103 I104 V136 V138L76-L84 HydrophobicContact CD1-CD1 4Å; L76-L84 HydrophobicContact CD1-CD2 3.41Å; L76-L84 VanDerWaalsContact CD1-CD2 3.41Å; L76-L84 HydrophobicContact CD1-CG 4.36Å; L78-L84 HydrophobicContact CD2-CB 3.72Å; L84-I86 HydrophobicContact CD2-CD1 3.99Å; L84-I86 HydrophobicContact CD2-CG1 4.24Å; L84-I86 HydrophobicContact CG-CD1 4.3Å; L84-I86 HydrophobicContact CG-CG1 4Å; L84-K103 CarbonylContact O-C 3.51Å; L84-K103 WeakPolarHBondContact O-CA 3.3Å; L84-I104 HydrophobicContact CB-CB 4.31Å; L84-I104 HydrophobicContact CD2-CD1 4.29Å; L84-I104 PolarHBondContact N-O 2.04Å; L84-I104 PolarHBondContact O-N 2.9Å; L84-V136 HydrophobicContact CD2-CG2 4.12Å; L84-V138 HydrophobicContact CD2-CG2 4.08Å
85H94.8Very high92.2Very high80 Ų8057.3 Ų57.337%0.3731%0.305SS..EExtended strand (participates in β ladder)trans-84.2129174.5-175.3-83.1000110.6P83 D87 I101P83-H85 PolarHBondContact O-N 2.93Å; H85-D87 IonicContact CE1-OD1 2.73Å; H85-D87 IonicContact CE1-OD2 3.61Å; H85-I101 VanDerWaalsContact NE2-CG2 3.27Å; H85-I101 WeakPolarHBondContact NE2-CG2 3.27Å
86I95.4Very high91.8Very high16 Ų1651 Ų518%0.08228%0.281CS..EExtended strand (participates in β ladder)trans-129120175.4-56-171.3000110L84 T88 V102 I104 V138 L145L84-I86 HydrophobicContact CD2-CD1 3.99Å; L84-I86 HydrophobicContact CD2-CG1 4.24Å; L84-I86 HydrophobicContact CG-CD1 4.3Å; L84-I86 HydrophobicContact CG-CG1 4Å; I86-T88 HydrophobicContact CG2-CG2 4.27Å; I86-V102 HydrophobicContact CB-CG2 3.94Å; I86-V102 PolarHBondContact N-O 2.91Å; I86-V102 PolarHBondContact O-N 3.31Å; I86-I104 HydrophobicContact CD1-CD1 3.51Å; I86-I104 HydrophobicContact CG1-CD1 4.23Å; I86-V138 HydrophobicContact CD1-CG1 3.85Å; I86-V138 HydrophobicContact CD1-CG2 4.38Å; I86-L145 HydrophobicContact CD1-CD1 4.17Å
87D95.6Very high91.4Very high67 Ų6750.2 Ų50.236%0.35828%0.277SS..EExtended strand (participates in β ladder)trans-78.1115.3162.2-72.7-58.4000109.6H85 K100 I101 H140 I318H85-D87 IonicContact CE1-OD1 2.73Å; H85-D87 IonicContact CE1-OD2 3.61Å; D87-K100 CarbonylContact C-O 3.52Å; D87-K100 WeakPolarHBondContact CA-O 3.26Å; D87-I101 WeakPolarHBondContact OD1-CG1 3.47Å; D87-H140 VanDerWaalsContact C-NE2 3.31Å; D87-H140 PolarHBondContact O-NE2 2.85Å; D87-I318 VanDerWaalsContact OD1-CD1 3.23Å; D87-I318 WeakPolarHBondContact OD1-CD1 3.42Å; D87-I318 WeakPolarHBondContact OD2-CD1 3.45Å
88T95.3Very high91.3Very high11 Ų1151 Ų517%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-83130.6-172.562.60000112.4I86 F90 I92 K100 V102 H140 L145I86-T88 HydrophobicContact CG2-CG2 4.27Å; T88-F90 WeakPolarHBondContact CB-O 3.34Å; T88-F90 PolarHBondContact O-N 2.97Å; T88-F90 PolarHBondContact OG1-O 3.45Å; T88-I92 HydrophobicContact CG2-CD1 3.78Å; T88-K100 PolarHBondContact N-O 3.46Å; T88-K100 WeakPolarHBondContact OG1-CA 3.44Å; T88-K100 PolarHBondContact OG1-O 2.54Å; T88-V102 HydrophobicContact CG2-CG1 4.4Å; T88-V102 HydrophobicContact CG2-CG2 4.21Å; T88-H140 VanDerWaalsContact CA-NE2 3.3Å; T88-H140 WeakPolarHBondContact CA-NE2 3.02Å; T88-L145 HydrophobicContact CG2-CD2 4.08Å
89K95.7Very high91.4Very high139 Ų13951.1 Ų51.160%0.60426%0.261SS*.EExtended strand (participates in β ladder)trans-60.8-15.7179.3-72.4164.6-175.3173.20113.2H140K89-H140 WeakPolarHBondContact CG-NE2 3.38Å; K89-H140 PolarHBondContact N-NE2 2.78Å; K89-H140 PolarHBondContact NZ-O 3.49Å
90F95.3Very high91.7Very high9 Ų949.4 Ų49.44%0.03925%0.25CC..EExtended strand (participates in β ladder)trans-131.1153171.163.4-82.4000109.9T88 I92 N141 L145 V174T88-F90 WeakPolarHBondContact CB-O 3.34Å; T88-F90 PolarHBondContact O-N 2.97Å; T88-F90 PolarHBondContact OG1-O 3.45Å; F90-I92 HydrophobicContact CD2-CG1 4.32Å; F90-I92 HydrophobicContact CE2-CG1 3.64Å; F90-I92 HydrophobicContact CZ-CG1 4.15Å; F90-I92 PolarHBondContact O-N 3.28Å; F90-N141 VanDerWaalsContact CD1-O 3.24Å; F90-N141 WeakPolarHBondContact CD1-O 3.42Å; F90-N141 WeakPolarHBondContact CE1-O 3.48Å; F90-L145 HydrophobicContact CE1-CB 4.4Å; F90-L145 HydrophobicContact CZ-CB 4.22Å; F90-V174 HydrophobicContact CB-CB 4.45Å; F90-V174 HydrophobicContact CB-CG2 3.92Å; F90-V174 HydrophobicContact CD2-CB 3.69Å; F90-V174 HydrophobicContact CD2-CG2 3.81Å; F90-V174 HydrophobicContact CE2-CB 4.15Å; F90-V174 HydrophobicContact CG-CB 4.09Å; F90-V174 HydrophobicContact CG-CG2 4.06Å
91P93.7Very high92Very high50 Ų5048.6 Ų48.633%0.32524%0.243SC..EExtended strand (participates in β ladder)trans-75.6118.117331-33.3000110.8K93 Y98 H99P91-K93 PolarHBondContact O-N 2.83Å; P91-Y98 HydrophobicContact CB-CD1 3.96Å; P91-Y98 HydrophobicContact CB-CG 4.46Å; P91-Y98 HydrophobicContact CG-CD1 4.21Å; P91-H99 CarbonylContact C-O 3.58Å; P91-H99 WeakPolarHBondContact CA-O 3.23Å
92I92.7Very high92.5Very high5 Ų541.2 Ų41.23%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-70.9124.1174.1-64.9159.3000109.3T88 F90 F94 Y98 H99 V102 L172T88-I92 HydrophobicContact CG2-CD1 3.78Å; F90-I92 HydrophobicContact CD2-CG1 4.32Å; F90-I92 HydrophobicContact CE2-CG1 3.64Å; F90-I92 HydrophobicContact CZ-CG1 4.15Å; F90-I92 PolarHBondContact O-N 3.28Å; I92-F94 HydrophobicContact CG2-CB 4.48Å; I92-Y98 CarbonylContact O-C 3.55Å; I92-Y98 WeakPolarHBondContact O-CA 3.41Å; I92-H99 PolarHBondContact N-O 3.39Å; I92-H99 PolarHBondContact O-N 3.35Å; I92-V102 HydrophobicContact CD1-CG1 3.41Å; I92-V102 VanDerWaalsContact CD1-CG1 3.41Å; I92-L172 HydrophobicContact CD1-CD1 3.69Å; I92-L172 HydrophobicContact CG1-CD1 4.47Å
93K90.6Very high92.7Very high31 Ų3138.7 Ų38.714%0.13519%0.189CC..EExtended strand (participates in β ladder)trans-86.3106.7171.5-166.6-179.9-173.7175.20110.6P91 V97 Y98 G176 D245P91-K93 PolarHBondContact O-N 2.83Å; K93-V97 CarbonylContact C-O 3.33Å; K93-V97 WeakPolarHBondContact CA-O 3.49Å; K93-Y98 HydrophobicContact CB-CD1 4.03Å; K93-Y98 HydrophobicContact CB-CE1 3.73Å; K93-Y98 HydrophobicContact CD-CE1 4.1Å; K93-Y98 HydrophobicContact CG-CD1 4.36Å; K93-Y98 HydrophobicContact CG-CE1 3.93Å; K93-G176 WeakPolarHBondContact O-CA 3.3Å; K93-D245 WeakPolarHBondContact CE-OD1 3.42Å; K93-D245 IonicContact NZ-OD1 3.71Å; K93-D245 PolarHBondContact NZ-OD1 2.89Å; K93-D245 IonicContact NZ-OD2 2.72Å; K93-D245 PolarHBondContact NZ-OD2 2.88Å
94F90.4Very high92.8Very high3 Ų336.8 Ų36.81%0.01318%0.176CC..EExtended strand (participates in β ladder)trans-122.5121.1179.3-172.9-102.2000110I92 G96 V97 I112 I124 I178 I208 N210I92-F94 HydrophobicContact CG2-CB 4.48Å; F94-G96 PolarHBondContact O-N 3.33Å; F94-V97 PolarHBondContact N-O 2.8Å; F94-V97 PolarHBondContact O-N 3.45Å; F94-I112 HydrophobicContact CB-CG2 3.96Å; F94-I112 HydrophobicContact CD1-CG2 4.39Å; F94-I112 HydrophobicContact CD2-CD1 3.6Å; F94-I112 HydrophobicContact CE2-CD1 3.87Å; F94-I112 HydrophobicContact CG-CD1 4.08Å; F94-I112 HydrophobicContact CG-CG2 4.12Å; F94-I124 HydrophobicContact CE2-CD1 4.45Å; F94-I124 HydrophobicContact CE2-CG1 4.24Å; F94-I178 HydrophobicContact CD2-CD1 4.17Å; F94-I178 HydrophobicContact CE2-CD1 4.06Å; F94-I208 HydrophobicContact CE2-CG2 3.65Å; F94-I208 HydrophobicContact CZ-CG2 3.67Å; F94-N210 HydrophobicContact CE1-CB 4.39Å
95Y86Confident92.8Very high11 Ų1135.9 Ų35.94%0.04317%0.173CC..THydrogen-bonded Turntrans5029.7-176-79.2-99.8000114.8N55 Y56 I208 N210 S220N55-Y95 HydrophobicContact CB-CD1 4.07Å; N55-Y95 HydrophobicContact CB-CE1 4.21Å; N55-Y95 VanDerWaalsContact ND2-CD1 3.32Å; N55-Y95 WeakPolarHBondContact ND2-CD1 3.21Å; N55-Y95 WeakPolarHBondContact ND2-CE1 3.41Å; Y56-Y95 HydrophobicContact CD2-CE2 4.14Å; Y56-Y95 HydrophobicContact CE2-CD1 4.49Å; Y56-Y95 AromaticContact CE2-CD2 3.64Å; Y56-Y95 HydrophobicContact CE2-CD2 3.64Å; Y56-Y95 HydrophobicContact CE2-CE1 4.41Å; Y56-Y95 AromaticContact CE2-CE2 3.56Å; Y56-Y95 HydrophobicContact CE2-CE2 3.56Å; Y56-Y95 HydrophobicContact CE2-CG 4.13Å; Y56-Y95 AromaticContact CE2-CZ 3.98Å; Y56-Y95 PolarHBondContact OH-N 3.26Å; Y95-I208 HydrophobicContact CE2-CG2 4.13Å; Y95-N210 VanDerWaalsContact CB-ND2 3.32Å; Y95-N210 WeakPolarHBondContact CB-ND2 3.35Å; Y95-N210 HydrophobicContact CD1-CB 3.9Å; Y95-N210 VanDerWaalsContact CD1-ND2 3.3Å; Y95-N210 WeakPolarHBondContact CD1-ND2 3.25Å; Y95-N210 HydrophobicContact CD2-CB 3.83Å; Y95-N210 HydrophobicContact CE1-CB 3.94Å; Y95-N210 HydrophobicContact CE2-CB 3.86Å; Y95-N210 HydrophobicContact CG-CB 3.84Å; Y95-N210 VanDerWaalsContact CG-ND2 3.29Å; Y95-S220 WeakPolarHBondContact CE1-OG 3.15Å; Y95-S220 PolarHBondContact OH-OG 2.82Å
96G84.1Confident92.8Very high9 Ų932.8 Ų32.89%0.09316%0.161CC..THydrogen-bonded Turntrans86.5-4.1-17800000116.3F94F94-G96 PolarHBondContact O-N 3.33Å
97V86Confident92.8Very high25 Ų2533.9 Ų33.915%0.15217%0.167CC..EExtended strand (participates in β ladder)trans-98.3142.7174.1-174.60000109.2K93 F94 H99 Y213 I277K93-V97 CarbonylContact C-O 3.33Å; K93-V97 WeakPolarHBondContact CA-O 3.49Å; F94-V97 PolarHBondContact N-O 2.8Å; F94-V97 PolarHBondContact O-N 3.45Å; V97-H99 WeakPolarHBondContact CB-NE2 3.46Å; V97-H99 VanDerWaalsContact CG1-CE1 3.46Å; V97-H99 WeakPolarHBondContact CG1-CE1 3.4Å; V97-H99 WeakPolarHBondContact CG1-NE2 3.28Å; V97-Y213 WeakPolarHBondContact CG2-OH 3.37Å; V97-I277 HydrophobicContact CG2-CG2 3.7Å
98Y90.9Very high92.8Very high111 Ų11130.7 Ų30.744%0.43515%0.15SC..EExtended strand (participates in β ladder)trans-95.8125174.5-71.3-80.6000110.3P91 I92 K93P91-Y98 HydrophobicContact CB-CD1 3.96Å; P91-Y98 HydrophobicContact CB-CG 4.46Å; P91-Y98 HydrophobicContact CG-CD1 4.21Å; I92-Y98 CarbonylContact O-C 3.55Å; I92-Y98 WeakPolarHBondContact O-CA 3.41Å; K93-Y98 HydrophobicContact CB-CD1 4.03Å; K93-Y98 HydrophobicContact CB-CE1 3.73Å; K93-Y98 HydrophobicContact CD-CE1 4.1Å; K93-Y98 HydrophobicContact CG-CD1 4.36Å; K93-Y98 HydrophobicContact CG-CE1 3.93Å
99H92.6Very high92.8Very high14 Ų1432.4 Ų32.47%0.06516%0.156CC..EExtended strand (participates in β ladder)trans-120.8145.8178.8-55.1-84.2000110.7P91 I92 V97 I112 G113 H121P91-H99 CarbonylContact C-O 3.58Å; P91-H99 WeakPolarHBondContact CA-O 3.23Å; I92-H99 PolarHBondContact N-O 3.39Å; I92-H99 PolarHBondContact O-N 3.35Å; V97-H99 WeakPolarHBondContact CB-NE2 3.46Å; V97-H99 VanDerWaalsContact CG1-CE1 3.46Å; V97-H99 WeakPolarHBondContact CG1-CE1 3.4Å; V97-H99 WeakPolarHBondContact CG1-NE2 3.28Å; H99-I112 HydrophobicContact CB-CG2 3.98Å; H99-G113 WeakPolarHBondContact ND1-CA 3.14Å; H99-H121 AromaticContact CE1-CG 3.86Å; H99-H121 AromaticContact CE1-ND1 3.5Å; H99-H121 PolarHBondContact CE1-ND1 3.41Å; H99-H121 AromaticContact ND1-ND1 3.99Å
100K93.5Very high92.8Very high73 Ų7325.8 Ų25.832%0.31713%0.127SC..EExtended strand (participates in β ladder)trans-109.2-4.3174.2-70.2-179.1176.8174.10113.7D87 T88D87-K100 CarbonylContact C-O 3.52Å; D87-K100 WeakPolarHBondContact CA-O 3.26Å; T88-K100 PolarHBondContact N-O 3.46Å; T88-K100 WeakPolarHBondContact OG1-CA 3.44Å; T88-K100 PolarHBondContact OG1-O 2.54Å
101I94.8Very high92.8Very high27 Ų2727 Ų2714%0.13813%0.134CC..EExtended strand (participates in β ladder)trans-122.5133.6-172.7-66.7172000108.7H85 D87 G113 E114H85-I101 VanDerWaalsContact NE2-CG2 3.27Å; H85-I101 WeakPolarHBondContact NE2-CG2 3.27Å; D87-I101 WeakPolarHBondContact OD1-CG1 3.47Å; I101-G113 PolarHBondContact O-N 3.26Å; I101-E114 HydrophobicContact CG2-CB 4.19Å
102V95.7Very high92.9Very high0 Ų024.6 Ų24.60%012%0.119CC..EExtended strand (participates in β ladder)trans-130.2153164.1-56.40000111.6I86 T88 I92 I110 N111 I112 L145 L172I86-V102 HydrophobicContact CB-CG2 3.94Å; I86-V102 PolarHBondContact N-O 2.91Å; I86-V102 PolarHBondContact O-N 3.31Å; T88-V102 HydrophobicContact CG2-CG1 4.4Å; T88-V102 HydrophobicContact CG2-CG2 4.21Å; I92-V102 HydrophobicContact CD1-CG1 3.41Å; I92-V102 VanDerWaalsContact CD1-CG1 3.41Å; V102-I110 HydrophobicContact CB-CG2 4.04Å; V102-I110 HydrophobicContact CG1-CG2 4.35Å; V102-N111 CarbonylContact C-O 3.56Å; V102-N111 WeakPolarHBondContact CA-O 3.45Å; V102-N111 WeakPolarHBondContact CB-O 3.3Å; V102-I112 HydrophobicContact CG1-CG1 4.11Å; V102-L145 HydrophobicContact CG2-CD2 3.52Å; V102-L172 HydrophobicContact CG1-CD1 4.3Å
103K95.5Very high92.7Very high51 Ų5124.6 Ų24.622%0.22212%0.12CC..EExtended strand (participates in β ladder)trans-120.8122.1173.6-91.5177.2169.3171.20109.5P83 L84 I110 N111 E114P83-K103 HydrophobicContact CB-CB 3.95Å; P83-K103 HydrophobicContact CB-CD 4.34Å; P83-K103 HydrophobicContact CB-CG 4.1Å; P83-K103 HydrophobicContact CG-CB 4.43Å; P83-K103 HydrophobicContact CG-CD 3.9Å; P83-K103 HydrophobicContact CG-CG 4.16Å; L84-K103 CarbonylContact O-C 3.51Å; L84-K103 WeakPolarHBondContact O-CA 3.3Å; K103-I110 CarbonylContact O-C 3.59Å; K103-I110 WeakPolarHBondContact O-CA 3.32Å; K103-N111 HydrophobicContact CB-CB 4.13Å; K103-N111 PolarHBondContact N-O 3.34Å; K103-N111 PolarHBondContact O-N 3.39Å; K103-E114 VanDerWaalsContact CD-OE2 3.28Å; K103-E114 WeakPolarHBondContact CD-OE2 3.37Å; K103-E114 WeakPolarHBondContact CE-OE2 3.38Å; K103-E114 IonicContact NZ-OE1 2.61Å; K103-E114 PolarHBondContact NZ-OE1 3.43Å; K103-E114 IonicContact NZ-OE2 3.33Å; K103-E114 PolarHBondContact NZ-OE2 3.32Å
104I96Very high92.2Very high0 Ų025.5 Ų25.50%012%0.124CC..EExtended strand (participates in β ladder)trans-108.4125.7-177.2-63.7159.4000109.3P83 L84 I86 F109 I110 V136 V138 V147 W149P83-I104 CarbonylContact C-O 3.56Å; P83-I104 VanDerWaalsContact CA-O 3.31Å; P83-I104 WeakPolarHBondContact CA-O 3Å; L84-I104 HydrophobicContact CB-CB 4.31Å; L84-I104 HydrophobicContact CD2-CD1 4.29Å; L84-I104 PolarHBondContact N-O 2.04Å; L84-I104 PolarHBondContact O-N 2.9Å; I86-I104 HydrophobicContact CD1-CD1 3.51Å; I86-I104 HydrophobicContact CG1-CD1 4.23Å; I104-F109 WeakPolarHBondContact CA-O 3.35Å; I104-I110 HydrophobicContact CG1-CG1 4.46Å; I104-I110 HydrophobicContact CG1-CG2 4.36Å; I104-V136 HydrophobicContact CG2-CG1 4.19Å; I104-V138 HydrophobicContact CD1-CG2 4.44Å; I104-V147 HydrophobicContact CD1-CB 4.44Å; I104-V147 HydrophobicContact CD1-CG1 4.13Å; I104-V147 HydrophobicContact CD1-CG2 3.42Å; I104-V147 VanDerWaalsContact CD1-CG2 3.42Å; I104-V147 HydrophobicContact CG1-CG1 4.37Å; I104-V147 HydrophobicContact CG1-CG2 3.98Å; I104-V147 HydrophobicContact CG2-CG1 3.64Å; I104-W149 HydrophobicContact CG2-CZ2 4.07Å
105S95Very high91.1Very high22 Ų2227 Ų2715%0.15414%0.135CC..  trans-110.5157.6-179-64.40000112.3D107 G108 F109 W149S105-D107 WeakPolarHBondContact CB-OD1 3.32Å; S105-D107 PolarHBondContact O-N 3.48Å; S105-G108 PolarHBondContact O-N 3.09Å; S105-F109 PolarHBondContact N-O 2.95Å; S105-W149 PolarHBondContact O-NE1 2.02Å
106S94.5Very high90Very high15 Ų1534.6 Ų34.611%0.10518%0.177CC..THydrogen-bonded Turntrans-70.3-17.2-179.259.80000114.2G108 G131 K132 L152S106-G108 VanDerWaalsContact C-N 3.33Å; S106-G131 PolarHBondContact OG-O 2.73Å; S106-K132 VanDerWaalsContact CB-O 3.25Å; S106-K132 WeakPolarHBondContact CB-O 3.02Å; S106-K132 PolarHBondContact OG-O 3.24Å; S106-L152 WeakPolarHBondContact O-CD1 3.37Å
107D94.1Very high89.2Confident39 Ų3938.7 Ų38.721%0.20920%0.204CC..THydrogen-bonded Turntrans-84.45.3176.961.5-9.3000114.6S105 F109 G129S105-D107 WeakPolarHBondContact CB-OD1 3.32Å; S105-D107 PolarHBondContact O-N 3.48Å; D107-F109 HydrophobicContact CB-CD2 4.21Å; D107-F109 HydrophobicContact CB-CE2 4.44Å; D107-F109 VanDerWaalsContact OD1-CD2 3.28Å; D107-F109 WeakPolarHBondContact OD1-CD2 3.31Å; D107-F109 PolarHBondContact OD1-N 3.13Å; D107-F109 WeakPolarHBondContact OD2-CD2 3.4Å; D107-F109 VanDerWaalsContact OD2-CE2 3.3Å; D107-F109 WeakPolarHBondContact OD2-CE2 3.36Å; D107-G129 VanDerWaalsContact O-CA 3.22Å; D107-G129 WeakPolarHBondContact O-CA 3.4Å; D107-G129 PolarHBondContact O-N 2.87Å
108G95.6Very high88.4Confident0 Ų039.6 Ų39.60%022%0.218CC..SBendtrans87.824.4177.800000114.6S105 S106 V126S105-G108 PolarHBondContact O-N 3.09Å; S106-G108 VanDerWaalsContact C-N 3.33Å; G108-V126 WeakPolarHBondContact O-CG2 3.39Å; G108-V126 PolarHBondContact O-N 2.69Å
109F95.9Very high87.8Confident46 Ų4637.8 Ų37.820%0.20222%0.219CC..EExtended strand (participates in β ladder)trans-101.7140172.9-72.4-114.2000112.1I104 S105 D107 I124 K125I104-F109 WeakPolarHBondContact CA-O 3.35Å; S105-F109 PolarHBondContact N-O 2.95Å; D107-F109 HydrophobicContact CB-CD2 4.21Å; D107-F109 HydrophobicContact CB-CE2 4.44Å; D107-F109 VanDerWaalsContact OD1-CD2 3.28Å; D107-F109 WeakPolarHBondContact OD1-CD2 3.31Å; D107-F109 PolarHBondContact OD1-N 3.13Å; D107-F109 WeakPolarHBondContact OD2-CD2 3.4Å; D107-F109 VanDerWaalsContact OD2-CE2 3.3Å; D107-F109 WeakPolarHBondContact OD2-CE2 3.36Å; F109-I124 CarbonylContact C-O 3.58Å; F109-I124 WeakPolarHBondContact CA-O 3.42Å; F109-K125 HydrophobicContact CD1-CB 4Å; F109-K125 HydrophobicContact CD1-CG 4.3Å; F109-K125 HydrophobicContact CD2-CG 4.21Å; F109-K125 HydrophobicContact CE1-CB 3.87Å; F109-K125 HydrophobicContact CE1-CD 3.84Å; F109-K125 HydrophobicContact CE1-CG 3.94Å; F109-K125 HydrophobicContact CE2-CD 3.89Å; F109-K125 HydrophobicContact CE2-CG 3.88Å; F109-K125 HydrophobicContact CG-CB 4.45Å; F109-K125 HydrophobicContact CG-CG 4.47Å; F109-K125 HydrophobicContact CZ-CB 4.23Å; F109-K125 HydrophobicContact CZ-CD 3.43Å; F109-K125 VanDerWaalsContact CZ-CD 3.43Å; F109-K125 HydrophobicContact CZ-CG 3.76Å
110I96.7Very high87.3Confident0 Ų038.9 Ų38.90%023%0.226CC..EExtended strand (participates in β ladder)trans-117.9107161.8-48.6179.6000107.6V102 K103 I104 I112 S123 I124 V147 W149 C170 L172V102-I110 HydrophobicContact CB-CG2 4.04Å; V102-I110 HydrophobicContact CG1-CG2 4.35Å; K103-I110 CarbonylContact O-C 3.59Å; K103-I110 WeakPolarHBondContact O-CA 3.32Å; I104-I110 HydrophobicContact CG1-CG1 4.46Å; I104-I110 HydrophobicContact CG1-CG2 4.36Å; I110-I112 HydrophobicContact CG2-CG1 4.32Å; I110-S123 WeakPolarHBondContact O-CA 2.95Å; I110-I124 HydrophobicContact CB-CB 4.39Å; I110-I124 PolarHBondContact N-O 3.49Å; I110-I124 PolarHBondContact O-N 3Å; I110-V147 HydrophobicContact CD1-CB 4.14Å; I110-V147 HydrophobicContact CD1-CG2 3.84Å; I110-W149 HydrophobicContact CD1-CH2 3.93Å; I110-W149 HydrophobicContact CG1-CH2 3.72Å; I110-W149 HydrophobicContact CG1-CZ2 4.21Å; I110-C170 HydrophobicContact CD1-CB 4.09Å; I110-L172 HydrophobicContact CG2-CD1 4.32Å
111N95.4Very high87Confident34 Ų3438 Ų3818%0.18222%0.223CC..EExtended strand (participates in β ladder)trans-84.5128171.8-67-44.2000108.9V102 K103 V120 G122 S123V102-N111 CarbonylContact C-O 3.56Å; V102-N111 WeakPolarHBondContact CA-O 3.45Å; V102-N111 WeakPolarHBondContact CB-O 3.3Å; K103-N111 HydrophobicContact CB-CB 4.13Å; K103-N111 PolarHBondContact N-O 3.34Å; K103-N111 PolarHBondContact O-N 3.39Å; N111-V120 HydrophobicContact CB-CG1 3.79Å; N111-V120 HydrophobicContact CB-CG2 4.21Å; N111-G122 CarbonylContact C-O 3.56Å; N111-G122 WeakPolarHBondContact CA-O 3.36Å; N111-S123 VanDerWaalsContact OD1-CB 3.31Å; N111-S123 WeakPolarHBondContact OD1-CB 3.4Å; N111-S123 PolarHBondContact OD1-OG 3.1Å
112I94.2Very high86.9Confident0 Ų036.7 Ų36.70%022%0.217CC..EExtended strand (participates in β ladder)trans-111.4126.5-174.5-64.2175.4000109.4F94 H99 V102 I110 H121 G122 I124 L172F94-I112 HydrophobicContact CB-CG2 3.96Å; F94-I112 HydrophobicContact CD1-CG2 4.39Å; F94-I112 HydrophobicContact CD2-CD1 3.6Å; F94-I112 HydrophobicContact CE2-CD1 3.87Å; F94-I112 HydrophobicContact CG-CD1 4.08Å; F94-I112 HydrophobicContact CG-CG2 4.12Å; H99-I112 HydrophobicContact CB-CG2 3.98Å; V102-I112 HydrophobicContact CG1-CG1 4.11Å; I110-I112 HydrophobicContact CG2-CG1 4.32Å; I112-H121 PolarHBondContact O-N 2.97Å; I112-G122 PolarHBondContact N-O 3Å; I112-G122 PolarHBondContact O-N 3.17Å; I112-I124 HydrophobicContact CD1-CD1 3.53Å; I112-I124 HydrophobicContact CD1-CG1 4.06Å; I112-L172 HydrophobicContact CD1-CD1 4.03Å; I112-L172 HydrophobicContact CG1-CD1 4.4Å
113G88.5Confident86.8Confident5 Ų536.9 Ų36.95%0.05222%0.218CC..EExtended strand (participates in β ladder)trans72.7121.2179.100000112H99 I101 V120 H121H99-G113 WeakPolarHBondContact ND1-CA 3.14Å; I101-G113 PolarHBondContact O-N 3.26Å; G113-V120 CarbonylContact O-C 3.58Å; G113-V120 WeakPolarHBondContact O-CA 3.47Å; G113-H121 PolarHBondContact O-N 3.08Å
114E80.5Confident86.8Confident50 Ų5034.4 Ų34.423%0.23421%0.207CC..EExtended strand (participates in β ladder)trans-126.8133.7171.4-175.6163.1-151.400108.5I101 K103 G118 T119I101-E114 HydrophobicContact CG2-CB 4.19Å; K103-E114 VanDerWaalsContact CD-OE2 3.28Å; K103-E114 WeakPolarHBondContact CD-OE2 3.37Å; K103-E114 WeakPolarHBondContact CE-OE2 3.38Å; K103-E114 IonicContact NZ-OE1 2.61Å; K103-E114 PolarHBondContact NZ-OE1 3.43Å; K103-E114 IonicContact NZ-OE2 3.33Å; K103-E114 PolarHBondContact NZ-OE2 3.32Å; E114-G118 WeakPolarHBondContact OE1-CA 3.28Å; E114-T119 WeakPolarHBondContact CA-O 3.45Å
115S66.9Low86.8Confident34 Ų3435.3 Ų35.324%0.23821%0.211CC..  trans-83.6164.5167.263.80000110.5S117 G118 T119S115-S117 PolarHBondContact O-N 3.45Å; S115-S117 PolarHBondContact OG-N 2.94Å; S115-S117 PolarHBondContact OG-OG 2.88Å; S115-G118 PolarHBondContact O-N 3Å; S115-T119 PolarHBondContact N-O 2.93Å; S115-T119 VanDerWaalsContact OG-CB 3.22Å; S115-T119 WeakPolarHBondContact OG-CB 3.41Å; S115-T119 PolarHBondContact OG-N 3.46Å; S115-T119 VanDerWaalsContact OG-N 3.14Å; S115-T119 PolarHBondContact OG-OG1 3.05Å
116N64Low86.9Confident172 Ų17234.3 Ų34.392%0.9220%0.204SC*.THydrogen-bonded Turntrans-56.2-14.2169.9-60.24.7000113.7
117S67.2Low86.8Confident94 Ų9433.6 Ų33.666%0.65720%0.199SC*.THydrogen-bonded Turntrans-92.816.6174.161.50000113.8S115 T119S115-S117 PolarHBondContact O-N 3.45Å; S115-S117 PolarHBondContact OG-N 2.94Å; S115-S117 PolarHBondContact OG-OG 2.88Å; S117-T119 PolarHBondContact O-N 3.31Å; S117-T119 VanDerWaalsContact O-N 3.14Å; S117-T119 PolarHBondContact O-OG1 3.11Å; S117-T119 PolarHBondContact OG-OG1 3.46Å
118G70Confident86.4Confident44 Ų4435.8 Ų35.845%0.45421%0.205SC..  trans6515-178.600000114.2E114 S115 V120E114-G118 WeakPolarHBondContact OE1-CA 3.28Å; S115-G118 PolarHBondContact O-N 3Å; G118-V120 PolarHBondContact O-N 3.24Å
119T78.4Confident86Confident73 Ų7336.3 Ų36.345%0.44821%0.21SC..  trans-84.4114.4-173.1-49.30000109.4E114 S115 S117 H121E114-T119 WeakPolarHBondContact CA-O 3.45Å; S115-T119 PolarHBondContact N-O 2.93Å; S115-T119 VanDerWaalsContact OG-CB 3.22Å; S115-T119 WeakPolarHBondContact OG-CB 3.41Å; S115-T119 PolarHBondContact OG-N 3.46Å; S115-T119 VanDerWaalsContact OG-N 3.14Å; S115-T119 PolarHBondContact OG-OG1 3.05Å; S117-T119 PolarHBondContact O-N 3.31Å; S117-T119 VanDerWaalsContact O-N 3.14Å; S117-T119 PolarHBondContact O-OG1 3.11Å; S117-T119 PolarHBondContact OG-OG1 3.46Å; T119-H121 PolarHBondContact O-CD2 2.9Å; T119-H121 VanDerWaalsContact O-CD2 3.22Å
120V81.6Confident85.6Confident37 Ų3735.7 Ų35.722%0.22421%0.21CC..EExtended strand (participates in β ladder)trans-71.3125.9175.7178.20000109.7N111 G113 G118 G122 Y211N111-V120 HydrophobicContact CB-CG1 3.79Å; N111-V120 HydrophobicContact CB-CG2 4.21Å; G113-V120 CarbonylContact O-C 3.58Å; G113-V120 WeakPolarHBondContact O-CA 3.47Å; G118-V120 PolarHBondContact O-N 3.24Å; V120-G122 WeakPolarHBondContact CG1-O 3.3Å; V120-Y211 HydrophobicContact CB-CD2 4.34Å; V120-Y211 HydrophobicContact CG1-CD2 4Å; V120-Y211 HydrophobicContact CG1-CE2 4.16Å; V120-Y211 WeakPolarHBondContact O-CB 3.23Å; V120-Y211 WeakPolarHBondContact O-CD2 3.19Å
121H87Confident85.1Confident55 Ų5536.5 Ų36.526%0.25522%0.218SC..EExtended strand (participates in β ladder)trans-86.2-25.5-179.6-72.5-158.9000112.6H99 I112 G113 T119 N210 Y211 A212H99-H121 AromaticContact CE1-CG 3.86Å; H99-H121 AromaticContact CE1-ND1 3.5Å; H99-H121 PolarHBondContact CE1-ND1 3.41Å; H99-H121 AromaticContact ND1-ND1 3.99Å; I112-H121 PolarHBondContact O-N 2.97Å; G113-H121 PolarHBondContact O-N 3.08Å; T119-H121 PolarHBondContact O-CD2 2.9Å; T119-H121 VanDerWaalsContact O-CD2 3.22Å; H121-N210 PolarHBondContact O-OD1 2.86Å; H121-Y211 CarbonylContact O-C 3.57Å; H121-Y211 WeakPolarHBondContact O-CA 3.35Å; H121-Y211 PolarHBondContact O-N 3.25Å; H121-A212 HydrophobicContact CB-CB 4.14Å; H121-A212 PolarHBondContact O-N 3.32Å
122G91.6Very high84.8Confident0 Ų039.5 Ų39.50%023%0.23CC..EExtended strand (participates in β ladder)trans-159.6163.2175.900000112.8N111 I112 V120 Q209N111-G122 CarbonylContact C-O 3.56Å; N111-G122 WeakPolarHBondContact CA-O 3.36Å; I112-G122 PolarHBondContact N-O 3Å; I112-G122 PolarHBondContact O-N 3.17Å; V120-G122 WeakPolarHBondContact CG1-O 3.3Å; G122-Q209 CarbonylContact C-O 3.57Å; G122-Q209 VanDerWaalsContact CA-O 3.23Å; G122-Q209 WeakPolarHBondContact CA-O 3.35Å
123S94.3Very high84.5Confident3 Ų343.7 Ų43.72%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-145132.8179-169.20000111.2I110 N111 I208 Q209I110-S123 WeakPolarHBondContact O-CA 2.95Å; N111-S123 VanDerWaalsContact OD1-CB 3.31Å; N111-S123 WeakPolarHBondContact OD1-CB 3.4Å; N111-S123 PolarHBondContact OD1-OG 3.1Å; S123-I208 CarbonylContact O-C 3.53Å; S123-I208 WeakPolarHBondContact O-CA 3.39Å; S123-Q209 PolarHBondContact N-O 2.68Å; S123-Q209 PolarHBondContact O-N 3.22Å
124I96.3Very high84.5Confident0 Ų044.7 Ų44.70%027%0.269CS..EExtended strand (participates in β ladder)trans-108109.4169.7-60.4168.5000106.6F94 F109 I110 I112 V126 L172 I178 I180 I208F94-I124 HydrophobicContact CE2-CD1 4.45Å; F94-I124 HydrophobicContact CE2-CG1 4.24Å; F109-I124 CarbonylContact C-O 3.58Å; F109-I124 WeakPolarHBondContact CA-O 3.42Å; I110-I124 HydrophobicContact CB-CB 4.39Å; I110-I124 PolarHBondContact N-O 3.49Å; I110-I124 PolarHBondContact O-N 3Å; I112-I124 HydrophobicContact CD1-CD1 3.53Å; I112-I124 HydrophobicContact CD1-CG1 4.06Å; I124-V126 HydrophobicContact CG2-CG1 4.21Å; I124-L172 HydrophobicContact CD1-CD2 3.48Å; I124-L172 VanDerWaalsContact CD1-CD2 3.48Å; I124-I178 HydrophobicContact CD1-CD1 3.79Å; I124-I178 HydrophobicContact CD1-CG1 4.19Å; I124-I178 HydrophobicContact CD1-CG2 3.92Å; I124-I178 HydrophobicContact CG1-CD1 4.47Å; I124-I180 HydrophobicContact CG2-CD1 4.06Å; I124-I208 HydrophobicContact CG1-CG1 4.3Å; I124-I208 HydrophobicContact CG1-CG2 4.17Å; I124-I208 HydrophobicContact CG2-CG1 4.34Å
125K96Very high85.1Confident19 Ų1945.5 Ų45.58%0.08327%0.273CS..EExtended strand (participates in β ladder)trans-93.3110.9168.2-179.1177.2-169.3162.90107.9F109 F127 Y128 M206 T207F109-K125 HydrophobicContact CD1-CB 4Å; F109-K125 HydrophobicContact CD1-CG 4.3Å; F109-K125 HydrophobicContact CD2-CG 4.21Å; F109-K125 HydrophobicContact CE1-CB 3.87Å; F109-K125 HydrophobicContact CE1-CD 3.84Å; F109-K125 HydrophobicContact CE1-CG 3.94Å; F109-K125 HydrophobicContact CE2-CD 3.89Å; F109-K125 HydrophobicContact CE2-CG 3.88Å; F109-K125 HydrophobicContact CG-CB 4.45Å; F109-K125 HydrophobicContact CG-CG 4.47Å; F109-K125 HydrophobicContact CZ-CB 4.23Å; F109-K125 HydrophobicContact CZ-CD 3.43Å; F109-K125 VanDerWaalsContact CZ-CD 3.43Å; F109-K125 HydrophobicContact CZ-CG 3.76Å; K125-F127 WeakPolarHBondContact CE-O 3.47Å; K125-F127 WeakPolarHBondContact CG-O 3.33Å; K125-Y128 HydrophobicContact CD-CD2 4.27Å; K125-Y128 HydrophobicContact CD-CE2 4.22Å; K125-Y128 VanDerWaalsContact NZ-CE2 3.31Å; K125-Y128 VanDerWaalsContact NZ-CZ 3.29Å; K125-M206 VanDerWaalsContact O-CA 3.32Å; K125-M206 WeakPolarHBondContact O-CA 3.28Å; K125-M206 WeakPolarHBondContact O-CG 3.48Å; K125-T207 PolarHBondContact N-O 2.93Å; K125-T207 PolarHBondContact O-N 3.22Å
126V96Very high86.5Confident0 Ų043.9 Ų43.90%026%0.262CS..  trans-77.3-31.7179.9-42.60000111.4G108 I124 W149 L152 I168 C170 I180G108-V126 WeakPolarHBondContact O-CG2 3.39Å; G108-V126 PolarHBondContact O-N 2.69Å; I124-V126 HydrophobicContact CG2-CG1 4.21Å; V126-W149 HydrophobicContact CB-CZ3 4.49Å; V126-W149 HydrophobicContact CG1-CH2 3.81Å; V126-W149 HydrophobicContact CG1-CZ3 3.79Å; V126-W149 HydrophobicContact CG2-CE3 4.15Å; V126-W149 HydrophobicContact CG2-CH2 4.3Å; V126-W149 HydrophobicContact CG2-CZ3 3.96Å; V126-L152 HydrophobicContact CG2-CD2 4.46Å; V126-I168 HydrophobicContact CB-CG2 4.08Å; V126-I168 HydrophobicContact CG2-CB 4.29Å; V126-I168 HydrophobicContact CG2-CD1 4.09Å; V126-I168 HydrophobicContact CG2-CG2 3.79Å; V126-C170 HydrophobicContact CG1-CB 3.92Å; V126-I180 HydrophobicContact CB-CD1 4.14Å; V126-I180 HydrophobicContact CG1-CD1 3.87Å
127F92.8Very high88Confident0 Ų036.1 Ų36.10%022%0.22CC..SBendtrans-160.8173.5176.6-142.4-94.3000111.1K125 G129 L152 I154 I168 F182 I185 V189 F190 P205 I229K125-F127 WeakPolarHBondContact CE-O 3.47Å; K125-F127 WeakPolarHBondContact CG-O 3.33Å; F127-G129 PolarHBondContact O-N 2.91Å; F127-L152 HydrophobicContact CB-CD2 3.9Å; F127-I154 HydrophobicContact CB-CG2 4.45Å; F127-I154 HydrophobicContact CD1-CB 3.73Å; F127-I154 HydrophobicContact CD1-CD1 4.29Å; F127-I154 HydrophobicContact CD1-CG2 3.38Å; F127-I154 HydrophobicContact CE1-CB 3.74Å; F127-I154 HydrophobicContact CE1-CD1 3.54Å; F127-I154 HydrophobicContact CE1-CG1 4.25Å; F127-I154 HydrophobicContact CE1-CG2 3.82Å; F127-I154 HydrophobicContact CG-CG2 4.11Å; F127-I154 HydrophobicContact CZ-CD1 3.94Å; F127-I168 HydrophobicContact CB-CD1 3.71Å; F127-I168 HydrophobicContact CD2-CD1 3.82Å; F127-I168 HydrophobicContact CG-CD1 3.99Å; F127-F182 HydrophobicContact CD2-CE1 4.18Å; F127-I185 HydrophobicContact CD2-CD1 4.4Å; F127-I185 HydrophobicContact CE2-CD1 3.88Å; F127-I185 HydrophobicContact CZ-CD1 4.45Å; F127-V189 HydrophobicContact CE1-CG1 4.21Å; F127-V189 HydrophobicContact CZ-CG1 4.03Å; F127-F190 HydrophobicContact CE1-CZ 4.36Å; F127-F190 HydrophobicContact CE2-CE2 4.47Å; F127-F190 AromaticContact CE2-CZ 3.87Å; F127-F190 HydrophobicContact CE2-CZ 3.87Å; F127-F190 HydrophobicContact CZ-CE1 4.18Å; F127-F190 HydrophobicContact CZ-CE2 4.24Å; F127-F190 AromaticContact CZ-CZ 3.41Å; F127-F190 HydrophobicContact CZ-CZ 3.41Å; F127-F190 VanDerWaalsContact CZ-CZ 3.41Å; F127-P205 CarbonylContact C-O 3.6Å; F127-P205 VanDerWaalsContact CA-O 3.26Å; F127-P205 WeakPolarHBondContact CA-O 3.42Å; F127-P205 HydrophobicContact CD1-CB 4.41Å; F127-P205 HydrophobicContact CD2-CB 4.03Å; F127-P205 HydrophobicContact CE1-CB 4.32Å; F127-P205 HydrophobicContact CE2-CB 3.97Å; F127-P205 HydrophobicContact CE2-CG 4.38Å; F127-P205 HydrophobicContact CG-CB 4.29Å; F127-P205 HydrophobicContact CZ-CB 4.14Å; F127-I229 HydrophobicContact CE2-CG2 3.99Å
128Y85.2Confident89.4Confident85 Ų8531.9 Ų31.933%0.33319%0.19SC..  trans-83.191.4163.3-78.5-115.3000110.1K125 I154 F155 Y203 Y204 P205K125-Y128 HydrophobicContact CD-CD2 4.27Å; K125-Y128 HydrophobicContact CD-CE2 4.22Å; K125-Y128 VanDerWaalsContact NZ-CE2 3.31Å; K125-Y128 VanDerWaalsContact NZ-CZ 3.29Å; Y128-I154 WeakPolarHBondContact O-CA 3.48Å; Y128-F155 PolarHBondContact O-N 2.89Å; Y128-F155 VanDerWaalsContact O-N 3.09Å; Y128-Y203 WeakPolarHBondContact CB-OH 3.4Å; Y128-Y203 HydrophobicContact CD2-CE2 4.26Å; Y128-Y203 AromaticContact CD2-CZ 3.86Å; Y128-Y203 WeakPolarHBondContact CD2-OH 3.43Å; Y128-Y203 HydrophobicContact CE2-CE2 4.12Å; Y128-Y204 WeakPolarHBondContact CE2-O 3.49Å; Y128-P205 HydrophobicContact CD2-CB 4.47Å; Y128-P205 WeakPolarHBondContact CD2-O 3.47Å
129G88.3Confident90.6Very high11 Ų1131.2 Ų31.211%0.11318%0.176CC..BIsolated β-bridgetrans-82.6166.4166.600000113.5D107 F127 I153D107-G129 VanDerWaalsContact O-CA 3.22Å; D107-G129 WeakPolarHBondContact O-CA 3.4Å; D107-G129 PolarHBondContact O-N 2.87Å; F127-G129 PolarHBondContact O-N 2.91Å; G129-I153 CarbonylContact C-O 3.57Å; G129-I153 WeakPolarHBondContact CA-O 3.41Å
130V87.8Confident91.4Very high34 Ų3430.4 Ų30.421%0.20617%0.167CC..  trans-90-10.5-176.1-1710000113.7K132 I153 F155 E161V130-K132 HydrophobicContact CB-CG 4.49Å; V130-K132 HydrophobicContact CG1-CD 4.07Å; V130-K132 HydrophobicContact CG1-CG 4.04Å; V130-K132 PolarHBondContact O-N 2.98Å; V130-I153 HydrophobicContact CB-CB 4.42Å; V130-I153 HydrophobicContact CB-CG2 4.15Å; V130-I153 HydrophobicContact CG2-CB 4.19Å; V130-I153 HydrophobicContact CG2-CG2 3.6Å; V130-I153 PolarHBondContact N-O 3.05Å; V130-F155 HydrophobicContact CB-CE2 4.14Å; V130-F155 HydrophobicContact CB-CZ 4.09Å; V130-F155 HydrophobicContact CG1-CE1 4.38Å; V130-F155 HydrophobicContact CG1-CE2 4.32Å; V130-F155 HydrophobicContact CG1-CZ 3.79Å; V130-F155 HydrophobicContact CG2-CD1 4.28Å; V130-F155 HydrophobicContact CG2-CD2 4.06Å; V130-F155 HydrophobicContact CG2-CE1 3.97Å; V130-F155 HydrophobicContact CG2-CE2 3.74Å; V130-F155 HydrophobicContact CG2-CG 4.34Å; V130-F155 HydrophobicContact CG2-CZ 3.7Å; V130-E161 HydrophobicContact CG2-CB 4.49Å; V130-E161 HydrophobicContact CG2-CG 4.05Å
131G85.4Confident92Very high16 Ų1631.1 Ų31.117%0.16517%0.17CC..  trans75.92.7178.200000116P80 S106P80-G131 WeakPolarHBondContact CA-O 3.35Å; P80-G131 WeakPolarHBondContact CB-O 3.39Å; S106-G131 PolarHBondContact OG-O 2.73Å
132K89.4Confident92.4Very high97 Ų9733.3 Ų33.342%0.42218%0.183SC..  trans-63.2169.1172.8-67.2178.6-177174.80112.1S106 V130 G134 I153 E161S106-K132 VanDerWaalsContact CB-O 3.25Å; S106-K132 WeakPolarHBondContact CB-O 3.02Å; S106-K132 PolarHBondContact OG-O 3.24Å; V130-K132 HydrophobicContact CB-CG 4.49Å; V130-K132 HydrophobicContact CG1-CD 4.07Å; V130-K132 HydrophobicContact CG1-CG 4.04Å; V130-K132 PolarHBondContact O-N 2.98Å; K132-G134 PolarHBondContact O-N 3.32Å; K132-I153 HydrophobicContact CB-CD1 4.3Å; K132-I153 HydrophobicContact CD-CD1 4.16Å; K132-E161 IonicContact NZ-OE1 2.66Å; K132-E161 PolarHBondContact NZ-OE1 3.47Å; K132-E161 IonicContact NZ-OE2 2.64Å; K132-E161 PolarHBondContact NZ-OE2 2.93Å
133S86.6Confident92.6Very high88 Ų8839.4 Ų39.462%0.61521%0.21SC*.SBendtrans-54.3130.2174.9-43.80000109.8L78 P80L78-S133 WeakPolarHBondContact O-CA 3.39Å; P80-S133 WeakPolarHBondContact CD-OG 3.23Å; P80-S133 WeakPolarHBondContact CG-OG 3.5Å
134G89.3Confident92.7Very high26 Ų2641.2 Ų41.227%0.26822%0.219SC..EExtended strand (participates in β ladder)trans-143.5172.2-170.500000112.4L78 K132L78-G134 PolarHBondContact N-O 2.99Å; L78-G134 PolarHBondContact O-N 3.05Å; L78-G134 VanDerWaalsContact O-N 3.11Å; K132-G134 PolarHBondContact O-N 3.32Å
135Q93.2Very high92.7Very high67 Ų6741.2 Ų41.231%0.31322%0.219SC..EExtended strand (participates in β ladder)trans-108.7138.1167.9-176.8171.33600108.4P150Q135-P150 HydrophobicContact CB-CG 4.2Å; Q135-P150 HydrophobicContact CG-CG 4.13Å; Q135-P150 WeakPolarHBondContact O-CD 3.33Å
136V95.9Very high92.8Very high0 Ų040.6 Ų40.60%022%0.217CC..EExtended strand (participates in β ladder)trans-119.2151.3161-61.80000109.9L76 L78 L84 I104 V138 R148 W149L76-V136 HydrophobicContact CB-CG2 4.03Å; L76-V136 PolarHBondContact N-O 3Å; L76-V136 PolarHBondContact O-N 3.22Å; L78-V136 HydrophobicContact CD1-CB 4.3Å; L78-V136 HydrophobicContact CD1-CG1 3.48Å; L78-V136 VanDerWaalsContact CD1-CG1 3.48Å; L78-V136 HydrophobicContact CD1-CG2 3.86Å; L78-V136 HydrophobicContact CD2-CG2 3.9Å; L78-V136 HydrophobicContact CG-CG1 4.06Å; L78-V136 HydrophobicContact CG-CG2 3.8Å; L84-V136 HydrophobicContact CD2-CG2 4.12Å; I104-V136 HydrophobicContact CG2-CG1 4.19Å; V136-V138 HydrophobicContact CG2-CG2 4.3Å; V136-R148 CarbonylContact C-O 3.59Å; V136-R148 WeakPolarHBondContact CA-O 3.3Å; V136-W149 HydrophobicContact CG1-CG 4.27Å
137E96.3Very high92.9Very high9 Ų940.6 Ų40.64%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-120.6122.5177.1-83.2-177.9-177.100107.8Y73 E74 K75 R148Y73-E137 HydrophobicContact CD1-CB 3.7Å; Y73-E137 HydrophobicContact CE1-CB 4.49Å; Y73-E137 HydrophobicContact CG-CB 3.93Å; E74-E137 WeakPolarHBondContact O-CA 3.07Å; K75-E137 WeakPolarHBondContact CE-OE1 3.47Å; K75-E137 HydrophobicContact CG-CG 3.81Å; E137-R148 HydrophobicContact CB-CB 3.97Å; E137-R148 HydrophobicContact CB-CG 4.26Å; E137-R148 PolarHBondContact N-O 3.35Å; E137-R148 PolarHBondContact O-N 3.31Å; E137-R148 IonicContact OE1-NH1 2.77Å; E137-R148 VanDerWaalsContact OE2-CD 3.26Å; E137-R148 WeakPolarHBondContact OE2-CD 3.36Å; E137-R148 IonicContact OE2-CZ 2.76Å; E137-R148 IonicContact OE2-NE 2.68Å; E137-R148 PolarHBondContact OE2-NE 3.5Å; E137-R148 IonicContact OE2-NH1 3.88Å; E137-R148 PolarHBondContact OE2-NH1 3.4Å; E137-R148 IonicContact OE2-NH2 3.93Å
138V96.6Very high93.1Very high6 Ų642 Ų424%0.03622%0.222CC..EExtended strand (participates in β ladder)trans-119.3134.6-173.7-175.60000111.2Y73 E74 L76 L84 I86 I104 V136 H140 L145 T146Y73-V138 WeakPolarHBondContact CA-O 3.34Å; E74-V138 PolarHBondContact N-O 2.95Å; E74-V138 PolarHBondContact O-N 3.45Å; L76-V138 HydrophobicContact CD1-CG2 4.31Å; L84-V138 HydrophobicContact CD2-CG2 4.08Å; I86-V138 HydrophobicContact CD1-CG1 3.85Å; I86-V138 HydrophobicContact CD1-CG2 4.38Å; I104-V138 HydrophobicContact CD1-CG2 4.44Å; V136-V138 HydrophobicContact CG2-CG2 4.3Å; V138-H140 HydrophobicContact CG1-CB 4.18Å; V138-L145 HydrophobicContact CG1-CD1 3.63Å; V138-T146 WeakPolarHBondContact CA-O 2.97Å
139I95.3Very high93.6Very high30 Ų3038.1 Ų38.115%0.15421%0.207CC..EExtended strand (participates in β ladder)trans-118.6125.5162.7-71.8168.5000107.5Y73 L144 L145 T146Y73-I139 HydrophobicContact CD1-CB 4.41Å; Y73-I139 HydrophobicContact CD1-CD1 3.69Å; Y73-I139 HydrophobicContact CD1-CG1 3.53Å; Y73-I139 HydrophobicContact CD2-CD1 3.85Å; Y73-I139 HydrophobicContact CD2-CG1 4.37Å; Y73-I139 HydrophobicContact CE1-CB 4.44Å; Y73-I139 HydrophobicContact CE1-CD1 3.54Å; Y73-I139 HydrophobicContact CE1-CG1 3.78Å; Y73-I139 HydrophobicContact CE2-CD1 3.71Å; Y73-I139 HydrophobicContact CG-CD1 3.84Å; Y73-I139 HydrophobicContact CG-CG1 3.85Å; I139-L144 HydrophobicContact CG2-CD1 4.11Å; I139-L145 CarbonylContact O-C 3.57Å; I139-L145 WeakPolarHBondContact O-CA 3.03Å; I139-T146 PolarHBondContact N-O 3.06Å; I139-T146 PolarHBondContact O-N 2.89Å
140H94.3Very high94Very high56 Ų5638.3 Ų38.326%0.25921%0.206SC..EExtended strand (participates in β ladder)trans-140.1110.6-173.5178.9-142.5000112.5D87 T88 K89 V138 L145D87-H140 VanDerWaalsContact C-NE2 3.31Å; D87-H140 PolarHBondContact O-NE2 2.85Å; T88-H140 VanDerWaalsContact CA-NE2 3.3Å; T88-H140 WeakPolarHBondContact CA-NE2 3.02Å; K89-H140 WeakPolarHBondContact CG-NE2 3.38Å; K89-H140 PolarHBondContact N-NE2 2.78Å; K89-H140 PolarHBondContact NZ-O 3.49Å; V138-H140 HydrophobicContact CG1-CB 4.18Å; H140-L145 HydrophobicContact CB-CD1 3.71Å
141N94.9Very high94.4Very high52 Ų5240.5 Ų40.528%0.27822%0.217SC..  trans-133.5-167.6179.963.337.7000111.5F90 K143 L144F90-N141 VanDerWaalsContact CD1-O 3.24Å; F90-N141 WeakPolarHBondContact CD1-O 3.42Å; F90-N141 WeakPolarHBondContact CE1-O 3.48Å; N141-K143 VanDerWaalsContact C-N 3.27Å; N141-K143 PolarHBondContact O-N 3.22Å; N141-K143 PolarHBondContact OD1-N 2.98Å; N141-L144 PolarHBondContact N-O 3.44Å; N141-L144 VanDerWaalsContact N-O 3.08Å; N141-L144 PolarHBondContact OD1-N 3.48Å; N141-L144 PolarHBondContact OD1-O 3.49Å
142D96Very high94.9Very high100 Ų10039.9 Ų39.954%0.53521%0.209SC..SBendtrans-71.6-12.2-179.662.2-46.2000114.7
143K95.4Very high95.2Very high129 Ų12936.9 Ų36.956%0.56120%0.198SC*.SBendtrans-115.9-31.8-173-63.1173.2-170.8175.90113.4N141 V174N141-K143 VanDerWaalsContact C-N 3.27Å; N141-K143 PolarHBondContact O-N 3.22Å; N141-K143 PolarHBondContact OD1-N 2.98Å; K143-V174 WeakPolarHBondContact O-CB 3.49Å; K143-V174 WeakPolarHBondContact O-CG1 3.42Å; K143-V174 PolarHBondContact O-N 3.43Å
144L96Very high95.5Very high41 Ų4132.7 Ų32.722%0.21517%0.168CC..EExtended strand (participates in β ladder)trans-153.3157.7-176.558.575.5000113.5I139 N141 T171 L172I139-L144 HydrophobicContact CG2-CD1 4.11Å; N141-L144 PolarHBondContact N-O 3.44Å; N141-L144 VanDerWaalsContact N-O 3.08Å; N141-L144 PolarHBondContact OD1-N 3.48Å; N141-L144 PolarHBondContact OD1-O 3.49Å; L144-T171 HydrophobicContact CB-CG2 3.84Å; L144-T171 HydrophobicContact CD1-CG2 4.48Å; L144-T171 HydrophobicContact CD2-CG2 4.15Å; L144-T171 HydrophobicContact CG-CG2 4.38Å; L144-L172 CarbonylContact C-O 3.52Å; L144-L172 VanDerWaalsContact CA-O 3.27Å; L144-L172 WeakPolarHBondContact CA-O 3.49Å
145L97Very high95.5Very high0 Ų034.2 Ų34.20%017%0.168CC..EExtended strand (participates in β ladder)trans-121.3113.2165.1173.367.2000107.6I86 T88 F90 V102 V138 I139 H140 V147 T171 L172I86-L145 HydrophobicContact CD1-CD1 4.17Å; T88-L145 HydrophobicContact CG2-CD2 4.08Å; F90-L145 HydrophobicContact CE1-CB 4.4Å; F90-L145 HydrophobicContact CZ-CB 4.22Å; V102-L145 HydrophobicContact CG2-CD2 3.52Å; V138-L145 HydrophobicContact CG1-CD1 3.63Å; I139-L145 CarbonylContact O-C 3.57Å; I139-L145 WeakPolarHBondContact O-CA 3.03Å; H140-L145 HydrophobicContact CB-CD1 3.71Å; L145-V147 HydrophobicContact CG-CG2 4.33Å; L145-T171 CarbonylContact O-C 3.59Å; L145-T171 WeakPolarHBondContact O-CA 3.28Å; L145-L172 HydrophobicContact CD2-CD1 4.48Å; L145-L172 PolarHBondContact N-O 3.32Å; L145-L172 PolarHBondContact O-N 3.26Å
146T96.9Very high95.1Very high6 Ų631.9 Ų31.94%0.03716%0.158CC..EExtended strand (participates in β ladder)trans-104.2130.4172.1-62.30000109.6Y73 V138 I139 I169 C170 T171Y73-T146 HydrophobicContact CE1-CG2 4.01Å; V138-T146 WeakPolarHBondContact CA-O 2.97Å; I139-T146 PolarHBondContact N-O 3.06Å; I139-T146 PolarHBondContact O-N 2.89Å; T146-I169 HydrophobicContact CG2-CG2 3.41Å; T146-I169 VanDerWaalsContact CG2-CG2 3.41Å; T146-C170 WeakPolarHBondContact CA-O 3.5Å; T146-T171 WeakPolarHBondContact CG2-OG1 3.48Å; T146-T171 VanDerWaalsContact OG1-CG2 3.28Å; T146-T171 WeakPolarHBondContact OG1-CG2 3.47Å; T146-T171 PolarHBondContact OG1-OG1 2.03Å
147V97.4Very high94.5Very high0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans-117.2125.1173.3-172.70000108I104 I110 L145 W149 I169 C170I104-V147 HydrophobicContact CD1-CB 4.44Å; I104-V147 HydrophobicContact CD1-CG1 4.13Å; I104-V147 HydrophobicContact CD1-CG2 3.42Å; I104-V147 VanDerWaalsContact CD1-CG2 3.42Å; I104-V147 HydrophobicContact CG1-CG1 4.37Å; I104-V147 HydrophobicContact CG1-CG2 3.98Å; I104-V147 HydrophobicContact CG2-CG1 3.64Å; I110-V147 HydrophobicContact CD1-CB 4.14Å; I110-V147 HydrophobicContact CD1-CG2 3.84Å; L145-V147 HydrophobicContact CG-CG2 4.33Å; V147-W149 HydrophobicContact CB-CH2 4Å; V147-W149 HydrophobicContact CB-CZ3 4.09Å; V147-W149 HydrophobicContact CG1-CD2 4.29Å; V147-W149 HydrophobicContact CG1-CE3 4.2Å; V147-W149 HydrophobicContact CG1-CH2 3.57Å; V147-W149 HydrophobicContact CG1-CZ2 3.66Å; V147-W149 HydrophobicContact CG1-CZ3 3.84Å; V147-I169 CarbonylContact O-C 3.56Å; V147-I169 WeakPolarHBondContact O-CA 3.29Å; V147-C170 PolarHBondContact N-O 2.02Å; V147-C170 PolarHBondContact O-N 3.31Å
148R97Very high93.9Very high30 Ų3038.8 Ų38.811%0.11320%0.196CC..EExtended strand (participates in β ladder)trans-119.4128.8176.6166.3172.3170.5-140.2-7.6109.3Y73 V136 E137 P150 I168 I169Y73-R148 HydrophobicContact CE1-CB 4.11Å; V136-R148 CarbonylContact C-O 3.59Å; V136-R148 WeakPolarHBondContact CA-O 3.3Å; E137-R148 HydrophobicContact CB-CB 3.97Å; E137-R148 HydrophobicContact CB-CG 4.26Å; E137-R148 PolarHBondContact N-O 3.35Å; E137-R148 PolarHBondContact O-N 3.31Å; E137-R148 IonicContact OE1-NH1 2.77Å; E137-R148 VanDerWaalsContact OE2-CD 3.26Å; E137-R148 WeakPolarHBondContact OE2-CD 3.36Å; E137-R148 IonicContact OE2-CZ 2.76Å; E137-R148 IonicContact OE2-NE 2.68Å; E137-R148 PolarHBondContact OE2-NE 3.5Å; E137-R148 IonicContact OE2-NH1 3.88Å; E137-R148 PolarHBondContact OE2-NH1 3.4Å; E137-R148 IonicContact OE2-NH2 3.93Å; R148-P150 VanDerWaalsContact O-CD 3.29Å; R148-P150 WeakPolarHBondContact O-CD 3.46Å; R148-I168 WeakPolarHBondContact CA-O 3.17Å; R148-I169 HydrophobicContact CB-CG1 4.07Å; R148-I169 HydrophobicContact CB-CG2 4.33Å; R148-I169 HydrophobicContact CG-CD1 4.49Å; R148-I169 HydrophobicContact CG-CG1 3.94Å
149W97.3Very high93.4Very high2 Ų240.8 Ų40.81%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-100.799.9166.7-61.1-101.9000107.1I104 S105 I110 V126 V136 V147 N151 L152 K167 I168 C170I104-W149 HydrophobicContact CG2-CZ2 4.07Å; S105-W149 PolarHBondContact O-NE1 2.02Å; I110-W149 HydrophobicContact CD1-CH2 3.93Å; I110-W149 HydrophobicContact CG1-CH2 3.72Å; I110-W149 HydrophobicContact CG1-CZ2 4.21Å; V126-W149 HydrophobicContact CB-CZ3 4.49Å; V126-W149 HydrophobicContact CG1-CH2 3.81Å; V126-W149 HydrophobicContact CG1-CZ3 3.79Å; V126-W149 HydrophobicContact CG2-CE3 4.15Å; V126-W149 HydrophobicContact CG2-CH2 4.3Å; V126-W149 HydrophobicContact CG2-CZ3 3.96Å; V136-W149 HydrophobicContact CG1-CG 4.27Å; V147-W149 HydrophobicContact CB-CH2 4Å; V147-W149 HydrophobicContact CB-CZ3 4.09Å; V147-W149 HydrophobicContact CG1-CD2 4.29Å; V147-W149 HydrophobicContact CG1-CE3 4.2Å; V147-W149 HydrophobicContact CG1-CH2 3.57Å; V147-W149 HydrophobicContact CG1-CZ2 3.66Å; V147-W149 HydrophobicContact CG1-CZ3 3.84Å; W149-N151 PolarHBondContact O-N 3.43Å; W149-L152 HydrophobicContact CB-CB 3.91Å; W149-L152 HydrophobicContact CB-CD1 4.47Å; W149-L152 HydrophobicContact CG-CD1 4.34Å; W149-K167 WeakPolarHBondContact O-CA 2.95Å; W149-I168 PolarHBondContact N-O 3.33Å; W149-I168 PolarHBondContact O-N 2.76Å; W149-C170 HydrophobicContact CH2-CB 4.43Å; W149-C170 HydrophobicContact CZ3-CB 3.94Å
150P96.2Very high93.1Very high16 Ų1644.3 Ų44.310%0.10424%0.236CC..EExtended strand (participates in β ladder)trans-71.3-18-178.628.6-36.3000113.7Q135 R148Q135-P150 HydrophobicContact CB-CG 4.2Å; Q135-P150 HydrophobicContact CG-CG 4.13Å; Q135-P150 WeakPolarHBondContact O-CD 3.33Å; R148-P150 VanDerWaalsContact O-CD 3.29Å; R148-P150 WeakPolarHBondContact O-CD 3.46Å
151N96Very high92.9Very high79 Ų7945.2 Ų45.242%0.42224%0.241SC..EExtended strand (participates in β ladder)trans-146.347.8-169.1-74.8-62.7000111W149 I153 K165W149-N151 PolarHBondContact O-N 3.43Å; N151-I153 PolarHBondContact O-N 3.18Å; N151-K165 HydrophobicContact CB-CD 3.88Å
152L96.2Very high92.7Very high3 Ų344.5 Ų44.52%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-70.3116.2-179.2-173.765.4000110.2S106 V126 F127 W149 I154 K165 A166 I168S106-L152 WeakPolarHBondContact O-CD1 3.37Å; V126-L152 HydrophobicContact CG2-CD2 4.46Å; F127-L152 HydrophobicContact CB-CD2 3.9Å; W149-L152 HydrophobicContact CB-CB 3.91Å; W149-L152 HydrophobicContact CB-CD1 4.47Å; W149-L152 HydrophobicContact CG-CD1 4.34Å; L152-I154 HydrophobicContact CB-CG2 4.4Å; L152-I154 HydrophobicContact CD2-CG2 3.82Å; L152-I154 HydrophobicContact CG-CG2 3.77Å; L152-K165 CarbonylContact O-C 3.53Å; L152-K165 WeakPolarHBondContact O-CA 3.04Å; L152-A166 HydrophobicContact CB-CB 4.32Å; L152-A166 WeakPolarHBondContact CB-O 3.42Å; L152-A166 PolarHBondContact N-O 3.17Å; L152-A166 PolarHBondContact O-N 3.34Å; L152-I168 HydrophobicContact CD2-CD1 3.79Å
153I94.9Very high92.6Very high34 Ų3449 Ų4917%0.17425%0.254CS..  trans-76.7126.4170.6-52.7177.8000107.5G129 V130 K132 N151 E161 K165G129-I153 CarbonylContact C-O 3.57Å; G129-I153 WeakPolarHBondContact CA-O 3.41Å; V130-I153 HydrophobicContact CB-CB 4.42Å; V130-I153 HydrophobicContact CB-CG2 4.15Å; V130-I153 HydrophobicContact CG2-CB 4.19Å; V130-I153 HydrophobicContact CG2-CG2 3.6Å; V130-I153 PolarHBondContact N-O 3.05Å; K132-I153 HydrophobicContact CB-CD1 4.3Å; K132-I153 HydrophobicContact CD-CD1 4.16Å; N151-I153 PolarHBondContact O-N 3.18Å; I153-E161 HydrophobicContact CG2-CG 3.69Å; I153-E161 VanDerWaalsContact CG2-OE1 3.26Å; I153-E161 WeakPolarHBondContact CG2-OE1 3.32Å; I153-K165 HydrophobicContact CG1-CD 4.26Å; I153-K165 HydrophobicContact CG1-CG 4.39Å
154I93.8Very high92.5Very high0 Ų048.5 Ų48.50%025%0.253CS..BIsolated β-bridgetrans-125.5160.1-170.857.1157.3000113.2F127 Y128 L152 M162 A166 P186 V189F127-I154 HydrophobicContact CB-CG2 4.45Å; F127-I154 HydrophobicContact CD1-CB 3.73Å; F127-I154 HydrophobicContact CD1-CD1 4.29Å; F127-I154 HydrophobicContact CD1-CG2 3.38Å; F127-I154 HydrophobicContact CE1-CB 3.74Å; F127-I154 HydrophobicContact CE1-CD1 3.54Å; F127-I154 HydrophobicContact CE1-CG1 4.25Å; F127-I154 HydrophobicContact CE1-CG2 3.82Å; F127-I154 HydrophobicContact CG-CG2 4.11Å; F127-I154 HydrophobicContact CZ-CD1 3.94Å; Y128-I154 WeakPolarHBondContact O-CA 3.48Å; L152-I154 HydrophobicContact CB-CG2 4.4Å; L152-I154 HydrophobicContact CD2-CG2 3.82Å; L152-I154 HydrophobicContact CG-CG2 3.77Å; I154-M162 HydrophobicContact CD1-CG 4.38Å; I154-M162 HydrophobicContact CG1-CB 4.18Å; I154-M162 HydrophobicContact CG1-CG 4.19Å; I154-M162 PolarHBondContact O-N 3.49Å; I154-A166 HydrophobicContact CD1-CB 4.1Å; I154-A166 HydrophobicContact CG1-CB 4.33Å; I154-A166 HydrophobicContact CG2-CB 3.76Å; I154-P186 HydrophobicContact CD1-CG 4.15Å; I154-V189 HydrophobicContact CD1-CG1 3.92Å; I154-V189 HydrophobicContact CD1-CG2 3.77Å
155F88.6Confident92.5Very high58 Ų5851.2 Ų51.225%0.25426%0.263SS..BIsolated β-bridgetrans-97.4142.4168-62.9-73.4000112.1Y128 V130 G159 I160 E161Y128-F155 PolarHBondContact O-N 2.89Å; Y128-F155 VanDerWaalsContact O-N 3.09Å; V130-F155 HydrophobicContact CB-CE2 4.14Å; V130-F155 HydrophobicContact CB-CZ 4.09Å; V130-F155 HydrophobicContact CG1-CE1 4.38Å; V130-F155 HydrophobicContact CG1-CE2 4.32Å; V130-F155 HydrophobicContact CG1-CZ 3.79Å; V130-F155 HydrophobicContact CG2-CD1 4.28Å; V130-F155 HydrophobicContact CG2-CD2 4.06Å; V130-F155 HydrophobicContact CG2-CE1 3.97Å; V130-F155 HydrophobicContact CG2-CE2 3.74Å; V130-F155 HydrophobicContact CG2-CG 4.34Å; V130-F155 HydrophobicContact CG2-CZ 3.7Å; F155-G159 VanDerWaalsContact CD1-O 3.24Å; F155-G159 WeakPolarHBondContact CD1-O 3.32Å; F155-I160 WeakPolarHBondContact CA-O 3.47Å; F155-E161 HydrophobicContact CD1-CB 4.33Å; F155-E161 HydrophobicContact CE1-CB 4.27Å
156N85.9Confident92.5Very high19 Ų1951.2 Ų51.210%0.10226%0.263CS..  trans-75177.9166.373.47.9000112.5H158 G159 I160 M162 V189N156-H158 PolarHBondContact O-N 2.79Å; N156-H158 VanDerWaalsContact O-N 3.1Å; N156-H158 WeakPolarHBondContact OD1-CA 3.34Å; N156-H158 PolarHBondContact OD1-N 2.93Å; N156-G159 PolarHBondContact O-N 2.96Å; N156-G159 PolarHBondContact OD1-N 2.77Å; N156-I160 PolarHBondContact N-O 3.22Å; N156-I160 PolarHBondContact OD1-N 2.96Å; N156-I160 PolarHBondContact OD1-O 2.8Å; N156-M162 HydrophobicContact CB-CG 4.35Å; N156-M162 HydrophobicContact CB-SD 3.83Å; N156-V189 HydrophobicContact CB-CG1 4.34Å
157A82.5Confident92.5Very high39 Ų3953 Ų5332%0.32227%0.271SS..THydrogen-bonded Turntrans-58.3-21.317900000114.5V189 Y203A157-V189 PolarHBondContact N-O 3.1Å; A157-V189 VanDerWaalsContact N-O 3.16Å; A157-Y203 HydrophobicContact CB-CD1 4.43Å; A157-Y203 HydrophobicContact CB-CG 4.47Å
158H84.5Confident92.5Very high115 Ų11553 Ų5353%0.53227%0.271SS..THydrogen-bonded Turntrans-92.20.9176.6-49.6-56.1000113.8N156 I160 E194N156-H158 PolarHBondContact O-N 2.79Å; N156-H158 VanDerWaalsContact O-N 3.1Å; N156-H158 WeakPolarHBondContact OD1-CA 3.34Å; N156-H158 PolarHBondContact OD1-N 2.93Å; H158-I160 HydrophobicContact CB-CD1 4.32Å; H158-I160 HydrophobicContact CB-CG1 4.31Å; H158-E194 IonicContact CE1-OE2 3.7Å; H158-E194 PolarHBondContact CE1-OE2 2.96Å
159G85Confident92.5Very high48 Ų4851.6 Ų51.650%0.49527%0.265SS..SBendtrans78.515.9-177.300000114.4F155 N156F155-G159 VanDerWaalsContact CD1-O 3.24Å; F155-G159 WeakPolarHBondContact CD1-O 3.32Å; N156-G159 PolarHBondContact O-N 2.96Å; N156-G159 PolarHBondContact OD1-N 2.77Å
160I88.6Confident92.5Very high103 Ų10351.5 Ų51.553%0.52827%0.265SS..PPolyproline II helixtrans-88.5133.7175.7-55.3173.2000108.7F155 N156 H158F155-I160 WeakPolarHBondContact CA-O 3.47Å; N156-I160 PolarHBondContact N-O 3.22Å; N156-I160 PolarHBondContact OD1-N 2.96Å; N156-I160 PolarHBondContact OD1-O 2.8Å; H158-I160 HydrophobicContact CB-CD1 4.32Å; H158-I160 HydrophobicContact CB-CG1 4.31Å
161E91Very high92.6Very high76 Ų7651 Ų5136%0.35526%0.262SS..BIsolated β-bridgetrans-67129.1175.4176.7172172.300110.5V130 K132 I153 F155V130-E161 HydrophobicContact CG2-CB 4.49Å; V130-E161 HydrophobicContact CG2-CG 4.05Å; K132-E161 IonicContact NZ-OE1 2.66Å; K132-E161 PolarHBondContact NZ-OE1 3.47Å; K132-E161 IonicContact NZ-OE2 2.64Å; K132-E161 PolarHBondContact NZ-OE2 2.93Å; I153-E161 HydrophobicContact CG2-CG 3.69Å; I153-E161 VanDerWaalsContact CG2-OE1 3.26Å; I153-E161 WeakPolarHBondContact CG2-OE1 3.32Å; F155-E161 HydrophobicContact CD1-CB 4.33Å; F155-E161 HydrophobicContact CE1-CB 4.27Å
162M91.5Very high92.6Very high36 Ų3647.3 Ų47.318%0.17724%0.242CC..PPolyproline II helixtrans-84.1137.9178.1-62.6-66.3-74.100111I154 N156 E164 P186 V189I154-M162 HydrophobicContact CD1-CG 4.38Å; I154-M162 HydrophobicContact CG1-CB 4.18Å; I154-M162 HydrophobicContact CG1-CG 4.19Å; I154-M162 PolarHBondContact O-N 3.49Å; N156-M162 HydrophobicContact CB-CG 4.35Å; N156-M162 HydrophobicContact CB-SD 3.83Å; M162-E164 WeakPolarHBondContact CB-O 3.31Å; M162-P186 HydrophobicContact CE-CB 4.11Å; M162-V189 HydrophobicContact CE-CG2 3.96Å; M162-V189 HydrophobicContact CG-CG2 4.39Å
163E92.4Very high92.7Very high195 Ų19549.6 Ų49.691%0.91125%0.252SS*.SBendtrans-66.4-41.6171.3-62.3-173.5170.200111.5
164E94.5Very high92.7Very high118 Ų11851.2 Ų51.255%0.55126%0.263SS*.SBendtrans-73138.7173-68.2-173-17100111.2M162 P186M162-E164 WeakPolarHBondContact CB-O 3.31Å; E164-P186 HydrophobicContact CB-CB 3.67Å; E164-P186 HydrophobicContact CB-CG 3.54Å; E164-P186 WeakPolarHBondContact O-CG 3.46Å; E164-P186 WeakPolarHBondContact OE2-CA 3.05Å; E164-P186 VanDerWaalsContact OE2-CB 3.32Å; E164-P186 WeakPolarHBondContact OE2-CB 3.5Å
165K95.6Very high92.7Very high99 Ų9955.6 Ų55.643%0.4329%0.287SS..PPolyproline II helixtrans-100.6140.9-175.5-58.1-177.2-172.7178.40111.2N151 L152 I153N151-K165 HydrophobicContact CB-CD 3.88Å; L152-K165 CarbonylContact O-C 3.53Å; L152-K165 WeakPolarHBondContact O-CA 3.04Å; I153-K165 HydrophobicContact CG1-CD 4.26Å; I153-K165 HydrophobicContact CG1-CG 4.39Å
166A96.6Very high92.9Very high0 Ų053 Ų530%028%0.276CS..EExtended strand (participates in β ladder)trans-79.1149.1172.100000111.7L152 I154 I168 T184 I185L152-A166 HydrophobicContact CB-CB 4.32Å; L152-A166 WeakPolarHBondContact CB-O 3.42Å; L152-A166 PolarHBondContact N-O 3.17Å; L152-A166 PolarHBondContact O-N 3.34Å; I154-A166 HydrophobicContact CD1-CB 4.1Å; I154-A166 HydrophobicContact CG1-CB 4.33Å; I154-A166 HydrophobicContact CG2-CB 3.76Å; A166-I168 HydrophobicContact CB-CD1 4.12Å; A166-I168 HydrophobicContact CB-CG1 4.15Å; A166-T184 CarbonylContact C-O 3.55Å; A166-T184 WeakPolarHBondContact CA-O 3.22Å; A166-I185 HydrophobicContact CB-CD1 4.03Å
167K97Very high93.4Very high44 Ų4453 Ų5319%0.19128%0.276CS..EExtended strand (participates in β ladder)trans-121.1107.9176-167.5-179.3-173.5-161.60108.5W149 E183 T184W149-K167 WeakPolarHBondContact O-CA 2.95Å; K167-E183 HydrophobicContact CB-CB 4.36Å; K167-E183 HydrophobicContact CD-CB 4.2Å; K167-E183 VanDerWaalsContact CD-CD 3.49Å; K167-E183 HydrophobicContact CD-CG 4.01Å; K167-E183 VanDerWaalsContact CD-OE2 3.23Å; K167-E183 WeakPolarHBondContact CD-OE2 2.8Å; K167-E183 VanDerWaalsContact CE-CD 3.41Å; K167-E183 WeakPolarHBondContact CE-OE2 3.46Å; K167-E183 HydrophobicContact CG-CB 4.18Å; K167-E183 IonicContact NZ-OE1 3.83Å; K167-E183 PolarHBondContact NZ-OE1 3.43Å; K167-E183 IonicContact NZ-OE2 3.03Å; K167-E183 PolarHBondContact NZ-OE2 3.45Å; K167-E183 PolarHBondContact O-N 2.87Å; K167-T184 PolarHBondContact N-O 3.27Å; K167-T184 PolarHBondContact O-N 2.79Å; K167-T184 VanDerWaalsContact O-N 3.12Å
168I97.1Very high94.1Very high0 Ų051.3 Ų51.30%026%0.262CS..EExtended strand (participates in β ladder)trans-131.3138.9-170-50.3-179000109.6V126 F127 R148 W149 L152 A166 I180 F182 I185V126-I168 HydrophobicContact CB-CG2 4.08Å; V126-I168 HydrophobicContact CG2-CB 4.29Å; V126-I168 HydrophobicContact CG2-CD1 4.09Å; V126-I168 HydrophobicContact CG2-CG2 3.79Å; F127-I168 HydrophobicContact CB-CD1 3.71Å; F127-I168 HydrophobicContact CD2-CD1 3.82Å; F127-I168 HydrophobicContact CG-CD1 3.99Å; R148-I168 WeakPolarHBondContact CA-O 3.17Å; W149-I168 PolarHBondContact N-O 3.33Å; W149-I168 PolarHBondContact O-N 2.76Å; L152-I168 HydrophobicContact CD2-CD1 3.79Å; A166-I168 HydrophobicContact CB-CD1 4.12Å; A166-I168 HydrophobicContact CB-CG1 4.15Å; I168-I180 HydrophobicContact CG2-CG2 3.82Å; I168-F182 HydrophobicContact CD1-CD1 3.91Å; I168-F182 HydrophobicContact CD1-CE1 4.04Å; I168-F182 HydrophobicContact CG1-CD1 4.02Å; I168-F182 HydrophobicContact CG2-CD1 3.95Å; I168-F182 HydrophobicContact CG2-CE1 4.07Å; I168-I185 HydrophobicContact CD1-CD1 4.23Å; I168-I185 HydrophobicContact CG1-CD1 4.34Å
169I97.3Very high94.7Very high0 Ų046.2 Ų46.20%024%0.239CC..EExtended strand (participates in β ladder)trans-123131.3176.8-49.3180000108.2I68 T146 V147 R148 I180 F181I68-I169 HydrophobicContact CD1-CB 3.96Å; I68-I169 HydrophobicContact CD1-CD1 4.11Å; I68-I169 HydrophobicContact CD1-CG2 3.62Å; T146-I169 HydrophobicContact CG2-CG2 3.41Å; T146-I169 VanDerWaalsContact CG2-CG2 3.41Å; V147-I169 CarbonylContact O-C 3.56Å; V147-I169 WeakPolarHBondContact O-CA 3.29Å; R148-I169 HydrophobicContact CB-CG1 4.07Å; R148-I169 HydrophobicContact CB-CG2 4.33Å; R148-I169 HydrophobicContact CG-CD1 4.49Å; R148-I169 HydrophobicContact CG-CG1 3.94Å; I169-I180 CarbonylContact O-C 3.51Å; I169-I180 VanDerWaalsContact O-CA 3.26Å; I169-I180 WeakPolarHBondContact O-CA 3.47Å; I169-F181 HydrophobicContact CB-CB 4.44Å; I169-F181 HydrophobicContact CD1-CD1 4.41Å; I169-F181 PolarHBondContact N-O 2.92Å; I169-F181 PolarHBondContact O-N 3.35Å
170C97.8Very high95.3Very high0 Ų043.9 Ų43.90%022%0.215CC..EExtended strand (participates in β ladder)trans-126.8127.1174.1179.30000109.7I110 V126 T146 V147 W149 S179 I180I110-C170 HydrophobicContact CD1-CB 4.09Å; V126-C170 HydrophobicContact CG1-CB 3.92Å; T146-C170 WeakPolarHBondContact CA-O 3.5Å; V147-C170 PolarHBondContact N-O 2.02Å; V147-C170 PolarHBondContact O-N 3.31Å; W149-C170 HydrophobicContact CH2-CB 4.43Å; W149-C170 HydrophobicContact CZ3-CB 3.94Å; C170-S179 CarbonylContact C-O 3.59Å; C170-S179 WeakPolarHBondContact CA-O 3.38Å; C170-I180 HydrophobicContact CB-CD1 4.29Å; C170-I180 HydrophobicContact CB-CG1 4.19Å
171T97.3Very high95.7Very high5 Ų539.1 Ų39.13%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-118.4128.4178.1-54.60000110.6L144 L145 T146 H173 I178 S179L144-T171 HydrophobicContact CB-CG2 3.84Å; L144-T171 HydrophobicContact CD1-CG2 4.48Å; L144-T171 HydrophobicContact CD2-CG2 4.15Å; L144-T171 HydrophobicContact CG-CG2 4.38Å; L145-T171 CarbonylContact O-C 3.59Å; L145-T171 WeakPolarHBondContact O-CA 3.28Å; T146-T171 WeakPolarHBondContact CG2-OG1 3.48Å; T146-T171 VanDerWaalsContact OG1-CG2 3.28Å; T146-T171 WeakPolarHBondContact OG1-CG2 3.47Å; T146-T171 PolarHBondContact OG1-OG1 2.03Å; T171-H173 WeakPolarHBondContact CG2-NE2 3.48Å; T171-I178 WeakPolarHBondContact O-CA 3.48Å; T171-S179 WeakPolarHBondContact CB-OG 3.48Å; T171-S179 PolarHBondContact N-O 3.32Å; T171-S179 PolarHBondContact O-N 3.07Å
172L97.4Very high96Very high1 Ų135.5 Ų35.51%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-99.3122168.5-48.8-176000108.2I92 V102 I110 I112 I124 L144 L145 I178I92-L172 HydrophobicContact CD1-CD1 3.69Å; I92-L172 HydrophobicContact CG1-CD1 4.47Å; V102-L172 HydrophobicContact CG1-CD1 4.3Å; I110-L172 HydrophobicContact CG2-CD1 4.32Å; I112-L172 HydrophobicContact CD1-CD1 4.03Å; I112-L172 HydrophobicContact CG1-CD1 4.4Å; I124-L172 HydrophobicContact CD1-CD2 3.48Å; I124-L172 VanDerWaalsContact CD1-CD2 3.48Å; L144-L172 CarbonylContact C-O 3.52Å; L144-L172 VanDerWaalsContact CA-O 3.27Å; L144-L172 WeakPolarHBondContact CA-O 3.49Å; L145-L172 HydrophobicContact CD2-CD1 4.48Å; L145-L172 PolarHBondContact N-O 3.32Å; L145-L172 PolarHBondContact O-N 3.26Å; L172-I178 HydrophobicContact CD2-CB 4.44Å; L172-I178 HydrophobicContact CD2-CG1 3.99Å; L172-I178 HydrophobicContact CD2-CG2 4.03Å
173H96.8Very high96.2Very high52 Ų5235.1 Ų35.124%0.24117%0.171CC..EExtended strand (participates in β ladder)trans-100.4151.8-178-61.9-98.1000110.9T171 N175 G176 N177 S179T171-H173 WeakPolarHBondContact CG2-NE2 3.48Å; H173-N175 WeakPolarHBondContact CB-OD1 3.46Å; H173-N175 PolarHBondContact O-N 3.24Å; H173-G176 WeakPolarHBondContact O-CA 3.16Å; H173-G176 PolarHBondContact O-N 3.32Å; H173-N177 HydrophobicContact CB-CB 4.13Å; H173-N177 PolarHBondContact CD2-O 3.48Å; H173-N177 PolarHBondContact N-O 3.41Å; H173-S179 PolarHBondContact NE2-OG 3.2Å
174V95.1Very high96.4Very high67 Ų6728.9 Ų28.941%0.40615%0.147SC..THydrogen-bonded Turntrans-60.7-25179.664.90000113.9F90 K143 G176F90-V174 HydrophobicContact CB-CB 4.45Å; F90-V174 HydrophobicContact CB-CG2 3.92Å; F90-V174 HydrophobicContact CD2-CB 3.69Å; F90-V174 HydrophobicContact CD2-CG2 3.81Å; F90-V174 HydrophobicContact CE2-CB 4.15Å; F90-V174 HydrophobicContact CG-CB 4.09Å; F90-V174 HydrophobicContact CG-CG2 4.06Å; K143-V174 WeakPolarHBondContact O-CB 3.49Å; K143-V174 WeakPolarHBondContact O-CG1 3.42Å; K143-V174 PolarHBondContact O-N 3.43Å; V174-G176 PolarHBondContact O-N 3.45Å
175N93.5Very high96.4Very high93 Ų9323.6 Ų23.650%0.49712%0.122SC..THydrogen-bonded Turntrans-76.4-6.4173.266.7-5.5000113.8H173 N177H173-N175 WeakPolarHBondContact CB-OD1 3.46Å; H173-N175 PolarHBondContact O-N 3.24Å; N175-N177 PolarHBondContact ND2-OD1 3.1Å; N175-N177 WeakPolarHBondContact OD1-CB 3.41Å; N175-N177 PolarHBondContact OD1-N 3.13Å; N175-N177 PolarHBondContact OD1-OD1 2.88Å
176G94.2Very high96.3Very high2 Ų219.2 Ų19.22%0.02110%0.104CC..SBendtrans92.1-0.7-176.400000114.9K93 H173 V174 P239K93-G176 WeakPolarHBondContact O-CA 3.3Å; H173-G176 WeakPolarHBondContact O-CA 3.16Å; H173-G176 PolarHBondContact O-N 3.32Å; V174-G176 PolarHBondContact O-N 3.45Å; G176-P239 WeakPolarHBondContact O-CG 3.36Å
177N96Very high95.9Very high20 Ų2026.1 Ų26.111%0.10714%0.141CC..  trans-62.9143171.6-69.322.4000110H173 N175 E236 F237 P239H173-N177 HydrophobicContact CB-CB 4.13Å; H173-N177 PolarHBondContact CD2-O 3.48Å; H173-N177 PolarHBondContact N-O 3.41Å; N175-N177 PolarHBondContact ND2-OD1 3.1Å; N175-N177 WeakPolarHBondContact OD1-CB 3.41Å; N175-N177 PolarHBondContact OD1-N 3.13Å; N175-N177 PolarHBondContact OD1-OD1 2.88Å; N177-E236 PolarHBondContact ND2-OE1 3.47Å; N177-F237 WeakPolarHBondContact CA-O 3.46Å; N177-P239 VanDerWaalsContact OD1-CD 3.23Å; N177-P239 WeakPolarHBondContact OD1-CD 3.41Å
178I97.1Very high95Very high4 Ų426.6 Ų26.62%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-119.6120.1172-57163.1000106.2Y56 F94 I124 T171 L172 I180 I208 E236 F237Y56-I178 HydrophobicContact CE1-CD1 4.12Å; F94-I178 HydrophobicContact CD2-CD1 4.17Å; F94-I178 HydrophobicContact CE2-CD1 4.06Å; I124-I178 HydrophobicContact CD1-CD1 3.79Å; I124-I178 HydrophobicContact CD1-CG1 4.19Å; I124-I178 HydrophobicContact CD1-CG2 3.92Å; I124-I178 HydrophobicContact CG1-CD1 4.47Å; T171-I178 WeakPolarHBondContact O-CA 3.48Å; L172-I178 HydrophobicContact CD2-CB 4.44Å; L172-I178 HydrophobicContact CD2-CG1 3.99Å; L172-I178 HydrophobicContact CD2-CG2 4.03Å; I178-I180 HydrophobicContact CG2-CG1 4.38Å; I178-I208 HydrophobicContact CD1-CD1 4.07Å; I178-E236 CarbonylContact O-C 3.58Å; I178-E236 WeakPolarHBondContact O-CA 3.08Å; I178-F237 HydrophobicContact CB-CB 4.23Å; I178-F237 HydrophobicContact CB-CD2 4.29Å; I178-F237 HydrophobicContact CG2-CD2 4.32Å; I178-F237 PolarHBondContact N-O 3.17Å; I178-F237 PolarHBondContact O-N 3.16Å
179S96.9Very high94.2Very high7 Ų726.7 Ų26.75%0.04916%0.159CC..EExtended strand (participates in β ladder)trans-120.2125.817758.30000110.8C170 T171 H173 I235C170-S179 CarbonylContact C-O 3.59Å; C170-S179 WeakPolarHBondContact CA-O 3.38Å; T171-S179 WeakPolarHBondContact CB-OG 3.48Å; T171-S179 PolarHBondContact N-O 3.32Å; T171-S179 PolarHBondContact O-N 3.07Å; H173-S179 PolarHBondContact NE2-OG 3.2Å; S179-I235 CarbonylContact C-O 3.6Å; S179-I235 WeakPolarHBondContact CA-O 3.32Å
180I97.4Very high93.3Very high0 Ų028 Ų280%017%0.165CC..EExtended strand (participates in β ladder)trans-116127.8177.9-51.7-157.1000109.5I124 V126 I168 I169 C170 I178 F182 M206 F234 I235I124-I180 HydrophobicContact CG2-CD1 4.06Å; V126-I180 HydrophobicContact CB-CD1 4.14Å; V126-I180 HydrophobicContact CG1-CD1 3.87Å; I168-I180 HydrophobicContact CG2-CG2 3.82Å; I169-I180 CarbonylContact O-C 3.51Å; I169-I180 VanDerWaalsContact O-CA 3.26Å; I169-I180 WeakPolarHBondContact O-CA 3.47Å; C170-I180 HydrophobicContact CB-CD1 4.29Å; C170-I180 HydrophobicContact CB-CG1 4.19Å; I178-I180 HydrophobicContact CG2-CG1 4.38Å; I180-F182 HydrophobicContact CB-CE2 4.47Å; I180-F182 HydrophobicContact CG2-CD1 4.5Å; I180-F182 HydrophobicContact CG2-CD2 4.38Å; I180-F182 HydrophobicContact CG2-CE1 4.03Å; I180-F182 HydrophobicContact CG2-CE2 3.86Å; I180-F182 HydrophobicContact CG2-CZ 3.69Å; I180-M206 HydrophobicContact CD1-CE 3.34Å; I180-M206 HydrophobicContact CD1-SD 3.92Å; I180-M206 HydrophobicContact CG1-CE 4.17Å; I180-F234 CarbonylContact O-C 3.58Å; I180-F234 WeakPolarHBondContact O-CA 3.3Å; I180-I235 PolarHBondContact N-O 3.35Å; I180-I235 PolarHBondContact O-N 3.41Å
181F97.3Very high91.8Very high3 Ų331.3 Ų31.31%0.01318%0.182CC..EExtended strand (participates in β ladder)trans-116.3119.7174.4-175.5-119.4000110Q64 I68 I169 E183 T233 F234Q64-F181 HydrophobicContact CB-CE2 4.29Å; I68-F181 HydrophobicContact CD1-CB 3.91Å; I169-F181 HydrophobicContact CB-CB 4.44Å; I169-F181 HydrophobicContact CD1-CD1 4.41Å; I169-F181 PolarHBondContact N-O 2.92Å; I169-F181 PolarHBondContact O-N 3.35Å; F181-E183 HydrophobicContact CD1-CB 3.84Å; F181-E183 HydrophobicContact CD1-CG 4.43Å; F181-E183 HydrophobicContact CE1-CB 3.62Å; F181-E183 HydrophobicContact CE1-CG 3.79Å; F181-E183 PolarHBondContact O-N 3.09Å; F181-T233 WeakPolarHBondContact CD2-O 3.31Å; F181-F234 HydrophobicContact CB-CD2 4.26Å; F181-F234 HydrophobicContact CD2-CB 4.06Å; F181-F234 HydrophobicContact CD2-CD2 4.3Å
182F96.8Very high90.1Very high0 Ų038 Ų380%021%0.213CC..EExtended strand (participates in β ladder)trans-91.182.2175.6-60-78.4000108.1F127 I168 I180 I185 M206 I229 S231 N232 T233 I235F127-F182 HydrophobicContact CD2-CE1 4.18Å; I168-F182 HydrophobicContact CD1-CD1 3.91Å; I168-F182 HydrophobicContact CD1-CE1 4.04Å; I168-F182 HydrophobicContact CG1-CD1 4.02Å; I168-F182 HydrophobicContact CG2-CD1 3.95Å; I168-F182 HydrophobicContact CG2-CE1 4.07Å; I180-F182 HydrophobicContact CB-CE2 4.47Å; I180-F182 HydrophobicContact CG2-CD1 4.5Å; I180-F182 HydrophobicContact CG2-CD2 4.38Å; I180-F182 HydrophobicContact CG2-CE1 4.03Å; I180-F182 HydrophobicContact CG2-CE2 3.86Å; I180-F182 HydrophobicContact CG2-CZ 3.69Å; F182-I185 HydrophobicContact CB-CD1 4.21Å; F182-I185 HydrophobicContact CB-CG1 3.95Å; F182-I185 HydrophobicContact CD1-CD1 3.9Å; F182-I185 HydrophobicContact CD1-CG1 4.43Å; F182-I185 HydrophobicContact CG-CD1 4.46Å; F182-M206 HydrophobicContact CZ-SD 4.16Å; F182-I229 HydrophobicContact CD1-CG2 3.71Å; F182-I229 HydrophobicContact CD2-CG1 4.46Å; F182-I229 HydrophobicContact CD2-CG2 4Å; F182-I229 HydrophobicContact CE1-CG2 3.76Å; F182-I229 HydrophobicContact CE2-CD1 4.36Å; F182-I229 HydrophobicContact CE2-CG1 3.92Å; F182-I229 HydrophobicContact CE2-CG2 4.06Å; F182-I229 HydrophobicContact CG-CG2 3.81Å; F182-I229 HydrophobicContact CZ-CD1 3.97Å; F182-I229 HydrophobicContact CZ-CG1 4Å; F182-I229 HydrophobicContact CZ-CG2 3.93Å; F182-S231 CarbonylContact O-C 3.57Å; F182-N232 PolarHBondContact O-N 3.43Å; F182-T233 HydrophobicContact CD2-CG2 4.42Å; F182-T233 PolarHBondContact N-O 2.82Å; F182-I235 HydrophobicContact CE2-CD1 3.71Å; F182-I235 HydrophobicContact CE2-CG1 3.98Å
183E96.6Very high88.2Confident27 Ų2742.8 Ų42.813%0.12624%0.242CC..EExtended strand (participates in β ladder)trans-65.9-39.5-175.3-172.1178.6172.300111.7Y70 K167 F181Y70-E183 PolarHBondContact OH-OE1 3.48Å; K167-E183 HydrophobicContact CB-CB 4.36Å; K167-E183 HydrophobicContact CD-CB 4.2Å; K167-E183 VanDerWaalsContact CD-CD 3.49Å; K167-E183 HydrophobicContact CD-CG 4.01Å; K167-E183 VanDerWaalsContact CD-OE2 3.23Å; K167-E183 WeakPolarHBondContact CD-OE2 2.8Å; K167-E183 VanDerWaalsContact CE-CD 3.41Å; K167-E183 WeakPolarHBondContact CE-OE2 3.46Å; K167-E183 HydrophobicContact CG-CB 4.18Å; K167-E183 IonicContact NZ-OE1 3.83Å; K167-E183 PolarHBondContact NZ-OE1 3.43Å; K167-E183 IonicContact NZ-OE2 3.03Å; K167-E183 PolarHBondContact NZ-OE2 3.45Å; K167-E183 PolarHBondContact O-N 2.87Å; F181-E183 HydrophobicContact CD1-CB 3.84Å; F181-E183 HydrophobicContact CD1-CG 4.43Å; F181-E183 HydrophobicContact CE1-CB 3.62Å; F181-E183 HydrophobicContact CE1-CG 3.79Å; F181-E183 PolarHBondContact O-N 3.09Å
184T96.3Very high86.3Confident64 Ų6444.3 Ų44.339%0.39325%0.25SC..EExtended strand (participates in β ladder)trans-144.8123.5174.5-48.80000109.8A166 K167A166-T184 CarbonylContact C-O 3.55Å; A166-T184 WeakPolarHBondContact CA-O 3.22Å; K167-T184 PolarHBondContact N-O 3.27Å; K167-T184 PolarHBondContact O-N 2.79Å; K167-T184 VanDerWaalsContact O-N 3.12Å
185I94.8Very high84.6Confident8 Ų842 Ų424%0.04123%0.234CC..  trans-120.2128.4169.1-60.4-60.9000106.4F127 A166 I168 F182 V189 I229 S231F127-I185 HydrophobicContact CD2-CD1 4.4Å; F127-I185 HydrophobicContact CE2-CD1 3.88Å; F127-I185 HydrophobicContact CZ-CD1 4.45Å; A166-I185 HydrophobicContact CB-CD1 4.03Å; I168-I185 HydrophobicContact CD1-CD1 4.23Å; I168-I185 HydrophobicContact CG1-CD1 4.34Å; F182-I185 HydrophobicContact CB-CD1 4.21Å; F182-I185 HydrophobicContact CB-CG1 3.95Å; F182-I185 HydrophobicContact CD1-CD1 3.9Å; F182-I185 HydrophobicContact CD1-CG1 4.43Å; F182-I185 HydrophobicContact CG-CD1 4.46Å; I185-V189 HydrophobicContact CG2-CG2 4.18Å; I185-I229 HydrophobicContact CD1-CG2 4.39Å; I185-I229 HydrophobicContact CG1-CG2 4.23Å; I185-S231 PolarHBondContact N-OG 2.98Å; I185-S231 PolarHBondContact O-OG 3.03Å; I185-S231 VanDerWaalsContact O-OG 3.05Å
186P93.6Very high82.7Confident7 Ų741.9 Ų41.95%0.04524%0.241CC..  trans-52.7150.3174.4-28.436.2000112.7I154 M162 E164 V189I154-P186 HydrophobicContact CD1-CG 4.15Å; M162-P186 HydrophobicContact CE-CB 4.11Å; E164-P186 HydrophobicContact CB-CB 3.67Å; E164-P186 HydrophobicContact CB-CG 3.54Å; E164-P186 WeakPolarHBondContact O-CG 3.46Å; E164-P186 WeakPolarHBondContact OE2-CA 3.05Å; E164-P186 VanDerWaalsContact OE2-CB 3.32Å; E164-P186 WeakPolarHBondContact OE2-CB 3.5Å; P186-V189 HydrophobicContact CB-CG2 3.68Å; P186-V189 HydrophobicContact CG-CG2 4.21Å; P186-V189 VanDerWaalsContact O-CG2 3.23Å; P186-V189 WeakPolarHBondContact O-CG2 3.36Å
187N87.8Confident80.9Confident145 Ų14547.1 Ų47.178%0.77527%0.268SS*.THydrogen-bonded Turntrans-73149.3172.8-70.6-30.9000110.1V189N187-V189 VanDerWaalsContact C-N 3.28Å; N187-V189 PolarHBondContact O-N 2.8Å
188G79.2Confident78.9Confident53 Ų5351.2 Ų51.255%0.54630%0.296SS..THydrogen-bonded Turntrans73.58.8177.100000116F190G188-F190 PolarHBondContact O-N 2.82Å
189V79.2Confident77Confident3 Ų355 Ų552%0.01834%0.335CS..SBendtrans-62.8-31.3171-1730000110.8F127 I154 N156 A157 M162 I185 P186 N187F127-V189 HydrophobicContact CE1-CG1 4.21Å; F127-V189 HydrophobicContact CZ-CG1 4.03Å; I154-V189 HydrophobicContact CD1-CG1 3.92Å; I154-V189 HydrophobicContact CD1-CG2 3.77Å; N156-V189 HydrophobicContact CB-CG1 4.34Å; A157-V189 PolarHBondContact N-O 3.1Å; A157-V189 VanDerWaalsContact N-O 3.16Å; M162-V189 HydrophobicContact CE-CG2 3.96Å; M162-V189 HydrophobicContact CG-CG2 4.39Å; I185-V189 HydrophobicContact CG2-CG2 4.18Å; P186-V189 HydrophobicContact CB-CG2 3.68Å; P186-V189 HydrophobicContact CG-CG2 4.21Å; P186-V189 VanDerWaalsContact O-CG2 3.23Å; P186-V189 WeakPolarHBondContact O-CG2 3.36Å; N187-V189 VanDerWaalsContact C-N 3.28Å; N187-V189 PolarHBondContact O-N 2.8Å
190F78.2Confident75.4Confident28 Ų2856.8 Ų56.812%0.12335%0.348CS..SBendtrans-130.5128.4178.3-43.3-50.5000109.9F127 G188 E192 Y203 P205 A226 I229F127-F190 HydrophobicContact CE1-CZ 4.36Å; F127-F190 HydrophobicContact CE2-CE2 4.47Å; F127-F190 AromaticContact CE2-CZ 3.87Å; F127-F190 HydrophobicContact CE2-CZ 3.87Å; F127-F190 HydrophobicContact CZ-CE1 4.18Å; F127-F190 HydrophobicContact CZ-CE2 4.24Å; F127-F190 AromaticContact CZ-CZ 3.41Å; F127-F190 HydrophobicContact CZ-CZ 3.41Å; F127-F190 VanDerWaalsContact CZ-CZ 3.41Å; G188-F190 PolarHBondContact O-N 2.82Å; F190-E192 PolarHBondContact O-N 3.27Å; F190-Y203 HydrophobicContact CD1-CD1 4.04Å; F190-Y203 HydrophobicContact CD1-CE1 4.45Å; F190-Y203 AromaticContact CE1-CD1 3.64Å; F190-Y203 HydrophobicContact CE1-CD1 3.64Å; F190-Y203 AromaticContact CE1-CE1 3.72Å; F190-Y203 HydrophobicContact CE1-CE1 3.72Å; F190-P205 HydrophobicContact CE1-CB 4.44Å; F190-P205 HydrophobicContact CE1-CG 4.23Å; F190-P205 HydrophobicContact CZ-CB 4.13Å; F190-P205 HydrophobicContact CZ-CG 3.76Å; F190-A226 HydrophobicContact CB-CB 4.26Å; F190-A226 HydrophobicContact CD1-CB 3.33Å; F190-A226 HydrophobicContact CD2-CB 3.72Å; F190-A226 WeakPolarHBondContact CD2-O 3.42Å; F190-A226 HydrophobicContact CE1-CB 3.47Å; F190-A226 VanDerWaalsContact CE1-CB 3.47Å; F190-A226 HydrophobicContact CE2-CB 3.81Å; F190-A226 WeakPolarHBondContact CE2-O 3.22Å; F190-A226 HydrophobicContact CG-CB 3.48Å; F190-A226 VanDerWaalsContact CG-CB 3.48Å; F190-A226 HydrophobicContact CZ-CB 3.68Å; F190-I229 HydrophobicContact CE2-CB 4.32Å; F190-I229 HydrophobicContact CE2-CG2 4.43Å; F190-I229 WeakPolarHBondContact CE2-O 3.33Å
191N67Low74.1Confident68 Ų6866.5 Ų66.536%0.36439%0.39SS..  trans-83.4105.3166.4-76.3-17.3000108.1T193 E194 E195N191-T193 PolarHBondContact O-N 2.84Å; N191-T193 VanDerWaalsContact O-N 3.1Å; N191-E194 HydrophobicContact CB-CB 3.96Å; N191-E194 HydrophobicContact CB-CG 3.83Å; N191-E194 PolarHBondContact ND2-OE1 3.04Å; N191-E194 PolarHBondContact O-N 2.64Å; N191-E195 PolarHBondContact O-N 2.98Å
192E61Low73Confident147 Ų14768.8 Ų68.869%0.68740%0.402SS*.Hα-helixtrans-52.9-32.7178.1-63.5-175167.300112.3F190 S196F190-E192 PolarHBondContact O-N 3.27Å; E192-S196 WeakPolarHBondContact O-CB 3.46Å; E192-S196 PolarHBondContact O-N 2.88Å; E192-S196 PolarHBondContact O-OG 2.84Å
193T58.5Low72.1Confident100 Ų10070.5 Ų70.561%0.61341%0.409SS*.Hα-helixtrans-71.1-30.5175.844.50000114.1N191 S196 L197N191-T193 PolarHBondContact O-N 2.84Å; N191-T193 VanDerWaalsContact O-N 3.1Å; T193-S196 WeakPolarHBondContact CA-OG 3.34Å; T193-S196 PolarHBondContact O-OG 3.22Å; T193-L197 WeakPolarHBondContact O-CD1 3.42Å; T193-L197 VanDerWaalsContact O-CG 3.25Å; T193-L197 WeakPolarHBondContact O-CG 3.43Å
194E56.8Low71.6Confident85 Ų8572.5 Ų72.540%0.39742%0.415SS..Hα-helixtrans-77.4-44.6179.4-74.7-178.7-147.300111.5H158 N191 S196 L197 S200H158-E194 IonicContact CE1-OE2 3.7Å; H158-E194 PolarHBondContact CE1-OE2 2.96Å; N191-E194 HydrophobicContact CB-CB 3.96Å; N191-E194 HydrophobicContact CB-CG 3.83Å; N191-E194 PolarHBondContact ND2-OE1 3.04Å; N191-E194 PolarHBondContact O-N 2.64Å; E194-S196 VanDerWaalsContact C-N 3.26Å; E194-S196 PolarHBondContact O-N 2.96Å; E194-L197 PolarHBondContact O-N 2.82Å; E194-S200 WeakPolarHBondContact O-CB 3.39Å; E194-S200 PolarHBondContact O-OG 2.91Å
195E58Low70.8Confident18 Ų1869.4 Ų69.48%0.08440%0.396CS..Hα-helixtrans-71.5-18.5179.9-73.3-173.1-165.300114N191 Y203 A226 F227N191-E195 PolarHBondContact O-N 2.98Å; E195-Y203 VanDerWaalsContact OE1-CB 3.31Å; E195-Y203 WeakPolarHBondContact OE1-CB 3.27Å; E195-A226 WeakPolarHBondContact OE1-CB 3.43Å; E195-A226 WeakPolarHBondContact OE2-CB 3.34Å; E195-A226 PolarHBondContact OE2-N 2.78Å; E195-F227 PolarHBondContact OE2-N 2.76Å
196S54.5Low70.7Confident91 Ų9169.1 Ų69.164%0.63640%0.395SS*.THydrogen-bonded Turntrans-90.1-11178.853.70000114.2E192 T193 E194E192-S196 WeakPolarHBondContact O-CB 3.46Å; E192-S196 PolarHBondContact O-N 2.88Å; E192-S196 PolarHBondContact O-OG 2.84Å; T193-S196 WeakPolarHBondContact CA-OG 3.34Å; T193-S196 PolarHBondContact O-OG 3.22Å; E194-S196 VanDerWaalsContact C-N 3.26Å; E194-S196 PolarHBondContact O-N 2.96Å
197L55Low70.6Confident111 Ų11169.2 Ų69.258%0.58140%0.395SS*.SBendtrans-76.2135.2179.3-79.1166.4000112.5T193 E194 G199 S200T193-L197 WeakPolarHBondContact O-CD1 3.42Å; T193-L197 VanDerWaalsContact O-CG 3.25Å; T193-L197 WeakPolarHBondContact O-CG 3.43Å; E194-L197 PolarHBondContact O-N 2.82Å; L197-G199 PolarHBondContact O-N 3.18Å; L197-G199 VanDerWaalsContact O-N 3.17Å; L197-S200 PolarHBondContact O-N 2.93Å; L197-S200 VanDerWaalsContact O-N 3.16Å; L197-S200 PolarHBondContact O-OG 2.86Å
198P54.9Low70.6Confident107 Ų10762.3 Ų62.370%0.69536%0.358SS*.THydrogen-bonded Turntrans-55.7121.1174.4-25.634.4000112.3
199G57.3Low71.2Confident82 Ų8261.9 Ų61.985%0.84534%0.342SS*.THydrogen-bonded Turntrans94.3-2.617800000115.7L197L197-G199 PolarHBondContact O-N 3.18Å; L197-G199 VanDerWaalsContact O-N 3.17Å
200S62.8Low71.4Confident45 Ų4562.8 Ų62.832%0.31535%0.347SS..  trans-71155.8170.774.20000112E194 L197 I202E194-S200 WeakPolarHBondContact O-CB 3.39Å; E194-S200 PolarHBondContact O-OG 2.91Å; L197-S200 PolarHBondContact O-N 2.93Å; L197-S200 VanDerWaalsContact O-N 3.16Å; L197-S200 PolarHBondContact O-OG 2.86Å; S200-I202 PolarHBondContact O-N 3.42Å
201K71.6Confident71.6Confident205 Ų20564.2 Ų64.289%0.89135%0.352SS*.  trans-85.5101174.4-71.6179.5-178.8172.80108.8Y203K201-Y203 PolarHBondContact O-N 3.04Å
202I72.3Confident71.5Confident50 Ų5062.2 Ų62.226%0.25635%0.345SS..  trans-51.5122.2172.1-57.4173.1000109.4S200 Y204 P225S200-I202 PolarHBondContact O-N 3.42Å; I202-Y204 HydrophobicContact CB-CE2 3.93Å; I202-Y204 HydrophobicContact CG2-CD1 4.29Å; I202-Y204 HydrophobicContact CG2-CD2 4.46Å; I202-Y204 HydrophobicContact CG2-CE1 3.72Å; I202-Y204 HydrophobicContact CG2-CE2 3.91Å; I202-Y204 WeakPolarHBondContact O-CD2 3.48Å; I202-Y204 WeakPolarHBondContact O-CE2 3.16Å; I202-P225 HydrophobicContact CG2-CB 3.6Å
203Y79Confident71.6Confident37 Ų3757.9 Ų57.915%0.14532%0.322CS..  trans-82.2143.2173.9-175.3-120.1000109.8Y128 A157 F190 E195 K201 P205 P225 A226Y128-Y203 WeakPolarHBondContact CB-OH 3.4Å; Y128-Y203 HydrophobicContact CD2-CE2 4.26Å; Y128-Y203 AromaticContact CD2-CZ 3.86Å; Y128-Y203 WeakPolarHBondContact CD2-OH 3.43Å; Y128-Y203 HydrophobicContact CE2-CE2 4.12Å; A157-Y203 HydrophobicContact CB-CD1 4.43Å; A157-Y203 HydrophobicContact CB-CG 4.47Å; F190-Y203 HydrophobicContact CD1-CD1 4.04Å; F190-Y203 HydrophobicContact CD1-CE1 4.45Å; F190-Y203 AromaticContact CE1-CD1 3.64Å; F190-Y203 HydrophobicContact CE1-CD1 3.64Å; F190-Y203 AromaticContact CE1-CE1 3.72Å; F190-Y203 HydrophobicContact CE1-CE1 3.72Å; E195-Y203 VanDerWaalsContact OE1-CB 3.31Å; E195-Y203 WeakPolarHBondContact OE1-CB 3.27Å; K201-Y203 PolarHBondContact O-N 3.04Å; Y203-P205 HydrophobicContact CD1-CB 4.2Å; Y203-P205 HydrophobicContact CD1-CG 4.33Å; Y203-P205 HydrophobicContact CE1-CB 3.79Å; Y203-P205 HydrophobicContact CE1-CG 4.39Å; Y203-P225 WeakPolarHBondContact O-CA 3.36Å; Y203-A226 HydrophobicContact CD1-CB 3.97Å; Y203-A226 PolarHBondContact O-N 2.93Å
204Y85.2Confident71.4Confident68 Ų6857.6 Ų57.627%0.26732%0.317SS..  trans-128.175.3-174.7-65.7-76.5000109.4Y128 I202 M206 K223 V224 P225Y128-Y204 WeakPolarHBondContact CE2-O 3.49Å; I202-Y204 HydrophobicContact CB-CE2 3.93Å; I202-Y204 HydrophobicContact CG2-CD1 4.29Å; I202-Y204 HydrophobicContact CG2-CD2 4.46Å; I202-Y204 HydrophobicContact CG2-CE1 3.72Å; I202-Y204 HydrophobicContact CG2-CE2 3.91Å; I202-Y204 WeakPolarHBondContact O-CD2 3.48Å; I202-Y204 WeakPolarHBondContact O-CE2 3.16Å; Y204-M206 PolarHBondContact O-N 2.85Å; Y204-K223 HydrophobicContact CD1-CB 3.39Å; Y204-K223 HydrophobicContact CD1-CD 4.02Å; Y204-K223 HydrophobicContact CD1-CG 4.34Å; Y204-K223 HydrophobicContact CD2-CD 3.8Å; Y204-K223 HydrophobicContact CE1-CB 3.92Å; Y204-K223 HydrophobicContact CE1-CD 4.33Å; Y204-K223 HydrophobicContact CE2-CD 4.13Å; Y204-K223 HydrophobicContact CG-CB 3.79Å; Y204-K223 HydrophobicContact CG-CD 3.72Å; Y204-K223 HydrophobicContact CG-CG 4.33Å; Y204-V224 WeakPolarHBondContact CA-O 3.32Å; Y204-P225 HydrophobicContact CD1-CB 4.12Å; Y204-P225 HydrophobicContact CE1-CB 3.92Å
205P81.1Confident71.5Confident0 Ų058.8 Ų58.80%033%0.332CS..  trans-61.4-32.4-171.224.4-35.5000112.4F127 Y128 F190 Y203 A226 I229F127-P205 CarbonylContact C-O 3.6Å; F127-P205 VanDerWaalsContact CA-O 3.26Å; F127-P205 WeakPolarHBondContact CA-O 3.42Å; F127-P205 HydrophobicContact CD1-CB 4.41Å; F127-P205 HydrophobicContact CD2-CB 4.03Å; F127-P205 HydrophobicContact CE1-CB 4.32Å; F127-P205 HydrophobicContact CE2-CB 3.97Å; F127-P205 HydrophobicContact CE2-CG 4.38Å; F127-P205 HydrophobicContact CG-CB 4.29Å; F127-P205 HydrophobicContact CZ-CB 4.14Å; Y128-P205 HydrophobicContact CD2-CB 4.47Å; Y128-P205 WeakPolarHBondContact CD2-O 3.47Å; F190-P205 HydrophobicContact CE1-CB 4.44Å; F190-P205 HydrophobicContact CE1-CG 4.23Å; F190-P205 HydrophobicContact CZ-CB 4.13Å; F190-P205 HydrophobicContact CZ-CG 3.76Å; Y203-P205 HydrophobicContact CD1-CB 4.2Å; Y203-P205 HydrophobicContact CD1-CG 4.33Å; Y203-P205 HydrophobicContact CE1-CB 3.79Å; Y203-P205 HydrophobicContact CE1-CG 4.39Å; P205-A226 HydrophobicContact CG-CB 3.9Å; P205-I229 HydrophobicContact CG-CD1 3.68Å
206M91.1Very high71.3Confident1 Ų164.9 Ų64.91%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-107.4132.3179.5-175.5-162.9161.500111.2K125 I180 F182 Y204 I208 V224 I229 F237K125-M206 VanDerWaalsContact O-CA 3.32Å; K125-M206 WeakPolarHBondContact O-CA 3.28Å; K125-M206 WeakPolarHBondContact O-CG 3.48Å; I180-M206 HydrophobicContact CD1-CE 3.34Å; I180-M206 HydrophobicContact CD1-SD 3.92Å; I180-M206 HydrophobicContact CG1-CE 4.17Å; F182-M206 HydrophobicContact CZ-SD 4.16Å; Y204-M206 PolarHBondContact O-N 2.85Å; M206-I208 HydrophobicContact CE-CD1 3.91Å; M206-I208 HydrophobicContact CE-CG1 3.83Å; M206-V224 HydrophobicContact CB-CB 4.16Å; M206-V224 HydrophobicContact CB-CG2 4.27Å; M206-V224 HydrophobicContact CE-CG2 4.44Å; M206-V224 HydrophobicContact CG-CG2 4.27Å; M206-V224 PolarHBondContact O-N 2.82Å; M206-V224 HydrophobicContact SD-CB 4.36Å; M206-V224 HydrophobicContact SD-CG2 3.6Å; M206-V224 VanDerWaalsContact SD-CG2 3.6Å; M206-I229 HydrophobicContact CB-CD1 3.93Å; M206-F237 HydrophobicContact CE-CD2 4.33Å; M206-F237 HydrophobicContact CE-CE1 4.46Å; M206-F237 HydrophobicContact CE-CE2 3.3Å; M206-F237 HydrophobicContact CE-CZ 3.37Å; M206-F237 HydrophobicContact SD-CE2 4.19Å; M206-F237 HydrophobicContact SD-CZ 4.02Å
207T91.8Very high71.5Confident9 Ų963.1 Ų63.16%0.05535%0.345CS..EExtended strand (participates in β ladder)trans-139.8141.5171.672.40000112.8K125 Q209 I222 K223K125-T207 PolarHBondContact N-O 2.93Å; K125-T207 PolarHBondContact O-N 3.22Å; T207-Q209 PolarHBondContact OG1-NE2 2.77Å; T207-Q209 VanDerWaalsContact OG1-NE2 3.09Å; T207-I222 CarbonylContact C-O 3.57Å; T207-I222 WeakPolarHBondContact CA-O 3.48Å; T207-K223 HydrophobicContact CG2-CG 4.19Å
208I89.1Confident71.8Confident0 Ų066.7 Ų66.70%036%0.356CS..EExtended strand (participates in β ladder)trans-111.1121.4166.2-55.6176.6000108F94 Y95 S123 I124 I178 M206 T221 I222 F237F94-I208 HydrophobicContact CE2-CG2 3.65Å; F94-I208 HydrophobicContact CZ-CG2 3.67Å; Y95-I208 HydrophobicContact CE2-CG2 4.13Å; S123-I208 CarbonylContact O-C 3.53Å; S123-I208 WeakPolarHBondContact O-CA 3.39Å; I124-I208 HydrophobicContact CG1-CG1 4.3Å; I124-I208 HydrophobicContact CG1-CG2 4.17Å; I124-I208 HydrophobicContact CG2-CG1 4.34Å; I178-I208 HydrophobicContact CD1-CD1 4.07Å; M206-I208 HydrophobicContact CE-CD1 3.91Å; M206-I208 HydrophobicContact CE-CG1 3.83Å; I208-T221 CarbonylContact O-C 3.56Å; I208-T221 WeakPolarHBondContact O-CA 3.38Å; I208-I222 HydrophobicContact CB-CB 4.2Å; I208-I222 PolarHBondContact N-O 3.09Å; I208-I222 PolarHBondContact O-N 2.92Å; I208-F237 HydrophobicContact CD1-CB 4.41Å; I208-F237 HydrophobicContact CD1-CD1 3.83Å; I208-F237 HydrophobicContact CD1-CD2 3.72Å; I208-F237 HydrophobicContact CD1-CE1 3.98Å; I208-F237 HydrophobicContact CD1-CE2 3.91Å; I208-F237 HydrophobicContact CD1-CG 3.7Å; I208-F237 HydrophobicContact CD1-CZ 4.02Å
209Q90.3Very high72.5Confident44 Ų4467.3 Ų67.321%0.20635%0.348CS..EExtended strand (participates in β ladder)trans-120.3137.1-174.5-54.6-165.532.300111.3G122 S123 T207 Y211 S220 T221G122-Q209 CarbonylContact C-O 3.57Å; G122-Q209 VanDerWaalsContact CA-O 3.23Å; G122-Q209 WeakPolarHBondContact CA-O 3.35Å; S123-Q209 PolarHBondContact N-O 2.68Å; S123-Q209 PolarHBondContact O-N 3.22Å; T207-Q209 PolarHBondContact OG1-NE2 2.77Å; T207-Q209 VanDerWaalsContact OG1-NE2 3.09Å; Q209-Y211 HydrophobicContact CB-CE1 3.79Å; Q209-Y211 PolarHBondContact OE1-OH 3.29Å; Q209-S220 WeakPolarHBondContact CA-O 3.22Å; Q209-T221 HydrophobicContact CG-CG2 4.01Å
210N84.2Confident73.6Confident22 Ų2264.8 Ų64.812%0.11832%0.317CS..EExtended strand (participates in β ladder)trans-108.7127.6169.3-177.35.8000110.2F94 Y95 H121 A212 S220F94-N210 HydrophobicContact CE1-CB 4.39Å; Y95-N210 VanDerWaalsContact CB-ND2 3.32Å; Y95-N210 WeakPolarHBondContact CB-ND2 3.35Å; Y95-N210 HydrophobicContact CD1-CB 3.9Å; Y95-N210 VanDerWaalsContact CD1-ND2 3.3Å; Y95-N210 WeakPolarHBondContact CD1-ND2 3.25Å; Y95-N210 HydrophobicContact CD2-CB 3.83Å; Y95-N210 HydrophobicContact CE1-CB 3.94Å; Y95-N210 HydrophobicContact CE2-CB 3.86Å; Y95-N210 HydrophobicContact CG-CB 3.84Å; Y95-N210 VanDerWaalsContact CG-ND2 3.29Å; H121-N210 PolarHBondContact O-OD1 2.86Å; N210-A212 VanDerWaalsContact OD1-CB 3.31Å; N210-A212 WeakPolarHBondContact OD1-CB 3.3Å; N210-A212 PolarHBondContact OD1-N 2.78Å; N210-S220 PolarHBondContact N-O 3Å
211Y82Confident74.8Confident58 Ų5865.1 Ų65.123%0.22732%0.317CS..  trans-114.6-9.1-179.8-54.3-45.9000113.5V120 H121 Q209 Y213 L214V120-Y211 HydrophobicContact CB-CD2 4.34Å; V120-Y211 HydrophobicContact CG1-CD2 4Å; V120-Y211 HydrophobicContact CG1-CE2 4.16Å; V120-Y211 WeakPolarHBondContact O-CB 3.23Å; V120-Y211 WeakPolarHBondContact O-CD2 3.19Å; H121-Y211 CarbonylContact O-C 3.57Å; H121-Y211 WeakPolarHBondContact O-CA 3.35Å; H121-Y211 PolarHBondContact O-N 3.25Å; Q209-Y211 HydrophobicContact CB-CE1 3.79Å; Q209-Y211 PolarHBondContact OE1-OH 3.29Å; Y211-Y213 PolarHBondContact O-N 2.91Å; Y211-L214 HydrophobicContact CD1-CD1 4.36Å; Y211-L214 PolarHBondContact O-N 3.14Å; Y211-L214 VanDerWaalsContact O-N 3.14Å
212A66Low75.7Confident26 Ų2655.5 Ų55.522%0.21528%0.275CS..THydrogen-bonded Turntrans-58.5-6.7-165.100000116.2H121 N210H121-A212 HydrophobicContact CB-CB 4.14Å; H121-A212 PolarHBondContact O-N 3.32Å; N210-A212 VanDerWaalsContact OD1-CB 3.31Å; N210-A212 WeakPolarHBondContact OD1-CB 3.3Å; N210-A212 PolarHBondContact OD1-N 2.78Å
213Y61.6Low76.6Confident56 Ų5658.1 Ų58.122%0.2229%0.285CS..THydrogen-bonded Turntrans-132.422.7-175.6-55.5-64.9000114.4V97 Y211 Y217 I277V97-Y213 WeakPolarHBondContact CG2-OH 3.37Å; Y211-Y213 PolarHBondContact O-N 2.91Å; Y213-Y217 VanDerWaalsContact CB-CG 3.45Å; Y213-Y217 HydrophobicContact CG-CG 4.41Å; Y213-Y217 WeakPolarHBondContact O-CB 3.12Å; Y213-Y217 WeakPolarHBondContact O-CD2 3.25Å; Y213-Y217 PolarHBondContact O-N 2.96Å; Y213-I277 HydrophobicContact CE2-CG2 4.38Å; Y213-I277 WeakPolarHBondContact OH-CA 3.5Å; Y213-I277 VanDerWaalsContact OH-CB 3.28Å; Y213-I277 WeakPolarHBondContact OH-CB 3.22Å; Y213-I277 WeakPolarHBondContact OH-CG2 3.42Å
214L55.6Low77.2Confident95 Ų9556.4 Ų56.450%0.49728%0.278SS..THydrogen-bonded Turntrans-63.8151.4170-76.2163.5000112Y211 K219Y211-L214 HydrophobicContact CD1-CD1 4.36Å; Y211-L214 PolarHBondContact O-N 3.14Å; Y211-L214 VanDerWaalsContact O-N 3.14Å; L214-K219 HydrophobicContact CD2-CG 4.22Å
215P58.2Low77.4Confident110 Ų11053.9 Ų53.971%0.71427%0.27SS*.THydrogen-bonded Turncis-86.8-14.6-2.234.1-35.1000114.4Y217P215-Y217 PolarHBondContact O-N 3.48Å
216N54.3Low77.7Confident145 Ų14553.9 Ų53.978%0.77527%0.27SS*.THydrogen-bonded Turntrans-83.1-5.1-163.2-70.6-24.1000115.7
217Y58.3Low77.5Confident54 Ų5458.2 Ų58.221%0.21229%0.289CS..SBendtrans-114.1141.9-175.7-69.7-113.1000110.8Y213 P215 K219 T274 G279 K280Y213-Y217 VanDerWaalsContact CB-CG 3.45Å; Y213-Y217 HydrophobicContact CG-CG 4.41Å; Y213-Y217 WeakPolarHBondContact O-CB 3.12Å; Y213-Y217 WeakPolarHBondContact O-CD2 3.25Å; Y213-Y217 PolarHBondContact O-N 2.96Å; P215-Y217 PolarHBondContact O-N 3.48Å; Y217-K219 PolarHBondContact O-N 2.94Å; Y217-T274 WeakPolarHBondContact CE1-O 3.34Å; Y217-G279 WeakPolarHBondContact OH-CA 3.49Å; Y217-G279 PolarHBondContact OH-O 3.21Å; Y217-K280 PolarHBondContact OH-N 3.09Å
218K61Low77.4Confident186 Ų18658.3 Ų58.381%0.80929%0.289SS*.PPolyproline II helixtrans-58.6121.2174.1-69.8-177176.9-179.50109.1S220K218-S220 PolarHBondContact O-N 3.36Å; K218-S220 VanDerWaalsContact O-N 3.1Å
219K70.1Confident77.5Confident121 Ų12158.5 Ų58.553%0.52629%0.29SS..PPolyproline II helixtrans-52.3118.6168.6-67.8-176.1179.2-1750108.2L214 Y217L214-K219 HydrophobicContact CD2-CG 4.22Å; Y217-K219 PolarHBondContact O-N 2.94Å
220S80.2Confident77.6Confident29 Ų2960.7 Ų60.720%0.20330%0.299CS..EExtended strand (participates in β ladder)trans-81.8121.9168.2-167.40000107.3Y95 Q209 N210 K218Y95-S220 WeakPolarHBondContact CE1-OG 3.15Å; Y95-S220 PolarHBondContact OH-OG 2.82Å; Q209-S220 WeakPolarHBondContact CA-O 3.22Å; N210-S220 PolarHBondContact N-O 3Å; K218-S220 PolarHBondContact O-N 3.36Å; K218-S220 VanDerWaalsContact O-N 3.1Å
221T87.9Confident78.1Confident51 Ų5161.4 Ų61.431%0.31331%0.306SS..EExtended strand (participates in β ladder)trans-130.4111178.6-59.40000108.7I208 Q209 K223I208-T221 CarbonylContact O-C 3.56Å; I208-T221 WeakPolarHBondContact O-CA 3.38Å; Q209-T221 HydrophobicContact CG-CG2 4.01Å; T221-K223 HydrophobicContact CG2-CD 4.48Å; T221-K223 HydrophobicContact CG2-CG 3.7Å
222I90.4Very high78.8Confident3 Ų361.9 Ų61.92%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-82.7127.8165.7-57.8172.7000106.3H53 Y56 T207 I208 F237H53-I222 HydrophobicContact CB-CD1 4Å; H53-I222 HydrophobicContact CB-CG1 3.9Å; Y56-I222 HydrophobicContact CD2-CD1 3.94Å; Y56-I222 HydrophobicContact CG-CD1 4.08Å; T207-I222 CarbonylContact C-O 3.57Å; T207-I222 WeakPolarHBondContact CA-O 3.48Å; I208-I222 HydrophobicContact CB-CB 4.2Å; I208-I222 PolarHBondContact N-O 3.09Å; I208-I222 PolarHBondContact O-N 2.92Å; I222-F237 HydrophobicContact CD1-CD1 4.28Å; I222-F237 HydrophobicContact CG2-CD1 4.27Å; I222-F237 HydrophobicContact CG2-CE1 3.7Å
223K91.3Very high80.2Confident105 Ų10560.6 Ų60.646%0.45730%0.302SS..EExtended strand (participates in β ladder)trans-120135.6175.5-54.7-172.1-178.4179.50109Y204 T207 T221Y204-K223 HydrophobicContact CD1-CB 3.39Å; Y204-K223 HydrophobicContact CD1-CD 4.02Å; Y204-K223 HydrophobicContact CD1-CG 4.34Å; Y204-K223 HydrophobicContact CD2-CD 3.8Å; Y204-K223 HydrophobicContact CE1-CB 3.92Å; Y204-K223 HydrophobicContact CE1-CD 4.33Å; Y204-K223 HydrophobicContact CE2-CD 4.13Å; Y204-K223 HydrophobicContact CG-CB 3.79Å; Y204-K223 HydrophobicContact CG-CD 3.72Å; Y204-K223 HydrophobicContact CG-CG 4.33Å; T207-K223 HydrophobicContact CG2-CG 4.19Å; T221-K223 HydrophobicContact CG2-CD 4.48Å; T221-K223 HydrophobicContact CG2-CG 3.7Å
224V91.1Very high81.8Confident1 Ų159.2 Ų59.21%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-105.4121170.1-1690000107.8Y204 M206 L228 I229 I235 F237Y204-V224 WeakPolarHBondContact CA-O 3.32Å; M206-V224 HydrophobicContact CB-CB 4.16Å; M206-V224 HydrophobicContact CB-CG2 4.27Å; M206-V224 HydrophobicContact CE-CG2 4.44Å; M206-V224 HydrophobicContact CG-CG2 4.27Å; M206-V224 PolarHBondContact O-N 2.82Å; M206-V224 HydrophobicContact SD-CB 4.36Å; M206-V224 HydrophobicContact SD-CG2 3.6Å; M206-V224 VanDerWaalsContact SD-CG2 3.6Å; V224-L228 HydrophobicContact CG1-CB 4.17Å; V224-I229 HydrophobicContact CB-CD1 3.98Å; V224-I229 HydrophobicContact CG1-CD1 3.79Å; V224-I229 HydrophobicContact CG1-CG1 4.01Å; V224-I235 HydrophobicContact CG1-CD1 3.77Å; V224-I235 HydrophobicContact CG2-CD1 4.32Å; V224-F237 HydrophobicContact CG2-CZ 3.98Å
225P88.9Confident83.7Confident16 Ų1654.7 Ų54.710%0.10427%0.273CS..  trans-69.5152.3177.631.9-37.3000110.8I202 Y203 Y204 F227 L228I202-P225 HydrophobicContact CG2-CB 3.6Å; Y203-P225 WeakPolarHBondContact O-CA 3.36Å; Y204-P225 HydrophobicContact CD1-CB 4.12Å; Y204-P225 HydrophobicContact CE1-CB 3.92Å; P225-F227 HydrophobicContact CB-CD1 3.79Å; P225-F227 HydrophobicContact CB-CE1 3.45Å; P225-F227 VanDerWaalsContact CB-CE1 3.45Å; P225-F227 HydrophobicContact CB-CZ 4.17Å; P225-F227 HydrophobicContact CG-CD1 4.16Å; P225-F227 HydrophobicContact CG-CE1 3.57Å; P225-F227 HydrophobicContact CG-CE2 4.48Å; P225-F227 HydrophobicContact CG-CZ 3.75Å; P225-F227 PolarHBondContact O-N 2.78Å; P225-L228 HydrophobicContact CG-CD1 3.58Å; P225-L228 HydrophobicContact CG-CG 3.94Å; P225-L228 PolarHBondContact O-N 2.85Å; P225-L228 VanDerWaalsContact O-N 3.15Å
226A88.2Confident85.6Confident0 Ų051.1 Ų51.10%025%0.247CC..G310 helixtrans-68.5-36.4-166.500000113.4F190 E195 Y203 P205 L228 I229F190-A226 HydrophobicContact CB-CB 4.26Å; F190-A226 HydrophobicContact CD1-CB 3.33Å; F190-A226 HydrophobicContact CD2-CB 3.72Å; F190-A226 WeakPolarHBondContact CD2-O 3.42Å; F190-A226 HydrophobicContact CE1-CB 3.47Å; F190-A226 VanDerWaalsContact CE1-CB 3.47Å; F190-A226 HydrophobicContact CE2-CB 3.81Å; F190-A226 WeakPolarHBondContact CE2-O 3.22Å; F190-A226 HydrophobicContact CG-CB 3.48Å; F190-A226 VanDerWaalsContact CG-CB 3.48Å; F190-A226 HydrophobicContact CZ-CB 3.68Å; E195-A226 WeakPolarHBondContact OE1-CB 3.43Å; E195-A226 WeakPolarHBondContact OE2-CB 3.34Å; E195-A226 PolarHBondContact OE2-N 2.78Å; Y203-A226 HydrophobicContact CD1-CB 3.97Å; Y203-A226 PolarHBondContact O-N 2.93Å; P205-A226 HydrophobicContact CG-CB 3.9Å; A226-L228 PolarHBondContact O-N 2.82Å; A226-I229 PolarHBondContact O-N 2.89Å
227F86.1Confident87.5Confident91 Ų9144.2 Ų44.240%0.39921%0.21SC..G310 helixtrans-58.1-13.2173.471.6-96.3000115.2E195 P225E195-F227 PolarHBondContact OE2-N 2.76Å; P225-F227 HydrophobicContact CB-CD1 3.79Å; P225-F227 HydrophobicContact CB-CE1 3.45Å; P225-F227 VanDerWaalsContact CB-CE1 3.45Å; P225-F227 HydrophobicContact CB-CZ 4.17Å; P225-F227 HydrophobicContact CG-CD1 4.16Å; P225-F227 HydrophobicContact CG-CE1 3.57Å; P225-F227 HydrophobicContact CG-CE2 4.48Å; P225-F227 HydrophobicContact CG-CZ 3.75Å; P225-F227 PolarHBondContact O-N 2.78Å
228L90.1Very high89.3Confident11 Ų1144.4 Ų44.46%0.05821%0.214CC..G310 helixtrans-94.54.2173-61177.2000113.4K49 I60 F62 V224 P225 A226K49-L228 HydrophobicContact CD-CD1 4.43Å; K49-L228 HydrophobicContact CD-CD2 4.19Å; I60-L228 HydrophobicContact CD1-CB 4.15Å; I60-L228 HydrophobicContact CD1-CD1 3.59Å; I60-L228 HydrophobicContact CD1-CG 4.34Å; F62-L228 HydrophobicContact CZ-CD2 3.98Å; V224-L228 HydrophobicContact CG1-CB 4.17Å; P225-L228 HydrophobicContact CG-CD1 3.58Å; P225-L228 HydrophobicContact CG-CG 3.94Å; P225-L228 PolarHBondContact O-N 2.85Å; P225-L228 VanDerWaalsContact O-N 3.15Å; A226-L228 PolarHBondContact O-N 2.82Å
229I91.4Very high90.7Very high4 Ų437.2 Ų37.22%0.02119%0.187CC..  trans-122.5103.2-176.1-67163000109.7F127 F182 I185 F190 P205 M206 V224 A226 I235F127-I229 HydrophobicContact CE2-CG2 3.99Å; F182-I229 HydrophobicContact CD1-CG2 3.71Å; F182-I229 HydrophobicContact CD2-CG1 4.46Å; F182-I229 HydrophobicContact CD2-CG2 4Å; F182-I229 HydrophobicContact CE1-CG2 3.76Å; F182-I229 HydrophobicContact CE2-CD1 4.36Å; F182-I229 HydrophobicContact CE2-CG1 3.92Å; F182-I229 HydrophobicContact CE2-CG2 4.06Å; F182-I229 HydrophobicContact CG-CG2 3.81Å; F182-I229 HydrophobicContact CZ-CD1 3.97Å; F182-I229 HydrophobicContact CZ-CG1 4Å; F182-I229 HydrophobicContact CZ-CG2 3.93Å; I185-I229 HydrophobicContact CD1-CG2 4.39Å; I185-I229 HydrophobicContact CG1-CG2 4.23Å; F190-I229 HydrophobicContact CE2-CB 4.32Å; F190-I229 HydrophobicContact CE2-CG2 4.43Å; F190-I229 WeakPolarHBondContact CE2-O 3.33Å; P205-I229 HydrophobicContact CG-CD1 3.68Å; M206-I229 HydrophobicContact CB-CD1 3.93Å; V224-I229 HydrophobicContact CB-CD1 3.98Å; V224-I229 HydrophobicContact CG1-CD1 3.79Å; V224-I229 HydrophobicContact CG1-CG1 4.01Å; A226-I229 PolarHBondContact O-N 2.89Å; I229-I235 HydrophobicContact CG1-CD1 4.28Å
230K92.7Very high91.5Very high91 Ų9132.6 Ų32.640%0.39617%0.167SC..  trans-132.7168.5173.759.4-175.9175.3-1690110.8F62 T233F62-K230 HydrophobicContact CD1-CG 4.44Å; K230-T233 VanDerWaalsContact CG-OG1 3.27Å; K230-T233 WeakPolarHBondContact CG-OG1 3.43Å; K230-T233 PolarHBondContact N-OG1 3.01Å; K230-T233 WeakPolarHBondContact O-CB 3.34Å; K230-T233 PolarHBondContact O-N 2.96Å; K230-T233 VanDerWaalsContact O-N 3.12Å; K230-T233 PolarHBondContact O-OG1 2.76Å
231S95.5Very high91.8Very high36 Ų3638 Ų3825%0.25218%0.184SC..THydrogen-bonded Turntrans-49.1141.4170.8-64.20000111.8F182 I185 T233F182-S231 CarbonylContact O-C 3.57Å; I185-S231 PolarHBondContact N-OG 2.98Å; I185-S231 PolarHBondContact O-OG 3.03Å; I185-S231 VanDerWaalsContact O-OG 3.05Å; S231-T233 VanDerWaalsContact C-N 3.26Å; S231-T233 PolarHBondContact O-N 2.83Å
232N95.5Very high91.8Very high68 Ų6836 Ų3636%0.36417%0.171SC..THydrogen-bonded Turntrans60.426.8-174.5-53.8-57000114.9N63 Q64 F182N63-N232 PolarHBondContact N-O 3Å; Q64-N232 PolarHBondContact N-O 3.38Å; F182-N232 PolarHBondContact O-N 3.43Å
233T95Very high91.8Very high0 Ų035.9 Ų35.90%017%0.17CC..EExtended strand (participates in β ladder)trans-90.6131.1170.4-54.70000110.8I60 F62 F181 F182 K230 S231 I235I60-T233 HydrophobicContact CG2-CG2 3.88Å; F62-T233 HydrophobicContact CD1-CG2 3.96Å; F62-T233 HydrophobicContact CE1-CG2 4.04Å; F181-T233 WeakPolarHBondContact CD2-O 3.31Å; F182-T233 HydrophobicContact CD2-CG2 4.42Å; F182-T233 PolarHBondContact N-O 2.82Å; K230-T233 VanDerWaalsContact CG-OG1 3.27Å; K230-T233 WeakPolarHBondContact CG-OG1 3.43Å; K230-T233 PolarHBondContact N-OG1 3.01Å; K230-T233 WeakPolarHBondContact O-CB 3.34Å; K230-T233 PolarHBondContact O-N 2.96Å; K230-T233 VanDerWaalsContact O-N 3.12Å; K230-T233 PolarHBondContact O-OG1 2.76Å; S231-T233 VanDerWaalsContact C-N 3.26Å; S231-T233 PolarHBondContact O-N 2.83Å; T233-I235 HydrophobicContact CG2-CG1 4.07Å
234F96.3Very high91.7Very high26 Ų2631.2 Ų31.211%0.11415%0.151CC..EExtended strand (participates in β ladder)trans-110.8130.9171.9179.7-99.7000109.6I60 K61 Q64 I180 F181 E236I60-F234 CarbonylContact C-O 3.59Å; I60-F234 WeakPolarHBondContact CA-O 3.22Å; K61-F234 HydrophobicContact CB-CB 4.41Å; K61-F234 HydrophobicContact CD-CD1 4.13Å; K61-F234 HydrophobicContact CG-CD1 4.42Å; K61-F234 PolarHBondContact N-O 3.38Å; K61-F234 PolarHBondContact O-N 2.86Å; Q64-F234 HydrophobicContact CB-CB 4.19Å; Q64-F234 HydrophobicContact CG-CB 3.83Å; I180-F234 CarbonylContact O-C 3.58Å; I180-F234 WeakPolarHBondContact O-CA 3.3Å; F181-F234 HydrophobicContact CB-CD2 4.26Å; F181-F234 HydrophobicContact CD2-CB 4.06Å; F181-F234 HydrophobicContact CD2-CD2 4.3Å; F234-E236 HydrophobicContact CE1-CB 3.76Å; F234-E236 HydrophobicContact CZ-CB 4.23Å
235I96.2Very high91.7Very high0 Ų034 Ų340%017%0.165CC..EExtended strand (participates in β ladder)trans-125.1124.6174.8-48.9-171.3000109.2Q58 L59 I60 S179 I180 F182 V224 I229 T233 F237Q58-I235 HydrophobicContact CG-CG2 3.8Å; L59-I235 CarbonylContact O-C 3.55Å; L59-I235 WeakPolarHBondContact O-CA 3.49Å; I60-I235 HydrophobicContact CG1-CD1 4.23Å; I60-I235 HydrophobicContact CG1-CG1 4.19Å; I60-I235 HydrophobicContact CG1-CG2 4.04Å; I60-I235 HydrophobicContact CG2-CG1 4.25Å; S179-I235 CarbonylContact C-O 3.6Å; S179-I235 WeakPolarHBondContact CA-O 3.32Å; I180-I235 PolarHBondContact N-O 3.35Å; I180-I235 PolarHBondContact O-N 3.41Å; F182-I235 HydrophobicContact CE2-CD1 3.71Å; F182-I235 HydrophobicContact CE2-CG1 3.98Å; V224-I235 HydrophobicContact CG1-CD1 3.77Å; V224-I235 HydrophobicContact CG2-CD1 4.32Å; I229-I235 HydrophobicContact CG1-CD1 4.28Å; T233-I235 HydrophobicContact CG2-CG1 4.07Å; I235-F237 HydrophobicContact CB-CE2 4.13Å; I235-F237 HydrophobicContact CB-CZ 4.47Å; I235-F237 HydrophobicContact CG2-CD2 4.24Å; I235-F237 HydrophobicContact CG2-CE1 4.24Å; I235-F237 HydrophobicContact CG2-CE2 3.4Å; I235-F237 VanDerWaalsContact CG2-CE2 3.4Å; I235-F237 HydrophobicContact CG2-CZ 3.42Å; I235-F237 VanDerWaalsContact CG2-CZ 3.42Å
236E96.6Very high91.9Very high36 Ų3634.7 Ų34.717%0.16817%0.168CC..EExtended strand (participates in β ladder)trans-113.9132175.2-170.3175.7-170.200110.4Q58 L59 N177 I178 F234 I238Q58-E236 CarbonylContact C-O 3.56Å; Q58-E236 WeakPolarHBondContact CA-O 3.46Å; L59-E236 HydrophobicContact CB-CB 4.45Å; L59-E236 PolarHBondContact N-O 3.41Å; L59-E236 PolarHBondContact O-N 3.26Å; N177-E236 PolarHBondContact ND2-OE1 3.47Å; I178-E236 CarbonylContact O-C 3.58Å; I178-E236 WeakPolarHBondContact O-CA 3.08Å; F234-E236 HydrophobicContact CE1-CB 3.76Å; F234-E236 HydrophobicContact CZ-CB 4.23Å; E236-I238 HydrophobicContact CG-CG1 3.9Å
237F95.9Very high92.1Very high0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans-110.5105.4171.6-53.4-96.5000107.4Y56 I57 Q58 N177 I178 M206 I208 I222 V224 I235Y56-F237 HydrophobicContact CD1-CB 3.73Å; Y56-F237 HydrophobicContact CE1-CB 4.37Å; Y56-F237 HydrophobicContact CG-CB 4.38Å; I57-F237 CarbonylContact O-C 3.55Å; I57-F237 WeakPolarHBondContact O-CA 3.47Å; Q58-F237 HydrophobicContact CB-CD1 3.83Å; Q58-F237 HydrophobicContact CB-CE1 3.82Å; Q58-F237 HydrophobicContact CG-CD1 4.01Å; Q58-F237 HydrophobicContact CG-CE1 3.55Å; Q58-F237 HydrophobicContact CG-CZ 4.07Å; N177-F237 WeakPolarHBondContact CA-O 3.46Å; I178-F237 HydrophobicContact CB-CB 4.23Å; I178-F237 HydrophobicContact CB-CD2 4.29Å; I178-F237 HydrophobicContact CG2-CD2 4.32Å; I178-F237 PolarHBondContact N-O 3.17Å; I178-F237 PolarHBondContact O-N 3.16Å; M206-F237 HydrophobicContact CE-CD2 4.33Å; M206-F237 HydrophobicContact CE-CE1 4.46Å; M206-F237 HydrophobicContact CE-CE2 3.3Å; M206-F237 HydrophobicContact CE-CZ 3.37Å; M206-F237 HydrophobicContact SD-CE2 4.19Å; M206-F237 HydrophobicContact SD-CZ 4.02Å; I208-F237 HydrophobicContact CD1-CB 4.41Å; I208-F237 HydrophobicContact CD1-CD1 3.83Å; I208-F237 HydrophobicContact CD1-CD2 3.72Å; I208-F237 HydrophobicContact CD1-CE1 3.98Å; I208-F237 HydrophobicContact CD1-CE2 3.91Å; I208-F237 HydrophobicContact CD1-CG 3.7Å; I208-F237 HydrophobicContact CD1-CZ 4.02Å; I222-F237 HydrophobicContact CD1-CD1 4.28Å; I222-F237 HydrophobicContact CG2-CD1 4.27Å; I222-F237 HydrophobicContact CG2-CE1 3.7Å; V224-F237 HydrophobicContact CG2-CZ 3.98Å; I235-F237 HydrophobicContact CB-CE2 4.13Å; I235-F237 HydrophobicContact CB-CZ 4.47Å; I235-F237 HydrophobicContact CG2-CD2 4.24Å; I235-F237 HydrophobicContact CG2-CE1 4.24Å; I235-F237 HydrophobicContact CG2-CE2 3.4Å; I235-F237 VanDerWaalsContact CG2-CE2 3.4Å; I235-F237 HydrophobicContact CG2-CZ 3.42Å; I235-F237 VanDerWaalsContact CG2-CZ 3.42Å
238I94.4Very high92.5Very high57 Ų5737.3 Ų37.329%0.29219%0.192SC..EExtended strand (participates in β ladder)trans-92124.1178.3-54173.3000106.7Y56 I57 E236 D240Y56-I238 CarbonylContact C-O 3.46Å; Y56-I238 WeakPolarHBondContact CA-O 3.39Å; I57-I238 PolarHBondContact N-O 3.24Å; I57-I238 PolarHBondContact O-N 3.37Å; E236-I238 HydrophobicContact CG-CG1 3.9Å; I238-D240 PolarHBondContact O-N 3.42Å
239P91.2Very high92.7Very high36 Ų3637.5 Ų37.523%0.23419%0.194CC..EExtended strand (participates in β ladder)trans-55.6126.2173.6-23.132.6000109.9Y56 G176 N177Y56-P239 HydrophobicContact CD1-CG 4.39Å; Y56-P239 HydrophobicContact CE1-CB 4.26Å; Y56-P239 HydrophobicContact CE1-CG 3.83Å; G176-P239 WeakPolarHBondContact O-CG 3.36Å; N177-P239 VanDerWaalsContact OD1-CD 3.23Å; N177-P239 WeakPolarHBondContact OD1-CD 3.41Å
240D87.1Confident92.9Very high23 Ų2342.9 Ų42.912%0.12322%0.224CC..PPolyproline II helixtrans-72.5162.2168-158.6-4.9000108.9K52 N55 I57 I238 I242 A259K52-D240 WeakPolarHBondContact CE-OD2 3.42Å; K52-D240 IonicContact NZ-OD2 3.57Å; K52-D240 PolarHBondContact NZ-OD2 3.47Å; N55-D240 PolarHBondContact O-N 3.18Å; I57-D240 HydrophobicContact CG1-CB 4.43Å; I238-D240 PolarHBondContact O-N 3.42Å; D240-I242 PolarHBondContact O-N 3.18Å; D240-A259 WeakPolarHBondContact OD2-CB 3.35Å
241R86.4Confident93Very high144 Ų14441.2 Ų41.254%0.54322%0.219SC..PPolyproline II helixtrans-60.7126.4169.5-69.5-174.1176.1-167.1-0.2108.7A257 F258R241-A257 WeakPolarHBondContact CD-O 3.46Å; R241-F258 HydrophobicContact CB-CD1 3.76Å; R241-F258 HydrophobicContact CB-CE1 3.82Å; R241-F258 WeakPolarHBondContact O-CD1 3.39Å
242I86.9Confident93Very high9 Ų939.6 Ų39.65%0.04621%0.208CC..  trans-106.9149.3177.857.2178.9000110.7N55 D240 S244 D245 Q246N55-I242 HydrophobicContact CB-CG2 4.14Å; D240-I242 PolarHBondContact O-N 3.18Å; I242-S244 VanDerWaalsContact C-N 3.32Å; I242-S244 WeakPolarHBondContact CD1-OG 3.44Å; I242-S244 PolarHBondContact O-N 2.69Å; I242-D245 HydrophobicContact CG1-CB 4.08Å; I242-D245 VanDerWaalsContact CG1-CG 3.45Å; I242-D245 VanDerWaalsContact CG1-OD2 3.27Å; I242-D245 WeakPolarHBondContact CG1-OD2 3.35Å; I242-D245 PolarHBondContact O-N 3.4Å; I242-Q246 PolarHBondContact O-NE2 2.99Å
243C90.5Very high92.9Very high0 Ų038.6 Ų38.60%020%0.202CC..G310 helixtrans-60.1-42.9179.2-54.90000111.4D245 Q246 C262 C271 T272 N273C243-D245 PolarHBondContact O-N 3.1Å; C243-Q246 WeakPolarHBondContact O-CG 3.46Å; C243-Q246 PolarHBondContact O-N 3.28Å; C243-C262 WeakPolarHBondContact CA-SG 3.27Å; C243-C262 HydrophobicContact CB-CB 3.77Å; C243-C262 WeakPolarHBondContact CB-SG 3.37Å; C243-C262 WeakPolarHBondContact SG-CA 3.46Å; C243-C262 WeakPolarHBondContact SG-CB 3.23Å; C243-C262 CovalentContact SG-SG 2.03Å; C243-C262 PolarHBondContact SG-SG 3.36Å; C243-C271 CarbonylContact C-O 3.58Å; C243-C271 WeakPolarHBondContact O-CB 3.27Å; C243-C271 PolarHBondContact O-SG 2.99Å; C243-T272 VanDerWaalsContact CB-C 3.41Å; C243-N273 HydrophobicContact CB-CB 4.45Å
244S90.2Very high92.7Very high7 Ų743.3 Ų43.35%0.04922%0.22CC..G310 helixtrans-64.2-9.6-178.858.90000115.9I242 C271 Y278I242-S244 VanDerWaalsContact C-N 3.32Å; I242-S244 WeakPolarHBondContact CD1-OG 3.44Å; I242-S244 PolarHBondContact O-N 2.69Å; S244-C271 WeakPolarHBondContact CA-O 3.37Å; S244-Y278 WeakPolarHBondContact O-CE2 3.31Å
245D90.3Very high92.2Very high58 Ų5848 Ų4831%0.3125%0.252SS..G310 helixtrans-78.4-21170.1-77.8-22.9000112.6K93 I242 C243 T247K93-D245 WeakPolarHBondContact CE-OD1 3.42Å; K93-D245 IonicContact NZ-OD1 3.71Å; K93-D245 PolarHBondContact NZ-OD1 2.89Å; K93-D245 IonicContact NZ-OD2 2.72Å; K93-D245 PolarHBondContact NZ-OD2 2.88Å; I242-D245 HydrophobicContact CG1-CB 4.08Å; I242-D245 VanDerWaalsContact CG1-CG 3.45Å; I242-D245 VanDerWaalsContact CG1-OD2 3.27Å; I242-D245 WeakPolarHBondContact CG1-OD2 3.35Å; I242-D245 PolarHBondContact O-N 3.4Å; C243-D245 PolarHBondContact O-N 3.1Å; D245-T247 PolarHBondContact O-N 3.21Å
246Q93.7Very high91.6Very high32 Ų3251.9 Ų51.915%0.1529%0.293CS..  trans-82.4120-172.8-45.5-45.1-61.400111.3I242 C243 D251 C252 F258 C271I242-Q246 PolarHBondContact O-NE2 2.99Å; C243-Q246 WeakPolarHBondContact O-CG 3.46Å; C243-Q246 PolarHBondContact O-N 3.28Å; Q246-D251 HydrophobicContact CB-CB 4.31Å; Q246-D251 HydrophobicContact CG-CB 4.45Å; Q246-C252 HydrophobicContact CB-CB 4.17Å; Q246-F258 VanDerWaalsContact CD-CZ 3.47Å; Q246-F258 HydrophobicContact CG-CE1 3.88Å; Q246-F258 HydrophobicContact CG-CE2 4.3Å; Q246-F258 HydrophobicContact CG-CZ 3.38Å; Q246-C271 HydrophobicContact CB-CB 3.82Å
247T92.8Very high91Very high108 Ų10850.9 Ų50.966%0.66329%0.291SS*.  trans-93.5-6.2178.2540000113.3D245D245-T247 PolarHBondContact O-N 3.21Å
248S94.5Very high90.3Very high37 Ų3752.3 Ų52.326%0.25930%0.297SS..SBendtrans-122.8149.4-179.896.70000111.1N250 D251 C252S248-N250 PolarHBondContact OG-N 3.15Å; S248-D251 WeakPolarHBondContact OG-CB 3.49Å; S248-D251 PolarHBondContact OG-N 3.07Å; S248-D251 PolarHBondContact OG-OD2 2.99Å; S248-C252 VanDerWaalsContact O-CB 3.3Å; S248-C252 WeakPolarHBondContact O-CB 3.4Å; S248-C252 PolarHBondContact O-N 3.33Å; S248-C252 VanDerWaalsContact O-N 3.1Å
249C94.6Very high89.5Confident15 Ų1552.1 Ų52.110%0.10130%0.304CS..Hα-helixtrans-62.6-43.5174.1179.70000111.7D251 C252 L253 W264 C295C249-D251 PolarHBondContact O-N 2.77Å; C249-C252 WeakPolarHBondContact O-CB 3.38Å; C249-C252 PolarHBondContact O-N 2.98Å; C249-C252 VanDerWaalsContact O-N 3.17Å; C249-L253 PolarHBondContact O-N 2.92Å; C249-W264 HydrophobicContact CB-CD2 3.72Å; C249-W264 HydrophobicContact CB-CE3 4.38Å; C249-W264 HydrophobicContact CB-CG 3.76Å; C249-W264 HydrophobicContact CB-CZ2 4.25Å; C249-W264 VanDerWaalsContact SG-CD1 3.53Å; C249-C295 HydrophobicContact CB-CB 3.75Å; C249-C295 WeakPolarHBondContact CB-SG 3.36Å; C249-C295 WeakPolarHBondContact SG-CA 3.34Å; C249-C295 WeakPolarHBondContact SG-CB 2.92Å; C249-C295 CovalentContact SG-SG 2.04Å; C249-C295 PolarHBondContact SG-SG 2.92Å
250N94.6Very high89.1Confident118 Ų11852.2 Ų52.263%0.63130%0.304SS*.Hα-helixtrans-62.2-42.3-177.5-68.9-10.6000111.6S248 R254 C295S248-N250 PolarHBondContact OG-N 3.15Å; N250-R254 WeakPolarHBondContact O-CB 3.42Å; N250-R254 PolarHBondContact O-N 2.83Å; N250-R254 VanDerWaalsContact O-N 3.08Å; N250-C295 PolarHBondContact N-SG 2.82Å; N250-C295 VanDerWaalsContact OD1-CB 3.32Å; N250-C295 WeakPolarHBondContact OD1-CB 3.23Å; N250-C295 PolarHBondContact OD1-SG 2.9Å
251D94.7Very high89.1Confident56 Ų5658.4 Ų58.430%0.29933%0.33SS..Hα-helixtrans-71.1-34.1176.4-70.7-68.1000112.4Q246 S248 C249 R254 F258Q246-D251 HydrophobicContact CB-CB 4.31Å; Q246-D251 HydrophobicContact CG-CB 4.45Å; S248-D251 WeakPolarHBondContact OG-CB 3.49Å; S248-D251 PolarHBondContact OG-N 3.07Å; S248-D251 PolarHBondContact OG-OD2 2.99Å; C249-D251 PolarHBondContact O-N 2.77Å; D251-R254 IonicContact OD1-CZ 3.29Å; D251-R254 VanDerWaalsContact OD1-CZ 3.29Å; D251-R254 IonicContact OD1-NH1 2.91Å; D251-R254 PolarHBondContact OD1-NH1 3.07Å; D251-R254 IonicContact OD1-NH2 3Å; D251-R254 PolarHBondContact OD1-NH2 2.86Å; D251-F258 VanDerWaalsContact O-CE2 3.22Å; D251-F258 WeakPolarHBondContact O-CE2 3.48Å; D251-F258 WeakPolarHBondContact O-CZ 3.48Å
252C95Very high89.3Confident2 Ų252.1 Ų52.11%0.01431%0.308CS..Hα-helixtrans-64.6-44.5176.1-174.80000113.2Q246 S248 C249 F258 C262 Y263 W264 C271Q246-C252 HydrophobicContact CB-CB 4.17Å; S248-C252 VanDerWaalsContact O-CB 3.3Å; S248-C252 WeakPolarHBondContact O-CB 3.4Å; S248-C252 PolarHBondContact O-N 3.33Å; S248-C252 VanDerWaalsContact O-N 3.1Å; C249-C252 WeakPolarHBondContact O-CB 3.38Å; C249-C252 PolarHBondContact O-N 2.98Å; C249-C252 VanDerWaalsContact O-N 3.17Å; C252-F258 WeakPolarHBondContact O-CE2 3.01Å; C252-C262 WeakPolarHBondContact O-CB 3.2Å; C252-Y263 VanDerWaalsContact SG-C 3.55Å; C252-W264 HydrophobicContact CB-CB 4.41Å; C252-W264 HydrophobicContact CB-CE3 3.88Å; C252-C271 WeakPolarHBondContact CA-SG 3.49Å; C252-C271 HydrophobicContact CB-CB 3.55Å; C252-C271 WeakPolarHBondContact CB-SG 3.39Å; C252-C271 VanDerWaalsContact SG-CA 3.56Å; C252-C271 WeakPolarHBondContact SG-CB 3.28Å; C252-C271 CovalentContact SG-SG 2.02Å; C252-C271 PolarHBondContact SG-SG 2.86Å
253L93.5Very high89.6Confident46 Ų4654.8 Ų54.824%0.24132%0.318CS..Hα-helixtrans-94.8-0.7-174.7-58.4-174.1000113.4C249 P255 W264 S292C249-L253 PolarHBondContact O-N 2.92Å; L253-P255 VanDerWaalsContact O-CD 3.3Å; L253-P255 WeakPolarHBondContact O-CD 3.05Å; L253-P255 VanDerWaalsContact O-N 3.16Å; L253-W264 HydrophobicContact CD1-CB 4.33Å; L253-W264 HydrophobicContact CD2-CB 4.12Å; L253-W264 HydrophobicContact CG-CB 4.16Å; L253-S292 WeakPolarHBondContact CD1-O 3.47Å
254R92.3Very high89.8Confident100 Ų10056 Ų5638%0.37732%0.323SS..  trans-54.9117.3179.1179.217150.2-138.1-20.1110.8N250 D251 G256 A257N250-R254 WeakPolarHBondContact O-CB 3.42Å; N250-R254 PolarHBondContact O-N 2.83Å; N250-R254 VanDerWaalsContact O-N 3.08Å; D251-R254 IonicContact OD1-CZ 3.29Å; D251-R254 VanDerWaalsContact OD1-CZ 3.29Å; D251-R254 IonicContact OD1-NH1 2.91Å; D251-R254 PolarHBondContact OD1-NH1 3.07Å; D251-R254 IonicContact OD1-NH2 3Å; D251-R254 PolarHBondContact OD1-NH2 2.86Å; R254-G256 PolarHBondContact O-N 2.78Å; R254-A257 HydrophobicContact CB-CB 3.92Å; R254-A257 HydrophobicContact CG-CB 3.96Å; R254-A257 VanDerWaalsContact O-CB 3.28Å; R254-A257 WeakPolarHBondContact O-CB 3.31Å; R254-A257 PolarHBondContact O-N 2.67Å
255P85.8Confident90Very high123 Ų12355.7 Ų55.780%0.79932%0.32SS*.THydrogen-bonded Turntrans-56.2138.2179.8-27.135.8000112.3L253 A257L253-P255 VanDerWaalsContact O-CD 3.3Å; L253-P255 WeakPolarHBondContact O-CD 3.05Å; L253-P255 VanDerWaalsContact O-N 3.16Å; P255-A257 PolarHBondContact O-N 2.77Å; P255-A257 VanDerWaalsContact O-N 3.13Å
256G83.4Confident90.1Very high82 Ų8253.9 Ų53.985%0.84531%0.312SS*.THydrogen-bonded Turntrans70-0.717800000116R254 F258R254-G256 PolarHBondContact O-N 2.78Å; G256-F258 VanDerWaalsContact C-N 3.25Å; G256-F258 PolarHBondContact O-N 2.76Å
257A82.6Confident89.9Confident16 Ų1656.4 Ų56.413%0.13232%0.32CS..SBendtrans-73.5-14.1-177.900000114.6R241 R254 P255R241-A257 WeakPolarHBondContact CD-O 3.46Å; R254-A257 HydrophobicContact CB-CB 3.92Å; R254-A257 HydrophobicContact CG-CB 3.96Å; R254-A257 VanDerWaalsContact O-CB 3.28Å; R254-A257 WeakPolarHBondContact O-CB 3.31Å; R254-A257 PolarHBondContact O-N 2.67Å; P255-A257 PolarHBondContact O-N 2.77Å; P255-A257 VanDerWaalsContact O-N 3.13Å
258F81.1Confident89.8Confident30 Ų3052.5 Ų52.513%0.13230%0.296CS..  trans-139.5150.1-175.6-51.5-78.9000110.8R241 Q246 D251 C252 G256 T260 C262R241-F258 HydrophobicContact CB-CD1 3.76Å; R241-F258 HydrophobicContact CB-CE1 3.82Å; R241-F258 WeakPolarHBondContact O-CD1 3.39Å; Q246-F258 VanDerWaalsContact CD-CZ 3.47Å; Q246-F258 HydrophobicContact CG-CE1 3.88Å; Q246-F258 HydrophobicContact CG-CE2 4.3Å; Q246-F258 HydrophobicContact CG-CZ 3.38Å; D251-F258 VanDerWaalsContact O-CE2 3.22Å; D251-F258 WeakPolarHBondContact O-CE2 3.48Å; D251-F258 WeakPolarHBondContact O-CZ 3.48Å; C252-F258 WeakPolarHBondContact O-CE2 3.01Å; G256-F258 VanDerWaalsContact C-N 3.25Å; G256-F258 PolarHBondContact O-N 2.76Å; F258-T260 VanDerWaalsContact CB-O 3.3Å; F258-T260 WeakPolarHBondContact CB-O 3.18Å; F258-C262 HydrophobicContact CD2-CB 4.27Å; F258-C262 WeakPolarHBondContact CD2-SG 3.47Å; F258-C262 WeakPolarHBondContact CG-SG 3.45Å
259A78.6Confident89.7Confident53 Ų5358 Ų5844%0.43832%0.315SS..SBendtrans-70.7-35.8169.700000113.1K52 D240K52-A259 HydrophobicContact CD-CB 4.32Å; D240-A259 WeakPolarHBondContact OD2-CB 3.35Å
260T81.7Confident89.7Confident37 Ų3757.7 Ų57.723%0.22731%0.313CS..SBendtrans-101.2146.6-177.954.90000109.4F258 C262F258-T260 VanDerWaalsContact CB-O 3.3Å; F258-T260 WeakPolarHBondContact CB-O 3.18Å; T260-C262 PolarHBondContact O-N 2.92Å; T260-C262 VanDerWaalsContact O-N 3.1Å
261K88Confident89.6Confident153 Ų15352 Ų5267%0.66528%0.283SS*.  trans-69.9110.2178.5-176.5174.1173.4-168.80109.4Y263K261-Y263 HydrophobicContact CD-CE1 4.12Å; K261-Y263 WeakPolarHBondContact CD-OH 3.32Å; K261-Y263 HydrophobicContact CG-CE1 4.29Å; K261-Y263 HydrophobicContact CG-CE2 4.26Å; K261-Y263 WeakPolarHBondContact O-CE2 3.42Å
262C91.5Very high89.5Confident13 Ų1349.4 Ų49.49%0.08827%0.268CS..  trans-80155.9171.1-58.70000111.7C243 C252 F258 T260 T272C243-C262 WeakPolarHBondContact CA-SG 3.27Å; C243-C262 HydrophobicContact CB-CB 3.77Å; C243-C262 WeakPolarHBondContact CB-SG 3.37Å; C243-C262 WeakPolarHBondContact SG-CA 3.46Å; C243-C262 WeakPolarHBondContact SG-CB 3.23Å; C243-C262 CovalentContact SG-SG 2.03Å; C243-C262 PolarHBondContact SG-SG 3.36Å; C252-C262 WeakPolarHBondContact O-CB 3.2Å; F258-C262 HydrophobicContact CD2-CB 4.27Å; F258-C262 WeakPolarHBondContact CD2-SG 3.47Å; F258-C262 WeakPolarHBondContact CG-SG 3.45Å; T260-C262 PolarHBondContact O-N 2.92Å; T260-C262 VanDerWaalsContact O-N 3.1Å; C262-T272 CarbonylContact C-O 3.5Å; C262-T272 WeakPolarHBondContact CA-O 3.32Å
263Y93.3Very high89.1Confident65 Ų6549.9 Ų49.926%0.25527%0.271SS..EExtended strand (participates in β ladder)trans-134.7136.8174.1-53.4-92.3000109.3C252 K261 C271 T272 T274 W282C252-Y263 VanDerWaalsContact SG-C 3.55Å; K261-Y263 HydrophobicContact CD-CE1 4.12Å; K261-Y263 WeakPolarHBondContact CD-OH 3.32Å; K261-Y263 HydrophobicContact CG-CE1 4.29Å; K261-Y263 HydrophobicContact CG-CE2 4.26Å; K261-Y263 WeakPolarHBondContact O-CE2 3.42Å; Y263-C271 WeakPolarHBondContact O-CA 3.18Å; Y263-T272 PolarHBondContact N-O 3.34Å; Y263-T272 PolarHBondContact O-N 3.25Å; Y263-T274 HydrophobicContact CD2-CG2 4.02Å; Y263-T274 HydrophobicContact CE2-CG2 4.24Å; Y263-W282 HydrophobicContact CG-CH2 4.11Å; Y263-W282 HydrophobicContact CG-CZ2 4.32Å
264W94.7Very high88.7Confident26 Ų2650 Ų5010%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-93.5133.8172.8-178.4-106.7000110.5C249 C252 L253 K269 C271C249-W264 HydrophobicContact CB-CD2 3.72Å; C249-W264 HydrophobicContact CB-CE3 4.38Å; C249-W264 HydrophobicContact CB-CG 3.76Å; C249-W264 HydrophobicContact CB-CZ2 4.25Å; C249-W264 VanDerWaalsContact SG-CD1 3.53Å; C252-W264 HydrophobicContact CB-CB 4.41Å; C252-W264 HydrophobicContact CB-CE3 3.88Å; L253-W264 HydrophobicContact CD1-CB 4.33Å; L253-W264 HydrophobicContact CD2-CB 4.12Å; L253-W264 HydrophobicContact CG-CB 4.16Å; W264-K269 HydrophobicContact CH2-CB 4.42Å; W264-K269 VanDerWaalsContact CH2-O 3.29Å; W264-K269 WeakPolarHBondContact CH2-O 3.47Å; W264-K269 HydrophobicContact CZ2-CB 4.2Å; W264-C271 HydrophobicContact CE3-CB 3.9Å; W264-C271 HydrophobicContact CZ3-CB 4.16Å
265C93.9Very high88.2Confident0 Ų050.5 Ų50.50%028%0.28CS..EExtended strand (participates in β ladder)trans-107.6112.2168.3-174.50000111.1R267 T268 K269 S270 W282 C287C265-R267 VanDerWaalsContact C-N 3.29Å; C265-R267 PolarHBondContact O-N 2.93Å; C265-T268 WeakPolarHBondContact CB-OG1 3.26Å; C265-T268 PolarHBondContact O-N 2.96Å; C265-K269 WeakPolarHBondContact O-CA 3.41Å; C265-K269 PolarHBondContact O-N 2.89Å; C265-S270 PolarHBondContact N-O 3.45Å; C265-S270 PolarHBondContact O-N 3.41Å; C265-W282 HydrophobicContact CB-CE3 3.72Å; C265-W282 HydrophobicContact CB-CZ3 3.59Å; C265-C287 HydrophobicContact CB-CB 3.54Å; C265-C287 WeakPolarHBondContact CB-SG 3.21Å; C265-C287 WeakPolarHBondContact SG-CB 3.43Å; C265-C287 CovalentContact SG-SG 2.02Å; C265-C287 PolarHBondContact SG-SG 2.68Å
266P91.2Very high88Confident20 Ų2045.1 Ų45.113%0.1324%0.244CC..THydrogen-bonded Turntrans-59.6-36.4176.1-2534.4000113.4K269 N299P266-K269 WeakPolarHBondContact O-CG 3.33Å; P266-N299 HydrophobicContact CB-CB 4.27Å
267R89.9Confident88Confident84 Ų8442.5 Ų42.532%0.31721%0.211SC..THydrogen-bonded Turntrans-66.4-42.8-177.5-66.9173.4173.9-159.40.4113C265 G285 E286 Q290C265-R267 VanDerWaalsContact C-N 3.29Å; C265-R267 PolarHBondContact O-N 2.93Å; R267-G285 WeakPolarHBondContact CD-O 3.48Å; R267-G285 PolarHBondContact NH1-O 3.5Å; R267-E286 IonicContact CZ-OE2 3.05Å; R267-E286 IonicContact NH1-OE2 2.67Å; R267-E286 PolarHBondContact NH1-OE2 2.89Å; R267-E286 IonicContact NH2-OE2 3.38Å; R267-Q290 VanDerWaalsContact NE-OE1 3.08Å
268T91.6Very high88.2Confident26 Ų2642.9 Ų42.916%0.1621%0.209CC..THydrogen-bonded Turntrans-94.8-5.617957.30000113.5C265 S270 M281C265-T268 WeakPolarHBondContact CB-OG1 3.26Å; C265-T268 PolarHBondContact O-N 2.96Å; T268-S270 PolarHBondContact O-N 3.18Å; T268-S270 PolarHBondContact OG1-OG 3.08Å; T268-M281 HydrophobicContact CG2-CB 4.28Å
269K92.6Very high88.4Confident154 Ų15441.6 Ų41.667%0.6720%0.204SC*.THydrogen-bonded Turntrans48.842.3-173.7-57.9-176-178.3-178.40112.4W264 C265 P266W264-K269 HydrophobicContact CH2-CB 4.42Å; W264-K269 VanDerWaalsContact CH2-O 3.29Å; W264-K269 WeakPolarHBondContact CH2-O 3.47Å; W264-K269 HydrophobicContact CZ2-CB 4.2Å; C265-K269 WeakPolarHBondContact O-CA 3.41Å; C265-K269 PolarHBondContact O-N 2.89Å; P266-K269 WeakPolarHBondContact O-CG 3.33Å
270S93.1Very high88.8Confident7 Ų747.1 Ų47.15%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-132.7148-177.463.10000112.1C265 T268C265-S270 PolarHBondContact N-O 3.45Å; C265-S270 PolarHBondContact O-N 3.41Å; T268-S270 PolarHBondContact O-N 3.18Å; T268-S270 PolarHBondContact OG1-OG 3.08Å
271C94Very high89.1Confident0 Ų047.7 Ų47.70%022%0.219CC..EExtended strand (participates in β ladder)trans-99139.3173.9-173.80000110.2C243 S244 Q246 C252 Y263 W264 Y278C243-C271 CarbonylContact C-O 3.58Å; C243-C271 WeakPolarHBondContact O-CB 3.27Å; C243-C271 PolarHBondContact O-SG 2.99Å; S244-C271 WeakPolarHBondContact CA-O 3.37Å; Q246-C271 HydrophobicContact CB-CB 3.82Å; C252-C271 WeakPolarHBondContact CA-SG 3.49Å; C252-C271 HydrophobicContact CB-CB 3.55Å; C252-C271 WeakPolarHBondContact CB-SG 3.39Å; C252-C271 VanDerWaalsContact SG-CA 3.56Å; C252-C271 WeakPolarHBondContact SG-CB 3.28Å; C252-C271 CovalentContact SG-SG 2.02Å; C252-C271 PolarHBondContact SG-SG 2.86Å; Y263-C271 WeakPolarHBondContact O-CA 3.18Å; W264-C271 HydrophobicContact CE3-CB 3.9Å; W264-C271 HydrophobicContact CZ3-CB 4.16Å; C271-Y278 WeakPolarHBondContact O-CD2 3.17Å
272T91.4Very high89.1Confident0 Ų041.2 Ų41.20%019%0.19CC..EExtended strand (participates in β ladder)trans-151.2153.3-178.5-175.10000113C243 C262 Y263 T274 D276 W282C243-T272 VanDerWaalsContact CB-C 3.41Å; C262-T272 CarbonylContact C-O 3.5Å; C262-T272 WeakPolarHBondContact CA-O 3.32Å; Y263-T272 PolarHBondContact N-O 3.34Å; Y263-T272 PolarHBondContact O-N 3.25Å; T272-T274 VanDerWaalsContact C-N 3.32Å; T272-T274 HydrophobicContact CG2-CG2 4.43Å; T272-T274 WeakPolarHBondContact OG1-CA 3.37Å; T272-T274 PolarHBondContact OG1-N 3.33Å; T272-D276 WeakPolarHBondContact CA-OD2 3.37Å; T272-D276 WeakPolarHBondContact CB-OD1 3.4Å; T272-D276 PolarHBondContact OG1-OD1 3.1Å; T272-D276 PolarHBondContact OG1-OD2 3.22Å; T272-W282 HydrophobicContact CG2-CB 4.08Å; T272-W282 HydrophobicContact CG2-CD2 3.6Å; T272-W282 HydrophobicContact CG2-CE3 3.17Å; T272-W282 HydrophobicContact CG2-CG 4Å; T272-W282 HydrophobicContact CG2-CZ3 3.84Å
273N87.2Confident88.9Confident13 Ų1348.2 Ų48.27%0.0722%0.219CC..  trans-93.815.5163.263.619.4000113C243 H275 D276C243-N273 HydrophobicContact CB-CB 4.45Å; N273-H275 PolarHBondContact O-N 3.18Å; N273-H275 PolarHBondContact O-ND1 3.34Å; N273-H275 WeakPolarHBondContact OD1-CA 3.46Å; N273-H275 PolarHBondContact OD1-N 3.14Å; N273-D276 PolarHBondContact N-OD2 3.38Å; N273-D276 WeakPolarHBondContact OD1-CB 3.24Å; N273-D276 PolarHBondContact OD1-N 2.68Å; N273-D276 PolarHBondContact OD1-OD2 3.02Å
274T85.1Confident88.7Confident47 Ų4752.5 Ų52.529%0.28824%0.239SC..SBendtrans62.1-4.9-171.9770000116.5Y217 Y263 T272 W282Y217-T274 WeakPolarHBondContact CE1-O 3.34Å; Y263-T274 HydrophobicContact CD2-CG2 4.02Å; Y263-T274 HydrophobicContact CE2-CG2 4.24Å; T272-T274 VanDerWaalsContact C-N 3.32Å; T272-T274 HydrophobicContact CG2-CG2 4.43Å; T272-T274 WeakPolarHBondContact OG1-CA 3.37Å; T272-T274 PolarHBondContact OG1-N 3.33Å; T274-W282 HydrophobicContact CG2-CD2 4.33Å; T274-W282 HydrophobicContact CG2-CG 4.32Å
275H80.8Confident88.3Confident111 Ų11151.5 Ų51.551%0.51424%0.237SC..SBendtrans-115.30.7-179.5-60.679.7000113N273N273-H275 PolarHBondContact O-N 3.18Å; N273-H275 PolarHBondContact O-ND1 3.34Å; N273-H275 WeakPolarHBondContact OD1-CA 3.46Å; N273-H275 PolarHBondContact OD1-N 3.14Å
276D83.5Confident88Confident10 Ų1055.9 Ų55.95%0.05326%0.258CS..SBendtrans-99.3-171179.664.638.6000112.7T272 N273 Y278 G279T272-D276 WeakPolarHBondContact CA-OD2 3.37Å; T272-D276 WeakPolarHBondContact CB-OD1 3.4Å; T272-D276 PolarHBondContact OG1-OD1 3.1Å; T272-D276 PolarHBondContact OG1-OD2 3.22Å; N273-D276 PolarHBondContact N-OD2 3.38Å; N273-D276 WeakPolarHBondContact OD1-CB 3.24Å; N273-D276 PolarHBondContact OD1-N 2.68Å; N273-D276 PolarHBondContact OD1-OD2 3.02Å; D276-Y278 PolarHBondContact O-N 3.36Å; D276-Y278 PolarHBondContact OD1-N 3.43Å; D276-G279 PolarHBondContact O-N 2.92Å
277I82.2Confident88Confident28 Ų2855 Ų5514%0.14425%0.251CS..THydrogen-bonded Turntrans-53.4-26.6-175.693.4-179.8000113.2V97 Y213V97-I277 HydrophobicContact CG2-CG2 3.7Å; Y213-I277 HydrophobicContact CE2-CG2 4.38Å; Y213-I277 WeakPolarHBondContact OH-CA 3.5Å; Y213-I277 VanDerWaalsContact OH-CB 3.28Å; Y213-I277 WeakPolarHBondContact OH-CB 3.22Å; Y213-I277 WeakPolarHBondContact OH-CG2 3.42Å
278Y87.3Confident87.7Confident24 Ų2456.2 Ų56.29%0.09426%0.261CS..THydrogen-bonded Turntrans-98.5-3.1-178.6-62.5-52.7000113.9S244 C271 D276 K280 M281 W282S244-Y278 WeakPolarHBondContact O-CE2 3.31Å; C271-Y278 WeakPolarHBondContact O-CD2 3.17Å; D276-Y278 PolarHBondContact O-N 3.36Å; D276-Y278 PolarHBondContact OD1-N 3.43Å; Y278-K280 PolarHBondContact O-N 3.2Å; Y278-K280 VanDerWaalsContact O-N 3.14Å; Y278-M281 HydrophobicContact CD1-SD 3.74Å; Y278-M281 HydrophobicContact CE1-SD 4.24Å; Y278-M281 CarbonylContact O-C 3.52Å; Y278-M281 WeakPolarHBondContact O-CA 3.26Å; Y278-M281 WeakPolarHBondContact O-CB 2.96Å; Y278-M281 PolarHBondContact O-N 2.84Å; Y278-W282 WeakPolarHBondContact O-CB 2.99Å; Y278-W282 PolarHBondContact O-N 3.04Å
279G85.6Confident87.3Confident3 Ų360.5 Ų60.53%0.03128%0.281CS..Hα-helixtrans-55.5-33.6178.400000113.8Y217 D276 W282 K283Y217-G279 WeakPolarHBondContact OH-CA 3.49Å; Y217-G279 PolarHBondContact OH-O 3.21Å; D276-G279 PolarHBondContact O-N 2.92Å; G279-W282 WeakPolarHBondContact O-CB 3.49Å; G279-K283 PolarHBondContact O-N 3.44Å; G279-K283 VanDerWaalsContact O-N 3.09Å
280K86.2Confident86.2Confident169 Ų16956.8 Ų56.874%0.73527%0.266SS*.Hα-helixtrans-70.9-38.7176.1-172.3177.7-179.6179.70111.5Y217 Y278 K284Y217-K280 PolarHBondContact OH-N 3.09Å; Y278-K280 PolarHBondContact O-N 3.2Å; Y278-K280 VanDerWaalsContact O-N 3.14Å; K280-K284 WeakPolarHBondContact O-CB 3.35Å; K280-K284 PolarHBondContact O-N 2.88Å
281M87.9Confident85.2Confident49 Ų4960 Ų6024%0.24128%0.283CS..Hα-helixtrans-70.7-37.9176.2-60.2-174.9-175.100111T268 Y278 K283 K284 G285 V308T268-M281 HydrophobicContact CG2-CB 4.28Å; Y278-M281 HydrophobicContact CD1-SD 3.74Å; Y278-M281 HydrophobicContact CE1-SD 4.24Å; Y278-M281 CarbonylContact O-C 3.52Å; Y278-M281 WeakPolarHBondContact O-CA 3.26Å; Y278-M281 WeakPolarHBondContact O-CB 2.96Å; Y278-M281 PolarHBondContact O-N 2.84Å; M281-K283 PolarHBondContact O-N 2.86Å; M281-K284 PolarHBondContact O-N 2.8Å; M281-G285 PolarHBondContact O-N 2.89Å; M281-V308 HydrophobicContact CE-CG1 3.62Å; M281-V308 HydrophobicContact SD-CG1 3.56Å; M281-V308 VanDerWaalsContact SD-CG1 3.56Å; M281-V308 HydrophobicContact SD-CG2 4.25Å
282W87.4Confident84.3Confident16 Ų1660.6 Ų60.66%0.06129%0.287CS..Hα-helixtrans-55.9-47.7172.5179.1-90.1000112.5Y263 C265 T272 T274 Y278 G279 E286 C287 N291Y263-W282 HydrophobicContact CG-CH2 4.11Å; Y263-W282 HydrophobicContact CG-CZ2 4.32Å; C265-W282 HydrophobicContact CB-CE3 3.72Å; C265-W282 HydrophobicContact CB-CZ3 3.59Å; T272-W282 HydrophobicContact CG2-CB 4.08Å; T272-W282 HydrophobicContact CG2-CD2 3.6Å; T272-W282 HydrophobicContact CG2-CE3 3.17Å; T272-W282 HydrophobicContact CG2-CG 4Å; T272-W282 HydrophobicContact CG2-CZ3 3.84Å; T274-W282 HydrophobicContact CG2-CD2 4.33Å; T274-W282 HydrophobicContact CG2-CG 4.32Å; Y278-W282 WeakPolarHBondContact O-CB 2.99Å; Y278-W282 PolarHBondContact O-N 3.04Å; G279-W282 WeakPolarHBondContact O-CB 3.49Å; W282-E286 PolarHBondContact O-N 3.22Å; W282-C287 HydrophobicContact CD2-CB 3.37Å; W282-C287 HydrophobicContact CE3-CB 3.38Å; W282-C287 HydrophobicContact CG-CB 3.93Å; W282-C287 HydrophobicContact CH2-CB 3.84Å; W282-C287 WeakPolarHBondContact CH2-O 3.41Å; W282-C287 VanDerWaalsContact CZ2-C 3.49Å; W282-C287 HydrophobicContact CZ2-CB 3.86Å; W282-C287 WeakPolarHBondContact CZ2-O 3.49Å; W282-C287 HydrophobicContact CZ3-CB 3.65Å; W282-C287 WeakPolarHBondContact O-CB 3.42Å; W282-C287 PolarHBondContact O-N 2.78Å; W282-C287 PolarHBondContact O-SG 3.12Å; W282-N291 HydrophobicContact CH2-CB 3.48Å; W282-N291 VanDerWaalsContact CH2-CB 3.48Å; W282-N291 HydrophobicContact CZ2-CB 3.82Å
283K88.3Confident83.7Confident161 Ų16166.1 Ų66.170%0.733%0.326SS*.Hα-helixtrans-66.2-46.7175.3-169.4173.6-178.5177.20111.5G279 M281 G285 E286G279-K283 PolarHBondContact O-N 3.44Å; G279-K283 VanDerWaalsContact O-N 3.09Å; M281-K283 PolarHBondContact O-N 2.86Å; K283-G285 VanDerWaalsContact C-N 3.32Å; K283-G285 PolarHBondContact O-N 2.82Å; K283-E286 PolarHBondContact O-N 2.99Å; K283-E286 VanDerWaalsContact O-N 3.13Å
284K89.1Confident83.4Confident155 Ų15569.7 Ų69.767%0.67435%0.345SS*.Hα-helixtrans-62.6-35.5179.8-174179.3179.9-176.60113.1K280 M281 E286K280-K284 WeakPolarHBondContact O-CB 3.35Å; K280-K284 PolarHBondContact O-N 2.88Å; M281-K284 PolarHBondContact O-N 2.8Å; K284-E286 VanDerWaalsContact C-N 3.25Å; K284-E286 PolarHBondContact O-N 3.24Å
285G87.2Confident83.5Confident5 Ų569.5 Ų69.55%0.05235%0.345CS..THydrogen-bonded Turntrans-80.2-0177.200000114.2R267 M281 K283 C287R267-G285 WeakPolarHBondContact CD-O 3.48Å; R267-G285 PolarHBondContact NH1-O 3.5Å; M281-G285 PolarHBondContact O-N 2.89Å; K283-G285 VanDerWaalsContact C-N 3.32Å; K283-G285 PolarHBondContact O-N 2.82Å; G285-C287 PolarHBondContact O-N 3.38Å
286E87.3Confident83.5Confident92 Ų9268 Ų6843%0.4335%0.347SS..THydrogen-bonded Turntrans56.425.2-172.9-46.1174.113400113.6R267 W282 K283 K284 H288 I289 Q290R267-E286 IonicContact CZ-OE2 3.05Å; R267-E286 IonicContact NH1-OE2 2.67Å; R267-E286 PolarHBondContact NH1-OE2 2.89Å; R267-E286 IonicContact NH2-OE2 3.38Å; W282-E286 PolarHBondContact O-N 3.22Å; K283-E286 PolarHBondContact O-N 2.99Å; K283-E286 VanDerWaalsContact O-N 3.13Å; K284-E286 VanDerWaalsContact C-N 3.25Å; K284-E286 PolarHBondContact O-N 3.24Å; E286-H288 PolarHBondContact O-N 2.87Å; E286-I289 HydrophobicContact CB-CD1 4.14Å; E286-I289 HydrophobicContact CB-CG1 4.39Å; E286-I289 WeakPolarHBondContact O-CB 3.45Å; E286-I289 PolarHBondContact O-N 2.86Å; E286-Q290 PolarHBondContact O-N 2.9Å
287C89.6Confident83Confident0 Ų070.9 Ų70.90%037%0.365CS..THydrogen-bonded Turntrans-62.5-14.3-177.5-50.20000112.6C265 W282 G285 I289 Q290 N291C265-C287 HydrophobicContact CB-CB 3.54Å; C265-C287 WeakPolarHBondContact CB-SG 3.21Å; C265-C287 WeakPolarHBondContact SG-CB 3.43Å; C265-C287 CovalentContact SG-SG 2.02Å; C265-C287 PolarHBondContact SG-SG 2.68Å; W282-C287 HydrophobicContact CD2-CB 3.37Å; W282-C287 HydrophobicContact CE3-CB 3.38Å; W282-C287 HydrophobicContact CG-CB 3.93Å; W282-C287 HydrophobicContact CH2-CB 3.84Å; W282-C287 WeakPolarHBondContact CH2-O 3.41Å; W282-C287 VanDerWaalsContact CZ2-C 3.49Å; W282-C287 HydrophobicContact CZ2-CB 3.86Å; W282-C287 WeakPolarHBondContact CZ2-O 3.49Å; W282-C287 HydrophobicContact CZ3-CB 3.65Å; W282-C287 WeakPolarHBondContact O-CB 3.42Å; W282-C287 PolarHBondContact O-N 2.78Å; W282-C287 PolarHBondContact O-SG 3.12Å; G285-C287 PolarHBondContact O-N 3.38Å; C287-I289 VanDerWaalsContact C-N 3.28Å; C287-Q290 CarbonylContact O-C 3.58Å; C287-N291 WeakPolarHBondContact O-CA 3.45Å; C287-N291 VanDerWaalsContact O-CB 3.3Å; C287-N291 WeakPolarHBondContact O-CB 3.41Å; C287-N291 PolarHBondContact O-N 2.8Å
288H84.9Confident82.1Confident110 Ų11077.5 Ų77.551%0.50940%0.395SS..THydrogen-bonded Turntrans-71.6-20.3171.564.1-80.6000113.7E286E286-H288 PolarHBondContact O-N 2.87Å
289I81.8Confident80.7Confident116 Ų11678.8 Ų78.860%0.59540%0.404SS*.THydrogen-bonded Turntrans-92.6-41.3174.2-47.8-179.1000110E286 C287E286-I289 HydrophobicContact CB-CD1 4.14Å; E286-I289 HydrophobicContact CB-CG1 4.39Å; E286-I289 WeakPolarHBondContact O-CB 3.45Å; E286-I289 PolarHBondContact O-N 2.86Å; C287-I289 VanDerWaalsContact C-N 3.28Å
290Q70.5Confident79.2Confident76 Ų7686.1 Ų86.136%0.35544%0.442SS..SBendtrans-120.461.4-178.7-66-177.7-16.900110.8R267 E286 C287R267-Q290 VanDerWaalsContact NE-OE1 3.08Å; E286-Q290 PolarHBondContact O-N 2.9Å; C287-Q290 CarbonylContact O-C 3.58Å
291N72.6Confident77.7Confident76 Ų7681.9 Ų81.941%0.40643%0.43SS..  trans-78.2156.4162.46531.6000109.1W282 C287W282-N291 HydrophobicContact CH2-CB 3.48Å; W282-N291 VanDerWaalsContact CH2-CB 3.48Å; W282-N291 HydrophobicContact CZ2-CB 3.82Å; C287-N291 WeakPolarHBondContact O-CA 3.45Å; C287-N291 VanDerWaalsContact O-CB 3.3Å; C287-N291 WeakPolarHBondContact O-CB 3.41Å; C287-N291 PolarHBondContact O-N 2.8Å
292S73.6Confident75.7Confident11 Ų1189 Ų898%0.07746%0.463CS..BIsolated β-bridgetrans-114.7129.4169.6-150.30000111L253 D294 V297L253-S292 WeakPolarHBondContact CD1-O 3.47Å; S292-D294 VanDerWaalsContact C-N 3.29Å; S292-D294 VanDerWaalsContact CB-O 3.27Å; S292-D294 WeakPolarHBondContact CB-O 3.38Å; S292-D294 PolarHBondContact OG-N 2.81Å; S292-D294 PolarHBondContact OG-O 2.82Å; S292-V297 WeakPolarHBondContact OG-CB 3.43Å; S292-V297 VanDerWaalsContact OG-CG2 3.26Å; S292-V297 WeakPolarHBondContact OG-CG2 3.3Å
293S79.6Confident73.9Confident116 Ų11692.6 Ų92.681%0.81149%0.487SS*.SBendtrans-83.9-7.7163.350.90000112.6
294D81.2Confident72.1Confident89 Ų8992.4 Ų92.448%0.47649%0.493SS..SBendtrans-134137.5-179-177.74.5000110.7S292 S296S292-D294 VanDerWaalsContact C-N 3.29Å; S292-D294 VanDerWaalsContact CB-O 3.27Å; S292-D294 WeakPolarHBondContact CB-O 3.38Å; S292-D294 PolarHBondContact OG-N 2.81Å; S292-D294 PolarHBondContact OG-O 2.82Å; D294-S296 PolarHBondContact O-N 2.78Å; D294-S296 PolarHBondContact OD1-N 3.4Å; D294-S296 VanDerWaalsContact OD1-N 3.08Å; D294-S296 PolarHBondContact OD1-OG 3.08Å; D294-S296 WeakPolarHBondContact OD2-CB 3.49Å; D294-S296 PolarHBondContact OD2-OG 2.82Å
295C86.7Confident70.3Confident42 Ų4291.9 Ų91.928%0.28450%0.497SS..THydrogen-bonded Turntrans-77.4-2.9179.7-59.20000113.9C249 N250 V297C249-C295 HydrophobicContact CB-CB 3.75Å; C249-C295 WeakPolarHBondContact CB-SG 3.36Å; C249-C295 WeakPolarHBondContact SG-CA 3.34Å; C249-C295 WeakPolarHBondContact SG-CB 2.92Å; C249-C295 CovalentContact SG-SG 2.04Å; C249-C295 PolarHBondContact SG-SG 2.92Å; N250-C295 PolarHBondContact N-SG 2.82Å; N250-C295 VanDerWaalsContact OD1-CB 3.32Å; N250-C295 WeakPolarHBondContact OD1-CB 3.23Å; N250-C295 PolarHBondContact OD1-SG 2.9Å; C295-V297 VanDerWaalsContact C-N 3.29Å; C295-V297 PolarHBondContact O-N 3.3Å
296S81.6Confident68.7Low81 Ų8195.7 Ų95.757%0.56652%0.516SS*.THydrogen-bonded Turntrans-64.8-25.9171.866.80000114.3D294 Q298D294-S296 PolarHBondContact O-N 2.78Å; D294-S296 PolarHBondContact OD1-N 3.4Å; D294-S296 VanDerWaalsContact OD1-N 3.08Å; D294-S296 PolarHBondContact OD1-OG 3.08Å; D294-S296 WeakPolarHBondContact OD2-CB 3.49Å; D294-S296 PolarHBondContact OD2-OG 2.82Å; S296-Q298 PolarHBondContact O-N 3.18Å
297V72.5Confident66.9Low69 Ų6999.6 Ų99.642%0.41853%0.534SS..  trans-76.185.7-175.6-173.10000111.4S292 C295 N299S292-V297 WeakPolarHBondContact OG-CB 3.43Å; S292-V297 VanDerWaalsContact OG-CG2 3.26Å; S292-V297 WeakPolarHBondContact OG-CG2 3.3Å; C295-V297 VanDerWaalsContact C-N 3.29Å; C295-V297 PolarHBondContact O-N 3.3Å; V297-N299 PolarHBondContact O-N 3.06Å
298Q62.6Low64.9Low168 Ų168102.6 Ų102.679%0.78555%0.552SS**  trans-76.9107.7162.7-64.7-1694.800109.2S296 N300S296-Q298 PolarHBondContact O-N 3.18Å; Q298-N300 PolarHBondContact O-N 2.84Å
299N58.7Low63.2Low51 Ų51103.1 Ų103.127%0.27356%0.563SS.*  trans-68.695.1172.6-84.8-0.5000110.3P266 V297 V301P266-N299 HydrophobicContact CB-CB 4.27Å; V297-N299 PolarHBondContact O-N 3.06Å; N299-V301 PolarHBondContact O-N 3.16Å; N299-V301 VanDerWaalsContact O-N 3.11Å
300N53.8Low61.6Low157 Ų157104.7 Ų104.784%0.8456%0.561SS**  trans-70.811.5168.1-100.5-6.8000113.6Q298 Q302Q298-N300 PolarHBondContact O-N 2.84Å; N300-Q302 PolarHBondContact O-N 3.12Å
301V54.5Low60.6Low79 Ų79105.1 Ų105.148%0.47957%0.571SS.*  trans-70.1106.1174.4-175.90000108.2N299 T303N299-V301 PolarHBondContact O-N 3.16Å; N299-V301 VanDerWaalsContact O-N 3.11Å; V301-T303 HydrophobicContact CG1-CG2 3.98Å; V301-T303 PolarHBondContact O-N 2.88Å; V301-T303 PolarHBondContact O-OG1 3.42Å
302Q45.2Very low59.1Low199 Ų199106.3 Ų106.393%0.9358%0.58SS**  trans-69.564.1-179.6-167.51764.500111.4N300N300-Q302 PolarHBondContact O-N 3.12Å
303T50.8Low57.5Low92 Ų92108.5 Ų108.556%0.56460%0.595SS**  trans-94.4136.417433.10000110.6V301 L305V301-T303 HydrophobicContact CG1-CG2 3.98Å; V301-T303 PolarHBondContact O-N 2.88Å; V301-T303 PolarHBondContact O-OG1 3.42Å; T303-L305 PolarHBondContact O-N 2.89Å; T303-L305 VanDerWaalsContact O-N 3.17Å
304N50.6Low55.5Low156 Ų156108.1 Ų108.183%0.83459%0.587SS**  trans-42122.2174.4-71.1-25.8000110.4I306N304-I306 PolarHBondContact O-N 3.38Å
305L50.5Low53Low144 Ų144108.8 Ų108.875%0.75460%0.595SS**  trans-55.4108.1-180-155106.2000107.5T303 Q307T303-L305 PolarHBondContact O-N 2.89Å; T303-L305 VanDerWaalsContact O-N 3.17Å; L305-Q307 VanDerWaalsContact C-N 3.31Å; L305-Q307 PolarHBondContact O-N 3.46Å
306I54.3Low50.6Low86 Ų86109 Ų10944%0.44160%0.597SS.*  trans-61.7106.1169-62.4177.7000103.8N304 V308N304-I306 PolarHBondContact O-N 3.38Å; I306-V308 HydrophobicContact CG2-CG2 4.19Å; I306-V308 PolarHBondContact O-N 2.77Å
307Q49Very low48.2Very low174 Ų174111.3 Ų111.381%0.81361%0.608SS**  trans-66.192.8175.8-76.1-168.7-11.500107.2L305 T309L305-Q307 VanDerWaalsContact C-N 3.31Å; L305-Q307 PolarHBondContact O-N 3.46Å; Q307-T309 PolarHBondContact O-N 3.38Å; Q307-T309 VanDerWaalsContact O-N 3.09Å
308V48.5Very low46.6Very low63 Ų63111.6 Ų111.638%0.38261%0.606SS.*  trans-75.897.2174176.40000106.2M281 I306 R310M281-V308 HydrophobicContact CE-CG1 3.62Å; M281-V308 HydrophobicContact SD-CG1 3.56Å; M281-V308 VanDerWaalsContact SD-CG1 3.56Å; M281-V308 HydrophobicContact SD-CG2 4.25Å; I306-V308 HydrophobicContact CG2-CG2 4.19Å; I306-V308 PolarHBondContact O-N 2.77Å; V308-R310 VanDerWaalsContact C-N 3.3Å; V308-R310 PolarHBondContact O-N 2.88Å
309T48.6Very low45.1Very low120 Ų120113.9 Ų113.974%0.73661%0.607SS**  trans-57.5105.1152.6-90000105.9Q307Q307-T309 PolarHBondContact O-N 3.38Å; Q307-T309 VanDerWaalsContact O-N 3.09Å
310R48.3Very low43.8Very low150 Ų150120.2 Ų120.257%0.56664%0.635SS**  trans-49.4144.6159-161.5175.9-161.5171.94.4106V308 V312V308-R310 VanDerWaalsContact C-N 3.3Å; V308-R310 PolarHBondContact O-N 2.88Å; R310-V312 PolarHBondContact O-N 3.36Å
311P48.6Very low42.8Very low85 Ų85121 Ų12155%0.55263%0.634SS**  trans-61.189.216226.1-32.3000107.2
312V42.5Very low42.1Very low100 Ų100125.1 Ų125.161%0.60665%0.648SS**  trans-56.6130.4164.1179.80000104.3R310 T314R310-V312 PolarHBondContact O-N 3.36Å; V312-T314 PolarHBondContact O-N 3.39Å
313P38.9Very low41.6Very low58 Ų58121.1 Ų121.138%0.37764%0.639SS.*  trans-53.2114174.7-2231.8000106.9T315P313-T315 PolarHBondContact O-N 3.31Å
314T37.8Very low40.9Very low107 Ų107124.1 Ų124.166%0.65665%0.651SS**  trans-55.5109.3-172.5-50.40000107.3V312 S316V312-T314 PolarHBondContact O-N 3.39Å; T314-S316 PolarHBondContact O-N 2.7Å
315T30Very low40.1Very low104 Ų104123.7 Ų123.764%0.63865%0.648SS**  trans-77.178.2163.1-58.80000104.4P313 T317P313-T315 PolarHBondContact O-N 3.31Å; T315-T317 VanDerWaalsContact C-N 3.33Å; T315-T317 PolarHBondContact O-N 3.36Å
316S35.3Very low39.3Very low46 Ų46123 Ų12332%0.32265%0.65SS.*  trans-56.3107.4159.438.50000105.3T314 I318T314-S316 PolarHBondContact O-N 2.7Å; S316-I318 PolarHBondContact O-N 3.14Å
317T30.6Very low38.3Very low130 Ų130126 Ų12680%0.79867%0.666SS**  trans-69.773.8164.2-510000106.4T315 R319T315-T317 VanDerWaalsContact C-N 3.33Å; T315-T317 PolarHBondContact O-N 3.36Å; T317-R319 PolarHBondContact O-N 3.31Å; T317-R319 VanDerWaalsContact O-N 3.12Å
318I39.1Very low37.7Very low74 Ų74125.7 Ų125.738%0.37966%0.664SS.*  trans-61.1115.5170.5-63.9176.2000104.5D87 S316 H320D87-I318 VanDerWaalsContact OD1-CD1 3.23Å; D87-I318 WeakPolarHBondContact OD1-CD1 3.42Å; D87-I318 WeakPolarHBondContact OD2-CD1 3.45Å; S316-I318 PolarHBondContact O-N 3.14Å; I318-H320 PolarHBondContact O-N 3.32Å; I318-H320 VanDerWaalsContact O-N 3.12Å
319R32.7Very low36.9Very low216 Ų216130.5 Ų130.582%0.81568%0.682SS**  trans-59.6118.2161.9-72.7-178.2178.3177.1-0.9105.1T317 E321T317-R319 PolarHBondContact O-N 3.31Å; T317-R319 VanDerWaalsContact O-N 3.12Å; R319-E321 PolarHBondContact O-N 2.82Å
320H30Very low36.4Very low185 Ų185133.3 Ų133.386%0.85669%0.691SS**  trans-62.988.4164.4-81.8-77.1000107.5I318 E322I318-H320 PolarHBondContact O-N 3.32Å; I318-H320 VanDerWaalsContact O-N 3.12Å; H320-E322 VanDerWaalsContact C-N 3.27Å; H320-E322 PolarHBondContact O-N 2.72Å
321E34.3Very low36Very low173 Ų173130.8 Ų130.881%0.80869%0.692SS**  trans-70.7100.2147.1-73.8-177.9-174.800104.9R319R319-E321 PolarHBondContact O-N 2.82Å
322E38Very low35.3Very low166 Ų166134.3 Ų134.378%0.77671%0.706SS**  trans-50.8122.9168.8-176.9174-175.400107.6H320 L324H320-E322 VanDerWaalsContact C-N 3.27Å; H320-E322 PolarHBondContact O-N 2.72Å; E322-L324 PolarHBondContact O-N 2.78Å
323P36.3Very low34.7Very low114 Ų114132.9 Ų132.974%0.7471%0.712SS**  trans-63.5111.2-173.124.1-32.7000108.8N325P323-N325 PolarHBondContact O-N 3.35Å
324L36Very low34.2Very low155 Ų155138 Ų13881%0.81274%0.736SS**  trans-52.6128.7170.1-106.487.9000107.9E322 V326E322-L324 PolarHBondContact O-N 2.78Å; L324-V326 HydrophobicContact CB-CG2 4.44Å; L324-V326 PolarHBondContact O-N 2.88Å
325N32.3Very low34Very low147 Ų147140 Ų14079%0.78675%0.747SS**  trans-64.282.1171.5-94.3-42.5000109.8P323 I327P323-N325 PolarHBondContact O-N 3.35Å; N325-I327 PolarHBondContact O-N 3.25Å
326V34.8Very low33.8Very low131 Ų131139.5 Ų139.579%0.79475%0.748SS**  trans-78.363.2166.8-170.60000108.4L324L324-V326 HydrophobicContact CB-CG2 4.44Å; L324-V326 PolarHBondContact O-N 2.88Å
327I33.1Very low33.6Very low149 Ų149146.1 Ų146.176%0.76477%0.771SS**  trans-116.365.8159.9-51.3-178.9000106.4N325N325-I327 PolarHBondContact O-N 3.25Å
328Q36.8Very low33.3Very low167 Ų167147.8 Ų147.878%0.7877%0.77SS**  trans-132.6109.1161.3-75.5-164.4-43.500110.1
329E31.6Very low33.1Very low163 Ų163152.3 Ų152.376%0.76279%0.793SS**  trans6166.7132-153.5159.2-146.800117.8V331E329-V331 HydrophobicContact CG-CB 4.2Å; E329-V331 HydrophobicContact CG-CG2 4.29Å; E329-V331 PolarHBondContact O-N 3.05Å; E329-V331 VanDerWaalsContact O-N 3.13Å
330I37.8Very low32.9Very low179 Ų179146.9 Ų146.992%0.91878%0.784SS**  trans-80.777.5151.8-54.7179.9000108.1
331V40.1Very low32.7Very low98 Ų98144.7 Ų144.759%0.59478%0.783SS**  trans-123.2116.4167176.20000108.5E329E329-V331 HydrophobicContact CG-CB 4.2Å; E329-V331 HydrophobicContact CG-CG2 4.29Å; E329-V331 PolarHBondContact O-N 3.05Å; E329-V331 VanDerWaalsContact O-N 3.13Å
332N33.8Very low32.3Very low159 Ų159143.2 Ų143.285%0.8578%0.781SS**SBendtrans63.2112.8167.4-60.2-21.6000119.3
333G29.8Very low32Very low70 Ų70142.1 Ų142.172%0.72279%0.786SS**  114.7102.7122.900000118.4
334N27.7Very low31.7Very low165 Ų165144 Ų14488%0.88279%0.789SS**  trans27.8100.9139.6-61-11.1000119.4
335V33.4Very low31.2Very low148 Ų148145 Ų14590%0.89779%0.793SS**  trans-134.4127.3137.2-179.10000109.6
336S27.2Very low31.1Very low94 Ų94145.4 Ų145.466%0.65779%0.793SS**  trans-97.2156.7171.398.20000110.7
337K30.1Very low30.6Very low186 Ų186147.4 Ų147.481%0.80979%0.793SS**  trans78.4114.3158.4-77.5174.6179.4178.50119.1
338H24.5Very low30.4Very low164 Ų164147.8 Ų147.876%0.75980%0.797SS**  81.989.2118.6-140-54.3000118.3
339I34.2Very low30Very low170 Ų170144.9 Ų144.987%0.87280%0.795SS**  trans-125.8142.8149.5-65.3-174.9000108.9
340V28.9Very low30Very low102 Ų102141.5 Ų141.562%0.61879%0.79SS**  trans-78.5149.5-167.8171.80000112.2D342V340-D342 PolarHBondContact O-N 2.88Å
341T27.2Very low29.5Very low138 Ų138140.7 Ų140.785%0.84779%0.787SS**  trans-85.8104177.4-41.40000110.9
342D25.2Very low29Very low142 Ų142146.5 Ų146.576%0.75980%0.8SS**  trans-133.299.8169.5-92.4-42.1000110.2V340V340-D342 PolarHBondContact O-N 2.88Å
343T32.1Very low28.7Very low143 Ų143143.9 Ų143.988%0.87779%0.794SS**  trans-152.9136.5149.5-36.90000110.7
344N30Very low28.7Very low153 Ų153146.8 Ų146.882%0.81880%0.798SS**  trans-71.3158.3-167.3-74-56.8000115.2I346N344-I346 PolarHBondContact O-N 2.82Å
345M25Very low28.5Very low178 Ų178146.6 Ų146.688%0.87779%0.791SS**  trans-53.9132.3162.8-53.6-176.9-157.800110.6
346I29.9Very low28.3Very low154 Ų154146.8 Ų146.879%0.7979%0.787SS**  trans-108.6102.4156.4-65.6178000106.8N344N344-I346 PolarHBondContact O-N 2.82Å
347Q24.1Very low28.2Very low173 Ų173149.6 Ų149.681%0.80880%0.795SS**  trans-64.3131.5164.2-65.6174-63.200108.2
348N29.7Very low28.2Very low157 Ų157147.6 Ų147.684%0.8480%0.798SS**  trans-125.7111.3158.4-107.2-26.5000110.1
349S27.2Very low28.2Very low107 Ų107147.8 Ų147.875%0.74880%0.8SS**  trans-70142.5177.3172.10000111.5
350S32.4Very low27.7Very low92 Ų92145.2 Ų145.264%0.64379%0.792SS**  179.290.1115.5350000111.7Y352S350-Y352 PolarHBondContact O-N 2.82Å
351D27.4Very low27.6Very low162 Ų162147.4 Ų147.487%0.86680%0.8SS**  trans-66.9117.5162.9-89.4-50.5000110S353D351-S353 PolarHBondContact O-N 2.87Å
352Y29.1Very low27.3Very low219 Ų219148.1 Ų148.186%0.85980%0.798SS**  trans-84.686.9164.6-91.2-92.2000109.7S350S350-Y352 PolarHBondContact O-N 2.82Å
353S27.3Very low27.4Very low104 Ų104148.3 Ų148.373%0.72780%0.797SS**  trans-78.9118.2168.153.30000110.3D351D351-S353 PolarHBondContact O-N 2.87Å
354V30.8Very low27.1Very low131 Ų131149.7 Ų149.779%0.79479%0.794SS**  trans-89.6107.8168.5177.60000107.5N356V354-N356 PolarHBondContact O-N 2.92Å
355Q22.3Very low27.1Very low161 Ų161148.6 Ų148.675%0.75279%0.792SS**  trans-64.2126.3173.1-71.1177.6-53.700110.4
356N29.6Very low27.3Very low152 Ų152146.4 Ų146.481%0.81379%0.789SS**  trans-120.4113.6152.2-91.1-14.7000107.3V354 V358V354-N356 PolarHBondContact O-N 2.92Å; N356-V358 PolarHBondContact O-N 3.03Å
357N24.3Very low27Very low153 Ų153149.7 Ų149.782%0.81879%0.792SS**  trans-71.8110.1176.5-74.1-26.4000110
358V31.4Very low27.1Very low144 Ų144147.3 Ų147.387%0.87379%0.791SS**  trans-129.2128153.6-177.90000107.4N356N356-V358 PolarHBondContact O-N 3.03Å
359Q23.3Very low27.3Very low169 Ų169145.4 Ų145.479%0.7979%0.785SS**  trans-97.8155.6-167.4-164179.1-18.900110.1
360T24.3Very low28.1Very low116 Ų116145.5 Ų145.571%0.71278%0.783SS**  trans70.1144.417373.70000115.9
361N26.8Very low28.1Very low147 Ų147147.8 Ų147.879%0.78679%0.793SS**  cis-133.31565.4-100.8-38.5000112.9
362L21.2Very low28Very low154 Ų154146.5 Ų146.581%0.80679%0.791SS**  trans-78120.1176.8-164.187.5000110.2Q364L362-Q364 HydrophobicContact CD2-CG 4.36Å
363I27.8Very low28.1Very low146 Ų146141.5 Ų141.575%0.74979%0.788SS**  trans-117.6107164.1-57-178.3000108V365I363-V365 HydrophobicContact CG2-CG2 3.91Å; I363-V365 PolarHBondContact O-N 2.88Å
364Q24.9Very low28.1Very low172 Ų172142.7 Ų142.780%0.80479%0.791SS**  trans-73.2119.2165.3-70.7-176.8-20.200108.5L362L362-Q364 HydrophobicContact CD2-CG 4.36Å
365V29.8Very low27.8Very low129 Ų129143.6 Ų143.678%0.78279%0.79SS**  trans-114.1119.3162.8-176.40000107.9I363I363-V365 HydrophobicContact CG2-CG2 3.91Å; I363-V365 PolarHBondContact O-N 2.88Å
366T29.4Very low28.2Very low132 Ų132147.7 Ų147.781%0.8180%0.799SS**  trans-68.5142.1-176.3-10.20000111.3P368T366-P368 WeakPolarHBondContact O-CD 3.43Å
367R23.2Very low27.9Very low224 Ų224148.8 Ų148.885%0.84580%0.799SS**  trans-78.6127.3175.8172.2-163.6-84.3174.2-8.6111V369R367-V369 HydrophobicContact CG-CG2 3.76Å
368P26.6Very low28.2Very low123 Ų123150.8 Ų150.880%0.79980%0.803SS**  trans-111.5131.8155.228-12.5000111.5T366T366-P368 WeakPolarHBondContact O-CD 3.43Å
369V35.1Very low28Very low116 Ų116152.2 Ų152.270%0.70380%0.801SS**  trans-151.4137.3-178.1165.60000107.5R367R367-V369 HydrophobicContact CG-CG2 3.76Å
370P43.8Very low28.7Very low110 Ų110148.7 Ų148.771%0.71479%0.792SS**  cis-122.8173.5-41.937-20.5000110.8
371T31Very low28.8Very low139 Ų139150.3 Ų150.385%0.85380%0.796SS**  trans-135.8118.4163.6-44.10000111.6
372T25.9Very low28.8Very low135 Ų135150.2 Ų150.283%0.82880%0.795SS**  trans-71.1126.3175.1-46.60000110.6
373S30.6Very low29.4Very low114 Ų114149.6 Ų149.680%0.79780%0.798SS**  trans-157.2140.9151.645.20000114.7
374T27.8Very low29.2Very low129 Ų129149 Ų14979%0.79180%0.795SS**  trans-54.8134.7-177-49.60000116.5
375I24.4Very low29.4Very low151 Ų151148.5 Ų148.577%0.77479%0.792SS**  trans2.1121.1141.3-54.7167.6000116.4
376R30.1Very low29.2Very low246 Ų246147.6 Ų147.693%0.92878%0.783SS**  -154.8139.9128.6-109.3175.3-162.9-167.24.1111.7
377H24.4Very low29.2Very low175 Ų175147.9 Ų147.981%0.8178%0.778SS**  trans-68.3140.3166.5-101.5-96000109.8
378E31.3Very low29.3Very low196 Ų196143.4 Ų143.492%0.91677%0.77SS**  trans-162.9122.5135.7-110.5157.6-146.100111.1
379E25.7Very low29.5Very low174 Ų174143.7 Ų143.781%0.81376%0.764SS**  trans-85.4170.4157.2-123.1-171.611800107.5
380P38.9Very low29.3Very low95 Ų95145 Ų14562%0.61776%0.763SS**  cis-141.3-158.61.534.1-9.6000114.3
381L27.1Very low28.6Very low149 Ų149145.5 Ų145.578%0.7876%0.759SS**  trans89.1104158.6-10383.7000120.8
382N26.1Very low28.5Very low145 Ų145145 Ų14578%0.77576%0.756SS**  19.5112.8126-66.7-14.4000119
383V33.2Very low29Very low142 Ų142144.4 Ų144.486%0.86176%0.757SS**  trans-130.9134.3138.7178.50000108.6
384I24.3Very low28.8Very low134 Ų134141.8 Ų141.869%0.68775%0.748SS**  trans-104.7162177.9-87.6170.3000108
385Q27.8Very low29.2Very low161 Ų161145.2 Ų145.275%0.75276%0.755SS**  trans72.9147.8175.9-74.6172-79.500114.9
386D26.9Very low29.5Very low110 Ų110145.2 Ų145.259%0.58876%0.755SS**  cis-164.5170.9-0.4-125.1-27.8000110.8
387I28.2Very low29.4Very low138 Ų138139.5 Ų139.571%0.70875%0.747SS**  trans65.9145.1145.7-70.6164.3000118
388I26.8Very low30.2Very low130 Ų130136.7 Ų136.767%0.66774%0.744SS**  cis-176.2169.7-27.1-120.2171.9000106
389N29.4Very low30.1Very low129 Ų129134.3 Ų134.369%0.6974%0.738SS**  trans67.2154.5174.2-67.8-4.8000116.3
390E31.2Very low30.2Very low142 Ų142131.8 Ų131.866%0.66473%0.734SS**  cis-164.1166.2-9.6-106.2171105.300106.2
391N29.7Very low30Very low121 Ų121134.3 Ų134.365%0.64774%0.743SS**  cis-156.2160.15.5-130.6-26.1000113.7
392V27.9Very low30Very low130 Ų130136.1 Ų136.179%0.78875%0.75SS**  trans23.1141.6144.21710000123.5
393S36.5Very low30.2Very low122 Ų122136.5 Ų136.585%0.85375%0.75SS**  trans103.7123.5157.1-156.90000116
394G27.7Very low30Very low58 Ų58137.6 Ų137.660%0.59875%0.746SS**  cis161.3112.3-5.800000112.4
395H35.3Very low30.2Very low202 Ų202137 Ų13794%0.93575%0.748SS**  trans-160.2148.7152.5-109.5-68.8000110.1
396I31.5Very low30.3Very low150 Ų150135.5 Ų135.577%0.76974%0.744SS**  trans-127.6127.7-152.6-78.1173.3000110.5
397V27.9Very low30.3Very low127 Ų127137.6 Ų137.677%0.7775%0.75SS**  trans70.7150.5152.7168.70000117.8
398P41.1Very low30.5Very low116 Ų116137.2 Ų137.275%0.75375%0.748SS**  cis-115.11610.914.88.3000116.7
399D28.4Very low30.8Very low145 Ų145137.1 Ų137.178%0.77575%0.749SS**  trans-66.6-179.3164.4-82-68000115.1
400T28.9Very low31Very low121 Ų121140 Ų14074%0.74276%0.755SS**  trans85.187161.268.70000117.5
401N34.5Very low31.1Very low149 Ų149137.9 Ų137.980%0.79775%0.752SS**  -160.711398.3-94.3-34.8000111.6I403N401-I403 PolarHBondContact O-N 2.8Å
402M27.3Very low31.4Very low187 Ų187139.6 Ų139.692%0.92176%0.757SS**  trans-66.498.6163.2-72.7-170.2-166.200108.7Q404M402-Q404 PolarHBondContact O-N 3.12Å; M402-Q404 VanDerWaalsContact O-N 3.1Å
403I30.6Very low31.9Very low153 Ų153139.2 Ų139.279%0.78576%0.758SS**  trans-73.7102.6160.3-62-179.2000106.3N401 V405N401-I403 PolarHBondContact O-N 2.8Å; I403-V405 PolarHBondContact O-N 2.99Å; I403-V405 VanDerWaalsContact O-N 3.12Å
404Q28.4Very low32.1Very low164 Ų164139.8 Ų139.877%0.76675%0.75SS**  trans-51.7120168.8-75.1-178.5-25.800108.6M402 I406M402-Q404 PolarHBondContact O-N 3.12Å; M402-Q404 VanDerWaalsContact O-N 3.1Å; Q404-I406 PolarHBondContact O-N 3.34Å
405V29.3Very low32.7Very low122 Ų122142.1 Ų142.174%0.73975%0.746SS**  trans-69.589.7167.61800000106.8I403 Q407I403-V405 PolarHBondContact O-N 2.99Å; I403-V405 VanDerWaalsContact O-N 3.12Å; V405-Q407 VanDerWaalsContact C-N 3.26Å; V405-Q407 HydrophobicContact CG1-CG 4.49Å; V405-Q407 PolarHBondContact O-N 2.87Å
406I28.3Very low33.2Very low130 Ų130135.5 Ų135.567%0.66772%0.722SS**  trans-63.597.9165.6-58179.3000105.8Q404 I408Q404-I406 PolarHBondContact O-N 3.34Å; I406-I408 HydrophobicContact CB-CG1 4.47Å; I406-I408 HydrophobicContact CG2-CG1 3.72Å; I406-I408 PolarHBondContact O-N 2.91Å
407Q28.5Very low33.5Very low153 Ų153132.5 Ų132.572%0.71571%0.711SS**  trans-62.484.3164.6-79.2-78.1-29.600107.6V405 N409V405-Q407 VanDerWaalsContact C-N 3.26Å; V405-Q407 HydrophobicContact CG1-CG 4.49Å; V405-Q407 PolarHBondContact O-N 2.87Å; Q407-N409 PolarHBondContact O-N 3.17Å
408I31.3Very low34.4Very low131 Ų131131.1 Ų131.167%0.67270%0.703SS**  trans-69.989.9169.3-56.2179.4000106.5I406 K410I406-I408 HydrophobicContact CB-CG1 4.47Å; I406-I408 HydrophobicContact CG2-CG1 3.72Å; I406-I408 PolarHBondContact O-N 2.91Å; I408-K410 HydrophobicContact CG2-CB 4.45Å; I408-K410 PolarHBondContact O-N 2.81Å
409N32.5Very low34.9Very low127 Ų127128.8 Ų128.868%0.67968%0.683SS**  trans-50.7103.3164.5-83.7-23.9000108.2Q407Q407-N409 PolarHBondContact O-N 3.17Å
410K33.4Very low36.1Very low189 Ų189127.1 Ų127.182%0.82267%0.674SS**  trans-12648.9176.1-143.3171.8-171.6174.20111.4I408I408-K410 HydrophobicContact CG2-CB 4.45Å; I408-K410 PolarHBondContact O-N 2.81Å
411T33.6Very low37.3Very low99 Ų99129.1 Ų129.161%0.60767%0.673SS**  trans-95.615.9177.5-35.80000112.1
412E37.5Very low39Very low157 Ų157127.6 Ų127.673%0.73466%0.664SS**Hα-helixtrans-92.9-21.7-164.5-65.3-164.8136.700116.4
413C37.2Very low41.4Very low121 Ų121124.8 Ų124.882%0.81865%0.647SS**Hα-helixtrans-78.4-32.8-174.8-83.60000115.4
414I40.9Very low43.7Very low135 Ų135121.5 Ų121.569%0.69264%0.636SS**Hα-helixtrans-90.8-28.2-177.1-64.8170.7000111.7S416I414-S416 PolarHBondContact O-N 2.8Å
415Q41.4Very low46.1Very low107 Ų107116.8 Ų116.850%0.562%0.619SS.*Hα-helixtrans-65.9-23.9171.5-75-162.9-23.100112.6T417 T418 I419Q415-T417 PolarHBondContact O-N 3.21Å; Q415-T418 PolarHBondContact O-N 2.74Å; Q415-I419 HydrophobicContact CB-CD1 3.72Å; Q415-I419 HydrophobicContact CB-CG1 4.17Å; Q415-I419 HydrophobicContact CG-CD1 4.47Å; Q415-I419 WeakPolarHBondContact O-CB 3.23Å; Q415-I419 VanDerWaalsContact O-CG1 3.23Å; Q415-I419 WeakPolarHBondContact O-CG1 3.33Å; Q415-I419 PolarHBondContact O-N 2.69Å
416S45.7Very low48.7Very low62 Ų62115.3 Ų115.343%0.43461%0.607SS.*Hα-helixtrans-54.9-43.8-173.2-171.80000114I414 L420I414-S416 PolarHBondContact O-N 2.8Å; S416-L420 VanDerWaalsContact O-CB 3.23Å; S416-L420 WeakPolarHBondContact O-CB 3.15Å; S416-L420 PolarHBondContact O-N 2.78Å
417T37.7Very low51.5Low87 Ų87114.7 Ų114.753%0.53460%0.604SS.*Hα-helixtrans-76.9-42-176.850.20000113.5Q415 L420 F421Q415-T417 PolarHBondContact O-N 3.21Å; T417-L420 WeakPolarHBondContact O-CB 3.22Å; T417-L420 PolarHBondContact O-N 3.05Å; T417-F421 PolarHBondContact O-N 2.67Å
418T45.9Very low54.3Low99 Ų99115.9 Ų115.961%0.60760%0.602SS**Hα-helixtrans-69.4-37.2174.111.70000111.8Q415 L420 F421 N422Q415-T418 PolarHBondContact O-N 2.74Å; T418-L420 VanDerWaalsContact C-N 3.35Å; T418-F421 PolarHBondContact O-N 3.19Å; T418-N422 VanDerWaalsContact O-CB 3.28Å; T418-N422 WeakPolarHBondContact O-CB 3.18Å; T418-N422 PolarHBondContact O-N 2.93Å
419I52.9Low56.8Low67 Ų67113.3 Ų113.334%0.34459%0.588SS.*Hα-helixtrans-65.9-37170.3-69.8-178.5000110.6Q415 N422 K423Q415-I419 HydrophobicContact CB-CD1 3.72Å; Q415-I419 HydrophobicContact CB-CG1 4.17Å; Q415-I419 HydrophobicContact CG-CD1 4.47Å; Q415-I419 WeakPolarHBondContact O-CB 3.23Å; Q415-I419 VanDerWaalsContact O-CG1 3.23Å; Q415-I419 WeakPolarHBondContact O-CG1 3.33Å; Q415-I419 PolarHBondContact O-N 2.69Å; I419-N422 PolarHBondContact O-N 3Å; I419-K423 HydrophobicContact CG2-CD 3.63Å; I419-K423 HydrophobicContact CG2-CG 3.92Å; I419-K423 WeakPolarHBondContact O-CA 3.28Å; I419-K423 WeakPolarHBondContact O-CB 2.89Å; I419-K423 WeakPolarHBondContact O-CG 2.93Å; I419-K423 PolarHBondContact O-N 3.08Å
420L52.8Low59.5Low110 Ų110110.9 Ų110.958%0.57657%0.574SS**Hα-helixtrans-62.8-46.6174.3-100.8155.9000111.7S416 T417 T418 K423 C424S416-L420 VanDerWaalsContact O-CB 3.23Å; S416-L420 WeakPolarHBondContact O-CB 3.15Å; S416-L420 PolarHBondContact O-N 2.78Å; T417-L420 WeakPolarHBondContact O-CB 3.22Å; T417-L420 PolarHBondContact O-N 3.05Å; T418-L420 VanDerWaalsContact C-N 3.35Å; L420-K423 PolarHBondContact O-N 2.26Å; L420-C424 VanDerWaalsContact O-CB 3.23Å; L420-C424 WeakPolarHBondContact O-CB 3.28Å; L420-C424 PolarHBondContact O-N 2.88Å
421F54.1Low62.3Low163 Ų163104.4 Ų104.472%0.71556%0.556SS**Hα-helixtrans-62.6-45.4176.6-123.8-85.5000111.6T417 T418 C424 T425T417-F421 PolarHBondContact O-N 2.67Å; T418-F421 PolarHBondContact O-N 3.19Å; F421-C424 PolarHBondContact O-N 2.82Å; F421-T425 WeakPolarHBondContact O-CG2 3.32Å; F421-T425 PolarHBondContact O-N 3Å; F421-T425 PolarHBondContact O-OG1 3.1Å
422N70.3Confident64.9Low116 Ų116102.5 Ų102.562%0.6254%0.544SS*.Hα-helixtrans-72.6-29.3-178.9-15015.4000112.9T418 I419 T425 L426T418-N422 VanDerWaalsContact O-CB 3.28Å; T418-N422 WeakPolarHBondContact O-CB 3.18Å; T418-N422 PolarHBondContact O-N 2.93Å; I419-N422 PolarHBondContact O-N 3Å; N422-T425 WeakPolarHBondContact CA-OG1 3.3Å; N422-T425 PolarHBondContact O-OG1 2.84Å; N422-T425 VanDerWaalsContact O-OG1 3.08Å; N422-L426 WeakPolarHBondContact O-CB 3.45Å; N422-L426 PolarHBondContact O-N 3.16Å
423K77.4Confident67.4Low129 Ų12999.1 Ų99.156%0.56153%0.53SS*.Hα-helixtrans-71.4-37.7169.1-79.4179.5178.2174.40111.4I419 L420 L426 L427I419-K423 HydrophobicContact CG2-CD 3.63Å; I419-K423 HydrophobicContact CG2-CG 3.92Å; I419-K423 WeakPolarHBondContact O-CA 3.28Å; I419-K423 WeakPolarHBondContact O-CB 2.89Å; I419-K423 WeakPolarHBondContact O-CG 2.93Å; I419-K423 PolarHBondContact O-N 3.08Å; L420-K423 PolarHBondContact O-N 2.26Å; K423-L426 PolarHBondContact O-N 3.48Å; K423-L427 VanDerWaalsContact O-CB 3.24Å; K423-L427 WeakPolarHBondContact O-CB 3.42Å; K423-L427 WeakPolarHBondContact O-CD1 3.13Å; K423-L427 VanDerWaalsContact O-CG 3.31Å; K423-L427 WeakPolarHBondContact O-CG 3.34Å; K423-L427 PolarHBondContact O-N 3.21Å
424C78.8Confident70Confident83 Ų8397.6 Ų97.656%0.56151%0.513SS*.Hα-helixtrans-69.2-43.9179.1-158.70000111L420 F421 L427 W428L420-C424 VanDerWaalsContact O-CB 3.23Å; L420-C424 WeakPolarHBondContact O-CB 3.28Å; L420-C424 PolarHBondContact O-N 2.88Å; F421-C424 PolarHBondContact O-N 2.82Å; C424-L427 PolarHBondContact O-N 2.97Å; C424-W428 WeakPolarHBondContact O-CB 3.43Å; C424-W428 PolarHBondContact O-N 2.94Å
425T79.8Confident72.5Confident66 Ų6696.6 Ų96.641%0.40551%0.508SS..Hα-helixtrans-64.4-41.8172.5570000111.9F421 N422 W428 M429F421-T425 WeakPolarHBondContact O-CG2 3.32Å; F421-T425 PolarHBondContact O-N 3Å; F421-T425 PolarHBondContact O-OG1 3.1Å; N422-T425 WeakPolarHBondContact CA-OG1 3.3Å; N422-T425 PolarHBondContact O-OG1 2.84Å; N422-T425 VanDerWaalsContact O-OG1 3.08Å; T425-W428 PolarHBondContact O-N 3.14Å; T425-M429 WeakPolarHBondContact O-CG 3.5Å; T425-M429 PolarHBondContact O-N 2.88Å
426L83.4Confident74.7Confident91 Ų9192.7 Ų92.748%0.47649%0.493SS..Hα-helixtrans-63.5-43.9175.5-176.865.3000112.2N422 K423 W428 M429 I430N422-L426 WeakPolarHBondContact O-CB 3.45Å; N422-L426 PolarHBondContact O-N 3.16Å; K423-L426 PolarHBondContact O-N 3.48Å; L426-W428 VanDerWaalsContact C-N 3.31Å; L426-W428 PolarHBondContact O-N 2.96Å; L426-M429 HydrophobicContact CD1-CE 4.42Å; L426-M429 PolarHBondContact O-N 2.9Å; L426-I430 HydrophobicContact CD1-CD1 4.23Å; L426-I430 HydrophobicContact CG-CD1 3.92Å; L426-I430 WeakPolarHBondContact O-CB 3.35Å; L426-I430 VanDerWaalsContact O-CG1 3.26Å; L426-I430 WeakPolarHBondContact O-CG1 3.27Å; L426-I430 PolarHBondContact O-N 3.01Å
427L87Confident76.9Confident116 Ų11694.1 Ų94.161%0.60750%0.495SS*.Hα-helixtrans-61.3-39.6173.7-83.6162.4000111.6K423 C424 I430 A431K423-L427 VanDerWaalsContact O-CB 3.24Å; K423-L427 WeakPolarHBondContact O-CB 3.42Å; K423-L427 WeakPolarHBondContact O-CD1 3.13Å; K423-L427 VanDerWaalsContact O-CG 3.31Å; K423-L427 WeakPolarHBondContact O-CG 3.34Å; K423-L427 PolarHBondContact O-N 3.21Å; C424-L427 PolarHBondContact O-N 2.97Å; L427-I430 PolarHBondContact O-N 3.47Å; L427-A431 VanDerWaalsContact O-CB 3.26Å; L427-A431 WeakPolarHBondContact O-CB 3.47Å; L427-A431 PolarHBondContact O-N 2.72Å
428W86.2Confident79.5Confident179 Ų17994.6 Ų94.668%0.67849%0.493SS*.Hα-helixtrans-68.5-39.2176.8-160.980.4000112.2C424 T425 L426 A431 T432C424-W428 WeakPolarHBondContact O-CB 3.43Å; C424-W428 PolarHBondContact O-N 2.94Å; T425-W428 PolarHBondContact O-N 3.14Å; L426-W428 VanDerWaalsContact C-N 3.31Å; L426-W428 PolarHBondContact O-N 2.96Å; W428-A431 PolarHBondContact O-N 2.82Å; W428-T432 HydrophobicContact CD2-CG2 4.36Å; W428-T432 HydrophobicContact CE3-CG2 4.29Å; W428-T432 HydrophobicContact CH2-CG2 4.38Å; W428-T432 HydrophobicContact CZ2-CG2 4.44Å; W428-T432 HydrophobicContact CZ3-CG2 4.31Å; W428-T432 WeakPolarHBondContact O-CG2 3.41Å; W428-T432 PolarHBondContact O-N 3.4Å; W428-T432 PolarHBondContact O-OG1 3.35Å
429M84.7Confident81.6Confident76 Ų7694.8 Ų94.837%0.37449%0.49SS..Hα-helixtrans-65.8-42.2171.8-70.4-156.2-57.200112.3T425 L426 A431 T432 I433T425-M429 WeakPolarHBondContact O-CG 3.5Å; T425-M429 PolarHBondContact O-N 2.88Å; L426-M429 HydrophobicContact CD1-CE 4.42Å; L426-M429 PolarHBondContact O-N 2.9Å; M429-A431 VanDerWaalsContact C-N 3.32Å; M429-A431 PolarHBondContact O-N 2.93Å; M429-T432 PolarHBondContact O-N 3.09Å; M429-T432 PolarHBondContact O-OG1 2.96Å; M429-T432 VanDerWaalsContact O-OG1 3.06Å; M429-I433 WeakPolarHBondContact O-CB 3.29Å; M429-I433 WeakPolarHBondContact O-CD1 3.23Å; M429-I433 WeakPolarHBondContact O-CG1 3.43Å; M429-I433 PolarHBondContact O-N 2.87Å
430I89.9Confident83.3Confident77 Ų7794.6 Ų94.640%0.39549%0.492SS..Hα-helixtrans-63.2-40.9174.7-69.7166.6000110.2L426 L427 I433 I434L426-I430 HydrophobicContact CD1-CD1 4.23Å; L426-I430 HydrophobicContact CG-CD1 3.92Å; L426-I430 WeakPolarHBondContact O-CB 3.35Å; L426-I430 VanDerWaalsContact O-CG1 3.26Å; L426-I430 WeakPolarHBondContact O-CG1 3.27Å; L426-I430 PolarHBondContact O-N 3.01Å; L427-I430 PolarHBondContact O-N 3.47Å; I430-I433 PolarHBondContact O-N 2.73Å; I430-I434 HydrophobicContact CG2-CD1 3.66Å; I430-I434 HydrophobicContact CG2-CG1 4.33Å; I430-I434 WeakPolarHBondContact O-CB 3.26Å; I430-I434 VanDerWaalsContact O-CG1 3.26Å; I430-I434 WeakPolarHBondContact O-CG1 3.35Å; I430-I434 PolarHBondContact O-N 2.9Å
431A91.8Very high85.1Confident53 Ų5393.9 Ų93.944%0.43849%0.489SS..Hα-helixtrans-65.1-4117700000112.7L427 W428 M429 I434 L435L427-A431 VanDerWaalsContact O-CB 3.26Å; L427-A431 WeakPolarHBondContact O-CB 3.47Å; L427-A431 PolarHBondContact O-N 2.72Å; W428-A431 PolarHBondContact O-N 2.82Å; M429-A431 VanDerWaalsContact C-N 3.32Å; M429-A431 PolarHBondContact O-N 2.93Å; A431-I434 PolarHBondContact O-N 2.85Å; A431-L435 VanDerWaalsContact O-CB 3.23Å; A431-L435 WeakPolarHBondContact O-CB 3.3Å; A431-L435 PolarHBondContact O-N 3.12Å
432T88.2Confident86.9Confident59 Ų5989.4 Ų89.436%0.36248%0.477SS..Hα-helixtrans-70.8-33.3175.954.60000112.5W428 M429 S436W428-T432 HydrophobicContact CD2-CG2 4.36Å; W428-T432 HydrophobicContact CE3-CG2 4.29Å; W428-T432 HydrophobicContact CH2-CG2 4.38Å; W428-T432 HydrophobicContact CZ2-CG2 4.44Å; W428-T432 HydrophobicContact CZ3-CG2 4.31Å; W428-T432 WeakPolarHBondContact O-CG2 3.41Å; W428-T432 PolarHBondContact O-N 3.4Å; W428-T432 PolarHBondContact O-OG1 3.35Å; M429-T432 PolarHBondContact O-N 3.09Å; M429-T432 PolarHBondContact O-OG1 2.96Å; M429-T432 VanDerWaalsContact O-OG1 3.06Å; T432-S436 WeakPolarHBondContact O-CB 3.33Å; T432-S436 PolarHBondContact O-N 3.33Å; T432-S436 PolarHBondContact O-OG 2.61Å
433I88.4Confident87.6Confident86 Ų8687.3 Ų87.344%0.44147%0.465SS..Hα-helixtrans-65.3-48170.7-70164.4000110.8M429 I430 L435 S436 I437M429-I433 WeakPolarHBondContact O-CB 3.29Å; M429-I433 WeakPolarHBondContact O-CD1 3.23Å; M429-I433 WeakPolarHBondContact O-CG1 3.43Å; M429-I433 PolarHBondContact O-N 2.87Å; I430-I433 PolarHBondContact O-N 2.73Å; I433-L435 PolarHBondContact O-N 3.12Å; I433-S436 WeakPolarHBondContact CA-OG 3.24Å; I433-S436 PolarHBondContact O-N 2.8Å; I433-S436 PolarHBondContact O-OG 2.92Å; I433-I437 HydrophobicContact CG2-CD1 3.78Å; I433-I437 VanDerWaalsContact O-CG1 3.27Å; I433-I437 WeakPolarHBondContact O-CG1 3.46Å; I433-I437 PolarHBondContact O-N 2.85Å
434I93.6Very high88.1Confident89 Ų8985.4 Ų85.446%0.45646%0.46SS..Hα-helixtrans-62.5-44.6177.4-70.2168.5000110.8I430 A431 S436 I437 L438I430-I434 HydrophobicContact CG2-CD1 3.66Å; I430-I434 HydrophobicContact CG2-CG1 4.33Å; I430-I434 WeakPolarHBondContact O-CB 3.26Å; I430-I434 VanDerWaalsContact O-CG1 3.26Å; I430-I434 WeakPolarHBondContact O-CG1 3.35Å; I430-I434 PolarHBondContact O-N 2.9Å; A431-I434 PolarHBondContact O-N 2.85Å; I434-S436 VanDerWaalsContact C-N 3.34Å; I434-S436 PolarHBondContact O-N 3.38Å; I434-I437 PolarHBondContact O-N 2.82Å; I434-L438 HydrophobicContact CG2-CD1 3.88Å; I434-L438 HydrophobicContact CG2-CG 4.33Å; I434-L438 WeakPolarHBondContact O-CB 3.26Å; I434-L438 WeakPolarHBondContact O-CG 3.33Å; I434-L438 PolarHBondContact O-N 2.93Å
435L93.1Very high88.6Confident113 Ų11389.9 Ų89.959%0.59247%0.466SS*.Hα-helixtrans-63.2-40.1179.2-174.265.1000111.7A431 I433 L438 L439A431-L435 VanDerWaalsContact O-CB 3.23Å; A431-L435 WeakPolarHBondContact O-CB 3.3Å; A431-L435 PolarHBondContact O-N 3.12Å; I433-L435 PolarHBondContact O-N 3.12Å; L435-L438 PolarHBondContact O-N 3.05Å; L435-L439 VanDerWaalsContact O-CB 3.32Å; L435-L439 WeakPolarHBondContact O-CB 3.48Å; L435-L439 PolarHBondContact O-N 3.28Å
436S87.2Confident88.9Confident25 Ų2595.8 Ų95.818%0.17548%0.482CS..Hα-helixtrans-70-37.4176.1490000112.7T432 I433 I434 L439 V440T432-S436 WeakPolarHBondContact O-CB 3.33Å; T432-S436 PolarHBondContact O-N 3.33Å; T432-S436 PolarHBondContact O-OG 2.61Å; I433-S436 WeakPolarHBondContact CA-OG 3.24Å; I433-S436 PolarHBondContact O-N 2.8Å; I433-S436 PolarHBondContact O-OG 2.92Å; I434-S436 VanDerWaalsContact C-N 3.34Å; I434-S436 PolarHBondContact O-N 3.38Å; S436-L439 PolarHBondContact O-N 3.26Å; S436-V440 WeakPolarHBondContact O-CG2 3.43Å; S436-V440 PolarHBondContact O-N 2.82Å
437I90.8Very high88.9Confident93 Ų9396.2 Ų96.248%0.47749%0.485SS..Hα-helixtrans-61.5-47.2171.1-68.9165.3000111I433 I434 L439 V440 L441I433-I437 HydrophobicContact CG2-CD1 3.78Å; I433-I437 VanDerWaalsContact O-CG1 3.27Å; I433-I437 WeakPolarHBondContact O-CG1 3.46Å; I433-I437 PolarHBondContact O-N 2.85Å; I434-I437 PolarHBondContact O-N 2.82Å; I437-L439 VanDerWaalsContact C-N 3.3Å; I437-L439 PolarHBondContact O-N 2.94Å; I437-V440 PolarHBondContact O-N 2.88Å; I437-L441 HydrophobicContact CG2-CD1 3.93Å; I437-L441 HydrophobicContact CG2-CG 4.4Å; I437-L441 WeakPolarHBondContact O-CG 3.25Å; I437-L441 PolarHBondContact O-N 2.79Å
438L93.2Very high88.4Confident96 Ų9695.5 Ų95.550%0.50348%0.481SS..Hα-helixtrans-61-38.8177-73.4171.4000112I434 L435 L441 C442I434-L438 HydrophobicContact CG2-CD1 3.88Å; I434-L438 HydrophobicContact CG2-CG 4.33Å; I434-L438 WeakPolarHBondContact O-CB 3.26Å; I434-L438 WeakPolarHBondContact O-CG 3.33Å; I434-L438 PolarHBondContact O-N 2.93Å; L435-L438 PolarHBondContact O-N 3.05Å; L438-L441 PolarHBondContact O-N 2.89Å; L438-C442 WeakPolarHBondContact O-CB 3.31Å; L438-C442 PolarHBondContact O-N 3.41Å
439L91Very high88.1Confident103 Ų10392 Ų9254%0.53948%0.481SS..Hα-helixtrans-67.7-40.5178.1-156.5156.4000111.2L435 S436 I437 C442 I443L435-L439 VanDerWaalsContact O-CB 3.32Å; L435-L439 WeakPolarHBondContact O-CB 3.48Å; L435-L439 PolarHBondContact O-N 3.28Å; S436-L439 PolarHBondContact O-N 3.26Å; I437-L439 VanDerWaalsContact C-N 3.3Å; I437-L439 PolarHBondContact O-N 2.94Å; L439-C442 PolarHBondContact O-N 3.44Å; L439-I443 HydrophobicContact CD2-CD1 3.64Å; L439-I443 HydrophobicContact CD2-CG1 4.3Å; L439-I443 WeakPolarHBondContact O-CG1 3.15Å; L439-I443 PolarHBondContact O-N 2.66Å
440V88Confident86.9Confident64 Ų6495.9 Ų95.939%0.38850%0.504SS..Hα-helixtrans-63.4-43.7171.7171.30000111.6S436 I437 I443 I444S436-V440 WeakPolarHBondContact O-CG2 3.43Å; S436-V440 PolarHBondContact O-N 2.82Å; I437-V440 PolarHBondContact O-N 2.88Å; V440-I443 PolarHBondContact O-N 3.29Å; V440-I444 HydrophobicContact CG1-CD1 3.98Å; V440-I444 WeakPolarHBondContact O-CG1 3.48Å; V440-I444 PolarHBondContact O-N 2.9Å
441L91.1Very high84.9Confident95 Ų9598 Ų9850%0.49752%0.524SS..Hα-helixtrans-63.9-40.6176.6-71.9172000112.2I437 L438 I444 Y445I437-L441 HydrophobicContact CG2-CD1 3.93Å; I437-L441 HydrophobicContact CG2-CG 4.4Å; I437-L441 WeakPolarHBondContact O-CG 3.25Å; I437-L441 PolarHBondContact O-N 2.79Å; L438-L441 PolarHBondContact O-N 2.89Å; L441-I444 PolarHBondContact O-N 3.21Å; L441-Y445 WeakPolarHBondContact O-CB 3.46Å; L441-Y445 PolarHBondContact O-N 2.88Å
442C90.4Very high82.7Confident69 Ų69104.7 Ų104.747%0.46657%0.566SS.*Hα-helixtrans-60-45.8171.1-86.70000111.7L438 L439 I444 Y445 Y446L438-C442 WeakPolarHBondContact O-CB 3.31Å; L438-C442 PolarHBondContact O-N 3.41Å; L439-C442 PolarHBondContact O-N 3.44Å; C442-I444 VanDerWaalsContact C-N 3.3Å; C442-I444 PolarHBondContact O-N 2.64Å; C442-Y445 PolarHBondContact O-N 3.37Å; C442-Y446 HydrophobicContact CB-CD2 4.49Å; C442-Y446 VanDerWaalsContact O-CD2 3.27Å; C442-Y446 WeakPolarHBondContact O-CD2 3.42Å; C442-Y446 PolarHBondContact O-N 3.33Å
443I85.7Confident82.5Confident72 Ų72107 Ų10737%0.36958%0.576SS.*Hα-helixtrans-59.5-42.2176.2-70.9168000110.7L439 V440 N447L439-I443 HydrophobicContact CD2-CD1 3.64Å; L439-I443 HydrophobicContact CD2-CG1 4.3Å; L439-I443 WeakPolarHBondContact O-CG1 3.15Å; L439-I443 PolarHBondContact O-N 2.66Å; V440-I443 PolarHBondContact O-N 3.29Å; I443-N447 WeakPolarHBondContact O-CB 3.46Å; I443-N447 PolarHBondContact O-N 3.11Å; I443-N447 VanDerWaalsContact O-N 3.16Å; I443-N447 PolarHBondContact O-ND2 3.2Å
444I86.8Confident82.2Confident89 Ų89108.1 Ų108.146%0.45658%0.583SS.*Hα-helixtrans-62.9-47.5175.7-67.6164.7000110.4V440 L441 C442 N447 L448V440-I444 HydrophobicContact CG1-CD1 3.98Å; V440-I444 WeakPolarHBondContact O-CG1 3.48Å; V440-I444 PolarHBondContact O-N 2.9Å; L441-I444 PolarHBondContact O-N 3.21Å; C442-I444 VanDerWaalsContact C-N 3.3Å; C442-I444 PolarHBondContact O-N 2.64Å; I444-N447 CarbonylContact O-C 3.55Å; I444-N447 PolarHBondContact O-N 3.22Å; I444-L448 HydrophobicContact CG2-CD1 4.19Å; I444-L448 PolarHBondContact O-N 2.94Å
445Y89.3Confident81.5Confident176 Ų176109.2 Ų109.269%0.6959%0.59SS**Hα-helixtrans-61.9-46.2-179.2-172.7-92.9000113L441 C442 N447 L448L441-Y445 WeakPolarHBondContact O-CB 3.46Å; L441-Y445 PolarHBondContact O-N 2.88Å; C442-Y445 PolarHBondContact O-N 3.37Å; Y445-N447 PolarHBondContact O-N 2.83Å; Y445-L448 WeakPolarHBondContact O-CB 3.43Å; Y445-L448 PolarHBondContact O-N 2.75Å
446Y87Confident80.8Confident191 Ų191108.9 Ų108.975%0.74959%0.59SS**Hα-helixtrans-70.1-18.4176.6-80.2-72.7000113.8C442C442-Y446 HydrophobicContact CB-CD2 4.49Å; C442-Y446 VanDerWaalsContact O-CD2 3.27Å; C442-Y446 WeakPolarHBondContact O-CD2 3.42Å; C442-Y446 PolarHBondContact O-N 3.33Å
447N84.3Confident80.4Confident99 Ų99114.2 Ų114.253%0.52962%0.616SS.*Hα-helixtrans-98.1-2174-75.7-81000113.6I443 I444 Y445 P449I443-N447 WeakPolarHBondContact O-CB 3.46Å; I443-N447 PolarHBondContact O-N 3.11Å; I443-N447 VanDerWaalsContact O-N 3.16Å; I443-N447 PolarHBondContact O-ND2 3.2Å; I444-N447 CarbonylContact O-C 3.55Å; I444-N447 PolarHBondContact O-N 3.22Å; Y445-N447 PolarHBondContact O-N 2.83Å; N447-P449 VanDerWaalsContact O-CD 3.24Å; N447-P449 WeakPolarHBondContact O-CD 3.33Å
448L76.5Confident79.7Confident102 Ų102115.6 Ų115.653%0.53463%0.625SS.*SBendtrans-69.1112.7164-93.7135.2000106.9I444 Y445 N450I444-L448 HydrophobicContact CG2-CD1 4.19Å; I444-L448 PolarHBondContact O-N 2.94Å; Y445-L448 WeakPolarHBondContact O-CB 3.43Å; Y445-L448 PolarHBondContact O-N 2.75Å; L448-N450 PolarHBondContact O-N 3.49Å
449P78.4Confident78.8Confident104 Ų104117 Ų11768%0.67563%0.634SS**  trans-61.2135.6175.827.3-33.5000108.3N447 C451N447-P449 VanDerWaalsContact O-CD 3.24Å; N447-P449 WeakPolarHBondContact O-CD 3.33Å; P449-C451 PolarHBondContact O-N 2.89Å
450N59.5Low77.8Confident159 Ų159118.1 Ų118.185%0.8564%0.641SS**  trans-48112.8176.5-80.8-28.7000109.6L448 C452L448-N450 PolarHBondContact O-N 3.49Å; N450-C452 VanDerWaalsContact C-N 3.34Å; N450-C452 PolarHBondContact O-N 3.13Å
451C48.1Very low77Confident121 Ų121122.6 Ų122.682%0.81866%0.662SS**  trans-76.991.5170.9-67.90000108P449P449-C451 PolarHBondContact O-N 2.89Å
452C46.8Very low75.7Confident194 Ų194125.1 Ų125.1100%1.31168%0.677SS**  trans-131.70160.4-74.20000107N450N450-C452 VanDerWaalsContact C-N 3.34Å; N450-C452 PolarHBondContact O-N 3.13Å

Retrieved 452 of 452 residues in 363.7 ms (Link to these results)

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