A0A5K4EPP1_SCHMA Loading...

Septate junction protein

AlphaFold DB , UniProt , Accession A0A5K4EPP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 530 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M39.6Very low58.6Low221 Ų221128.2 Ų128.2100%1.08968%0.681SS**  0-160-90.9-166.8171.300114.7S3M1-S3 PolarHBondContact O-N 3.11Å
2S48.4Very low60.1Low112 Ų112123.2 Ų123.278%0.78366%0.664SS**THydrogen-bonded Turntrans-83.6-1.9-174.156.30000116.5
3S48.6Very low61.6Low110 Ų110125.3 Ų125.377%0.76966%0.664SS**THydrogen-bonded Turntrans-96.8-2.2-176.661.40000115.3M1M1-S3 PolarHBondContact O-N 3.11Å
4L48Very low62.9Low154 Ų154124 Ų12481%0.80666%0.657SS**SBendtrans-113.25.2-171.6-92.3140.5000115.3
5L49.3Very low64Low94 Ų94122.7 Ų122.749%0.49265%0.649SS.*  trans-100.798.5-178.7-81.8143.5000110.6T9L5-T9 WeakPolarHBondContact CB-OG1 3.12Å; L5-T9 HydrophobicContact CD2-CG2 4.02Å; L5-T9 VanDerWaalsContact CD2-OG1 3.28Å; L5-T9 WeakPolarHBondContact CD2-OG1 3.03Å
6N64.2Low65.3Low122 Ų122119.6 Ų119.665%0.65264%0.64SS**  trans-52142.3176.2-164.8-2.3000111N8 T9N6-N8 PolarHBondContact O-N 2.77Å; N6-T9 PolarHBondContact O-N 3.49Å; N6-T9 PolarHBondContact O-OG1 3.28Å
7K64.4Low66.2Low175 Ų175120.4 Ų120.476%0.76164%0.637SS**Hα-helixtrans-45.7-34.1-169.5-86.6179.6174.6177.80114.8T9 K10 L11K7-T9 VanDerWaalsContact C-N 3.3Å; K7-T9 PolarHBondContact O-N 3.15Å; K7-K10 PolarHBondContact O-N 3.2Å; K7-L11 PolarHBondContact O-N 3.33Å
8N67Low67Low128 Ų128119.2 Ų119.268%0.68463%0.63SS**Hα-helixtrans-64.4-31.9179.1-68-4.1000113.3N6 L11 S12N6-N8 PolarHBondContact O-N 2.77Å; N8-L11 PolarHBondContact O-N 2.67Å; N8-S12 PolarHBondContact O-N 3.11Å
9T69.1Low67.8Low50 Ų50122.2 Ų122.231%0.30763%0.632SS.*Hα-helixtrans-70.9-38.7176.857.70000111.9L5 N6 K7 L11 S12 F13L5-T9 WeakPolarHBondContact CB-OG1 3.12Å; L5-T9 HydrophobicContact CD2-CG2 4.02Å; L5-T9 VanDerWaalsContact CD2-OG1 3.28Å; L5-T9 WeakPolarHBondContact CD2-OG1 3.03Å; N6-T9 PolarHBondContact O-N 3.49Å; N6-T9 PolarHBondContact O-OG1 3.28Å; K7-T9 VanDerWaalsContact C-N 3.3Å; K7-T9 PolarHBondContact O-N 3.15Å; T9-L11 VanDerWaalsContact C-N 3.33Å; T9-L11 PolarHBondContact O-N 3.5Å; T9-S12 PolarHBondContact O-N 2.9Å; T9-F13 WeakPolarHBondContact O-CD2 3.44Å; T9-F13 PolarHBondContact O-N 2.91Å
10K69.8Low68.5Low141 Ų141121.6 Ų121.661%0.61363%0.629SS**Hα-helixtrans-62.8-39.6174.3-73-174.3178.6-178.90112.1K7 F13 L14K7-K10 PolarHBondContact O-N 3.2Å; K10-F13 PolarHBondContact O-N 2.86Å; K10-L14 WeakPolarHBondContact O-CB 3.49Å; K10-L14 PolarHBondContact O-N 3.15Å
11L76.1Confident69.1Low103 Ų103119.8 Ų119.854%0.53962%0.62SS.*Hα-helixtrans-67.8-40.8177-168.769000111.6K7 N8 T9 L14 L15K7-L11 PolarHBondContact O-N 3.33Å; N8-L11 PolarHBondContact O-N 2.67Å; T9-L11 VanDerWaalsContact C-N 3.33Å; T9-L11 PolarHBondContact O-N 3.5Å; L11-L14 PolarHBondContact O-N 3.4Å; L11-L15 HydrophobicContact CG-CD1 4.19Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.27Å; L11-L15 PolarHBondContact O-N 2.7Å
12S76.9Confident70.9Confident68 Ų68113.9 Ų113.948%0.47659%0.592SS.*Hα-helixtrans-61.9-43175.2175.10000112.3N8 T9 L15 C16N8-S12 PolarHBondContact O-N 3.11Å; T9-S12 PolarHBondContact O-N 2.9Å; S12-L15 PolarHBondContact O-N 2.92Å; S12-C16 PolarHBondContact O-N 3.01Å
13F79.6Confident72.4Confident151 Ų151112.1 Ų112.166%0.66257%0.573SS**Hα-helixtrans-63.1-41.7174.5-92.9-78.9000112.4T9 K10 C16 F17T9-F13 WeakPolarHBondContact O-CD2 3.44Å; T9-F13 PolarHBondContact O-N 2.91Å; K10-F13 PolarHBondContact O-N 2.86Å; F13-C16 PolarHBondContact O-N 2.92Å; F13-F17 WeakPolarHBondContact O-CB 3.46Å; F13-F17 PolarHBondContact O-N 2.74Å
14L79Confident73.7Confident107 Ų107114.9 Ų114.956%0.5657%0.568SS**Hα-helixtrans-63.1-42.3177.1-161.188.2000111.5K10 L11 F17 L18K10-L14 WeakPolarHBondContact O-CB 3.49Å; K10-L14 PolarHBondContact O-N 3.15Å; L11-L14 PolarHBondContact O-N 3.4Å; L14-F17 PolarHBondContact O-N 2.97Å; L14-L18 HydrophobicContact CD2-CD1 4.5Å; L14-L18 HydrophobicContact CG-CD1 4.47Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 2.72Å
15L80.6Confident74.8Confident104 Ų104110.8 Ų110.855%0.54555%0.552SS.*Hα-helixtrans-66-41.8177.1-72.6167.7000111.8L11 S12 F17 L18 W19L11-L15 HydrophobicContact CG-CD1 4.19Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.27Å; L11-L15 PolarHBondContact O-N 2.7Å; S12-L15 PolarHBondContact O-N 2.92Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 2.71Å; L15-L18 PolarHBondContact O-N 2.96Å; L15-W19 WeakPolarHBondContact O-CB 3.39Å; L15-W19 PolarHBondContact O-N 2.85Å
16C83.7Confident76Confident74 Ų74111.1 Ų111.150%0.555%0.553SS.*Hα-helixtrans-61.2-41.1172.8-86.30000112.1S12 F13 W19 L20S12-C16 PolarHBondContact O-N 3.01Å; F13-C16 PolarHBondContact O-N 2.92Å; C16-W19 PolarHBondContact O-N 3.06Å; C16-L20 WeakPolarHBondContact O-CG 3.46Å; C16-L20 PolarHBondContact O-N 2.99Å
17F81.3Confident76.3Confident133 Ų133109.8 Ų109.858%0.58355%0.547SS*.Hα-helixtrans-66.4-43.3179.4-159-96.4000111.7F13 L14 L15 W19 L20 I21F13-F17 WeakPolarHBondContact O-CB 3.46Å; F13-F17 PolarHBondContact O-N 2.74Å; L14-F17 PolarHBondContact O-N 2.97Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 2.71Å; F17-W19 VanDerWaalsContact C-N 3.29Å; F17-W19 PolarHBondContact O-N 2.98Å; F17-L20 PolarHBondContact O-N 3.46Å; F17-I21 HydrophobicContact CD1-CD1 3.67Å; F17-I21 HydrophobicContact CD1-CG1 4.4Å; F17-I21 HydrophobicContact CE1-CD1 3.7Å; F17-I21 HydrophobicContact CE1-CG1 4.38Å; F17-I21 WeakPolarHBondContact O-CG1 3.44Å; F17-I21 PolarHBondContact O-N 3.35Å; F17-I21 VanDerWaalsContact O-N 3.08Å
18L79.9Confident76.3Confident99 Ų99105.4 Ų105.452%0.51853%0.531SS..Hα-helixtrans-63.8-35.2174.2-71.3170.3000112.1L14 L15 N22L14-L18 HydrophobicContact CD2-CD1 4.5Å; L14-L18 HydrophobicContact CG-CD1 4.47Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 2.72Å; L15-L18 PolarHBondContact O-N 2.96Å; L18-N22 WeakPolarHBondContact O-CB 3.29Å; L18-N22 PolarHBondContact O-N 3.08Å
19W83.2Confident76Confident175 Ų175105.7 Ų105.766%0.66353%0.528SS*.Hα-helixtrans-67.9-40.8176.9-161.273.4000112.1L15 C16 F17 N22 I23L15-W19 WeakPolarHBondContact O-CB 3.39Å; L15-W19 PolarHBondContact O-N 2.85Å; C16-W19 PolarHBondContact O-N 3.06Å; F17-W19 VanDerWaalsContact C-N 3.29Å; F17-W19 PolarHBondContact O-N 2.98Å; W19-N22 PolarHBondContact O-N 3.01Å; W19-I23 HydrophobicContact CD2-CD1 3.82Å; W19-I23 HydrophobicContact CE3-CD1 3.42Å; W19-I23 VanDerWaalsContact CE3-CD1 3.42Å; W19-I23 HydrophobicContact CH2-CD1 3.53Å; W19-I23 HydrophobicContact CZ2-CD1 3.9Å; W19-I23 HydrophobicContact CZ3-CD1 3.28Å; W19-I23 WeakPolarHBondContact O-CG1 3.4Å; W19-I23 PolarHBondContact O-N 2.83Å
20L82.6Confident75.7Confident110 Ų110109.7 Ų109.758%0.57654%0.541SS*.Hα-helixtrans-64.2-42.1174.4-73.9170.7000112.5C16 F17 N22 I23 Y24C16-L20 WeakPolarHBondContact O-CG 3.46Å; C16-L20 PolarHBondContact O-N 2.99Å; F17-L20 PolarHBondContact O-N 3.46Å; L20-N22 VanDerWaalsContact C-N 3.27Å; L20-N22 PolarHBondContact O-N 3.02Å; L20-I23 PolarHBondContact O-N 3.14Å; L20-Y24 WeakPolarHBondContact O-CB 3.31Å; L20-Y24 PolarHBondContact O-N 2.78Å
21I79.9Confident75.1Confident84 Ų84107.9 Ų107.943%0.43154%0.538SS..Hα-helixtrans-59.8-41.6174.2-68.4166.3000110.4F17 Y24 C25F17-I21 HydrophobicContact CD1-CD1 3.67Å; F17-I21 HydrophobicContact CD1-CG1 4.4Å; F17-I21 HydrophobicContact CE1-CD1 3.7Å; F17-I21 HydrophobicContact CE1-CG1 4.38Å; F17-I21 WeakPolarHBondContact O-CG1 3.44Å; F17-I21 PolarHBondContact O-N 3.35Å; F17-I21 VanDerWaalsContact O-N 3.08Å; I21-Y24 PolarHBondContact O-N 3.27Å; I21-C25 WeakPolarHBondContact O-CB 3.31Å; I21-C25 PolarHBondContact O-N 2.96Å; I21-C25 PolarHBondContact O-SG 3.41Å
22N77.8Confident74.2Confident97 Ų97108 Ų10852%0.51954%0.538SS..Hα-helixtrans-67.7-40.7-178.8-153.8-17.9000112.1L18 W19 L20 Y24 C25 L26L18-N22 WeakPolarHBondContact O-CB 3.29Å; L18-N22 PolarHBondContact O-N 3.08Å; W19-N22 PolarHBondContact O-N 3.01Å; L20-N22 VanDerWaalsContact C-N 3.27Å; L20-N22 PolarHBondContact O-N 3.02Å; N22-Y24 VanDerWaalsContact C-N 3.33Å; N22-Y24 PolarHBondContact O-N 3.29Å; N22-C25 PolarHBondContact O-N 2.78Å; N22-L26 WeakPolarHBondContact O-CB 3.35Å; N22-L26 WeakPolarHBondContact O-CG 3.48Å; N22-L26 PolarHBondContact O-N 3.33Å
23I80Confident72.9Confident75 Ų75111.4 Ų111.439%0.38554%0.541SS..Hα-helixtrans-60.9-44.5172.9-69.6171.3000110.9W19 L20 L26 D27W19-I23 HydrophobicContact CD2-CD1 3.82Å; W19-I23 HydrophobicContact CE3-CD1 3.42Å; W19-I23 VanDerWaalsContact CE3-CD1 3.42Å; W19-I23 HydrophobicContact CH2-CD1 3.53Å; W19-I23 HydrophobicContact CZ2-CD1 3.9Å; W19-I23 HydrophobicContact CZ3-CD1 3.28Å; W19-I23 WeakPolarHBondContact O-CG1 3.4Å; W19-I23 PolarHBondContact O-N 2.83Å; L20-I23 PolarHBondContact O-N 3.14Å; I23-L26 PolarHBondContact O-N 2.91Å; I23-D27 PolarHBondContact O-N 2.87Å
24Y75.3Confident71.4Confident168 Ų168108.5 Ų108.566%0.65953%0.532SS*.Hα-helixtrans-65.9-40.2-179.8-154.5-99.2000112.1L20 I21 N22 D27 I28L20-Y24 WeakPolarHBondContact O-CB 3.31Å; L20-Y24 PolarHBondContact O-N 2.78Å; I21-Y24 PolarHBondContact O-N 3.27Å; N22-Y24 VanDerWaalsContact C-N 3.33Å; N22-Y24 PolarHBondContact O-N 3.29Å; Y24-D27 PolarHBondContact O-N 2.66Å; Y24-I28 HydrophobicContact CD1-CD1 3.75Å; Y24-I28 HydrophobicContact CD1-CG1 4.42Å; Y24-I28 HydrophobicContact CE1-CD1 3.8Å; Y24-I28 HydrophobicContact CE1-CG1 4.42Å; Y24-I28 WeakPolarHBondContact O-CG1 3.37Å; Y24-I28 PolarHBondContact O-N 2.86Å; Y24-I28 VanDerWaalsContact O-N 3.1Å
25C72.1Confident70Confident68 Ų68108.6 Ų108.646%0.45953%0.533SS..Hα-helixtrans-63.4-39.6173.3-79.10000112.6I21 N22 D27 Q29I21-C25 WeakPolarHBondContact O-CB 3.31Å; I21-C25 PolarHBondContact O-N 2.96Å; I21-C25 PolarHBondContact O-SG 3.41Å; N22-C25 PolarHBondContact O-N 2.78Å; C25-D27 VanDerWaalsContact C-N 3.34Å; C25-Q29 WeakPolarHBondContact O-CB 3.29Å; C25-Q29 PolarHBondContact O-N 3.08Å
26L73.2Confident68Low101 Ų101108.5 Ų108.553%0.52953%0.534SS..Hα-helixtrans-65.9-36.3176.7-76.2168.4000112.2N22 I23 Q29 K30N22-L26 WeakPolarHBondContact O-CB 3.35Å; N22-L26 WeakPolarHBondContact O-CG 3.48Å; N22-L26 PolarHBondContact O-N 3.33Å; I23-L26 PolarHBondContact O-N 2.91Å; L26-Q29 PolarHBondContact O-N 2.83Å; L26-K30 WeakPolarHBondContact O-CB 3.35Å; L26-K30 PolarHBondContact O-N 2.84Å
27D71.5Confident65.6Low95 Ų95112.6 Ų112.651%0.50854%0.538SS..Hα-helixtrans-67.7-45.4177.6-15030.8000111.3I23 Y24 C25 Q29 K30 D31I23-D27 PolarHBondContact O-N 2.87Å; Y24-D27 PolarHBondContact O-N 2.66Å; C25-D27 VanDerWaalsContact C-N 3.34Å; D27-Q29 VanDerWaalsContact C-N 3.29Å; D27-Q29 PolarHBondContact O-N 2.89Å; D27-K30 WeakPolarHBondContact O-CB 3.23Å; D27-K30 PolarHBondContact O-N 3.42Å; D27-K30 VanDerWaalsContact O-N 3.09Å; D27-D31 PolarHBondContact O-N 2.85Å
28I65Low63.4Low83 Ų83113 Ų11343%0.42655%0.547SS..Hα-helixtrans-58.9-42173.1-66.6169.5000111Y24 K30 D31 I32Y24-I28 HydrophobicContact CD1-CD1 3.75Å; Y24-I28 HydrophobicContact CD1-CG1 4.42Å; Y24-I28 HydrophobicContact CE1-CD1 3.8Å; Y24-I28 HydrophobicContact CE1-CG1 4.42Å; Y24-I28 WeakPolarHBondContact O-CG1 3.37Å; Y24-I28 PolarHBondContact O-N 2.86Å; Y24-I28 VanDerWaalsContact O-N 3.1Å; I28-K30 VanDerWaalsContact C-N 3.3Å; I28-K30 PolarHBondContact O-N 3.11Å; I28-D31 PolarHBondContact O-N 2.8Å; I28-I32 HydrophobicContact CG2-CD1 3.86Å; I28-I32 VanDerWaalsContact O-CG1 3.26Å; I28-I32 WeakPolarHBondContact O-CG1 3.36Å; I28-I32 PolarHBondContact O-N 2.7Å
29Q60.3Low61.3Low133 Ų133114.2 Ų114.262%0.62155%0.552SS**Hα-helixtrans-67.3-32.6178.9-166.6172.7-26.400112C25 L26 D27 Y33C25-Q29 WeakPolarHBondContact O-CB 3.29Å; C25-Q29 PolarHBondContact O-N 3.08Å; L26-Q29 PolarHBondContact O-N 2.83Å; D27-Q29 VanDerWaalsContact C-N 3.29Å; D27-Q29 PolarHBondContact O-N 2.89Å; Q29-Y33 WeakPolarHBondContact O-CB 3.14Å; Q29-Y33 PolarHBondContact O-N 2.87Å
30K61.6Low58.8Low134 Ų134110.1 Ų110.158%0.58355%0.55SS**Hα-helixtrans-70-40.5175.5-159.8-179.2-178-173.80111.8L26 D27 I28 Y33 L34L26-K30 WeakPolarHBondContact O-CB 3.35Å; L26-K30 PolarHBondContact O-N 2.84Å; D27-K30 WeakPolarHBondContact O-CB 3.23Å; D27-K30 PolarHBondContact O-N 3.42Å; D27-K30 VanDerWaalsContact O-N 3.09Å; I28-K30 VanDerWaalsContact C-N 3.3Å; I28-K30 PolarHBondContact O-N 3.11Å; K30-Y33 PolarHBondContact O-N 2.86Å; K30-L34 HydrophobicContact CG-CD1 4.24Å; K30-L34 WeakPolarHBondContact O-CB 3.23Å; K30-L34 WeakPolarHBondContact O-CG 3.4Å; K30-L34 PolarHBondContact O-N 2.78Å
31D57.6Low56.3Low103 Ų103111 Ų11155%0.55156%0.56SS**Hα-helixtrans-64.3-39.7173.7-86.3-10.4000112.1D27 I28 N35D27-D31 PolarHBondContact O-N 2.85Å; I28-D31 PolarHBondContact O-N 2.8Å; D31-N35 WeakPolarHBondContact O-CB 3.43Å; D31-N35 PolarHBondContact O-N 2.97Å; D31-N35 VanDerWaalsContact O-N 3.1Å
32I56.4Low53.9Low106 Ų106114.3 Ų114.354%0.54458%0.578SS.*Hα-helixtrans-63.5-45.2173.1-66.6166.1000110.4I28 N35 D36I28-I32 HydrophobicContact CG2-CD1 3.86Å; I28-I32 VanDerWaalsContact O-CG1 3.26Å; I28-I32 WeakPolarHBondContact O-CG1 3.36Å; I28-I32 PolarHBondContact O-N 2.7Å; I32-N35 PolarHBondContact O-N 3.13Å; I32-D36 PolarHBondContact O-N 3.01Å
33Y50.2Low51.5Low139 Ų139119.1 Ų119.155%0.54560%0.597SS.*Hα-helixtrans-70.5-34.1-177.5-163.4-95.9000113.4Q29 K30 D36 R37Q29-Y33 WeakPolarHBondContact O-CB 3.14Å; Q29-Y33 PolarHBondContact O-N 2.87Å; K30-Y33 PolarHBondContact O-N 2.86Å; Y33-D36 PolarHBondContact O-N 3.07Å; Y33-R37 HydrophobicContact CE1-CG 4.4Å; Y33-R37 PolarHBondContact O-N 2.95Å; Y33-R37 VanDerWaalsContact O-N 3.1Å
34L49.3Very low49.3Very low91 Ų91121.5 Ų121.548%0.47662%0.615SS.*Hα-helixtrans-70-36.9174.1-75.3167.9000111.8K30 D36 R37 N38K30-L34 HydrophobicContact CG-CD1 4.24Å; K30-L34 WeakPolarHBondContact O-CB 3.23Å; K30-L34 WeakPolarHBondContact O-CG 3.4Å; K30-L34 PolarHBondContact O-N 2.78Å; L34-D36 VanDerWaalsContact C-N 3.32Å; L34-R37 PolarHBondContact O-N 2.83Å; L34-N38 PolarHBondContact O-N 2.94Å
35N48.8Very low47.1Very low109 Ų109119.2 Ų119.258%0.58361%0.614SS**Hα-helixtrans-64.1-36.8171.1-94.1-15.1000112.2D31 I32 N38 I39D31-N35 WeakPolarHBondContact O-CB 3.43Å; D31-N35 PolarHBondContact O-N 2.97Å; D31-N35 VanDerWaalsContact O-N 3.1Å; I32-N35 PolarHBondContact O-N 3.13Å; N35-N38 PolarHBondContact O-N 2.87Å; N35-I39 WeakPolarHBondContact O-CD1 3.46Å; N35-I39 VanDerWaalsContact O-CG1 3.27Å; N35-I39 WeakPolarHBondContact O-CG1 3.32Å; N35-I39 PolarHBondContact O-N 2.79Å
36D37.9Very low45.4Very low102 Ų102121.1 Ų121.155%0.54563%0.626SS.*Hα-helixtrans-70.9-34.8179.1-126.27.5000112.7I32 Y33 L34 I39 S40I32-D36 PolarHBondContact O-N 3.01Å; Y33-D36 PolarHBondContact O-N 3.07Å; L34-D36 VanDerWaalsContact C-N 3.32Å; D36-I39 PolarHBondContact O-N 3.04Å; D36-I39 VanDerWaalsContact O-N 3.16Å; D36-S40 PolarHBondContact O-N 2.73Å; D36-S40 PolarHBondContact O-OG 3.28Å
37R33.8Very low43.6Very low160 Ų160125.3 Ų125.360%0.60464%0.64SS**Hα-helixtrans-67.7-34.5173.7-86.8-164.9179.3-167.91.8113.2Y33 L34 I39 S40Y33-R37 HydrophobicContact CE1-CG 4.4Å; Y33-R37 PolarHBondContact O-N 2.95Å; Y33-R37 VanDerWaalsContact O-N 3.1Å; L34-R37 PolarHBondContact O-N 2.83Å; R37-I39 PolarHBondContact O-N 3.3Å; R37-S40 PolarHBondContact O-N 2.76Å; R37-S40 PolarHBondContact O-OG 2.9Å
38N35.8Very low41.7Very low141 Ų141123.7 Ų123.775%0.75464%0.64SS**THydrogen-bonded Turntrans-71.5-9.9173.9-75.4-11.3000113.3L34 N35L34-N38 PolarHBondContact O-N 2.94Å; N35-N38 PolarHBondContact O-N 2.87Å
39I35.9Very low40.1Very low125 Ų125125 Ų12564%0.64165%0.648SS**THydrogen-bonded Turntrans-99.3-14.9179.6-67.4167.9000112.6N35 D36 R37 V41N35-I39 WeakPolarHBondContact O-CD1 3.46Å; N35-I39 VanDerWaalsContact O-CG1 3.27Å; N35-I39 WeakPolarHBondContact O-CG1 3.32Å; N35-I39 PolarHBondContact O-N 2.79Å; D36-I39 PolarHBondContact O-N 3.04Å; D36-I39 VanDerWaalsContact O-N 3.16Å; R37-I39 PolarHBondContact O-N 3.3Å; I39-V41 PolarHBondContact O-N 2.77Å
40S30.5Very low39.3Very low89 Ų89123.6 Ų123.662%0.62265%0.65SS**SBendtrans-89.34.4-174.744.80000116D36 R37D36-S40 PolarHBondContact O-N 2.73Å; D36-S40 PolarHBondContact O-OG 3.28Å; R37-S40 PolarHBondContact O-N 2.76Å; R37-S40 PolarHBondContact O-OG 2.9Å
41V28.9Very low38Very low127 Ų127120.8 Ų120.877%0.7765%0.647SS**  trans-114.561172.7-165.30000111I39I39-V41 PolarHBondContact O-N 2.77Å
42L30.3Very low36.6Very low155 Ų155121.4 Ų121.481%0.81265%0.651SS**  trans-134.780.5155.5-83.5167.1000107.4V44L42-V44 PolarHBondContact O-N 2.97Å
43Q27.8Very low35.4Very low197 Ų197126.3 Ų126.392%0.92166%0.664SS**  trans-62.6100.9165.1-80-177.1-65.700108.1N45Q43-N45 PolarHBondContact O-N 3.2Å
44V33.1Very low34.4Very low125 Ų125126.4 Ų126.476%0.75867%0.672SS**  trans-72.3112167.8179.80000106.9L42 P46L42-V44 PolarHBondContact O-N 2.97Å; V44-P46 VanDerWaalsContact O-CD 3.31Å; V44-P46 WeakPolarHBondContact O-CD 3.42Å
45N29Very low33.2Very low121 Ų121127.9 Ų127.965%0.64769%0.685SS**  trans-68.3115.9178.3-155.1-1.1000109Q43 F47Q43-N45 PolarHBondContact O-N 3.2Å; N45-F47 PolarHBondContact O-N 2.96Å; N45-F47 VanDerWaalsContact O-N 3.12Å
46P37.7Very low32.2Very low108 Ų108130.8 Ų130.870%0.70170%0.695SS**THydrogen-bonded Turntrans-73.8-2.1-170.4-11.926.2000115V44V44-P46 VanDerWaalsContact O-CD 3.31Å; V44-P46 WeakPolarHBondContact O-CD 3.42Å
47F34.6Very low31.4Very low188 Ų188132.9 Ų132.983%0.82571%0.712SS**THydrogen-bonded Turntrans-108.48.4-174-64.4-76000114.2N45 N49N45-F47 PolarHBondContact O-N 2.96Å; N45-F47 VanDerWaalsContact O-N 3.12Å; F47-N49 PolarHBondContact O-N 2.87Å
48A31.1Very low31.1Very low62 Ų62129.6 Ų129.651%0.51270%0.704SS.*  trans-80.7115.4174.300000110.5
49N31.7Very low30.5Very low111 Ų111132 Ų13259%0.59471%0.708SS**  trans-72.1142.5177.4-139.40.1000109.6F47 S51 D52F47-N49 PolarHBondContact O-N 2.87Å; N49-S51 PolarHBondContact O-N 2.86Å; N49-D52 PolarHBondContact O-N 2.83Å
50P42.6Very low30.2Very low103 Ų103131.3 Ų131.367%0.66971%0.71SS**THydrogen-bonded Turntrans-68-5.9-169.8-1527.9000115.2
51S34.5Very low30.1Very low74 Ų74135.2 Ų135.252%0.51772%0.715SS.*THydrogen-bonded Turntrans-74.8-23.5177.150.10000113.5N49 Y53 I54N49-S51 PolarHBondContact O-N 2.86Å; S51-Y53 VanDerWaalsContact C-N 3.28Å; S51-Y53 PolarHBondContact O-N 2.91Å; S51-I54 PolarHBondContact O-N 2.77Å
52D29.1Very low30.2Very low117 Ų117140.7 Ų140.763%0.62672%0.722SS**THydrogen-bonded Turntrans-84.1-2.8-167.5-66.2-5.3000113.7N49N49-D52 PolarHBondContact O-N 2.83Å
53Y31.8Very low30.3Very low209 Ų209139.4 Ų139.482%0.8272%0.715SS**THydrogen-bonded Turntrans-107.77.3174.1-80.8-79.4000114.1S51S51-Y53 VanDerWaalsContact C-N 3.28Å; S51-Y53 PolarHBondContact O-N 2.91Å
54I28.3Very low30.3Very low141 Ų141136.6 Ų136.672%0.72371%0.707SS**  trans-117.860.9177.3-43.7179.4000109.9S51S51-I54 PolarHBondContact O-N 2.77Å
55T23.8Very low30.6Very low121 Ų121136.9 Ų136.974%0.74270%0.698SS**  trans-13272162.845.20000109.6
56E27.3Very low30.8Very low170 Ų170135.9 Ų135.979%0.79470%0.7SS**SBendtrans-160.7119.7143-111.4168.4-166.200107.7M58E56-M58 VanDerWaalsContact C-N 3.32Å; E56-M58 PolarHBondContact O-N 3.47Å
57T22.7Very low30.4Very low147 Ų147139.8 Ų139.890%0.90271%0.706SS**  trans-64.485-176.448.40000110.6K59T57-K59 PolarHBondContact O-N 2.87Å
58M26.1Very low30.2Very low90 Ų90139.4 Ų139.444%0.44371%0.712SS.*  trans-74.9119.6172-70.6-167.6-171.300110E56 V60 G184 V187E56-M58 VanDerWaalsContact C-N 3.32Å; E56-M58 PolarHBondContact O-N 3.47Å; M58-V60 PolarHBondContact O-N 3.02Å; M58-G184 WeakPolarHBondContact CE-O 3.4Å; M58-V187 HydrophobicContact SD-CG2 4.18Å
59K24.2Very low30Very low192 Ų192141.1 Ų141.184%0.83572%0.72SS**  trans-63.2104.6178.2-72.4176.5179.11720110.2T57 K61T57-K59 PolarHBondContact O-N 2.87Å; K59-K61 PolarHBondContact O-N 2.8Å; K59-K61 VanDerWaalsContact O-N 3.07Å
60V30Very low30.1Very low111 Ų111143.4 Ų143.467%0.67373%0.732SS**  trans-67.4103.6167.6-179.90000108.2M58 R62M58-V60 PolarHBondContact O-N 3.02Å; V60-R62 PolarHBondContact O-N 3.14Å
61K28Very low29.5Very low170 Ų170143.8 Ų143.874%0.73974%0.738SS**  trans-75.7107.1178.8-156.5174-175.6177.90109K59 L63K59-K61 PolarHBondContact O-N 2.8Å; K59-K61 VanDerWaalsContact O-N 3.07Å; K61-L63 PolarHBondContact O-N 3.05Å
62R31.1Very low29.4Very low243 Ų243147.9 Ų147.992%0.91775%0.753SS**  trans-66.4114.3171.3-134.3177.1-170.1171.12.5108V60V60-R62 PolarHBondContact O-N 3.14Å
63L31.6Very low29.3Very low127 Ų127152.4 Ų152.467%0.66577%0.767SS**  trans-72.8134.3-176.9-133.398.2000110.7K61K61-L63 PolarHBondContact O-N 3.05Å
64N27.5Very low29Very low139 Ų139146.3 Ų146.374%0.74376%0.755SS**  trans-88128-177.2-149.4-4.4000110.2S66N64-S66 PolarHBondContact O-N 3.19Å
65K39.4Very low29.1Very low130 Ų130148.9 Ų148.957%0.56576%0.764SS**G310 helixtrans-69.2-0.3-166.3-76.1-176.6173.1-1730116.6K67 Q88 D90K65-K67 PolarHBondContact O-N 2.76Å; K65-Q88 PolarHBondContact NZ-O 3.35Å; K65-D90 VanDerWaalsContact CE-CG 3.49Å; K65-D90 WeakPolarHBondContact CE-OD1 3.47Å; K65-D90 WeakPolarHBondContact CE-OD2 3.27Å; K65-D90 IonicContact NZ-OD1 3.53Å; K65-D90 PolarHBondContact NZ-OD1 3.17Å; K65-D90 IonicContact NZ-OD2 3.1Å; K65-D90 PolarHBondContact NZ-OD2 3.22Å
66S33.8Very low29.3Very low100 Ų100148.4 Ų148.470%0.69977%0.765SS**G310 helixtrans-91.88.5-169.359.70000116.5N64N64-S66 PolarHBondContact O-N 3.19Å
67K28.9Very low29.3Very low191 Ų191147.8 Ų147.883%0.8377%0.767SS**G310 helixtrans-12510.8177.5-77.8-171.2177.8-1790116.5K65 S69K65-K67 PolarHBondContact O-N 2.76Å; K67-S69 PolarHBondContact O-N 3.03Å; K67-S69 VanDerWaalsContact O-N 3.1Å
68L31Very low29.7Very low180 Ų180150.8 Ų150.894%0.94277%0.77SS**  trans-87.460164.8-150.975000110
69S26.3Very low30.1Very low98 Ų98157.9 Ų157.969%0.68579%0.792SS**  trans-96.3110.1174.8160.60000109K67K67-S69 PolarHBondContact O-N 3.03Å; K67-S69 VanDerWaalsContact O-N 3.1Å
70N34Very low31.3Very low159 Ų159153.2 Ų153.285%0.8577%0.769SS**SBendtrans37.385.7152.5-68.8-19.7000117.8
71S30.9Very low32.2Very low111 Ų111151.7 Ų151.778%0.77678%0.776SS**  trans-17294.8142.5-176.70000109
72L31.3Very low33.7Very low160 Ų160145.2 Ų145.284%0.83875%0.749SS**  trans17351.7154.6-90.3147.7000108.7
73K27.8Very low34.9Very low212 Ų212139 Ų13992%0.92273%0.733SS**  trans-96.371.2153.1-86.3-174.6176.1178.30106.9
74S26Very low36.4Very low81 Ų81137.4 Ų137.457%0.56673%0.725SS**SBendtrans-173.4121.2162.450.80000111.7
75Q29.2Very low38.2Very low194 Ų194135.9 Ų135.991%0.90771%0.713SS**  trans70.183.1143.9-61.7172.3-6.200117.8
76S27.7Very low39.1Very low111 Ų111134.2 Ų134.278%0.77672%0.718SS**SBendtrans-143.6110.1137.462.40000110.7
77L27.2Very low40.2Very low157 Ų157132 Ų13282%0.82270%0.699SS**  trans24.6108.2166-65.9110.2000119.7R79L77-R79 PolarHBondContact O-N 3.45Å
78H32.3Very low41.4Very low210 Ų210131 Ų13197%0.97270%0.697SS**THydrogen-bonded Turntrans-60.542.7167.2-78-21.8000116.2
79R33.1Very low42.9Very low239 Ų239127.9 Ų127.990%0.90268%0.681SS**THydrogen-bonded Turntrans-115.24.4172.5-114-167.3-100.8-170.6-2.8115.7L77L77-R79 PolarHBondContact O-N 3.45Å
80R49.9Very low45.4Very low94 Ų94128 Ų12836%0.35567%0.674SS.*SBendtrans-123.6111.1171.4-114.3169.1173.8162.1-3.5109.5D82 D153 R165R80-D82 PolarHBondContact O-N 3.31Å; R80-D82 VanDerWaalsContact O-N 3.09Å; R80-D153 IonicContact CZ-OD1 3.86Å; R80-D153 IonicContact CZ-OD2 2.75Å; R80-D153 IonicContact NH1-OD1 3.15Å; R80-D153 PolarHBondContact NH1-OD1 2.8Å; R80-D153 VanDerWaalsContact NH1-OD1 3.15Å; R80-D153 IonicContact NH1-OD2 2.74Å; R80-D153 PolarHBondContact NH1-OD2 2.83Å; R80-D153 IonicContact NH2-OD1 2.69Å; R80-D153 PolarHBondContact NH2-OD1 3.03Å; R80-D153 IonicContact NH2-OD2 2.77Å; R80-R165 VanDerWaalsContact NH2-CD 3.27Å
81G49Very low47.8Very low79 Ų79121.3 Ų121.381%0.81464%0.638SS**  trans-79.926.3-165.300000116.3
82D60.1Low50.5Low34 Ų34117.8 Ų117.818%0.18261%0.61CS.*PPolyproline II helixtrans-85.6126.4-175.8-66.7-27.7000111R80 I94 L103R80-D82 PolarHBondContact O-N 3.31Å; R80-D82 VanDerWaalsContact O-N 3.09Å; D82-I94 HydrophobicContact CB-CG2 3.97Å; D82-L103 WeakPolarHBondContact OD2-CB 3.36Å; D82-L103 PolarHBondContact OD2-N 3.38Å
83L57.1Low53.4Low112 Ų112113.1 Ų113.159%0.58658%0.583SS**EExtended strand (participates in β ladder)trans-89.2119.3172.5-65172.8000109.2I94 K95L83-I94 WeakPolarHBondContact O-CA 3.47Å; L83-K95 HydrophobicContact CB-CB 4.32Å; L83-K95 HydrophobicContact CB-CD 4.36Å; L83-K95 HydrophobicContact CD1-CD 4.3Å; L83-K95 PolarHBondContact O-N 2.97Å; L83-K95 VanDerWaalsContact O-N 3.15Å
84I63Low56.4Low95 Ų95103 Ų10349%0.48754%0.539SS..EExtended strand (participates in β ladder)trans-99119.9178.1-56.2176.1000109I92 T105I84-I92 HydrophobicContact CG2-CG2 3.54Å; I84-T105 HydrophobicContact CD1-CG2 4.42Å
85E63.6Low59.6Low106 Ų106102.1 Ų102.150%0.49553%0.525SS..EExtended strand (participates in β ladder)trans-123.6125175-171.6173.9-177.100108.5K93 K95E85-K93 HydrophobicContact CB-CB 4.34Å; E85-K93 PolarHBondContact N-O 2.82Å; E85-K93 WeakPolarHBondContact O-CA 3.41Å; E85-K93 WeakPolarHBondContact O-CB 3.36Å; E85-K93 PolarHBondContact O-N 3.15Å; E85-K95 IonicContact OE2-NZ 2.91Å; E85-K95 PolarHBondContact OE2-NZ 2.87Å
86S59.4Low62.6Low96 Ų9693 Ų9367%0.67148%0.482SS*.EExtended strand (participates in β ladder)trans-95.3127.3179.2-179.30000109.8
87D56.7Low65.8Low54 Ų5489.1 Ų89.129%0.28945%0.454SS..  trans-92.7160.8179.3-161.2-1.3000112.6N89 D90 I91 K93D87-N89 PolarHBondContact O-N 3.08Å; D87-N89 VanDerWaalsContact O-N 3.08Å; D87-D90 PolarHBondContact O-N 3.38Å; D87-I91 PolarHBondContact N-O 2.96Å; D87-K93 WeakPolarHBondContact OD2-CE 3.38Å; D87-K93 IonicContact OD2-NZ 3.22Å; D87-K93 PolarHBondContact OD2-NZ 3.03Å
88Q54.4Low69Low169 Ų16983.8 Ų83.879%0.7943%0.426SS*.THydrogen-bonded Turntrans-55.3-26176.8-68.7-175.1-18.200113.2K65K65-Q88 PolarHBondContact NZ-O 3.35Å
89N61.5Low71.9Confident115 Ų11578.2 Ų78.262%0.61540%0.404SS*.THydrogen-bonded Turntrans-90.215.8-178.3-75.7-16.7000115.1D87 I91D87-N89 PolarHBondContact O-N 3.08Å; D87-N89 VanDerWaalsContact O-N 3.08Å; N89-I91 HydrophobicContact CB-CG1 4.46Å; N89-I91 PolarHBondContact O-N 3.41Å
90D78.4Confident74.8Confident99 Ų9970.7 Ų70.753%0.52938%0.381SS..SBendtrans6222-180-52.7-36.3000113.9K65 D87K65-D90 VanDerWaalsContact CE-CG 3.49Å; K65-D90 WeakPolarHBondContact CE-OD1 3.47Å; K65-D90 WeakPolarHBondContact CE-OD2 3.27Å; K65-D90 IonicContact NZ-OD1 3.53Å; K65-D90 PolarHBondContact NZ-OD1 3.17Å; K65-D90 IonicContact NZ-OD2 3.1Å; K65-D90 PolarHBondContact NZ-OD2 3.22Å; D87-D90 PolarHBondContact O-N 3.38Å
91I85.9Confident76.8Confident20 Ų2069 Ų6910%0.10338%0.381CS..EExtended strand (participates in β ladder)trans-96.8123.7171.8-55.3177.1000107.7D87 N89 K93 R191D87-I91 PolarHBondContact N-O 2.96Å; N89-I91 HydrophobicContact CB-CG1 4.46Å; N89-I91 PolarHBondContact O-N 3.41Å; I91-K93 PolarHBondContact O-N 3.09Å; I91-R191 WeakPolarHBondContact CA-O 3.28Å; I91-R191 HydrophobicContact CB-CB 4.47Å; I91-R191 HydrophobicContact CG1-CB 4Å; I91-R191 HydrophobicContact CG2-CB 4.38Å
92I88Confident79Confident36 Ų3665.2 Ų65.219%0.18534%0.342CS..EExtended strand (participates in β ladder)trans-81.5117.1173.6-54.1-163.7000108.3I84 I94 Q190 R191 V192 Y193I84-I92 HydrophobicContact CG2-CG2 3.54Å; I92-I94 HydrophobicContact CG2-CD1 4.49Å; I92-I94 HydrophobicContact CG2-CG1 4.1Å; I92-Q190 HydrophobicContact CD1-CG 4.31Å; I92-R191 PolarHBondContact N-O 3.3Å; I92-V192 HydrophobicContact CB-CG2 4.4Å; I92-V192 CarbonylContact O-C 3.55Å; I92-V192 VanDerWaalsContact O-CA 3.26Å; I92-V192 WeakPolarHBondContact O-CA 3.42Å; I92-Y193 PolarHBondContact O-N 2.77Å
93K90.3Very high80.5Confident62 Ų6264.5 Ų64.527%0.2734%0.339SS..EExtended strand (participates in β ladder)trans-90124.7174.6-65176.3-177.11670109E85 D87 I91 Y193E85-K93 HydrophobicContact CB-CB 4.34Å; E85-K93 PolarHBondContact N-O 2.82Å; E85-K93 WeakPolarHBondContact O-CA 3.41Å; E85-K93 WeakPolarHBondContact O-CB 3.36Å; E85-K93 PolarHBondContact O-N 3.15Å; D87-K93 WeakPolarHBondContact OD2-CE 3.38Å; D87-K93 IonicContact OD2-NZ 3.22Å; D87-K93 PolarHBondContact OD2-NZ 3.03Å; I91-K93 PolarHBondContact O-N 3.09Å; K93-Y193 CarbonylContact C-O 3.52Å; K93-Y193 WeakPolarHBondContact CA-O 3.43Å
94I91.8Very high82.2Confident0 Ų059.1 Ų59.10%031%0.311CS..EExtended strand (participates in β ladder)trans-117.3134.9177.1-61.4-179.2000107.7D82 L83 I92 L103 L104 V192 Y193 L194 N195D82-I94 HydrophobicContact CB-CG2 3.97Å; L83-I94 WeakPolarHBondContact O-CA 3.47Å; I92-I94 HydrophobicContact CG2-CD1 4.49Å; I92-I94 HydrophobicContact CG2-CG1 4.1Å; I94-L103 WeakPolarHBondContact CD1-O 3.19Å; I94-L104 HydrophobicContact CD1-CG 4.45Å; I94-V192 HydrophobicContact CD1-CG1 3.51Å; I94-V192 HydrophobicContact CG1-CG1 3.93Å; I94-Y193 PolarHBondContact N-O 2.83Å; I94-L194 HydrophobicContact CG2-CD1 4.42Å; I94-N195 PolarHBondContact O-N 3.28Å
95K92.7Very high83.4Confident62 Ų6255 Ų5527%0.2729%0.29SS..EExtended strand (participates in β ladder)trans-106.7126.2175.2-62.6174.4-173167.10109.3L83 E85 N195 L197L83-K95 HydrophobicContact CB-CB 4.32Å; L83-K95 HydrophobicContact CB-CD 4.36Å; L83-K95 HydrophobicContact CD1-CD 4.3Å; L83-K95 PolarHBondContact O-N 2.97Å; L83-K95 VanDerWaalsContact O-N 3.15Å; E85-K95 IonicContact OE2-NZ 2.91Å; E85-K95 PolarHBondContact OE2-NZ 2.87Å; K95-N195 WeakPolarHBondContact CA-O 3.28Å; K95-N195 HydrophobicContact CG-CB 4.08Å; K95-L197 HydrophobicContact CB-CD1 3.89Å; K95-L197 HydrophobicContact CB-CG 4.14Å; K95-L197 HydrophobicContact CD-CD1 4.34Å; K95-L197 HydrophobicContact CG-CD1 4.48Å
96A93.6Very high84.5Confident2 Ų250.1 Ų50.12%0.01727%0.267CS..EExtended strand (participates in β ladder)trans-127.9145.6173.800000110.3A102 V169 L194 N195 V196 L197A96-A102 HydrophobicContact CB-CB 3.52Å; A96-V169 HydrophobicContact CB-CG2 4.39Å; A96-L194 HydrophobicContact CB-CD1 3.8Å; A96-N195 PolarHBondContact N-O 3.34Å; A96-V196 CarbonylContact O-C 3.53Å; A96-V196 WeakPolarHBondContact O-CA 3.38Å; A96-L197 PolarHBondContact O-N 3.5Å
97V94.2Very high85.4Confident31 Ų3152.9 Ų52.919%0.18826%0.263CS..EExtended strand (participates in β ladder)trans-85.6142.2178.9-177.50000109.7N100 L197 P199 L284V97-N100 HydrophobicContact CB-CB 4.36Å; V97-N100 WeakPolarHBondContact O-CB 3.45Å; V97-N100 PolarHBondContact O-N 2.95Å; V97-N100 VanDerWaalsContact O-N 3.09Å; V97-L197 CarbonylContact C-O 3.55Å; V97-L197 WeakPolarHBondContact CA-O 3.46Å; V97-L197 HydrophobicContact CG2-CB 4.45Å; V97-P199 HydrophobicContact CG1-CG 3.73Å; V97-L284 HydrophobicContact CG1-CD1 4.4Å; V97-L284 HydrophobicContact CG2-CD2 3.77Å
98L93.8Very high86.4Confident44 Ų4450.9 Ų50.923%0.2325%0.253CS..THydrogen-bonded Turntrans-49.3140.4174.5-169.675.9000111.2N100 V169 R171 V196 L197 V198L98-N100 PolarHBondContact O-N 3.5Å; L98-V169 WeakPolarHBondContact CD1-O 3.18Å; L98-R171 HydrophobicContact CD1-CB 4.36Å; L98-V196 HydrophobicContact CB-CG1 4.44Å; L98-V196 HydrophobicContact CD1-CG1 4.14Å; L98-L197 PolarHBondContact N-O 2.75Å; L98-V198 HydrophobicContact CB-CG2 4.41Å; L98-V198 HydrophobicContact CD2-CG1 4.12Å
99N93.7Very high87.1Confident94 Ų9446.4 Ų46.450%0.50324%0.235SC..THydrogen-bonded Turntrans62.5-5.5-175.3-65-18.6000116.4V169 Q170N99-V169 PolarHBondContact N-O 2.68Å; N99-Q170 PolarHBondContact OD1-NE2 2.89Å
100N93Very high87.1Confident81 Ų8149 Ų4943%0.43324%0.24SC..SBendtrans-85.4-178.6170.8-69.4-13.1000111V97 L98 H168 V169V97-N100 HydrophobicContact CB-CB 4.36Å; V97-N100 WeakPolarHBondContact O-CB 3.45Å; V97-N100 PolarHBondContact O-N 2.95Å; V97-N100 VanDerWaalsContact O-N 3.09Å; L98-N100 PolarHBondContact O-N 3.5Å; N100-H168 PolarHBondContact O-N 2.87Å; N100-V169 WeakPolarHBondContact O-CB 3.38Å; N100-V169 WeakPolarHBondContact O-CG2 3.09Å; N100-V169 PolarHBondContact O-N 3Å
101T93.2Very high86Confident57 Ų5750.5 Ų50.535%0.3524%0.242SC..  trans-91.9132.4174-62.20000110.3R165 I166 D167T101-R165 HydrophobicContact CG2-CG 3.35Å; T101-I166 CarbonylContact C-O 3.53Å; T101-I166 VanDerWaalsContact CA-O 3.27Å; T101-I166 WeakPolarHBondContact CA-O 3.49Å; T101-D167 VanDerWaalsContact CG2-OD1 3.22Å; T101-D167 WeakPolarHBondContact CG2-OD1 3.36Å; T101-D167 PolarHBondContact OG1-OD1 2.81Å
102A93.8Very high84.5Confident0 Ų051.1 Ų51.10%025%0.246CC..EExtended strand (participates in β ladder)trans-98.6138.2166.800000110.4A96 L104 R165 I166 V169 L194A96-A102 HydrophobicContact CB-CB 3.52Å; A102-L104 HydrophobicContact CB-CD1 3.9Å; A102-R165 CarbonylContact O-C 3.56Å; A102-R165 WeakPolarHBondContact O-CA 3.36Å; A102-I166 HydrophobicContact CB-CB 4.32Å; A102-I166 PolarHBondContact N-O 3.3Å; A102-I166 PolarHBondContact O-N 2.92Å; A102-V169 HydrophobicContact CB-CG2 3.57Å; A102-L194 HydrophobicContact CB-CD1 3.88Å; A102-L194 HydrophobicContact CB-CD2 4.32Å
103L92.2Very high83Confident19 Ų1953.2 Ų53.210%0.09926%0.257CS..EExtended strand (participates in β ladder)trans-113.9107.6169.7-174.570.9000110.6D82 I94 T105 D153 D163 R165D82-L103 WeakPolarHBondContact OD2-CB 3.36Å; D82-L103 PolarHBondContact OD2-N 3.38Å; I94-L103 WeakPolarHBondContact CD1-O 3.19Å; L103-T105 PolarHBondContact O-N 2.95Å; L103-D153 HydrophobicContact CD1-CB 3.6Å; L103-D163 HydrophobicContact CD1-CB 3.63Å; L103-D163 HydrophobicContact CD2-CB 4.49Å; L103-D163 HydrophobicContact CG-CB 4.06Å; L103-R165 HydrophobicContact CD1-CB 4.29Å
104L93Very high81.3Confident0 Ų055.5 Ų55.50%028%0.276CS..EExtended strand (participates in β ladder)trans-87.8105.3176.5-79.865.6000109.6I94 A102 W128 D163 L164 I166 Y177 V192 L194I94-L104 HydrophobicContact CD1-CG 4.45Å; A102-L104 HydrophobicContact CB-CD1 3.9Å; L104-W128 HydrophobicContact CB-CH2 3.81Å; L104-W128 HydrophobicContact CB-CZ2 4.41Å; L104-W128 HydrophobicContact CB-CZ3 4.23Å; L104-W128 HydrophobicContact CD2-CZ3 4.35Å; L104-W128 VanDerWaalsContact O-CZ2 3.29Å; L104-W128 WeakPolarHBondContact O-CZ2 3.23Å; L104-D163 CarbonylContact O-C 3.59Å; L104-D163 VanDerWaalsContact O-CA 3.29Å; L104-D163 WeakPolarHBondContact O-CA 3.4Å; L104-L164 HydrophobicContact CB-CB 4.1Å; L104-L164 HydrophobicContact CD2-CD2 4.25Å; L104-L164 PolarHBondContact N-O 3.47Å; L104-L164 PolarHBondContact O-N 3.11Å; L104-I166 HydrophobicContact CD1-CD1 3.9Å; L104-I166 HydrophobicContact CD1-CG1 4.37Å; L104-I166 HydrophobicContact CD2-CD1 4.33Å; L104-Y177 HydrophobicContact CD2-CD1 4.11Å; L104-Y177 HydrophobicContact CD2-CD2 3.54Å; L104-Y177 HydrophobicContact CD2-CE2 4.19Å; L104-Y177 HydrophobicContact CD2-CG 3.5Å; L104-V192 HydrophobicContact CB-CG1 4.3Å; L104-V192 HydrophobicContact CD2-CG1 4.23Å; L104-V192 HydrophobicContact CG-CG1 3.93Å; L104-L194 HydrophobicContact CD1-CD1 4.18Å; L104-L194 HydrophobicContact CD1-CD2 4.34Å
105T87.7Confident78.9Confident8 Ų860.2 Ų60.25%0.04930%0.298CS..  trans-72.4139.2-176.264.10000112.7I84 L103 D163 Q190I84-T105 HydrophobicContact CD1-CG2 4.42Å; L103-T105 PolarHBondContact O-N 2.95Å; T105-D163 VanDerWaalsContact CA-OD1 3.22Å; T105-D163 WeakPolarHBondContact CA-OD1 3.28Å; T105-Q190 PolarHBondContact O-NE2 2.78Å
106C86.9Confident76.5Confident3 Ų362.9 Ų62.92%0.0232%0.315CS..  trans-132.1113.8168.1-177.50000110.3W128 L162 D163 C179C106-W128 HydrophobicContact CB-CH2 4.09Å; C106-W128 HydrophobicContact CB-CZ2 3.47Å; C106-W128 VanDerWaalsContact CB-CZ2 3.47Å; C106-L162 HydrophobicContact CB-CB 4.12Å; C106-D163 PolarHBondContact N-OD1 2.79Å; C106-C179 HydrophobicContact CB-CB 3.6Å; C106-C179 WeakPolarHBondContact CB-SG 3.47Å; C106-C179 WeakPolarHBondContact SG-CB 3.26Å; C106-C179 CovalentContact SG-SG 2.02Å; C106-C179 PolarHBondContact SG-SG 3.2Å
107R79.6Confident74.3Confident154 Ų15466.9 Ų66.958%0.58136%0.356SS*.  trans-127.189.4-175.2-64.1-175.1-176.5131.93110.9Y188 Q190R107-Y188 VanDerWaalsContact O-CZ 3.28Å; R107-Y188 PolarHBondContact O-OH 3.3Å; R107-Y188 VanDerWaalsContact O-OH 3.05Å; R107-Q190 VanDerWaalsContact N-OE1 3.15Å
108P76.7Confident72.2Confident13 Ų1368.2 Ų68.28%0.08436%0.362CS..  trans-56.7147.1166.3-18.630.6000110.5K110 L162 Y181 Y188P108-K110 PolarHBondContact O-N 2.82Å; P108-L162 HydrophobicContact CG-CD1 3.5Å; P108-Y181 HydrophobicContact CB-CD1 3.98Å; P108-Y181 HydrophobicContact CB-CE1 4.48Å; P108-Y181 HydrophobicContact CG-CD1 3.73Å; P108-Y181 HydrophobicContact CG-CD2 4.5Å; P108-Y181 HydrophobicContact CG-CE1 4.37Å; P108-Y181 HydrophobicContact CG-CG 3.78Å; P108-Y188 HydrophobicContact CB-CD1 3.92Å; P108-Y188 HydrophobicContact CB-CD2 4.47Å; P108-Y188 HydrophobicContact CB-CE1 4.38Å; P108-Y188 HydrophobicContact CB-CG 3.96Å; P108-Y188 HydrophobicContact CG-CD1 3.81Å; P108-Y188 HydrophobicContact CG-CE1 4.24Å; P108-Y188 HydrophobicContact CG-CG 4.32Å
109D69.4Low70Confident75 Ų7571.9 Ų71.940%0.40138%0.382SS..  trans-55.6136.3173.4-172.3-12.7000109.6K111 L112 L113D109-K111 PolarHBondContact O-N 2.87Å; D109-K111 VanDerWaalsContact O-N 3.1Å; D109-K111 PolarHBondContact OD1-N 3.07Å; D109-L112 HydrophobicContact CB-CD1 4.09Å; D109-L112 HydrophobicContact CB-CG 4.26Å; D109-L112 WeakPolarHBondContact O-CB 3.22Å; D109-L112 PolarHBondContact O-N 2.78Å; D109-L113 PolarHBondContact O-N 2.85Å
110K62.2Low67.9Low168 Ų16877.2 Ų77.273%0.7340%0.404SS*.Hα-helixtrans-54.1-32177.4-72.4-172.9177.1-173.20111.9P108 L112 L113 T114P108-K110 PolarHBondContact O-N 2.82Å; K110-L112 VanDerWaalsContact C-N 3.28Å; K110-L112 PolarHBondContact O-N 2.97Å; K110-L113 CarbonylContact O-C 3.55Å; K110-L113 WeakPolarHBondContact O-CA 3.45Å; K110-L113 WeakPolarHBondContact O-CB 3.22Å; K110-L113 PolarHBondContact O-N 2.01Å; K110-T114 PolarHBondContact O-N 3.19Å; K110-T114 VanDerWaalsContact O-N 3.12Å; K110-T114 PolarHBondContact O-OG1 3.25Å
111K55.6Low65.8Low132 Ų13280.2 Ų80.257%0.57442%0.42SS*.Hα-helixtrans-61.7-35.1174.8-65.6-175.7179-172.40112.4D109 L113 T114 E115D109-K111 PolarHBondContact O-N 2.87Å; D109-K111 VanDerWaalsContact O-N 3.1Å; D109-K111 PolarHBondContact OD1-N 3.07Å; K111-L113 PolarHBondContact O-N 3.46Å; K111-T114 PolarHBondContact O-N 2.79Å; K111-E115 WeakPolarHBondContact O-CA 3.34Å; K111-E115 WeakPolarHBondContact O-CB 3.34Å; K111-E115 PolarHBondContact O-N 2.93Å
112L52.8Low63.9Low33 Ų3381 Ų8117%0.17343%0.425CS..Hα-helixtrans-70.7-21.8174.7-61166.2000112.7D109 K110 N183 T186 Y188D109-L112 HydrophobicContact CB-CD1 4.09Å; D109-L112 HydrophobicContact CB-CG 4.26Å; D109-L112 WeakPolarHBondContact O-CB 3.22Å; D109-L112 PolarHBondContact O-N 2.78Å; K110-L112 VanDerWaalsContact C-N 3.28Å; K110-L112 PolarHBondContact O-N 2.97Å; L112-N183 PolarHBondContact O-ND2 3.29Å; L112-T186 HydrophobicContact CD2-CG2 4.37Å; L112-T186 VanDerWaalsContact CD2-OG1 3.28Å; L112-T186 WeakPolarHBondContact CD2-OG1 3.32Å; L112-Y188 HydrophobicContact CD1-CD2 4.07Å; L112-Y188 HydrophobicContact CD1-CG 4.43Å
113L57.2Low62.6Low80 Ų8089.5 Ų89.542%0.41946%0.462SS..Hα-helixtrans-83.8-17.1174.3-57.9171.5000112.6D109 K110 K111 Y181D109-L113 PolarHBondContact O-N 2.85Å; K110-L113 CarbonylContact O-C 3.55Å; K110-L113 WeakPolarHBondContact O-CA 3.45Å; K110-L113 WeakPolarHBondContact O-CB 3.22Å; K110-L113 PolarHBondContact O-N 2.01Å; K111-L113 PolarHBondContact O-N 3.46Å; L113-Y181 HydrophobicContact CD2-CE1 3.94Å
114T53.8Low61.8Low110 Ų11089.3 Ų89.368%0.67546%0.464SS*.Hα-helixtrans-131-11.5-172.164.70000115.8K110 K111 N116K110-T114 PolarHBondContact O-N 3.19Å; K110-T114 VanDerWaalsContact O-N 3.12Å; K110-T114 PolarHBondContact O-OG1 3.25Å; K111-T114 PolarHBondContact O-N 2.79Å; T114-N116 PolarHBondContact O-N 3.19Å
115E42.4Very low61.4Low98 Ų9892 Ų9246%0.45848%0.48SS..SBendtrans-78.7113.8-171.7-168.6167-151.600111.1K111K111-E115 WeakPolarHBondContact O-CA 3.34Å; K111-E115 WeakPolarHBondContact O-CB 3.34Å; K111-E115 PolarHBondContact O-N 2.93Å
116N42.5Very low61.4Low118 Ų11891.8 Ų91.863%0.63148%0.479SS*.SBendtrans76.781.2161.1-61-16.3000118T114 I118T114-N116 PolarHBondContact O-N 3.19Å; N116-I118 VanDerWaalsContact O-CG1 3.23Å; N116-I118 WeakPolarHBondContact O-CG1 3.28Å; N116-I118 PolarHBondContact O-N 3.17Å
117G47Very low61.6Low86 Ų8693.2 Ų93.289%0.88749%0.486SS*.  trans59.526.8148.300000115.4
118I49.5Very low62.3Low59 Ų5985.9 Ų85.930%0.30346%0.459SS..  trans-87.7122.5176.4-26.1-177.6000106.4N116 T122N116-I118 VanDerWaalsContact O-CG1 3.23Å; N116-I118 WeakPolarHBondContact O-CG1 3.28Å; N116-I118 PolarHBondContact O-N 3.17Å; I118-T122 WeakPolarHBondContact CB-OG1 3.36Å; I118-T122 HydrophobicContact CG2-CG2 3.52Å; I118-T122 WeakPolarHBondContact CG2-OG1 3.35Å
119D47.1Very low63.1Low121 Ų12187.5 Ų87.565%0.64747%0.465SS*.  trans-39.8141.7178.9-64.4-33.7000110.7N121 T122D119-N121 HydrophobicContact CB-CB 4.27Å; D119-N121 PolarHBondContact O-N 2.73Å; D119-T122 PolarHBondContact O-N 2.88Å; D119-T122 PolarHBondContact O-OG1 3.46Å; D119-T122 VanDerWaalsContact O-OG1 3.1Å
120E51Low64.4Low207 Ų20785.2 Ų85.297%0.96745%0.45SS*.THydrogen-bonded Turntrans-51.5-12170.6-65.6-173.3159.800112.9
121N49.1Very low65.9Low144 Ų14479.9 Ų79.977%0.7743%0.432SS*.THydrogen-bonded Turntrans-87.9-13.8176-77.6-13.8000116.7D119 K123D119-N121 HydrophobicContact CB-CB 4.27Å; D119-N121 PolarHBondContact O-N 2.73Å; N121-K123 VanDerWaalsContact C-N 3.33Å; N121-K123 PolarHBondContact O-N 2.88Å
122T53.6Low67.6Low74 Ų7482.2 Ų82.245%0.45444%0.442SS..  trans-81.981.2177.553.90000111I118 D119 G124I118-T122 WeakPolarHBondContact CB-OG1 3.36Å; I118-T122 HydrophobicContact CG2-CG2 3.52Å; I118-T122 WeakPolarHBondContact CG2-OG1 3.35Å; D119-T122 PolarHBondContact O-N 2.88Å; D119-T122 PolarHBondContact O-OG1 3.46Å; D119-T122 VanDerWaalsContact O-OG1 3.1Å; T122-G124 PolarHBondContact O-N 3.33Å; T122-G124 VanDerWaalsContact O-N 3.12Å
123K64.5Low69.5Low178 Ų17883.7 Ų83.777%0.77445%0.452SS*.  trans-62112.8167.2-65.8-179.5-178.7-178.90108.4N121N121-K123 VanDerWaalsContact C-N 3.33Å; N121-K123 PolarHBondContact O-N 2.88Å
124G76.9Confident71.2Confident15 Ų1584.4 Ų84.416%0.15546%0.457CS..PPolyproline II helixtrans-57.6154.7172.800000112.1T122 S182T122-G124 PolarHBondContact O-N 3.33Å; T122-G124 VanDerWaalsContact O-N 3.12Å; G124-S182 CarbonylContact C-O 3.59Å; G124-S182 VanDerWaalsContact CA-O 3.25Å; G124-S182 WeakPolarHBondContact CA-O 3.3Å
125T83.6Confident73.1Confident55 Ų5582.7 Ų82.734%0.33744%0.441SS..EExtended strand (participates in β ladder)trans-95.4118.5-178-67.90000112H139 N140 Y181 S182T125-H139 WeakPolarHBondContact CG2-NE2 3.25Å; T125-N140 WeakPolarHBondContact CA-OD1 3.38Å; T125-N140 PolarHBondContact OG1-ND2 3.01Å; T125-Y181 CarbonylContact O-C 3.58Å; T125-Y181 VanDerWaalsContact O-CA 3.28Å; T125-Y181 WeakPolarHBondContact O-CA 3.41Å; T125-S182 PolarHBondContact N-O 3.48Å; T125-S182 PolarHBondContact O-N 3.24Å
126L87.9Confident75.6Confident4 Ų483.9 Ų83.92%0.02144%0.442CS..EExtended strand (participates in β ladder)trans-95.7135.8172.5177.266.6000111.2H139 N140 L152 L162 C179 L180 Y181L126-H139 VanDerWaalsContact O-CA 3.26Å; L126-H139 WeakPolarHBondContact O-CA 3.41Å; L126-H139 PolarHBondContact O-CD2 3.45Å; L126-N140 PolarHBondContact N-OD1 2.69Å; L126-N140 PolarHBondContact O-N 3.09Å; L126-N140 PolarHBondContact O-OD1 3.45Å; L126-L152 HydrophobicContact CD2-CD1 3.51Å; L126-L152 HydrophobicContact CD2-CD2 4.35Å; L126-L162 HydrophobicContact CB-CD2 4.17Å; L126-L162 HydrophobicContact CD1-CB 3.89Å; L126-L162 HydrophobicContact CD1-CD1 4.32Å; L126-L162 HydrophobicContact CD1-CD2 4.34Å; L126-L162 HydrophobicContact CD1-CG 4.4Å; L126-L162 HydrophobicContact CD2-CB 3.86Å; L126-L162 HydrophobicContact CD2-CD2 3.79Å; L126-L162 HydrophobicContact CD2-CG 4.38Å; L126-L162 HydrophobicContact CG-CB 4.46Å; L126-L162 HydrophobicContact CG-CD2 4.31Å; L126-C179 WeakPolarHBondContact CD1-SG 3.47Å; L126-L180 CarbonylContact C-O 3.59Å; L126-L180 WeakPolarHBondContact CA-O 3.49Å; L126-Y181 HydrophobicContact CB-CD2 4.41Å
127L91.2Very high78.1Confident33 Ų3378.2 Ų78.217%0.17341%0.412CS..EExtended strand (participates in β ladder)trans-137.3123.3170.5179.665.8000110.9Y136 I138 H139 L144 L180L127-Y136 HydrophobicContact CD1-CD1 3.87Å; L127-Y136 HydrophobicContact CD2-CD1 3.89Å; L127-Y136 HydrophobicContact CD2-CE1 3.87Å; L127-Y136 HydrophobicContact CG-CD1 4.21Å; L127-I138 WeakPolarHBondContact CA-O 3.48Å; L127-H139 HydrophobicContact CD1-CB 4.08Å; L127-L144 HydrophobicContact CD1-CD1 4.41Å; L127-L180 HydrophobicContact CB-CB 4.31Å; L127-L180 HydrophobicContact CD2-CD1 4.27Å; L127-L180 PolarHBondContact N-O 2.82Å; L127-L180 PolarHBondContact O-N 3.24Å
128W95.1Very high80.2Confident0 Ų074.3 Ų74.30%037%0.371CS..EExtended strand (participates in β ladder)trans-99.7133.3167.3-81.7100.1000110.6L104 C106 L137 I138 L162 L164 C179 V192L104-W128 HydrophobicContact CB-CH2 3.81Å; L104-W128 HydrophobicContact CB-CZ2 4.41Å; L104-W128 HydrophobicContact CB-CZ3 4.23Å; L104-W128 HydrophobicContact CD2-CZ3 4.35Å; L104-W128 VanDerWaalsContact O-CZ2 3.29Å; L104-W128 WeakPolarHBondContact O-CZ2 3.23Å; C106-W128 HydrophobicContact CB-CH2 4.09Å; C106-W128 HydrophobicContact CB-CZ2 3.47Å; C106-W128 VanDerWaalsContact CB-CZ2 3.47Å; W128-L137 HydrophobicContact CB-CB 4.21Å; W128-L137 PolarHBondContact O-N 3.43Å; W128-I138 HydrophobicContact CB-CB 4.5Å; W128-I138 PolarHBondContact N-O 3.36Å; W128-L162 PolarHBondContact NE1-O 2.85Å; W128-L164 HydrophobicContact CB-CD2 4.35Å; W128-L164 HydrophobicContact CD2-CB 3.69Å; W128-L164 HydrophobicContact CD2-CD2 3.97Å; W128-L164 HydrophobicContact CD2-CG 4.43Å; W128-L164 VanDerWaalsContact CE2-CB 3.46Å; W128-L164 HydrophobicContact CE3-CB 4.21Å; W128-L164 HydrophobicContact CE3-CD2 3.94Å; W128-L164 HydrophobicContact CG-CB 4.03Å; W128-L164 HydrophobicContact CG-CD2 4.18Å; W128-L164 HydrophobicContact CH2-CB 4.27Å; W128-L164 HydrophobicContact CZ2-CB 3.75Å; W128-L164 HydrophobicContact CZ3-CB 4.48Å; W128-C179 HydrophobicContact CD2-CB 4.09Å; W128-C179 HydrophobicContact CE3-CB 4.04Å; W128-C179 HydrophobicContact CH2-CB 3.77Å; W128-C179 HydrophobicContact CZ2-CB 3.81Å; W128-C179 HydrophobicContact CZ3-CB 3.88Å; W128-V192 HydrophobicContact CH2-CG2 4.24Å; W128-V192 HydrophobicContact CZ3-CG2 4.47Å
129K93.9Very high82.2Confident48 Ų4874.9 Ų74.921%0.20937%0.372CS..EExtended strand (participates in β ladder)trans-137.6150.5175.169.3176.7-170.41680112.5E135 Y136 Y177 V178K129-E135 CarbonylContact C-O 3.56Å; K129-E135 WeakPolarHBondContact CA-O 3.29Å; K129-Y136 HydrophobicContact CB-CD1 4.13Å; K129-Y177 WeakPolarHBondContact O-CA 3.46Å; K129-V178 HydrophobicContact CG-CB 3.94Å; K129-V178 PolarHBondContact N-O 3.04Å; K129-V178 PolarHBondContact O-N 3.15Å
130R95.4Very high83.8Confident26 Ų2672.6 Ų72.610%0.09836%0.36CS..EExtended strand (participates in β ladder)trans-90.9126.5172.1-170.4171.9-169.5-175.82.3109.9T133 N134 E135 L137 T172 E174 Y177R130-T133 WeakPolarHBondContact CD-OG1 3.43Å; R130-N134 WeakPolarHBondContact O-CA 2.99Å; R130-N134 PolarHBondContact O-N 3.05Å; R130-E135 PolarHBondContact N-O 2.86Å; R130-E135 PolarHBondContact O-N 2.85Å; R130-L137 HydrophobicContact CB-CD1 4.37Å; R130-L137 HydrophobicContact CB-CD2 4.47Å; R130-T172 VanDerWaalsContact CZ-O 3.24Å; R130-T172 PolarHBondContact NH1-O 2.88Å; R130-T172 PolarHBondContact NH2-O 3.23Å; R130-E174 PolarHBondContact NH2-O 2.92Å; R130-Y177 HydrophobicContact CB-CD1 4.42Å; R130-Y177 HydrophobicContact CB-CE1 4.3Å; R130-Y177 HydrophobicContact CG-CE1 4.21Å
131T93.2Very high85.2Confident57 Ų5767.7 Ų67.735%0.3534%0.34SS..THydrogen-bonded Turntrans-72.8-43.5-171.8-51.20000112.6T133 N134 E176 V178T131-T133 PolarHBondContact O-N 3.33Å; T131-N134 PolarHBondContact O-N 3.38Å; T131-E176 VanDerWaalsContact CB-O 3.28Å; T131-E176 WeakPolarHBondContact CB-O 3.39Å; T131-E176 PolarHBondContact N-O 3.09Å; T131-E176 PolarHBondContact OG1-O 2.89Å; T131-V178 WeakPolarHBondContact OG1-CG2 3.31Å
132K91.8Very high87Confident180 Ų18069.1 Ų69.178%0.78334%0.335SS*.THydrogen-bonded Turntrans-62.9-43.4-173.9-176179.8178.5-178.50112.9
133T93Very high88.7Confident64 Ų6471 Ų7139%0.39333%0.334SS..THydrogen-bonded Turntrans-98.1-9.2-178.351.80000112.8R130 T131 E135R130-T133 WeakPolarHBondContact CD-OG1 3.43Å; T131-T133 PolarHBondContact O-N 3.33Å; T133-E135 VanDerWaalsContact CB-CD 3.48Å; T133-E135 VanDerWaalsContact CB-OE2 3.23Å; T133-E135 WeakPolarHBondContact CB-OE2 3.4Å; T133-E135 PolarHBondContact O-N 3.43Å; T133-E135 VanDerWaalsContact OG1-CD 3.24Å; T133-E135 WeakPolarHBondContact OG1-CG 3.28Å; T133-E135 PolarHBondContact OG1-OE2 3.18Å
134N93.3Very high90.1Very high96 Ų9666.4 Ų66.451%0.51332%0.317SS..THydrogen-bonded Turntrans55.129-172.7-160.947.2000114R130 T131R130-N134 WeakPolarHBondContact O-CA 2.99Å; R130-N134 PolarHBondContact O-N 3.05Å; T131-N134 PolarHBondContact O-N 3.38Å
135E93.4Very high90.9Very high73 Ų7367.2 Ų67.234%0.34132%0.317SS..EExtended strand (participates in β ladder)trans-84.3136.6178.7-69.7161.4155.800111.3K129 R130 T133 H145K129-E135 CarbonylContact C-O 3.56Å; K129-E135 WeakPolarHBondContact CA-O 3.29Å; R130-E135 PolarHBondContact N-O 2.86Å; R130-E135 PolarHBondContact O-N 2.85Å; T133-E135 VanDerWaalsContact CB-CD 3.48Å; T133-E135 VanDerWaalsContact CB-OE2 3.23Å; T133-E135 WeakPolarHBondContact CB-OE2 3.4Å; T133-E135 PolarHBondContact O-N 3.43Å; T133-E135 VanDerWaalsContact OG1-CD 3.24Å; T133-E135 WeakPolarHBondContact OG1-CG 3.28Å; T133-E135 PolarHBondContact OG1-OE2 3.18Å; E135-H145 IonicContact OE2-NE2 3.4Å
136Y94.5Very high91.3Very high123 Ų12369.9 Ų69.948%0.48234%0.335SS..EExtended strand (participates in β ladder)trans-83.3127.9172.6-59.5-70.2000110.4L127 K129 H145L127-Y136 HydrophobicContact CD1-CD1 3.87Å; L127-Y136 HydrophobicContact CD2-CD1 3.89Å; L127-Y136 HydrophobicContact CD2-CE1 3.87Å; L127-Y136 HydrophobicContact CG-CD1 4.21Å; K129-Y136 HydrophobicContact CB-CD1 4.13Å; Y136-H145 PolarHBondContact O-N 2.61Å
137L94.8Very high91.6Very high0 Ų071.5 Ų71.50%034%0.344CS..EExtended strand (participates in β ladder)trans-97.8-59.7-172.6-56.2177.5000112W128 R130 L144 H145 Y150 L164 Y177W128-L137 HydrophobicContact CB-CB 4.21Å; W128-L137 PolarHBondContact O-N 3.43Å; R130-L137 HydrophobicContact CB-CD1 4.37Å; R130-L137 HydrophobicContact CB-CD2 4.47Å; L137-L144 PolarHBondContact O-N 3.03Å; L137-H145 HydrophobicContact CD2-CB 3.91Å; L137-H145 PolarHBondContact O-N 3.1Å; L137-Y150 HydrophobicContact CD1-CD1 4.33Å; L137-Y150 HydrophobicContact CD1-CE1 4.32Å; L137-Y150 HydrophobicContact CD2-CD2 4.09Å; L137-Y150 HydrophobicContact CD2-CE2 3.96Å; L137-Y150 HydrophobicContact CD2-CG 4.46Å; L137-L164 HydrophobicContact CD1-CD2 3.9Å; L137-Y177 HydrophobicContact CD1-CD1 3.5Å; L137-Y177 HydrophobicContact CD1-CE1 3.51Å
138I92.2Very high91.8Very high3 Ų374.2 Ų74.22%0.01536%0.362CS..EExtended strand (participates in β ladder)trans-142.5138.9-175-61.7-179.8000109.5L127 W128 R142 I151 L152 L164L127-I138 WeakPolarHBondContact CA-O 3.48Å; W128-I138 HydrophobicContact CB-CB 4.5Å; W128-I138 PolarHBondContact N-O 3.36Å; I138-R142 CarbonylContact C-O 3.43Å; I138-R142 WeakPolarHBondContact CA-O 3.32Å; I138-I151 VanDerWaalsContact CD1-C 3.47Å; I138-L152 HydrophobicContact CD1-CB 4.44Å; I138-L164 HydrophobicContact CD1-CD1 3.52Å; I138-L164 HydrophobicContact CG1-CD1 4.34Å
139H91Very high91.7Very high71 Ų7176 Ų7633%0.32937%0.368SS..EExtended strand (participates in β ladder)trans-134119.7175.1176.1-107.2000110.8T125 L126 L127 N141 R142 L144T125-H139 WeakPolarHBondContact CG2-NE2 3.25Å; L126-H139 VanDerWaalsContact O-CA 3.26Å; L126-H139 WeakPolarHBondContact O-CA 3.41Å; L126-H139 PolarHBondContact O-CD2 3.45Å; L127-H139 HydrophobicContact CD1-CB 4.08Å; H139-N141 VanDerWaalsContact C-N 3.3Å; H139-N141 PolarHBondContact O-N 2.81Å; H139-N141 VanDerWaalsContact O-N 3.15Å; H139-R142 PolarHBondContact N-O 2.9Å; H139-R142 WeakPolarHBondContact O-CA 3.27Å; H139-R142 WeakPolarHBondContact O-CB 3.19Å; H139-R142 PolarHBondContact O-N 3.29Å; H139-L144 HydrophobicContact CB-CD1 3.7Å; H139-L144 HydrophobicContact CB-CG 4.17Å
140N80.6Confident91.7Very high73 Ų7374 Ų7439%0.3936%0.359SS..THydrogen-bonded Turntrans43.248.8176.8-68-13.8000114.9T125 L126 R142T125-N140 WeakPolarHBondContact CA-OD1 3.38Å; T125-N140 PolarHBondContact OG1-ND2 3.01Å; L126-N140 PolarHBondContact N-OD1 2.69Å; L126-N140 PolarHBondContact O-N 3.09Å; L126-N140 PolarHBondContact O-OD1 3.45Å; N140-R142 VanDerWaalsContact C-N 3.3Å; N140-R142 PolarHBondContact O-N 2.48Å
141N80.4Confident91.5Very high104 Ų10475.5 Ų75.556%0.55637%0.369SS*.THydrogen-bonded Turntrans75.1-0.6-176.2-152.237.3000116.7H139 L152H139-N141 VanDerWaalsContact C-N 3.3Å; H139-N141 PolarHBondContact O-N 2.81Å; H139-N141 VanDerWaalsContact O-N 3.15Å; N141-L152 HydrophobicContact CB-CD2 4.41Å
142R86.2Confident91.3Very high174 Ų17473.7 Ų73.766%0.65736%0.357SS*.EExtended strand (participates in β ladder)trans-94.4122.5170.8-174.4177.8178.4175.30.9110.5I138 H139 N140 L144I138-R142 CarbonylContact C-O 3.43Å; I138-R142 WeakPolarHBondContact CA-O 3.32Å; H139-R142 PolarHBondContact N-O 2.9Å; H139-R142 WeakPolarHBondContact O-CA 3.27Å; H139-R142 WeakPolarHBondContact O-CB 3.19Å; H139-R142 PolarHBondContact O-N 3.29Å; N140-R142 VanDerWaalsContact C-N 3.3Å; N140-R142 PolarHBondContact O-N 2.48Å; R142-L144 HydrophobicContact CG-CD2 4.3Å; R142-L144 PolarHBondContact O-N 2.67Å
143R91Very high91Very high114 Ų11465.6 Ų65.643%0.4332%0.322SS..EExtended strand (participates in β ladder)trans-72.2124.9169-177.3175.159.1-127.8-4.4109.8H145 D147 T148 Y150R143-H145 WeakPolarHBondContact CD-O 3.5Å; R143-H145 WeakPolarHBondContact CG-O 3.38Å; R143-D147 WeakPolarHBondContact CD-O 3.29Å; R143-T148 PolarHBondContact NH1-O 2.78Å; R143-Y150 WeakPolarHBondContact CD-O 3.42Å
144L92.4Very high90Very high81 Ų8167 Ų6742%0.42433%0.326SS..  trans-98.4-27.2177.5-60.6-178.7000112L127 L137 H139 R142L127-L144 HydrophobicContact CD1-CD1 4.41Å; L137-L144 PolarHBondContact O-N 3.03Å; H139-L144 HydrophobicContact CB-CD1 3.7Å; H139-L144 HydrophobicContact CB-CG 4.17Å; R142-L144 HydrophobicContact CG-CD2 4.3Å; R142-L144 PolarHBondContact O-N 2.67Å
145H93.8Very high88.9Confident32 Ų3266 Ų6615%0.14833%0.326CS..SBendtrans-86.5142.9179.5-168.9-86.2000112.2E135 Y136 L137 R143 D147 Y150E135-H145 IonicContact OE2-NE2 3.4Å; Y136-H145 PolarHBondContact O-N 2.61Å; L137-H145 HydrophobicContact CD2-CB 3.91Å; L137-H145 PolarHBondContact O-N 3.1Å; R143-H145 WeakPolarHBondContact CD-O 3.5Å; R143-H145 WeakPolarHBondContact CG-O 3.38Å; H145-D147 VanDerWaalsContact C-N 3.32Å; H145-D147 VanDerWaalsContact CE1-CB 3.43Å; H145-D147 WeakPolarHBondContact CE1-CB 3.04Å; H145-D147 WeakPolarHBondContact ND1-CB 3.12Å; H145-D147 PolarHBondContact ND1-N 2.88Å; H145-D147 PolarHBondContact O-N 3.4Å; H145-Y150 HydrophobicContact CB-CD2 4.31Å; H145-Y150 AromaticContact CE1-CE2 3.9Å; H145-Y150 AromaticContact ND1-CD2 3.7Å; H145-Y150 AromaticContact ND1-CE2 3.57Å
146P93.4Very high87.4Confident111 Ų11164.1 Ų64.172%0.72132%0.321SS*.SBendtrans-65.5-30.8-178.824-35000114.1T148P146-T148 PolarHBondContact O-N 3.19Å; P146-T148 VanDerWaalsContact O-N 3.14Å
147D94Very high85.5Confident39 Ų3968.1 Ų68.121%0.20934%0.341CS..  trans-62.5113.5177.5-172.9-14000111.3R143 H145 R149 Y150R143-D147 WeakPolarHBondContact CD-O 3.29Å; H145-D147 VanDerWaalsContact C-N 3.32Å; H145-D147 VanDerWaalsContact CE1-CB 3.43Å; H145-D147 WeakPolarHBondContact CE1-CB 3.04Å; H145-D147 WeakPolarHBondContact ND1-CB 3.12Å; H145-D147 PolarHBondContact ND1-N 2.88Å; H145-D147 PolarHBondContact O-N 3.4Å; D147-R149 PolarHBondContact O-N 3.01Å; D147-R149 VanDerWaalsContact OD1-CB 3.26Å; D147-R149 WeakPolarHBondContact OD1-CB 3.39Å; D147-R149 VanDerWaalsContact OD1-CG 3.25Å; D147-R149 WeakPolarHBondContact OD1-CG 3.27Å; D147-R149 IonicContact OD1-CZ 3.01Å; D147-R149 PolarHBondContact OD1-N 2.79Å; D147-R149 IonicContact OD1-NE 3.89Å; D147-R149 PolarHBondContact OD1-NE 3.02Å; D147-R149 IonicContact OD2-CZ 3.92Å; D147-R149 VanDerWaalsContact OD2-CZ 3.31Å; D147-R149 IonicContact OD2-NE 2.74Å; D147-R149 PolarHBondContact OD2-NE 3.42Å; D147-R149 VanDerWaalsContact OD2-NE 3.15Å; D147-R149 IonicContact OD2-NH2 3.43Å; D147-R149 PolarHBondContact OD2-NH2 2.85Å; D147-Y150 HydrophobicContact CB-CD2 3.73Å; D147-Y150 HydrophobicContact CB-CE2 3.63Å; D147-Y150 WeakPolarHBondContact O-CD2 3.34Å
148T93.5Very high83.8Confident89 Ų8974 Ų7455%0.54637%0.372SS..THydrogen-bonded Turntrans-73.2-10.7-173.4570000113.7R143 P146 Y150R143-T148 PolarHBondContact NH1-O 2.78Å; P146-T148 PolarHBondContact O-N 3.19Å; P146-T148 VanDerWaalsContact O-N 3.14Å; T148-Y150 VanDerWaalsContact C-N 3.3Å; T148-Y150 PolarHBondContact O-N 2.93Å
149R93.9Very high82.1Confident38 Ų3880.6 Ų80.614%0.14340%0.403CS..THydrogen-bonded Turntrans-72.3-22.2179.5-61.3177.8-51.2119.11.1113.3D147 I151 I166 D167 H168 D173D147-R149 PolarHBondContact O-N 3.01Å; D147-R149 VanDerWaalsContact OD1-CB 3.26Å; D147-R149 WeakPolarHBondContact OD1-CB 3.39Å; D147-R149 VanDerWaalsContact OD1-CG 3.25Å; D147-R149 WeakPolarHBondContact OD1-CG 3.27Å; D147-R149 IonicContact OD1-CZ 3.01Å; D147-R149 PolarHBondContact OD1-N 2.79Å; D147-R149 IonicContact OD1-NE 3.89Å; D147-R149 PolarHBondContact OD1-NE 3.02Å; D147-R149 IonicContact OD2-CZ 3.92Å; D147-R149 VanDerWaalsContact OD2-CZ 3.31Å; D147-R149 IonicContact OD2-NE 2.74Å; D147-R149 PolarHBondContact OD2-NE 3.42Å; D147-R149 VanDerWaalsContact OD2-NE 3.15Å; D147-R149 IonicContact OD2-NH2 3.43Å; D147-R149 PolarHBondContact OD2-NH2 2.85Å; R149-I151 PolarHBondContact O-N 2.86Å; R149-I166 WeakPolarHBondContact O-CA 3.49Å; R149-D167 WeakPolarHBondContact CB-O 3.47Å; R149-D167 WeakPolarHBondContact CD-O 3.39Å; R149-D167 WeakPolarHBondContact CG-O 3.28Å; R149-D167 PolarHBondContact NH1-O 3.29Å; R149-D167 PolarHBondContact O-N 3.06Å; R149-D167 VanDerWaalsContact O-N 3.08Å; R149-H168 PolarHBondContact NH1-O 2.94Å; R149-D173 IonicContact CZ-OD1 3.71Å; R149-D173 IonicContact CZ-OD2 3.65Å; R149-D173 IonicContact NH1-OD1 3.88Å; R149-D173 IonicContact NH1-OD2 3.43Å; R149-D173 PolarHBondContact NH1-OD2 3.39Å; R149-D173 IonicContact NH2-OD1 2.65Å; R149-D173 PolarHBondContact NH2-OD1 3.06Å; R149-D173 IonicContact NH2-OD2 3.07Å; R149-D173 PolarHBondContact NH2-OD2 3.13Å
150Y94.6Very high80.8Confident5 Ų581.1 Ų81.12%0.0241%0.412CS..EExtended strand (participates in β ladder)trans-77.6115.4173.9-60.1-63000110.2L137 R143 H145 D147 T148 L164 I166 Y177L137-Y150 HydrophobicContact CD1-CD1 4.33Å; L137-Y150 HydrophobicContact CD1-CE1 4.32Å; L137-Y150 HydrophobicContact CD2-CD2 4.09Å; L137-Y150 HydrophobicContact CD2-CE2 3.96Å; L137-Y150 HydrophobicContact CD2-CG 4.46Å; R143-Y150 WeakPolarHBondContact CD-O 3.42Å; H145-Y150 HydrophobicContact CB-CD2 4.31Å; H145-Y150 AromaticContact CE1-CE2 3.9Å; H145-Y150 AromaticContact ND1-CD2 3.7Å; H145-Y150 AromaticContact ND1-CE2 3.57Å; D147-Y150 HydrophobicContact CB-CD2 3.73Å; D147-Y150 HydrophobicContact CB-CE2 3.63Å; D147-Y150 WeakPolarHBondContact O-CD2 3.34Å; T148-Y150 VanDerWaalsContact C-N 3.3Å; T148-Y150 PolarHBondContact O-N 2.93Å; Y150-L164 HydrophobicContact CD1-CD1 4.37Å; Y150-I166 HydrophobicContact CD1-CD1 4.18Å; Y150-I166 HydrophobicContact CD1-CG1 3.86Å; Y150-I166 HydrophobicContact CD1-CG2 4.29Å; Y150-I166 HydrophobicContact CE1-CD1 3.84Å; Y150-I166 HydrophobicContact CE1-CG1 4Å; Y150-I166 HydrophobicContact CE1-CG2 4.11Å; Y150-Y177 HydrophobicContact CE1-CE1 4.22Å
151I90.1Very high80.2Confident59 Ų5979.7 Ų79.730%0.30340%0.404SS..EExtended strand (participates in β ladder)trans-137.4143.1-175.7-57.3171.5000108.9I138 R149 R165 D167I138-I151 VanDerWaalsContact CD1-C 3.47Å; R149-I151 PolarHBondContact O-N 2.86Å; I151-R165 PolarHBondContact N-O 3.01Å; I151-R165 WeakPolarHBondContact O-CA 3.48Å; I151-R165 WeakPolarHBondContact O-CB 3.34Å; I151-R165 PolarHBondContact O-N 2.92Å; I151-R165 VanDerWaalsContact O-O 3.08Å; I151-D167 WeakPolarHBondContact CD1-OD2 3.31Å
152L88.7Confident80.3Confident19 Ų1975.7 Ų75.710%0.09938%0.382CS..EExtended strand (participates in β ladder)trans-77.4130.8170.4-168.769.6000109.4L126 I138 N141 M154L126-L152 HydrophobicContact CD2-CD1 3.51Å; L126-L152 HydrophobicContact CD2-CD2 4.35Å; I138-L152 HydrophobicContact CD1-CB 4.44Å; N141-L152 HydrophobicContact CB-CD2 4.41Å; L152-M154 HydrophobicContact CD2-SD 3.9Å; L152-M154 HydrophobicContact CG-SD 4.27Å; L152-M154 PolarHBondContact O-N 2.8Å
153D85.5Confident80.4Confident9 Ų967.9 Ų67.95%0.04835%0.354CS..  trans-75.497.1-178.9-167.557.1000111.8R80 L103 S155 I161 D163 R165R80-D153 IonicContact CZ-OD1 3.86Å; R80-D153 IonicContact CZ-OD2 2.75Å; R80-D153 IonicContact NH1-OD1 3.15Å; R80-D153 PolarHBondContact NH1-OD1 2.8Å; R80-D153 VanDerWaalsContact NH1-OD1 3.15Å; R80-D153 IonicContact NH1-OD2 2.74Å; R80-D153 PolarHBondContact NH1-OD2 2.83Å; R80-D153 IonicContact NH2-OD1 2.69Å; R80-D153 PolarHBondContact NH2-OD1 3.03Å; R80-D153 IonicContact NH2-OD2 2.77Å; L103-D153 HydrophobicContact CD1-CB 3.6Å; D153-S155 PolarHBondContact O-N 3.38Å; D153-S155 WeakPolarHBondContact OD2-CB 3.5Å; D153-S155 PolarHBondContact OD2-OG 2.75Å; D153-I161 HydrophobicContact CB-CG2 4.34Å; D153-I161 WeakPolarHBondContact O-CG2 3.07Å; D153-D163 HydrophobicContact CB-CB 4.19Å; D153-D163 PolarHBondContact N-O 3.43Å; D153-R165 HydrophobicContact CB-CB 4.33Å
154M73.3Confident80.5Confident95 Ų9562.5 Ų62.547%0.46833%0.333SS..  trans-84.824.7178.9-60.3-58.2-63.800113L152 S156 Q159L152-M154 HydrophobicContact CD2-SD 3.9Å; L152-M154 HydrophobicContact CG-SD 4.27Å; L152-M154 PolarHBondContact O-N 2.8Å; M154-S156 PolarHBondContact O-N 3.35Å; M154-Q159 HydrophobicContact CE-CG 4.41Å
155S68.8Low80.5Confident73 Ų7362.3 Ų62.351%0.5133%0.327SS..  trans-72.8-11.6-173.370.70000114.2D153D153-S155 PolarHBondContact O-N 3.38Å; D153-S155 WeakPolarHBondContact OD2-CB 3.5Å; D153-S155 PolarHBondContact OD2-OG 2.75Å
156S62.1Low80.6Confident35 Ų3560.8 Ų60.825%0.24532%0.32CS..  trans-88.8137.5173-135.30000112.3M154 D158 I161M154-S156 PolarHBondContact O-N 3.35Å; S156-D158 PolarHBondContact O-N 3.4Å; S156-I161 VanDerWaalsContact CB-CG1 3.46Å; S156-I161 WeakPolarHBondContact OG-CD1 3.42Å
157F55.4Low80.6Confident207 Ų20756.5 Ų56.591%0.90829%0.291SS*.THydrogen-bonded Turntrans-63.1-29.3165.7-72.2-83000112.6Q159F157-Q159 PolarHBondContact O-N 3.41Å
158D59.1Low80.6Confident122 Ų12260.5 Ų60.565%0.65231%0.308SS*.THydrogen-bonded Turntrans-77.3-2.4-174.5-60-16.5000113.8S156 T160S156-D158 PolarHBondContact O-N 3.4Å; D158-T160 HydrophobicContact CB-CG2 4.06Å; D158-T160 WeakPolarHBondContact O-CG2 3.21Å; D158-T160 PolarHBondContact O-N 3.15Å
159Q56.3Low80.7Confident142 Ų14256.2 Ų56.266%0.66428%0.282SS*.SBendtrans52.68.4-172.9-58.9-177.56.700114.9M154 F157M154-Q159 HydrophobicContact CE-CG 4.41Å; F157-Q159 PolarHBondContact O-N 3.41Å
160T63.1Low80.8Confident82 Ų8257.9 Ų57.950%0.50329%0.291SS..  trans-87-1.6-178.458.10000113.8D158 L162D158-T160 HydrophobicContact CB-CG2 4.06Å; D158-T160 WeakPolarHBondContact O-CG2 3.21Å; D158-T160 PolarHBondContact O-N 3.15Å; T160-L162 PolarHBondContact O-N 3.02Å
161I68Low80.8Confident43 Ų4363.6 Ų63.622%0.22131%0.313CS..  trans-83.8114.2179.7-68.2-175.6000108.9D153 S156 D163D153-I161 HydrophobicContact CB-CG2 4.34Å; D153-I161 WeakPolarHBondContact O-CG2 3.07Å; S156-I161 VanDerWaalsContact CB-CG1 3.46Å; S156-I161 WeakPolarHBondContact OG-CD1 3.42Å; I161-D163 VanDerWaalsContact C-N 3.33Å; I161-D163 HydrophobicContact CG2-CB 3.64Å
162L82.8Confident81.1Confident21 Ų2165.6 Ų65.611%0.1133%0.328CS..  trans-98.816.9-179-55.7173.7000111.6C106 P108 L126 W128 T160 Y181C106-L162 HydrophobicContact CB-CB 4.12Å; P108-L162 HydrophobicContact CG-CD1 3.5Å; L126-L162 HydrophobicContact CB-CD2 4.17Å; L126-L162 HydrophobicContact CD1-CB 3.89Å; L126-L162 HydrophobicContact CD1-CD1 4.32Å; L126-L162 HydrophobicContact CD1-CD2 4.34Å; L126-L162 HydrophobicContact CD1-CG 4.4Å; L126-L162 HydrophobicContact CD2-CB 3.86Å; L126-L162 HydrophobicContact CD2-CD2 3.79Å; L126-L162 HydrophobicContact CD2-CG 4.38Å; L126-L162 HydrophobicContact CG-CB 4.46Å; L126-L162 HydrophobicContact CG-CD2 4.31Å; W128-L162 PolarHBondContact NE1-O 2.85Å; T160-L162 PolarHBondContact O-N 3.02Å; L162-Y181 HydrophobicContact CD1-CD2 3.53Å; L162-Y181 HydrophobicContact CD1-CE2 3.93Å; L162-Y181 HydrophobicContact CD1-CG 3.99Å; L162-Y181 HydrophobicContact CD2-CD2 4.39Å; L162-Y181 HydrophobicContact CD2-CE2 4.41Å
163D89.2Confident81.4Confident10 Ų1064.8 Ų64.85%0.05332%0.324CS..PPolyproline II helixtrans-76.8135.1-171-63.5-8.3000111L103 L104 T105 C106 D153 I161L103-D163 HydrophobicContact CD1-CB 3.63Å; L103-D163 HydrophobicContact CD2-CB 4.49Å; L103-D163 HydrophobicContact CG-CB 4.06Å; L104-D163 CarbonylContact O-C 3.59Å; L104-D163 VanDerWaalsContact O-CA 3.29Å; L104-D163 WeakPolarHBondContact O-CA 3.4Å; T105-D163 VanDerWaalsContact CA-OD1 3.22Å; T105-D163 WeakPolarHBondContact CA-OD1 3.28Å; C106-D163 PolarHBondContact N-OD1 2.79Å; D153-D163 HydrophobicContact CB-CB 4.19Å; D153-D163 PolarHBondContact N-O 3.43Å; I161-D163 VanDerWaalsContact C-N 3.33Å; I161-D163 HydrophobicContact CG2-CB 3.64Å
164L92.9Very high81.9Confident0 Ų067.6 Ų67.60%034%0.337CS..EExtended strand (participates in β ladder)trans-87.6117175.817166.8000109.7L104 W128 L137 I138 Y150 I166 Y177L104-L164 HydrophobicContact CB-CB 4.1Å; L104-L164 HydrophobicContact CD2-CD2 4.25Å; L104-L164 PolarHBondContact N-O 3.47Å; L104-L164 PolarHBondContact O-N 3.11Å; W128-L164 HydrophobicContact CB-CD2 4.35Å; W128-L164 HydrophobicContact CD2-CB 3.69Å; W128-L164 HydrophobicContact CD2-CD2 3.97Å; W128-L164 HydrophobicContact CD2-CG 4.43Å; W128-L164 VanDerWaalsContact CE2-CB 3.46Å; W128-L164 HydrophobicContact CE3-CB 4.21Å; W128-L164 HydrophobicContact CE3-CD2 3.94Å; W128-L164 HydrophobicContact CG-CB 4.03Å; W128-L164 HydrophobicContact CG-CD2 4.18Å; W128-L164 HydrophobicContact CH2-CB 4.27Å; W128-L164 HydrophobicContact CZ2-CB 3.75Å; W128-L164 HydrophobicContact CZ3-CB 4.48Å; L137-L164 HydrophobicContact CD1-CD2 3.9Å; I138-L164 HydrophobicContact CD1-CD1 3.52Å; I138-L164 HydrophobicContact CG1-CD1 4.34Å; Y150-L164 HydrophobicContact CD1-CD1 4.37Å; L164-I166 HydrophobicContact CD2-CD1 4.49Å; L164-I166 HydrophobicContact CD2-CG1 4.46Å; L164-I166 HydrophobicContact CG-CG1 4.21Å; L164-Y177 HydrophobicContact CD2-CD1 4.14Å
165R92.4Very high83Confident77 Ų7763.5 Ų63.529%0.29132%0.318SS..EExtended strand (participates in β ladder)trans-90.7131.5170.4-167.9177.493.2163.93.1110R80 T101 A102 L103 I151 D153 D167R80-R165 VanDerWaalsContact NH2-CD 3.27Å; T101-R165 HydrophobicContact CG2-CG 3.35Å; A102-R165 CarbonylContact O-C 3.56Å; A102-R165 WeakPolarHBondContact O-CA 3.36Å; L103-R165 HydrophobicContact CD1-CB 4.29Å; I151-R165 PolarHBondContact N-O 3.01Å; I151-R165 WeakPolarHBondContact O-CA 3.48Å; I151-R165 WeakPolarHBondContact O-CB 3.34Å; I151-R165 PolarHBondContact O-N 2.92Å; I151-R165 VanDerWaalsContact O-O 3.08Å; D153-R165 HydrophobicContact CB-CB 4.33Å; R165-D167 IonicContact CZ-OD1 3.63Å; R165-D167 IonicContact CZ-OD2 3.19Å; R165-D167 IonicContact NE-OD1 3.68Å; R165-D167 PolarHBondContact NE-OD1 3.07Å; R165-D167 IonicContact NE-OD2 3.17Å; R165-D167 PolarHBondContact NE-OD2 2.84Å; R165-D167 IonicContact NH2-OD1 2.73Å; R165-D167 IonicContact NH2-OD2 2.64Å; R165-D167 PolarHBondContact NH2-OD2 3.49Å
166I95.1Very high84.2Confident0 Ų061.6 Ų61.60%030%0.302CS..EExtended strand (participates in β ladder)trans-118.7110172.6-48.8177.3000107.2T101 A102 L104 R149 Y150 L164 V169 Y177 L194T101-I166 CarbonylContact C-O 3.53Å; T101-I166 VanDerWaalsContact CA-O 3.27Å; T101-I166 WeakPolarHBondContact CA-O 3.49Å; A102-I166 HydrophobicContact CB-CB 4.32Å; A102-I166 PolarHBondContact N-O 3.3Å; A102-I166 PolarHBondContact O-N 2.92Å; L104-I166 HydrophobicContact CD1-CD1 3.9Å; L104-I166 HydrophobicContact CD1-CG1 4.37Å; L104-I166 HydrophobicContact CD2-CD1 4.33Å; R149-I166 WeakPolarHBondContact O-CA 3.49Å; Y150-I166 HydrophobicContact CD1-CD1 4.18Å; Y150-I166 HydrophobicContact CD1-CG1 3.86Å; Y150-I166 HydrophobicContact CD1-CG2 4.29Å; Y150-I166 HydrophobicContact CE1-CD1 3.84Å; Y150-I166 HydrophobicContact CE1-CG1 4Å; Y150-I166 HydrophobicContact CE1-CG2 4.11Å; L164-I166 HydrophobicContact CD2-CD1 4.49Å; L164-I166 HydrophobicContact CD2-CG1 4.46Å; L164-I166 HydrophobicContact CG-CG1 4.21Å; I166-V169 HydrophobicContact CB-CG2 4.35Å; I166-V169 HydrophobicContact CG2-CG2 4.29Å; I166-Y177 HydrophobicContact CD1-CE1 4.34Å; I166-L194 HydrophobicContact CD1-CD2 3.98Å
167D93.7Very high85.8Confident22 Ų2260 Ų6012%0.11829%0.29CS..SBendtrans-84.5153.5176.3-68.6-32.1000111.8T101 R149 I151 R165 V169T101-D167 VanDerWaalsContact CG2-OD1 3.22Å; T101-D167 WeakPolarHBondContact CG2-OD1 3.36Å; T101-D167 PolarHBondContact OG1-OD1 2.81Å; R149-D167 WeakPolarHBondContact CB-O 3.47Å; R149-D167 WeakPolarHBondContact CD-O 3.39Å; R149-D167 WeakPolarHBondContact CG-O 3.28Å; R149-D167 PolarHBondContact NH1-O 3.29Å; R149-D167 PolarHBondContact O-N 3.06Å; R149-D167 VanDerWaalsContact O-N 3.08Å; I151-D167 WeakPolarHBondContact CD1-OD2 3.31Å; R165-D167 IonicContact CZ-OD1 3.63Å; R165-D167 IonicContact CZ-OD2 3.19Å; R165-D167 IonicContact NE-OD1 3.68Å; R165-D167 PolarHBondContact NE-OD1 3.07Å; R165-D167 IonicContact NE-OD2 3.17Å; R165-D167 PolarHBondContact NE-OD2 2.84Å; R165-D167 IonicContact NH2-OD1 2.73Å; R165-D167 IonicContact NH2-OD2 2.64Å; R165-D167 PolarHBondContact NH2-OD2 3.49Å; D167-V169 VanDerWaalsContact C-N 3.34Å; D167-V169 PolarHBondContact O-N 3.43Å
168H94.6Very high87.7Confident122 Ų12250.3 Ų50.357%0.56525%0.248SC*.SBendtrans46.756.2-179.8-55.7103.5000112.2N100 R149 Q170N100-H168 PolarHBondContact O-N 2.87Å; R149-H168 PolarHBondContact NH1-O 2.94Å; H168-Q170 PolarHBondContact O-N 2.74Å; H168-Q170 PolarHBondContact O-NE2 3.25Å
169V95.8Very high89.2Confident0 Ų044.5 Ų44.50%022%0.217CC..  trans-50.8128.4-176170.50000110.4A96 L98 N99 N100 A102 I166 D167 V196A96-V169 HydrophobicContact CB-CG2 4.39Å; L98-V169 WeakPolarHBondContact CD1-O 3.18Å; N99-V169 PolarHBondContact N-O 2.68Å; N100-V169 WeakPolarHBondContact O-CB 3.38Å; N100-V169 WeakPolarHBondContact O-CG2 3.09Å; N100-V169 PolarHBondContact O-N 3Å; A102-V169 HydrophobicContact CB-CG2 3.57Å; I166-V169 HydrophobicContact CB-CG2 4.35Å; I166-V169 HydrophobicContact CG2-CG2 4.29Å; D167-V169 VanDerWaalsContact C-N 3.34Å; D167-V169 PolarHBondContact O-N 3.43Å; V169-V196 HydrophobicContact CG1-CB 4.44Å; V169-V196 HydrophobicContact CG1-CG1 3.9Å; V169-V196 HydrophobicContact CG1-CG2 3.69Å
170Q95.7Very high90.9Very high72 Ų7239.6 Ų39.634%0.33620%0.195SC..  trans-105.5158.1177.4-62.6-54.2-4700110N99 H168 T172 D173N99-Q170 PolarHBondContact OD1-NE2 2.89Å; H168-Q170 PolarHBondContact O-N 2.74Å; H168-Q170 PolarHBondContact O-NE2 3.25Å; Q170-T172 PolarHBondContact O-N 2.92Å; Q170-D173 PolarHBondContact N-OD2 2.83Å; Q170-D173 VanDerWaalsContact O-CB 3.31Å; Q170-D173 WeakPolarHBondContact O-CB 3.47Å; Q170-D173 PolarHBondContact O-N 3.36Å
171R94.7Very high92Very high125 Ų12536.9 Ų36.947%0.47218%0.176SC..G310 helixtrans-59.1-32.3176.6-166.2170.8-161.5169.11.6112.6L98 D173 E174L98-R171 HydrophobicContact CD1-CB 4.36Å; R171-D173 PolarHBondContact O-N 3.38Å; R171-E174 WeakPolarHBondContact O-CB 3.31Å; R171-E174 PolarHBondContact O-N 2.84Å
172T95.1Very high92.8Very high102 Ų10236.2 Ų36.263%0.62618%0.175SC*.G310 helixtrans-69.8-7.8176.350.20000113.7R130 Q170R130-T172 VanDerWaalsContact CZ-O 3.24Å; R130-T172 PolarHBondContact NH1-O 2.88Å; R130-T172 PolarHBondContact NH2-O 3.23Å; Q170-T172 PolarHBondContact O-N 2.92Å
173D95.7Very high92.5Very high2 Ų236.3 Ų36.31%0.01118%0.175CC..G310 helixtrans-85.1-13.4176.1-57.9-27000112.2R149 Q170 R171 G175 Y177 L194R149-D173 IonicContact CZ-OD1 3.71Å; R149-D173 IonicContact CZ-OD2 3.65Å; R149-D173 IonicContact NH1-OD1 3.88Å; R149-D173 IonicContact NH1-OD2 3.43Å; R149-D173 PolarHBondContact NH1-OD2 3.39Å; R149-D173 IonicContact NH2-OD1 2.65Å; R149-D173 PolarHBondContact NH2-OD1 3.06Å; R149-D173 IonicContact NH2-OD2 3.07Å; R149-D173 PolarHBondContact NH2-OD2 3.13Å; Q170-D173 PolarHBondContact N-OD2 2.83Å; Q170-D173 VanDerWaalsContact O-CB 3.31Å; Q170-D173 WeakPolarHBondContact O-CB 3.47Å; Q170-D173 PolarHBondContact O-N 3.36Å; R171-D173 PolarHBondContact O-N 3.38Å; D173-G175 PolarHBondContact O-N 3.41Å; D173-Y177 VanDerWaalsContact O-CE2 3.31Å; D173-Y177 WeakPolarHBondContact O-CE2 3.4Å; D173-Y177 PolarHBondContact O-OH 2.69Å; D173-L194 HydrophobicContact CB-CD2 4.19Å
174E96Very high91.9Very high68 Ų6838.3 Ų38.332%0.31820%0.198SC..  trans-56.3137178.1-163.5178.4171.800111.3R130 R171 L194 V196R130-E174 PolarHBondContact NH2-O 2.92Å; R171-E174 WeakPolarHBondContact O-CB 3.31Å; R171-E174 PolarHBondContact O-N 2.84Å; E174-L194 VanDerWaalsContact CG-O 3.23Å; E174-L194 WeakPolarHBondContact CG-O 3.38Å; E174-V196 HydrophobicContact CB-CB 4.29Å; E174-V196 HydrophobicContact CB-CG2 3.84Å; E174-V196 HydrophobicContact CG-CG2 4.35Å
175G95.7Very high91Very high8 Ų844.2 Ų44.28%0.08223%0.226CC..EExtended strand (participates in β ladder)trans137.8-166.817600000114.8D173 Y177 L194D173-G175 PolarHBondContact O-N 3.41Å; G175-Y177 WeakPolarHBondContact O-CD2 3.46Å; G175-L194 PolarHBondContact N-O 2.85Å; G175-L194 VanDerWaalsContact N-O 3.08Å; G175-L194 PolarHBondContact O-N 3.48Å
176E95.6Very high90.2Very high34 Ų3442.5 Ų42.516%0.15922%0.224CC..EExtended strand (participates in β ladder)trans-93.8129.2-173.9-169.6-172.4150.800112.9T131 R191 V192 Y193T131-E176 VanDerWaalsContact CB-O 3.28Å; T131-E176 WeakPolarHBondContact CB-O 3.39Å; T131-E176 PolarHBondContact N-O 3.09Å; T131-E176 PolarHBondContact OG1-O 2.89Å; E176-R191 IonicContact OE1-CZ 3.36Å; E176-R191 VanDerWaalsContact OE1-CZ 3.22Å; E176-R191 IonicContact OE1-NE 3.52Å; E176-R191 PolarHBondContact OE1-NE 3.39Å; E176-R191 IonicContact OE1-NH2 3.4Å; E176-R191 PolarHBondContact OE1-NH2 3.1Å; E176-R191 IonicContact OE2-CZ 2.69Å; E176-R191 IonicContact OE2-NE 3.12Å; E176-R191 IonicContact OE2-NH2 2.88Å; E176-R191 PolarHBondContact OE2-NH2 3.49Å; E176-V192 CarbonylContact C-O 3.59Å; E176-V192 WeakPolarHBondContact CA-O 3.16Å; E176-Y193 HydrophobicContact CB-CD2 4.03Å
177Y95.6Very high89.5Confident0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-114.6147.1173.3-64.4-98.8000109.7L104 K129 R130 L137 Y150 L164 I166 D173 G175 V192 L194L104-Y177 HydrophobicContact CD2-CD1 4.11Å; L104-Y177 HydrophobicContact CD2-CD2 3.54Å; L104-Y177 HydrophobicContact CD2-CE2 4.19Å; L104-Y177 HydrophobicContact CD2-CG 3.5Å; K129-Y177 WeakPolarHBondContact O-CA 3.46Å; R130-Y177 HydrophobicContact CB-CD1 4.42Å; R130-Y177 HydrophobicContact CB-CE1 4.3Å; R130-Y177 HydrophobicContact CG-CE1 4.21Å; L137-Y177 HydrophobicContact CD1-CD1 3.5Å; L137-Y177 HydrophobicContact CD1-CE1 3.51Å; Y150-Y177 HydrophobicContact CE1-CE1 4.22Å; L164-Y177 HydrophobicContact CD2-CD1 4.14Å; I166-Y177 HydrophobicContact CD1-CE1 4.34Å; D173-Y177 VanDerWaalsContact O-CE2 3.31Å; D173-Y177 WeakPolarHBondContact O-CE2 3.4Å; D173-Y177 PolarHBondContact O-OH 2.69Å; G175-Y177 WeakPolarHBondContact O-CD2 3.46Å; Y177-V192 PolarHBondContact N-O 2.7Å; Y177-V192 PolarHBondContact O-N 2.81Å; Y177-V192 VanDerWaalsContact O-O 3.12Å; Y177-L194 HydrophobicContact CD2-CB 4.29Å; Y177-L194 HydrophobicContact CE2-CB 4.05Å; Y177-L194 HydrophobicContact CE2-CD2 4.3Å
178V94.2Very high89.1Confident4 Ų446 Ų462%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-123.5126.2177.6-179.80000109K129 T131 L180 K189 Q190 R191K129-V178 HydrophobicContact CG-CB 3.94Å; K129-V178 PolarHBondContact N-O 3.04Å; K129-V178 PolarHBondContact O-N 3.15Å; T131-V178 WeakPolarHBondContact OG1-CG2 3.31Å; V178-L180 HydrophobicContact CG1-CD2 3.95Å; V178-L180 HydrophobicContact CG1-CG 4.05Å; V178-K189 HydrophobicContact CG1-CD 4.43Å; V178-K189 HydrophobicContact CG1-CG 3.9Å; V178-Q190 WeakPolarHBondContact CA-O 3.36Å; V178-R191 HydrophobicContact CG2-CG 4.35Å
179C92.2Very high88.8Confident0 Ų046 Ų460%024%0.239CC..EExtended strand (participates in β ladder)trans-93127.8165.8-179.20000108.8C106 L126 W128 K189 Q190C106-C179 HydrophobicContact CB-CB 3.6Å; C106-C179 WeakPolarHBondContact CB-SG 3.47Å; C106-C179 WeakPolarHBondContact SG-CB 3.26Å; C106-C179 CovalentContact SG-SG 2.02Å; C106-C179 PolarHBondContact SG-SG 3.2Å; L126-C179 WeakPolarHBondContact CD1-SG 3.47Å; W128-C179 HydrophobicContact CD2-CB 4.09Å; W128-C179 HydrophobicContact CE3-CB 4.04Å; W128-C179 HydrophobicContact CH2-CB 3.77Å; W128-C179 HydrophobicContact CZ2-CB 3.81Å; W128-C179 HydrophobicContact CZ3-CB 3.88Å; C179-K189 WeakPolarHBondContact O-CA 3.43Å; C179-Q190 HydrophobicContact CB-CB 4.43Å; C179-Q190 PolarHBondContact N-O 2.77Å; C179-Q190 PolarHBondContact O-N 2.81Å
180L91.1Very high88.5Confident39 Ų3946.5 Ų46.520%0.20424%0.242CC..EExtended strand (participates in β ladder)trans-117.1124.3170.7-61.8171.8000107.9L126 L127 V178 V187 Y188 K189L126-L180 CarbonylContact C-O 3.59Å; L126-L180 WeakPolarHBondContact CA-O 3.49Å; L127-L180 HydrophobicContact CB-CB 4.31Å; L127-L180 HydrophobicContact CD2-CD1 4.27Å; L127-L180 PolarHBondContact N-O 2.82Å; L127-L180 PolarHBondContact O-N 3.24Å; V178-L180 HydrophobicContact CG1-CD2 3.95Å; V178-L180 HydrophobicContact CG1-CG 4.05Å; L180-V187 HydrophobicContact CD2-CG1 4.42Å; L180-Y188 WeakPolarHBondContact CA-O 3.48Å; L180-K189 HydrophobicContact CD2-CB 3.78Å; L180-K189 HydrophobicContact CD2-CD 4.07Å; L180-K189 HydrophobicContact CD2-CG 3.68Å
181Y86.4Confident88.3Confident26 Ų2647.5 Ų47.510%0.10224%0.242CC..EExtended strand (participates in β ladder)trans-124.3125.2173.8177.1-95.8000109.3P108 L113 T125 L126 L162 N183 V187 Y188P108-Y181 HydrophobicContact CB-CD1 3.98Å; P108-Y181 HydrophobicContact CB-CE1 4.48Å; P108-Y181 HydrophobicContact CG-CD1 3.73Å; P108-Y181 HydrophobicContact CG-CD2 4.5Å; P108-Y181 HydrophobicContact CG-CE1 4.37Å; P108-Y181 HydrophobicContact CG-CG 3.78Å; L113-Y181 HydrophobicContact CD2-CE1 3.94Å; T125-Y181 CarbonylContact O-C 3.58Å; T125-Y181 VanDerWaalsContact O-CA 3.28Å; T125-Y181 WeakPolarHBondContact O-CA 3.41Å; L126-Y181 HydrophobicContact CB-CD2 4.41Å; L162-Y181 HydrophobicContact CD1-CD2 3.53Å; L162-Y181 HydrophobicContact CD1-CE2 3.93Å; L162-Y181 HydrophobicContact CD1-CG 3.99Å; L162-Y181 HydrophobicContact CD2-CD2 4.39Å; L162-Y181 HydrophobicContact CD2-CE2 4.41Å; Y181-N183 HydrophobicContact CE1-CB 4.5Å; Y181-V187 CarbonylContact O-C 3.5Å; Y181-V187 WeakPolarHBondContact O-CA 3.48Å; Y181-Y188 PolarHBondContact N-O 2.85Å; Y181-Y188 PolarHBondContact O-N 2.85Å
182S84.2Confident88.2Confident28 Ų2841.5 Ų41.520%0.19622%0.22CC..EExtended strand (participates in β ladder)trans-121.7126.4-179.2-178.80000110.7G124 T125 G184 T186G124-S182 CarbonylContact C-O 3.59Å; G124-S182 VanDerWaalsContact CA-O 3.25Å; G124-S182 WeakPolarHBondContact CA-O 3.3Å; T125-S182 PolarHBondContact N-O 3.48Å; T125-S182 PolarHBondContact O-N 3.24Å; S182-G184 VanDerWaalsContact C-N 3.29Å; S182-G184 PolarHBondContact OG-N 3.21Å; S182-T186 WeakPolarHBondContact CA-O 3.46Å
183N76.8Confident88.2Confident24 Ų2440.4 Ų40.413%0.12821%0.205CC..  trans-9417.6170.967.6-1.5000112.6L112 Y181 Q185 T186L112-N183 PolarHBondContact O-ND2 3.29Å; Y181-N183 HydrophobicContact CE1-CB 4.5Å; N183-Q185 PolarHBondContact O-N 2.67Å; N183-Q185 PolarHBondContact OD1-N 3.44Å; N183-Q185 VanDerWaalsContact OD1-N 3.15Å; N183-T186 PolarHBondContact N-O 3.07Å; N183-T186 PolarHBondContact ND2-OG1 2.93Å; N183-T186 PolarHBondContact OD1-N 3.03Å; N183-T186 PolarHBondContact OD1-O 3.16Å; N183-T186 PolarHBondContact OD1-OG1 2.81Å
184G75.8Confident88.2Confident51 Ų5140.3 Ų40.353%0.52620%0.204SC..SBendtrans84.6-24-17600000114.4M58 S182M58-G184 WeakPolarHBondContact CE-O 3.4Å; S182-G184 VanDerWaalsContact C-N 3.29Å; S182-G184 PolarHBondContact OG-N 3.21Å
185Q75.3Confident88.1Confident124 Ų12438.8 Ų38.858%0.57920%0.198SC*.SBendtrans-108.7-33.2177.9-61.1-177.11300112.9N183N183-Q185 PolarHBondContact O-N 2.67Å; N183-Q185 PolarHBondContact OD1-N 3.44Å; N183-Q185 VanDerWaalsContact OD1-N 3.15Å
186T74.7Confident88.2Confident41 Ų4138.5 Ų38.525%0.25220%0.195SC..  trans-137.8142.5-173.857.10000110.6L112 S182 N183L112-T186 HydrophobicContact CD2-CG2 4.37Å; L112-T186 VanDerWaalsContact CD2-OG1 3.28Å; L112-T186 WeakPolarHBondContact CD2-OG1 3.32Å; S182-T186 WeakPolarHBondContact CA-O 3.46Å; N183-T186 PolarHBondContact N-O 3.07Å; N183-T186 PolarHBondContact ND2-OG1 2.93Å; N183-T186 PolarHBondContact OD1-N 3.03Å; N183-T186 PolarHBondContact OD1-O 3.16Å; N183-T186 PolarHBondContact OD1-OG1 2.81Å
187V81.7Confident88.2Confident49 Ų4938.1 Ų38.130%0.29719%0.194SC..EExtended strand (participates in β ladder)trans-111.4115.7177.5-176.70000109.5M58 L180 Y181M58-V187 HydrophobicContact SD-CG2 4.18Å; L180-V187 HydrophobicContact CD2-CG1 4.42Å; Y181-V187 CarbonylContact O-C 3.5Å; Y181-V187 WeakPolarHBondContact O-CA 3.48Å
188Y84.2Confident88.2Confident47 Ų4738.4 Ų38.418%0.18420%0.196CC..EExtended strand (participates in β ladder)trans-81.9132.2166.2179.7-104.8000109.7R107 P108 L112 L180 Y181 Q190R107-Y188 VanDerWaalsContact O-CZ 3.28Å; R107-Y188 PolarHBondContact O-OH 3.3Å; R107-Y188 VanDerWaalsContact O-OH 3.05Å; P108-Y188 HydrophobicContact CB-CD1 3.92Å; P108-Y188 HydrophobicContact CB-CD2 4.47Å; P108-Y188 HydrophobicContact CB-CE1 4.38Å; P108-Y188 HydrophobicContact CB-CG 3.96Å; P108-Y188 HydrophobicContact CG-CD1 3.81Å; P108-Y188 HydrophobicContact CG-CE1 4.24Å; P108-Y188 HydrophobicContact CG-CG 4.32Å; L112-Y188 HydrophobicContact CD1-CD2 4.07Å; L112-Y188 HydrophobicContact CD1-CG 4.43Å; L180-Y188 WeakPolarHBondContact CA-O 3.48Å; Y181-Y188 PolarHBondContact N-O 2.85Å; Y181-Y188 PolarHBondContact O-N 2.85Å; Y188-Q190 HydrophobicContact CE1-CB 3.62Å; Y188-Q190 HydrophobicContact CE1-CG 4.48Å; Y188-Q190 PolarHBondContact OH-OE1 3.03Å
189K87.9Confident88.3Confident122 Ų12239.1 Ų39.153%0.5320%0.2SC..EExtended strand (participates in β ladder)trans-128.5123.9176.6177.5177.8178.5-177.30109.4V178 C179 L180V178-K189 HydrophobicContact CG1-CD 4.43Å; V178-K189 HydrophobicContact CG1-CG 3.9Å; C179-K189 WeakPolarHBondContact O-CA 3.43Å; L180-K189 HydrophobicContact CD2-CB 3.78Å; L180-K189 HydrophobicContact CD2-CD 4.07Å; L180-K189 HydrophobicContact CD2-CG 3.68Å
190Q89.1Confident88.5Confident11 Ų1139.5 Ų39.55%0.05120%0.203CC..EExtended strand (participates in β ladder)trans-124.7134.7174.5-168.9-179.1-43.300110I92 T105 R107 V178 C179 Y188 V192I92-Q190 HydrophobicContact CD1-CG 4.31Å; T105-Q190 PolarHBondContact O-NE2 2.78Å; R107-Q190 VanDerWaalsContact N-OE1 3.15Å; V178-Q190 WeakPolarHBondContact CA-O 3.36Å; C179-Q190 HydrophobicContact CB-CB 4.43Å; C179-Q190 PolarHBondContact N-O 2.77Å; C179-Q190 PolarHBondContact O-N 2.81Å; Y188-Q190 HydrophobicContact CE1-CB 3.62Å; Y188-Q190 HydrophobicContact CE1-CG 4.48Å; Y188-Q190 PolarHBondContact OH-OE1 3.03Å; Q190-V192 HydrophobicContact CG-CG2 4.34Å
191R92.3Very high88.8Confident92 Ų9241.7 Ų41.735%0.34722%0.218SC..EExtended strand (participates in β ladder)trans-103.5129.7177-59.7173.772.9-167-0.8108.4I91 I92 E176 V178I91-R191 WeakPolarHBondContact CA-O 3.28Å; I91-R191 HydrophobicContact CB-CB 4.47Å; I91-R191 HydrophobicContact CG1-CB 4Å; I91-R191 HydrophobicContact CG2-CB 4.38Å; I92-R191 PolarHBondContact N-O 3.3Å; E176-R191 IonicContact OE1-CZ 3.36Å; E176-R191 VanDerWaalsContact OE1-CZ 3.22Å; E176-R191 IonicContact OE1-NE 3.52Å; E176-R191 PolarHBondContact OE1-NE 3.39Å; E176-R191 IonicContact OE1-NH2 3.4Å; E176-R191 PolarHBondContact OE1-NH2 3.1Å; E176-R191 IonicContact OE2-CZ 2.69Å; E176-R191 IonicContact OE2-NE 3.12Å; E176-R191 IonicContact OE2-NH2 2.88Å; E176-R191 PolarHBondContact OE2-NH2 3.49Å; V178-R191 HydrophobicContact CG2-CG 4.35Å
192V92.9Very high89.2Confident0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-127.9128.1-179.5-176.10000108.1I92 I94 L104 W128 E176 Y177 Q190I92-V192 HydrophobicContact CB-CG2 4.4Å; I92-V192 CarbonylContact O-C 3.55Å; I92-V192 VanDerWaalsContact O-CA 3.26Å; I92-V192 WeakPolarHBondContact O-CA 3.42Å; I94-V192 HydrophobicContact CD1-CG1 3.51Å; I94-V192 HydrophobicContact CG1-CG1 3.93Å; L104-V192 HydrophobicContact CB-CG1 4.3Å; L104-V192 HydrophobicContact CD2-CG1 4.23Å; L104-V192 HydrophobicContact CG-CG1 3.93Å; W128-V192 HydrophobicContact CH2-CG2 4.24Å; W128-V192 HydrophobicContact CZ3-CG2 4.47Å; E176-V192 CarbonylContact C-O 3.59Å; E176-V192 WeakPolarHBondContact CA-O 3.16Å; Y177-V192 PolarHBondContact N-O 2.7Å; Y177-V192 PolarHBondContact O-N 2.81Å; Y177-V192 VanDerWaalsContact O-O 3.12Å; Q190-V192 HydrophobicContact CG-CG2 4.34Å
193Y94.5Very high89.7Confident78 Ų7842.4 Ų42.431%0.30623%0.225SC..EExtended strand (participates in β ladder)trans-106.7119.9174.3-165.5-79.2000109.3I92 K93 I94 E176 N195I92-Y193 PolarHBondContact O-N 2.77Å; K93-Y193 CarbonylContact C-O 3.52Å; K93-Y193 WeakPolarHBondContact CA-O 3.43Å; I94-Y193 PolarHBondContact N-O 2.83Å; E176-Y193 HydrophobicContact CB-CD2 4.03Å; Y193-N195 WeakPolarHBondContact CD1-OD1 3.29Å; Y193-N195 WeakPolarHBondContact CE1-OD1 3.42Å
194L95.7Very high90.4Very high0 Ų046.5 Ų46.50%024%0.243CC..EExtended strand (participates in β ladder)trans-90.3115.7174.9179.563.1000109.4I94 A96 A102 L104 I166 D173 E174 G175 Y177 V196I94-L194 HydrophobicContact CG2-CD1 4.42Å; A96-L194 HydrophobicContact CB-CD1 3.8Å; A102-L194 HydrophobicContact CB-CD1 3.88Å; A102-L194 HydrophobicContact CB-CD2 4.32Å; L104-L194 HydrophobicContact CD1-CD1 4.18Å; L104-L194 HydrophobicContact CD1-CD2 4.34Å; I166-L194 HydrophobicContact CD1-CD2 3.98Å; D173-L194 HydrophobicContact CB-CD2 4.19Å; E174-L194 VanDerWaalsContact CG-O 3.23Å; E174-L194 WeakPolarHBondContact CG-O 3.38Å; G175-L194 PolarHBondContact N-O 2.85Å; G175-L194 VanDerWaalsContact N-O 3.08Å; G175-L194 PolarHBondContact O-N 3.48Å; Y177-L194 HydrophobicContact CD2-CB 4.29Å; Y177-L194 HydrophobicContact CE2-CB 4.05Å; Y177-L194 HydrophobicContact CE2-CD2 4.3Å; L194-V196 HydrophobicContact CD2-CG2 4.34Å; L194-V196 HydrophobicContact CG-CG2 4.24Å
195N95.4Very high91Very high37 Ų3752 Ų5220%0.19826%0.26CS..EExtended strand (participates in β ladder)trans-92122.4166.9-70.7-42.2000109I94 K95 A96 Y193I94-N195 PolarHBondContact O-N 3.28Å; K95-N195 WeakPolarHBondContact CA-O 3.28Å; K95-N195 HydrophobicContact CG-CB 4.08Å; A96-N195 PolarHBondContact N-O 3.34Å; Y193-N195 WeakPolarHBondContact CD1-OD1 3.29Å; Y193-N195 WeakPolarHBondContact CE1-OD1 3.42Å
196V96.2Very high91.8Very high2 Ų247.9 Ų47.91%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-94.7112.6177-178.70000109.4A96 L98 V169 E174 L194A96-V196 CarbonylContact O-C 3.53Å; A96-V196 WeakPolarHBondContact O-CA 3.38Å; L98-V196 HydrophobicContact CB-CG1 4.44Å; L98-V196 HydrophobicContact CD1-CG1 4.14Å; V169-V196 HydrophobicContact CG1-CB 4.44Å; V169-V196 HydrophobicContact CG1-CG1 3.9Å; V169-V196 HydrophobicContact CG1-CG2 3.69Å; E174-V196 HydrophobicContact CB-CB 4.29Å; E174-V196 HydrophobicContact CB-CG2 3.84Å; E174-V196 HydrophobicContact CG-CG2 4.35Å; L194-V196 HydrophobicContact CD2-CG2 4.34Å; L194-V196 HydrophobicContact CG-CG2 4.24Å
197L95.9Very high92.8Very high26 Ų2646.5 Ų46.514%0.13624%0.238CC..EExtended strand (participates in β ladder)trans-86141.9175.3-52.2-174.2000109.6K95 A96 V97 L98 V229 L284K95-L197 HydrophobicContact CB-CD1 3.89Å; K95-L197 HydrophobicContact CB-CG 4.14Å; K95-L197 HydrophobicContact CD-CD1 4.34Å; K95-L197 HydrophobicContact CG-CD1 4.48Å; A96-L197 PolarHBondContact O-N 3.5Å; V97-L197 CarbonylContact C-O 3.55Å; V97-L197 WeakPolarHBondContact CA-O 3.46Å; V97-L197 HydrophobicContact CG2-CB 4.45Å; L98-L197 PolarHBondContact N-O 2.75Å; L197-V229 CarbonylContact C-O 3.58Å; L197-V229 VanDerWaalsContact CA-O 3.31Å; L197-V229 WeakPolarHBondContact CA-O 3.07Å; L197-V229 WeakPolarHBondContact CB-O 3.01Å; L197-L284 HydrophobicContact CB-CD1 4.1Å; L197-L284 HydrophobicContact CB-CD2 4.15Å; L197-L284 HydrophobicContact CD1-CD2 3.72Å
198V96Very high93.4Very high6 Ų644.7 Ų44.74%0.03623%0.227CC..EExtended strand (participates in β ladder)trans-122.1121.7-177.4-175.30000108.9L98 W227 V229 N282L98-V198 HydrophobicContact CB-CG2 4.41Å; L98-V198 HydrophobicContact CD2-CG1 4.12Å; V198-W227 HydrophobicContact CB-CH2 3.9Å; V198-W227 HydrophobicContact CB-CZ3 4.33Å; V198-W227 HydrophobicContact CG1-CH2 3.61Å; V198-W227 HydrophobicContact CG1-CZ3 3.56Å; V198-W227 HydrophobicContact CG2-CH2 4.01Å; V198-V229 HydrophobicContact CB-CB 4.03Å; V198-V229 HydrophobicContact CB-CG2 4.13Å; V198-V229 HydrophobicContact CG2-CB 4.09Å; V198-V229 HydrophobicContact CG2-CG2 4Å; V198-V229 PolarHBondContact N-O 3.48Å; V198-V229 PolarHBondContact O-N 2.77Å; V198-N282 PolarHBondContact O-ND2 3.07Å
199P96.1Very high94Very high19 Ų1946.3 Ų46.312%0.12324%0.243CC..EExtended strand (participates in β ladder)trans-53.7151.3172.8-26.536.4000112.4V97 L284 E286V97-P199 HydrophobicContact CG1-CG 3.73Å; P199-L284 HydrophobicContact CB-CD1 4.49Å; P199-L284 HydrophobicContact CG-CD1 4.2Å; P199-E286 HydrophobicContact CB-CB 4.13Å; P199-E286 HydrophobicContact CG-CB 4.48Å
200P97.1Very high94.3Very high7 Ų744.4 Ų44.45%0.04524%0.242CC..EExtended strand (participates in β ladder)trans-66.6137.5-179.229.6-34.8000111.1W227 P232 A280 E286 T288P200-W227 CarbonylContact C-O 3.52Å; P200-W227 WeakPolarHBondContact CA-O 3.19Å; P200-P232 HydrophobicContact CB-CB 3.9Å; P200-P232 HydrophobicContact CB-CG 3.64Å; P200-A280 HydrophobicContact CB-CB 3.96Å; P200-A280 WeakPolarHBondContact CG-O 3.43Å; P200-E286 VanDerWaalsContact CD-O 3.22Å; P200-E286 WeakPolarHBondContact CD-O 3.5Å; P200-T288 HydrophobicContact CB-CG2 4Å; P200-T288 HydrophobicContact CG-CG2 4.13Å; P200-T288 WeakPolarHBondContact O-CG2 3.23Å
201V95.9Very high94.7Very high86 Ų8650.9 Ų50.952%0.52127%0.266SS..EExtended strand (participates in β ladder)trans-129126.3175.2-178.70000108.8A226 W227V201-A226 CarbonylContact O-C 3.47Å; V201-A226 VanDerWaalsContact O-CA 3.27Å; V201-A226 WeakPolarHBondContact O-CA 3.35Å; V201-W227 PolarHBondContact N-O 2.69Å; V201-W227 PolarHBondContact O-N 3.39Å
202I96.6Very high94.9Very high17 Ų1747.7 Ų47.79%0.08726%0.257CS..EExtended strand (participates in β ladder)trans-85.6129.5176.1-68.4162.2000109.3A226 A280 T288 W289 R290I202-A226 HydrophobicContact CG1-CB 3.96Å; I202-A280 HydrophobicContact CD1-CB 4.34Å; I202-A280 HydrophobicContact CG1-CB 4.2Å; I202-T288 HydrophobicContact CD1-CG2 3.83Å; I202-T288 HydrophobicContact CG1-CG2 3.76Å; I202-W289 VanDerWaalsContact CD1-C 3.47Å; I202-R290 HydrophobicContact CD1-CB 3.94Å; I202-R290 HydrophobicContact CG2-CB 4.24Å
203S94.7Very high95.1Very high51 Ų5151.6 Ų51.636%0.35728%0.277SS..  trans-80.8117.6176.2175.20000110.4S206 S207 K225S203-S206 WeakPolarHBondContact CB-OG 3.35Å; S203-S206 PolarHBondContact OG-OG 3.34Å; S203-S207 VanDerWaalsContact O-CB 3.26Å; S203-S207 WeakPolarHBondContact O-CB 3.32Å; S203-S207 PolarHBondContact O-N 3.02Å; S203-S207 PolarHBondContact O-OG 3.11Å; S203-K225 PolarHBondContact N-O 2.03Å
204E90.8Very high95.2Very high111 Ų11148 Ų4852%0.51926%0.263SS..SBendtrans-59-47.4177.8-69-63.7142.100112.5S206 S207 R290E204-S206 VanDerWaalsContact C-N 3.31Å; E204-S206 PolarHBondContact O-N 3.01Å; E204-S207 PolarHBondContact O-N 3.41Å; E204-R290 IonicContact OE1-CZ 2.81Å; E204-R290 IonicContact OE1-NH1 2.67Å; E204-R290 PolarHBondContact OE1-NH1 3.47Å; E204-R290 IonicContact OE2-CZ 3.52Å; E204-R290 IonicContact OE2-NH1 3.16Å; E204-R290 PolarHBondContact OE2-NH1 2.87Å; E204-R290 IonicContact OE2-NH2 3.29Å; E204-R290 PolarHBondContact OE2-NH2 2.77Å
205N89Confident95.3Very high165 Ų16551.3 Ų51.388%0.88228%0.279SS*.THydrogen-bonded Turntrans-74.7-18.7-172-64.6-3000114.3
206S91.9Very high95.2Very high38 Ų3852.7 Ų52.727%0.26628%0.284SS..THydrogen-bonded Turntrans-114.611.6-178.161.50000113.2S203 E204 K225S203-S206 WeakPolarHBondContact CB-OG 3.35Å; S203-S206 PolarHBondContact OG-OG 3.34Å; E204-S206 VanDerWaalsContact C-N 3.31Å; E204-S206 PolarHBondContact O-N 3.01Å; S206-K225 WeakPolarHBondContact OG-CB 3.3Å; S206-K225 WeakPolarHBondContact OG-CD 3.33Å
207S94.6Very high95.2Very high13 Ų1354.8 Ų54.89%0.09131%0.306CS..SBendtrans-109.9162.1171.6-59.70000109.7S203 E204 Q223 K225S203-S207 VanDerWaalsContact O-CB 3.26Å; S203-S207 WeakPolarHBondContact O-CB 3.32Å; S203-S207 PolarHBondContact O-N 3.02Å; S203-S207 PolarHBondContact O-OG 3.11Å; E204-S207 PolarHBondContact O-N 3.41Å; S207-Q223 CarbonylContact C-O 3.56Å; S207-Q223 WeakPolarHBondContact CA-O 3.34Å; S207-Q223 WeakPolarHBondContact CB-O 3.25Å; S207-K225 PolarHBondContact OG-N 2.85Å; S207-K225 VanDerWaalsContact OG-N 3.1Å
208S95.3Very high95.3Very high10 Ų1057.9 Ų57.97%0.0732%0.32CS..  trans-59.3149.9174.3-70.50000111.4L222 Q223 R290S208-L222 WeakPolarHBondContact OG-CA 3.35Å; S208-Q223 PolarHBondContact N-O 2.97Å; S208-Q223 PolarHBondContact OG-N 3.35Å; S208-R290 PolarHBondContact O-NE 3.45Å; S208-R290 PolarHBondContact O-NH2 2.78Å
209P95.4Very high95.3Very high81 Ų8161.1 Ų61.153%0.52635%0.347SS..  trans-60.9158.4173.627.4-35000110.8R211 V212P209-R211 WeakPolarHBondContact CG-O 3.41Å; P209-R211 PolarHBondContact O-N 3.41Å; P209-R211 VanDerWaalsContact O-N 3.09Å; P209-V212 HydrophobicContact CG-CG2 3.96Å
210T95.7Very high95.4Very high83 Ų8360.7 Ų60.751%0.50934%0.344SS..SBendtrans-60.4-21.5178.9-45.10000112.7I292 E293T210-I292 CarbonylContact O-C 3.56Å; T210-I292 WeakPolarHBondContact O-CA 3.5Å; T210-E293 PolarHBondContact O-N 3.22Å
211R96.7Very high95.4Very high146 Ų14664.6 Ų64.655%0.55136%0.363SS*.EExtended strand (participates in β ladder)trans-130125.6174.4-178.4175.1-73.2-112.6-2.4110.1P209 E293P209-R211 WeakPolarHBondContact CG-O 3.41Å; P209-R211 PolarHBondContact O-N 3.41Å; P209-R211 VanDerWaalsContact O-N 3.09Å; R211-E293 WeakPolarHBondContact CA-O 3.49Å; R211-E293 IonicContact CZ-OE2 3.15Å; R211-E293 IonicContact NE-OE2 3.49Å; R211-E293 IonicContact NH2-OE2 3.05Å; R211-E293 PolarHBondContact NH2-OE2 3.38Å
212V97.4Very high95.5Very high25 Ų2560.5 Ų60.515%0.15234%0.339CS..EExtended strand (participates in β ladder)trans-120132.5176.5176.70000107.9P209 V220 L222 I292 E293 L294 D295P209-V212 HydrophobicContact CG-CG2 3.96Å; V212-V220 HydrophobicContact CG1-CG1 4.33Å; V212-L222 HydrophobicContact CB-CD2 4.41Å; V212-L222 HydrophobicContact CG1-CD2 4.34Å; V212-L222 HydrophobicContact CG2-CD2 4.09Å; V212-I292 HydrophobicContact CB-CG2 4.4Å; V212-I292 HydrophobicContact CG2-CG2 3.8Å; V212-E293 PolarHBondContact N-O 3.3Å; V212-L294 HydrophobicContact CB-CD1 3.88Å; V212-L294 HydrophobicContact CG1-CD1 3.67Å; V212-L294 WeakPolarHBondContact O-CA 3.42Å; V212-D295 PolarHBondContact O-N 3.26Å
213I96.4Very high95.5Very high82 Ų8263.5 Ų63.542%0.42135%0.352SS..EExtended strand (participates in β ladder)trans-109.7131.8176.1-62.2167.5000107.4D295 R297I213-D295 WeakPolarHBondContact CA-O 3.48Å; I213-D295 HydrophobicContact CG1-CB 4.22Å; I213-R297 HydrophobicContact CG2-CG 3.96Å; I213-R297 VanDerWaalsContact CG2-NE 3.35Å
214A96.9Very high95.7Very high3 Ų361.1 Ų61.13%0.02534%0.335CS..EExtended strand (participates in β ladder)trans-138.3150.8177.400000110.6V220 I268 L294 D295 V296 R297A214-V220 HydrophobicContact CB-CG2 3.37Å; A214-I268 HydrophobicContact CB-CG2 4.22Å; A214-L294 HydrophobicContact CB-CD1 4.29Å; A214-D295 PolarHBondContact N-O 2.92Å; A214-V296 CarbonylContact O-C 3.47Å; A214-V296 WeakPolarHBondContact O-CA 3.4Å; A214-R297 PolarHBondContact O-N 2.96Å
215H96.4Very high95.9Very high70 Ų7061.3 Ų61.332%0.32433%0.334SS..EExtended strand (participates in β ladder)trans-94.8141.4175-63.5-98.5000111G217 E218 I268 R297 F395H215-G217 PolarHBondContact O-N 2.82Å; H215-E218 HydrophobicContact CB-CG 4.05Å; H215-E218 IonicContact CD2-OE1 2.73Å; H215-E218 IonicContact CD2-OE2 3.72Å; H215-E218 PolarHBondContact N-OE2 2.79Å; H215-E218 VanDerWaalsContact O-CB 3.27Å; H215-E218 WeakPolarHBondContact O-CB 2.97Å; H215-E218 WeakPolarHBondContact O-CG 3.37Å; H215-E218 PolarHBondContact O-N 2.84Å; H215-I268 WeakPolarHBondContact O-CG2 3.14Å; H215-R297 WeakPolarHBondContact CA-O 3.49Å; H215-F395 AromaticContact ND1-CE1 3.77Å; H215-F395 AromaticContact ND1-CZ 3.83Å
216E95.2Very high96.3Very high66 Ų6653.6 Ų53.631%0.30829%0.294SS..THydrogen-bonded Turntrans-53.4128.7177.2-179.7163.5-115.300111I268 R270 V296 R297 Y298E216-I268 CarbonylContact C-O 3.54Å; E216-I268 WeakPolarHBondContact CA-O 3.42Å; E216-R270 IonicContact OE1-CZ 2.97Å; E216-R270 PolarHBondContact OE1-N 3.31Å; E216-R270 VanDerWaalsContact OE1-N 3.09Å; E216-R270 IonicContact OE1-NE 2.76Å; E216-R270 PolarHBondContact OE1-NE 2.82Å; E216-R270 VanDerWaalsContact OE1-NE 3.15Å; E216-R270 IonicContact OE1-NH2 2.76Å; E216-R270 IonicContact OE2-CZ 3.15Å; E216-R270 IonicContact OE2-NE 3.78Å; E216-R270 IonicContact OE2-NH2 3.63Å; E216-R270 PolarHBondContact OE2-NH2 2.9Å; E216-V296 HydrophobicContact CB-CG1 4.28Å; E216-R297 PolarHBondContact N-O 2.94Å; E216-Y298 VanDerWaalsContact OE2-CB 3.28Å; E216-Y298 WeakPolarHBondContact OE2-CB 3.41Å
217G95.6Very high96.4Very high46 Ų4656.7 Ų56.747%0.47430%0.3SS..THydrogen-bonded Turntrans97.9-17-17300000115.3H215 N267 I268H215-G217 PolarHBondContact O-N 2.82Å; G217-N267 WeakPolarHBondContact CA-OD1 3.31Å; G217-I268 PolarHBondContact N-O 2.76Å
218E96.8Very high96.5Very high91 Ų9156.2 Ų56.243%0.42530%0.296SS..  trans-77158.4-179.8-66.7-178.3157.600113.4H215 I268H215-E218 HydrophobicContact CB-CG 4.05Å; H215-E218 IonicContact CD2-OE1 2.73Å; H215-E218 IonicContact CD2-OE2 3.72Å; H215-E218 PolarHBondContact N-OE2 2.79Å; H215-E218 VanDerWaalsContact O-CB 3.27Å; H215-E218 WeakPolarHBondContact O-CB 2.97Å; H215-E218 WeakPolarHBondContact O-CG 3.37Å; H215-E218 PolarHBondContact O-N 2.84Å; E218-I268 HydrophobicContact CB-CG2 4.28Å; E218-I268 VanDerWaalsContact O-CG2 3.29Å; E218-I268 WeakPolarHBondContact O-CG2 3.45Å; E218-I268 PolarHBondContact O-N 2.97Å
219A97.2Very high96.5Very high73 Ų7357.6 Ų57.660%0.60331%0.305SS*.  trans-88.9130.9168.200000110.4I265A219-I265 CarbonylContact C-O 3.49Å; A219-I265 VanDerWaalsContact CA-O 3.23Å; A219-I265 WeakPolarHBondContact CA-O 3.49Å
220V97.6Very high96.5Very high10 Ų1057 Ų576%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-117.5135.6-178.3-179.60000110.1V212 A214 L222 I264 I265 I268 L294V212-V220 HydrophobicContact CG1-CG1 4.33Å; A214-V220 HydrophobicContact CB-CG2 3.37Å; V220-L222 HydrophobicContact CG1-CD2 3.82Å; V220-L222 HydrophobicContact CG1-CG 4.25Å; V220-I264 WeakPolarHBondContact O-CA 3.47Å; V220-I265 HydrophobicContact CB-CB 4.33Å; V220-I265 PolarHBondContact N-O 2.73Å; V220-I265 PolarHBondContact O-N 3.43Å; V220-I268 HydrophobicContact CG2-CB 4.07Å; V220-I268 HydrophobicContact CG2-CG1 4.31Å; V220-I268 HydrophobicContact CG2-CG2 4.21Å; V220-L294 HydrophobicContact CG1-CD1 4.14Å
221I97.3Very high96.5Very high90 Ų9058.5 Ų58.546%0.46230%0.302SS..EExtended strand (participates in β ladder)trans-116.6110.9174.2-54.6178.7000108.5Q223 I264I221-Q223 HydrophobicContact CG2-CG 4.11Å; I221-I264 HydrophobicContact CG1-CG1 4.21Å; I221-I264 HydrophobicContact CG1-CG2 4.4Å; I221-I264 HydrophobicContact CG2-CG1 4.28Å
222L97.9Very high96.5Very high0 Ų052 Ų520%028%0.278CS..EExtended strand (participates in β ladder)trans-92.9121171.6-56.3-175.2000109.3S208 V212 V220 W236 Q262 L263 Y276 I292S208-L222 WeakPolarHBondContact OG-CA 3.35Å; V212-L222 HydrophobicContact CB-CD2 4.41Å; V212-L222 HydrophobicContact CG1-CD2 4.34Å; V212-L222 HydrophobicContact CG2-CD2 4.09Å; V220-L222 HydrophobicContact CG1-CD2 3.82Å; V220-L222 HydrophobicContact CG1-CG 4.25Å; L222-W236 HydrophobicContact CB-CH2 3.66Å; L222-W236 HydrophobicContact CB-CZ2 4.46Å; L222-W236 HydrophobicContact CB-CZ3 3.88Å; L222-W236 HydrophobicContact CD1-CZ3 4.26Å; L222-W236 WeakPolarHBondContact O-CZ2 3.12Å; L222-Q262 CarbonylContact O-C 3.59Å; L222-Q262 VanDerWaalsContact O-CA 3.3Å; L222-Q262 WeakPolarHBondContact O-CA 3.26Å; L222-L263 HydrophobicContact CB-CB 4.34Å; L222-L263 HydrophobicContact CD1-CD2 4.36Å; L222-L263 PolarHBondContact N-O 2.91Å; L222-L263 PolarHBondContact O-N 3.25Å; L222-Y276 HydrophobicContact CD1-CD1 3.68Å; L222-Y276 HydrophobicContact CD1-CD2 4.02Å; L222-Y276 HydrophobicContact CD1-CE1 4.2Å; L222-Y276 HydrophobicContact CD1-CG 3.57Å; L222-I292 HydrophobicContact CD2-CG2 4.25Å
223Q97.3Very high96.5Very high80 Ų8056.1 Ų56.137%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-103.4134.7-179.5-59.8-174-21.600109.8S207 S208 I221 Q262S207-Q223 CarbonylContact C-O 3.56Å; S207-Q223 WeakPolarHBondContact CA-O 3.34Å; S207-Q223 WeakPolarHBondContact CB-O 3.25Å; S208-Q223 PolarHBondContact N-O 2.97Å; S208-Q223 PolarHBondContact OG-N 3.35Å; I221-Q223 HydrophobicContact CG2-CG 4.11Å; Q223-Q262 HydrophobicContact CG-CG 4.22Å
224C97.5Very high96.5Very high0 Ų053.2 Ų53.20%028%0.283CS..  trans-143.389.2174.1-174.20000108.3A226 I234 W236 N261 C278C224-A226 PolarHBondContact O-N 2.97Å; C224-I234 HydrophobicContact CB-CG2 4.45Å; C224-W236 HydrophobicContact CB-CH2 3.58Å; C224-W236 HydrophobicContact CB-CZ2 3.58Å; C224-N261 CarbonylContact C-O 3.34Å; C224-N261 PolarHBondContact N-O 2.65Å; C224-N261 WeakPolarHBondContact O-CA 3.36Å; C224-N261 WeakPolarHBondContact O-CB 3.49Å; C224-N261 PolarHBondContact O-OD1 3.03Å; C224-C278 HydrophobicContact CB-CB 3.46Å; C224-C278 VanDerWaalsContact CB-CB 3.46Å; C224-C278 WeakPolarHBondContact CB-SG 3.35Å; C224-C278 WeakPolarHBondContact SG-CB 3.34Å; C224-C278 CovalentContact SG-SG 2.03Å; C224-C278 PolarHBondContact SG-SG 3.31Å
225K96.2Very high96.5Very high115 Ų11553.5 Ų53.550%0.529%0.285SS..  trans-89109.6-177.5-167.5175.8-174179.30109.1S203 S206 S207S203-K225 PolarHBondContact N-O 2.03Å; S206-K225 WeakPolarHBondContact OG-CB 3.3Å; S206-K225 WeakPolarHBondContact OG-CD 3.33Å; S207-K225 PolarHBondContact OG-N 2.85Å; S207-K225 VanDerWaalsContact OG-N 3.1Å
226A96.1Very high96.6Very high3 Ų350.3 Ų50.33%0.02527%0.27CS..EExtended strand (participates in β ladder)trans-105.6155.4171.200000111V201 I202 C224 P232 I234 A280V201-A226 CarbonylContact O-C 3.47Å; V201-A226 VanDerWaalsContact O-CA 3.27Å; V201-A226 WeakPolarHBondContact O-CA 3.35Å; I202-A226 HydrophobicContact CG1-CB 3.96Å; C224-A226 PolarHBondContact O-N 2.97Å; A226-P232 HydrophobicContact CB-CB 4.15Å; A226-P232 HydrophobicContact CB-CG 4.23Å; A226-I234 HydrophobicContact CB-CD1 3.63Å; A226-A280 HydrophobicContact CB-CB 3.5Å
227W95.3Very high96.7Very high104 Ų10449.4 Ų49.439%0.39426%0.264SS..EExtended strand (participates in β ladder)trans-133.8147.1173.817673.6000109.6V198 P200 V201 V229V198-W227 HydrophobicContact CB-CH2 3.9Å; V198-W227 HydrophobicContact CB-CZ3 4.33Å; V198-W227 HydrophobicContact CG1-CH2 3.61Å; V198-W227 HydrophobicContact CG1-CZ3 3.56Å; V198-W227 HydrophobicContact CG2-CH2 4.01Å; P200-W227 CarbonylContact C-O 3.52Å; P200-W227 WeakPolarHBondContact CA-O 3.19Å; V201-W227 PolarHBondContact N-O 2.69Å; V201-W227 PolarHBondContact O-N 3.39Å; W227-V229 HydrophobicContact CH2-CG2 4.2Å; W227-V229 HydrophobicContact CZ2-CG2 3.66Å
228G95.9Very high96.7Very high2 Ų247.2 Ų47.22%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-178.9176.2-179.600000111P230 P232G228-P230 CarbonylContact C-O 3.59Å; G228-P230 CarbonylContact O-C 3.59Å; G228-P232 VanDerWaalsContact N-CD 3.34Å
229V95.9Very high96.7Very high40 Ų4045 Ų4524%0.24223%0.234CC..EExtended strand (participates in β ladder)trans-131.7110.4175.4-176.70000108.8L197 V198 W227 N282L197-V229 CarbonylContact C-O 3.58Å; L197-V229 VanDerWaalsContact CA-O 3.31Å; L197-V229 WeakPolarHBondContact CA-O 3.07Å; L197-V229 WeakPolarHBondContact CB-O 3.01Å; V198-V229 HydrophobicContact CB-CB 4.03Å; V198-V229 HydrophobicContact CB-CG2 4.13Å; V198-V229 HydrophobicContact CG2-CB 4.09Å; V198-V229 HydrophobicContact CG2-CG2 4Å; V198-V229 PolarHBondContact N-O 3.48Å; V198-V229 PolarHBondContact O-N 2.77Å; W227-V229 HydrophobicContact CH2-CG2 4.2Å; W227-V229 HydrophobicContact CZ2-CG2 3.66Å; V229-N282 PolarHBondContact O-ND2 2.78Å
230P95.9Very high96.4Very high68 Ų6842.7 Ų42.744%0.44221%0.213SC..SBendcis-63.5167.2-0.7-20.234.7000113.9G228 N282G228-P230 CarbonylContact C-O 3.59Å; G228-P230 CarbonylContact O-C 3.59Å; P230-N282 WeakPolarHBondContact O-CB 3.18Å; P230-N282 PolarHBondContact O-ND2 3.14Å
231E95.8Very high95.8Very high115 Ų11546 Ų4654%0.53723%0.226SC..PPolyproline II helixtrans-56.7126.9178.4-173.568.4-175.700110.5
232P96.8Very high95Very high8 Ų845.6 Ų45.65%0.05222%0.223CC..PPolyproline II helixtrans-70143.1-177.3-2033000113.6P200 A226 G228 A280 Q281 N282P200-P232 HydrophobicContact CB-CB 3.9Å; P200-P232 HydrophobicContact CB-CG 3.64Å; A226-P232 HydrophobicContact CB-CB 4.15Å; A226-P232 HydrophobicContact CB-CG 4.23Å; G228-P232 VanDerWaalsContact N-CD 3.34Å; P232-A280 HydrophobicContact CB-CB 4.21Å; P232-Q281 CarbonylContact C-O 3.55Å; P232-Q281 WeakPolarHBondContact CA-O 3.44Å; P232-N282 HydrophobicContact CB-CB 4.41Å; P232-N282 HydrophobicContact CG-CB 4.4Å
233I96.2Very high94.4Very high113 Ų11348.3 Ų48.358%0.57925%0.251SS*.EExtended strand (participates in β ladder)trans-93.8128169.8-59.5170.2000108.2Q281I233-Q281 PolarHBondContact N-O 3.42Å; I233-Q281 PolarHBondContact O-N 3.08Å; I233-Q281 VanDerWaalsContact O-N 3.14Å
234I97.2Very high94.2Very high20 Ų2055.3 Ų55.310%0.10327%0.274CS..EExtended strand (participates in β ladder)trans-89128.9176.5-55.4-55.7000110.4C224 A226 W236 N261 C278 L279 A280C224-I234 HydrophobicContact CB-CG2 4.45Å; A226-I234 HydrophobicContact CB-CD1 3.63Å; I234-W236 HydrophobicContact CG2-CZ2 4.38Å; I234-N261 WeakPolarHBondContact CG1-OD1 3.23Å; I234-C278 HydrophobicContact CG2-CB 3.88Å; I234-L279 CarbonylContact C-O 3.58Å; I234-L279 WeakPolarHBondContact CA-O 3.3Å; I234-A280 HydrophobicContact CD1-CB 3.52Å
235T96.7Very high94.1Very high10 Ų1059.5 Ų59.56%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-117.7129.5171.7-56.90000109.8Y237 R247 L279T235-Y237 HydrophobicContact CG2-CD2 4.4Å; T235-Y237 HydrophobicContact CG2-CE2 3.64Å; T235-R247 HydrophobicContact CG2-CG 3.96Å; T235-R247 VanDerWaalsContact CG2-NE 3.31Å; T235-L279 PolarHBondContact N-O 3.26Å; T235-L279 PolarHBondContact O-N 2.81Å
236W97.7Very high94Very high3 Ų358.3 Ų58.31%0.01129%0.286CS..EExtended strand (participates in β ladder)trans-99.2140.4-178.1-67.393.7000112.1L222 C224 I234 I248 L263 C278 I292L222-W236 HydrophobicContact CB-CH2 3.66Å; L222-W236 HydrophobicContact CB-CZ2 4.46Å; L222-W236 HydrophobicContact CB-CZ3 3.88Å; L222-W236 HydrophobicContact CD1-CZ3 4.26Å; L222-W236 WeakPolarHBondContact O-CZ2 3.12Å; C224-W236 HydrophobicContact CB-CH2 3.58Å; C224-W236 HydrophobicContact CB-CZ2 3.58Å; I234-W236 HydrophobicContact CG2-CZ2 4.38Å; W236-I248 HydrophobicContact CB-CB 4.26Å; W236-I248 HydrophobicContact CB-CD1 4.04Å; W236-I248 PolarHBondContact O-N 2.94Å; W236-L263 HydrophobicContact CB-CD2 4.26Å; W236-L263 HydrophobicContact CD2-CB 3.67Å; W236-L263 HydrophobicContact CD2-CD2 4.07Å; W236-L263 HydrophobicContact CD2-CG 4.46Å; W236-L263 HydrophobicContact CE3-CB 4.15Å; W236-L263 HydrophobicContact CE3-CD2 4.05Å; W236-L263 HydrophobicContact CG-CB 3.99Å; W236-L263 HydrophobicContact CG-CD2 4.17Å; W236-L263 HydrophobicContact CH2-CB 4.37Å; W236-L263 HydrophobicContact CZ2-CB 3.92Å; W236-L263 HydrophobicContact CZ3-CB 4.46Å; W236-C278 HydrophobicContact CD2-CB 3.97Å; W236-C278 HydrophobicContact CE3-CB 3.73Å; W236-C278 HydrophobicContact CH2-CB 3.83Å; W236-C278 HydrophobicContact CZ2-CB 4.05Å; W236-C278 HydrophobicContact CZ3-CB 3.67Å; W236-I292 HydrophobicContact CH2-CD1 4.23Å; W236-I292 HydrophobicContact CZ3-CD1 4.08Å
237Y97.5Very high94Very high47 Ų4763.2 Ų63.218%0.18430%0.304CS..EExtended strand (participates in β ladder)trans-128.4145.3174.6-62.9-97.5000109.4T235 Q245 Y246 R247 Y276 K277 L279T235-Y237 HydrophobicContact CG2-CD2 4.4Å; T235-Y237 HydrophobicContact CG2-CE2 3.64Å; Y237-Q245 HydrophobicContact CD1-CG 4.28Å; Y237-Q245 HydrophobicContact CG-CG 4.49Å; Y237-Y246 CarbonylContact C-O 3.5Å; Y237-Y246 VanDerWaalsContact CA-O 3.25Å; Y237-Y246 WeakPolarHBondContact CA-O 3.33Å; Y237-R247 HydrophobicContact CD1-CB 3.92Å; Y237-R247 HydrophobicContact CE1-CB 3.72Å; Y237-R247 HydrophobicContact CE1-CG 4.29Å; Y237-Y276 CarbonylContact O-C 3.53Å; Y237-Y276 VanDerWaalsContact O-CA 3.29Å; Y237-Y276 WeakPolarHBondContact O-CA 3.27Å; Y237-K277 PolarHBondContact N-O 2.81Å; Y237-K277 PolarHBondContact O-N 2.86Å; Y237-L279 HydrophobicContact CD2-CB 4.42Å; Y237-L279 HydrophobicContact CE2-CB 3.96Å; Y237-L279 HydrophobicContact CE2-CD2 4.01Å
238L96.4Very high94Very high0 Ų058.4 Ų58.40%029%0.286CS..EExtended strand (participates in β ladder)trans-119.3129.9171.3172.355.6000108.8P240 Q245 Y246 I248 L272 Y276L238-P240 HydrophobicContact CG-CG 4.22Å; L238-Q245 CarbonylContact O-C 3.53Å; L238-Q245 VanDerWaalsContact O-CA 3.28Å; L238-Q245 WeakPolarHBondContact O-CA 3.27Å; L238-Y246 HydrophobicContact CB-CE1 4.27Å; L238-Y246 HydrophobicContact CD2-CE1 4.28Å; L238-Y246 WeakPolarHBondContact CD2-OH 3.37Å; L238-Y246 HydrophobicContact CG-CE1 4.22Å; L238-Y246 PolarHBondContact N-O 3.48Å; L238-Y246 PolarHBondContact O-N 2.95Å; L238-I248 HydrophobicContact CB-CD1 3.97Å; L238-I248 HydrophobicContact CB-CG1 4.11Å; L238-L272 HydrophobicContact CD2-CD2 4.22Å; L238-Y276 HydrophobicContact CB-CD1 4.41Å; L238-Y276 HydrophobicContact CB-CE1 4.23Å; L238-Y276 HydrophobicContact CD1-CD1 4.34Å; L238-Y276 HydrophobicContact CD1-CD2 3.84Å; L238-Y276 HydrophobicContact CD1-CE1 4.06Å; L238-Y276 HydrophobicContact CD1-CE2 3.48Å; L238-Y276 VanDerWaalsContact CD1-CE2 3.48Å; L238-Y276 HydrophobicContact CD1-CG 4.24Å; L238-Y276 HydrophobicContact CD2-CE1 4.22Å; L238-Y276 HydrophobicContact CG-CE1 4.41Å
239T95.7Very high93.8Very high44 Ų4463.4 Ų63.427%0.2731%0.305SS..EExtended strand (participates in β ladder)trans-105.4101.1162-52.40000107.4Q245 G274 T275T239-Q245 VanDerWaalsContact OG1-CB 3.3Å; T239-Q245 WeakPolarHBondContact OG1-CB 3.4Å; T239-Q245 WeakPolarHBondContact OG1-CG 3.11Å; T239-G274 CarbonylContact O-C 3.53Å; T239-G274 WeakPolarHBondContact O-CA 3.35Å; T239-T275 PolarHBondContact N-O 3.3Å; T239-T275 PolarHBondContact O-N 2.94Å
240P92Very high93.4Very high24 Ų2466.5 Ų66.516%0.15632%0.317CS..EExtended strand (participates in β ladder)trans-59.1160.2173.7-20.833000111.1L238 E242 Y246L238-P240 HydrophobicContact CG-CG 4.22Å; P240-E242 PolarHBondContact O-N 3.23Å; P240-Y246 HydrophobicContact CG-CD1 4.37Å; P240-Y246 HydrophobicContact CG-CE1 3.72Å
241K85.5Confident92.8Very high79 Ų7968.2 Ų68.234%0.34334%0.337SS..SBendtrans-52.1-44172.1-84.2179.7165.1172.60112.1Q273K241-Q273 HydrophobicContact CD-CG 3.91Å; K241-Q273 HydrophobicContact CG-CG 4.24Å; K241-Q273 PolarHBondContact N-O 3.39Å
242E79.8Confident92.3Very high82 Ų8267 Ų6738%0.38334%0.337SS..SBendtrans-117.6106175.4-65.5-177.1176.700108.2P240 H367P240-E242 PolarHBondContact O-N 3.23Å; E242-H367 WeakPolarHBondContact OE1-CB 3.37Å; E242-H367 IonicContact OE1-CD2 3.92Å; E242-H367 IonicContact OE1-CE1 3.75Å; E242-H367 PolarHBondContact OE1-CE1 3.41Å; E242-H367 IonicContact OE1-CG 2.7Å; E242-H367 IonicContact OE1-ND1 3.31Å; E242-H367 PolarHBondContact OE1-ND1 3.46Å
243G85.3Confident91.9Very high57 Ų5768.1 Ų68.159%0.58834%0.343SS*.SBendtrans149.4-171.7177.200000113.8
244R92.6Very high91.7Very high227 Ų22772.3 Ų72.386%0.85736%0.357SS*.  trans-104.6149.9176-65.6-177.8179.5175.40.6109.5Y246R244-Y246 PolarHBondContact O-N 2.82Å
245Q94.7Very high91.6Very high88 Ų8874.2 Ų74.241%0.41136%0.363SS..  trans-58.7128.6173-172.3-168.2-101.600110.2Y237 L238 T239Y237-Q245 HydrophobicContact CD1-CG 4.28Å; Y237-Q245 HydrophobicContact CG-CG 4.49Å; L238-Q245 CarbonylContact O-C 3.53Å; L238-Q245 VanDerWaalsContact O-CA 3.28Å; L238-Q245 WeakPolarHBondContact O-CA 3.27Å; T239-Q245 VanDerWaalsContact OG1-CB 3.3Å; T239-Q245 WeakPolarHBondContact OG1-CB 3.4Å; T239-Q245 WeakPolarHBondContact OG1-CG 3.11Å
246Y95.2Very high91.5Very high90 Ų9073.8 Ų73.835%0.35336%0.36SS..EExtended strand (participates in β ladder)trans-126.4156.7171.765.2-87.4000110.9Y237 L238 P240 R244 I248Y237-Y246 CarbonylContact C-O 3.5Å; Y237-Y246 VanDerWaalsContact CA-O 3.25Å; Y237-Y246 WeakPolarHBondContact CA-O 3.33Å; L238-Y246 HydrophobicContact CB-CE1 4.27Å; L238-Y246 HydrophobicContact CD2-CE1 4.28Å; L238-Y246 WeakPolarHBondContact CD2-OH 3.37Å; L238-Y246 HydrophobicContact CG-CE1 4.22Å; L238-Y246 PolarHBondContact N-O 3.48Å; L238-Y246 PolarHBondContact O-N 2.95Å; P240-Y246 HydrophobicContact CG-CD1 4.37Å; P240-Y246 HydrophobicContact CG-CE1 3.72Å; R244-Y246 PolarHBondContact O-N 2.82Å; Y246-I248 HydrophobicContact CE2-CG1 4.48Å
247R96.2Very high91.5Very high107 Ų10775.7 Ų75.740%0.40437%0.372SS..EExtended strand (participates in β ladder)trans-79.6132.3174.3176.6167.3164.9-176.78.5109T235 Y237 Y249T235-R247 HydrophobicContact CG2-CG 3.96Å; T235-R247 VanDerWaalsContact CG2-NE 3.31Å; Y237-R247 HydrophobicContact CD1-CB 3.92Å; Y237-R247 HydrophobicContact CE1-CB 3.72Å; Y237-R247 HydrophobicContact CE1-CG 4.29Å; R247-Y249 HydrophobicContact CB-CE2 3.87Å; R247-Y249 VanDerWaalsContact CD-CZ 3.46Å; R247-Y249 VanDerWaalsContact CD-OH 3.27Å; R247-Y249 WeakPolarHBondContact CD-OH 3.39Å; R247-Y249 HydrophobicContact CG-CD2 4.35Å; R247-Y249 HydrophobicContact CG-CE1 4.08Å; R247-Y249 HydrophobicContact CG-CE2 3.82Å; R247-Y249 VanDerWaalsContact NE-CE1 3.27Å; R247-Y249 WeakPolarHBondContact O-CD2 3.11Å
248I95.5Very high91.4Very high2 Ų276.6 Ų76.61%0.0138%0.379CS..  trans-77.6130177-63.1170.3000109W236 L238 Y246 F256 I258 L263 Y276W236-I248 HydrophobicContact CB-CB 4.26Å; W236-I248 HydrophobicContact CB-CD1 4.04Å; W236-I248 PolarHBondContact O-N 2.94Å; L238-I248 HydrophobicContact CB-CD1 3.97Å; L238-I248 HydrophobicContact CB-CG1 4.11Å; Y246-I248 HydrophobicContact CE2-CG1 4.48Å; I248-F256 HydrophobicContact CD1-CE1 4.27Å; I248-F256 HydrophobicContact CD1-CZ 4.31Å; I248-F256 HydrophobicContact CG1-CE2 4.49Å; I248-F256 HydrophobicContact CG1-CZ 4.45Å; I248-F256 HydrophobicContact CG2-CB 3.91Å; I248-F256 HydrophobicContact CG2-CD1 4.02Å; I248-F256 HydrophobicContact CG2-CD2 3.49Å; I248-F256 VanDerWaalsContact CG2-CD2 3.49Å; I248-F256 HydrophobicContact CG2-CE1 4.41Å; I248-F256 HydrophobicContact CG2-CE2 3.94Å; I248-F256 HydrophobicContact CG2-CG 3.54Å; I248-F256 HydrophobicContact CG2-CZ 4.36Å; I248-I258 HydrophobicContact CG2-CD1 4.42Å; I248-L263 HydrophobicContact CD1-CD2 3.56Å; I248-L263 HydrophobicContact CG2-CD1 4.16Å; I248-Y276 HydrophobicContact CD1-CD1 3.85Å; I248-Y276 HydrophobicContact CD1-CE1 3.72Å
249Y91.7Very high91.2Very high108 Ų10881.7 Ų81.742%0.42440%0.402SS..  trans-127.5140.8169.5-59.4-81.6000109.1R247 A251 T252R247-Y249 HydrophobicContact CB-CE2 3.87Å; R247-Y249 VanDerWaalsContact CD-CZ 3.46Å; R247-Y249 VanDerWaalsContact CD-OH 3.27Å; R247-Y249 WeakPolarHBondContact CD-OH 3.39Å; R247-Y249 HydrophobicContact CG-CD2 4.35Å; R247-Y249 HydrophobicContact CG-CE1 4.08Å; R247-Y249 HydrophobicContact CG-CE2 3.82Å; R247-Y249 VanDerWaalsContact NE-CE1 3.27Å; R247-Y249 WeakPolarHBondContact O-CD2 3.11Å; Y249-A251 PolarHBondContact O-N 3.06Å; Y249-T252 HydrophobicContact CD2-CG2 4.18Å; Y249-T252 PolarHBondContact N-OG1 3.34Å; Y249-T252 PolarHBondContact O-N 2.77Å; Y249-T252 PolarHBondContact O-OG1 3.05Å
250E86.8Confident91Very high105 Ų10585 Ų8549%0.49142%0.424SS..THydrogen-bonded Turntrans-59.3-30.2175.2-179.4164.3-13300112.1T252 D253 F256E250-T252 VanDerWaalsContact C-N 3.35Å; E250-T252 PolarHBondContact O-N 2.82Å; E250-D253 CarbonylContact O-C 3.59Å; E250-F256 WeakPolarHBondContact CG-O 3.49Å
251A84.6Confident91.1Very high104 Ų10485.6 Ų85.686%0.8643%0.426SS*.THydrogen-bonded Turntrans-70.6-25.5175.700000114.2Y249Y249-A251 PolarHBondContact O-N 3.06Å
252T84.4Confident91.6Very high89 Ų8984.6 Ų84.655%0.54642%0.422SS..THydrogen-bonded Turntrans-77.4-31.7-178.148.90000112.5Y249 E250Y249-T252 HydrophobicContact CD2-CG2 4.18Å; Y249-T252 PolarHBondContact N-OG1 3.34Å; Y249-T252 PolarHBondContact O-N 2.77Å; Y249-T252 PolarHBondContact O-OG1 3.05Å; E250-T252 VanDerWaalsContact C-N 3.35Å; E250-T252 PolarHBondContact O-N 2.82Å
253D89.3Confident92.4Very high31 Ų3180.7 Ų80.717%0.16640%0.404CS..  trans-154.7118.8-177.4179.2-9.6000109.2E250 R255 F256E250-D253 CarbonylContact O-C 3.59Å; D253-R255 VanDerWaalsContact CG-NE 3.33Å; D253-R255 PolarHBondContact O-N 3.47Å; D253-R255 VanDerWaalsContact O-N 3.07Å; D253-R255 VanDerWaalsContact OD1-CB 3.26Å; D253-R255 WeakPolarHBondContact OD1-CB 3.31Å; D253-R255 VanDerWaalsContact OD1-CG 3.31Å; D253-R255 WeakPolarHBondContact OD1-CG 3.22Å; D253-R255 IonicContact OD1-CZ 3.4Å; D253-R255 PolarHBondContact OD1-N 3.09Å; D253-R255 IonicContact OD1-NE 3.22Å; D253-R255 PolarHBondContact OD1-NE 2.81Å; D253-R255 IonicContact OD2-CZ 3.77Å; D253-R255 IonicContact OD2-NE 3.73Å; D253-R255 PolarHBondContact OD2-NE 3.45Å; D253-R255 IonicContact OD2-NH2 3.66Å; D253-R255 PolarHBondContact OD2-NH2 3.06Å; D253-F256 HydrophobicContact CB-CD2 3.67Å; D253-F256 HydrophobicContact CB-CE2 3.83Å; D253-F256 PolarHBondContact O-N 3.36Å
254K91.5Very high93Very high202 Ų20279.1 Ų79.188%0.87838%0.382SS*.THydrogen-bonded Turntrans-63.3-13.5-176.7-61.7-179.3-178.7178.80113.2F256K254-F256 VanDerWaalsContact C-N 3.27Å
255R94Very high93.2Very high59 Ų5968.3 Ų68.322%0.22334%0.341CS..THydrogen-bonded Turntrans-71.8-22.6175.2-63.9174.8-70.1-174.15.6112.1D253 I265 S266 N267 T269 D271D253-R255 VanDerWaalsContact CG-NE 3.33Å; D253-R255 PolarHBondContact O-N 3.47Å; D253-R255 VanDerWaalsContact O-N 3.07Å; D253-R255 VanDerWaalsContact OD1-CB 3.26Å; D253-R255 WeakPolarHBondContact OD1-CB 3.31Å; D253-R255 VanDerWaalsContact OD1-CG 3.31Å; D253-R255 WeakPolarHBondContact OD1-CG 3.22Å; D253-R255 IonicContact OD1-CZ 3.4Å; D253-R255 PolarHBondContact OD1-N 3.09Å; D253-R255 IonicContact OD1-NE 3.22Å; D253-R255 PolarHBondContact OD1-NE 2.81Å; D253-R255 IonicContact OD2-CZ 3.77Å; D253-R255 IonicContact OD2-NE 3.73Å; D253-R255 PolarHBondContact OD2-NE 3.45Å; D253-R255 IonicContact OD2-NH2 3.66Å; D253-R255 PolarHBondContact OD2-NH2 3.06Å; R255-I265 CarbonylContact O-C 3.59Å; R255-I265 VanDerWaalsContact O-CA 3.31Å; R255-I265 WeakPolarHBondContact O-CA 3.45Å; R255-S266 PolarHBondContact O-N 3.05Å; R255-N267 WeakPolarHBondContact CD-O 3.37Å; R255-T269 PolarHBondContact NH1-OG1 2.8Å; R255-D271 IonicContact CZ-OD2 2.77Å; R255-D271 IonicContact NH1-OD1 2.82Å; R255-D271 PolarHBondContact NH1-OD1 3.08Å; R255-D271 IonicContact NH1-OD2 2.68Å; R255-D271 PolarHBondContact NH1-OD2 3.02Å; R255-D271 IonicContact NH2-OD2 3.76Å; R255-D271 PolarHBondContact NH2-OD2 2.99Å
256F96.2Very high93.2Very high1 Ų167.3 Ų67.30%0.00434%0.344CS..EExtended strand (participates in β ladder)trans-91.9127.8179.5-62.1-56.5000111.8I248 E250 D253 K254 L263 I264 I265 L272 Y276I248-F256 HydrophobicContact CD1-CE1 4.27Å; I248-F256 HydrophobicContact CD1-CZ 4.31Å; I248-F256 HydrophobicContact CG1-CE2 4.49Å; I248-F256 HydrophobicContact CG1-CZ 4.45Å; I248-F256 HydrophobicContact CG2-CB 3.91Å; I248-F256 HydrophobicContact CG2-CD1 4.02Å; I248-F256 HydrophobicContact CG2-CD2 3.49Å; I248-F256 VanDerWaalsContact CG2-CD2 3.49Å; I248-F256 HydrophobicContact CG2-CE1 4.41Å; I248-F256 HydrophobicContact CG2-CE2 3.94Å; I248-F256 HydrophobicContact CG2-CG 3.54Å; I248-F256 HydrophobicContact CG2-CZ 4.36Å; E250-F256 WeakPolarHBondContact CG-O 3.49Å; D253-F256 HydrophobicContact CB-CD2 3.67Å; D253-F256 HydrophobicContact CB-CE2 3.83Å; D253-F256 PolarHBondContact O-N 3.36Å; K254-F256 VanDerWaalsContact C-N 3.27Å; F256-L263 HydrophobicContact CB-CD1 4.2Å; F256-L263 HydrophobicContact CD1-CD1 3.91Å; F256-L263 HydrophobicContact CD1-CD2 4.44Å; F256-L263 HydrophobicContact CD1-CG 4.43Å; F256-L263 HydrophobicContact CG-CD1 4.37Å; F256-I264 WeakPolarHBondContact CA-O 3.13Å; F256-I265 HydrophobicContact CD1-CG1 3.94Å; F256-I265 HydrophobicContact CE1-CD1 4.12Å; F256-I265 HydrophobicContact CE1-CG1 3.95Å; F256-I265 HydrophobicContact CE1-CG2 4.5Å; F256-L272 HydrophobicContact CE1-CD1 4.45Å; F256-L272 HydrophobicContact CE1-CD2 4.39Å; F256-L272 HydrophobicContact CE2-CD2 4.35Å; F256-L272 HydrophobicContact CZ-CD1 4.42Å; F256-L272 HydrophobicContact CZ-CD2 3.65Å; F256-Y276 HydrophobicContact CE1-CE1 4.38Å
257V95.8Very high93.2Very high44 Ų4466.7 Ų66.727%0.26735%0.347SS..EExtended strand (participates in β ladder)trans-121.1117.4167.8178.30000108K259 I264V257-K259 HydrophobicContact CG1-CG 4.36Å; V257-I264 HydrophobicContact CB-CB 4.23Å; V257-I264 PolarHBondContact N-O 2.99Å; V257-I264 PolarHBondContact O-N 2.8Å
258I95.3Very high93.2Very high65 Ų6561.6 Ų61.633%0.33333%0.327SS..EExtended strand (participates in β ladder)trans-94.8112.6-177.8-57.9173.9000108.5I248 L263I248-I258 HydrophobicContact CG2-CD1 4.42Å; I258-L263 HydrophobicContact CG1-CD1 4.06Å
259K94.1Very high93.1Very high108 Ų10862.7 Ų62.747%0.4733%0.334SS..EExtended strand (participates in β ladder)trans-108165.5172.8-70.6-167.7-175.6175.70110.1V257 N261 Q262 I264V257-K259 HydrophobicContact CG1-CG 4.36Å; K259-N261 PolarHBondContact O-N 3.25Å; K259-N261 VanDerWaalsContact O-N 3.16Å; K259-Q262 HydrophobicContact CB-CB 4.17Å; K259-Q262 PolarHBondContact N-O 3.32Å; K259-Q262 PolarHBondContact O-N 2.94Å; K259-Q262 VanDerWaalsContact O-N 3.07Å; K259-I264 HydrophobicContact CD-CD1 3.69Å; K259-I264 HydrophobicContact CG-CD1 4.24Å
260P91.3Very high93.1Very high114 Ų11460.2 Ų60.274%0.7432%0.324SS*.THydrogen-bonded Turntrans-53.1125.5172.6-25.434.7000110.6Q262P260-Q262 PolarHBondContact O-N 3.19Å
261N93.6Very high93.2Very high36 Ų3658.7 Ų58.719%0.19332%0.319CS..THydrogen-bonded Turntrans59.210.7-179.4-58.2-48.9000116C224 I234 K259C224-N261 CarbonylContact C-O 3.34Å; C224-N261 PolarHBondContact N-O 2.65Å; C224-N261 WeakPolarHBondContact O-CA 3.36Å; C224-N261 WeakPolarHBondContact O-CB 3.49Å; C224-N261 PolarHBondContact O-OD1 3.03Å; I234-N261 WeakPolarHBondContact CG1-OD1 3.23Å; K259-N261 PolarHBondContact O-N 3.25Å; K259-N261 VanDerWaalsContact O-N 3.16Å
262Q95.9Very high93.6Very high57 Ų5753.8 Ų53.827%0.26628%0.278SS..EExtended strand (participates in β ladder)trans-141.6139.2-174-61.6-176.4-13.100112.1L222 Q223 K259 P260L222-Q262 CarbonylContact O-C 3.59Å; L222-Q262 VanDerWaalsContact O-CA 3.3Å; L222-Q262 WeakPolarHBondContact O-CA 3.26Å; Q223-Q262 HydrophobicContact CG-CG 4.22Å; K259-Q262 HydrophobicContact CB-CB 4.17Å; K259-Q262 PolarHBondContact N-O 3.32Å; K259-Q262 PolarHBondContact O-N 2.94Å; K259-Q262 VanDerWaalsContact O-N 3.07Å; P260-Q262 PolarHBondContact O-N 3.19Å
263L97.4Very high94Very high0 Ų050.1 Ų50.10%026%0.255CS..EExtended strand (participates in β ladder)trans-112.1116.9165.3175.467.4000108.2L222 W236 I248 F256 I258 I265 Y276L222-L263 HydrophobicContact CB-CB 4.34Å; L222-L263 HydrophobicContact CD1-CD2 4.36Å; L222-L263 PolarHBondContact N-O 2.91Å; L222-L263 PolarHBondContact O-N 3.25Å; W236-L263 HydrophobicContact CB-CD2 4.26Å; W236-L263 HydrophobicContact CD2-CB 3.67Å; W236-L263 HydrophobicContact CD2-CD2 4.07Å; W236-L263 HydrophobicContact CD2-CG 4.46Å; W236-L263 HydrophobicContact CE3-CB 4.15Å; W236-L263 HydrophobicContact CE3-CD2 4.05Å; W236-L263 HydrophobicContact CG-CB 3.99Å; W236-L263 HydrophobicContact CG-CD2 4.17Å; W236-L263 HydrophobicContact CH2-CB 4.37Å; W236-L263 HydrophobicContact CZ2-CB 3.92Å; W236-L263 HydrophobicContact CZ3-CB 4.46Å; I248-L263 HydrophobicContact CD1-CD2 3.56Å; I248-L263 HydrophobicContact CG2-CD1 4.16Å; F256-L263 HydrophobicContact CB-CD1 4.2Å; F256-L263 HydrophobicContact CD1-CD1 3.91Å; F256-L263 HydrophobicContact CD1-CD2 4.44Å; F256-L263 HydrophobicContact CD1-CG 4.43Å; F256-L263 HydrophobicContact CG-CD1 4.37Å; I258-L263 HydrophobicContact CG1-CD1 4.06Å; L263-I265 HydrophobicContact CG-CG1 4.35Å; L263-Y276 HydrophobicContact CD2-CD1 3.76Å; L263-Y276 HydrophobicContact CD2-CE1 3.79Å
264I96.7Very high94.3Very high25 Ų2549.1 Ų49.113%0.12825%0.252CS..EExtended strand (participates in β ladder)trans-100.5128.2175.6-56.7176.7000107.7V220 I221 F256 V257 K259V220-I264 WeakPolarHBondContact O-CA 3.47Å; I221-I264 HydrophobicContact CG1-CG1 4.21Å; I221-I264 HydrophobicContact CG1-CG2 4.4Å; I221-I264 HydrophobicContact CG2-CG1 4.28Å; F256-I264 WeakPolarHBondContact CA-O 3.13Å; V257-I264 HydrophobicContact CB-CB 4.23Å; V257-I264 PolarHBondContact N-O 2.99Å; V257-I264 PolarHBondContact O-N 2.8Å; K259-I264 HydrophobicContact CD-CD1 3.69Å; K259-I264 HydrophobicContact CG-CD1 4.24Å
265I97Very high94.5Very high0 Ų041.8 Ų41.80%023%0.225CC..EExtended strand (participates in β ladder)trans-111.6108.5174.5-50.3175.2000106.4A219 V220 R255 F256 L263 I268 L272 Y276 L294A219-I265 CarbonylContact C-O 3.49Å; A219-I265 VanDerWaalsContact CA-O 3.23Å; A219-I265 WeakPolarHBondContact CA-O 3.49Å; V220-I265 HydrophobicContact CB-CB 4.33Å; V220-I265 PolarHBondContact N-O 2.73Å; V220-I265 PolarHBondContact O-N 3.43Å; R255-I265 CarbonylContact O-C 3.59Å; R255-I265 VanDerWaalsContact O-CA 3.31Å; R255-I265 WeakPolarHBondContact O-CA 3.45Å; F256-I265 HydrophobicContact CD1-CG1 3.94Å; F256-I265 HydrophobicContact CE1-CD1 4.12Å; F256-I265 HydrophobicContact CE1-CG1 3.95Å; F256-I265 HydrophobicContact CE1-CG2 4.5Å; L263-I265 HydrophobicContact CG-CG1 4.35Å; I265-I268 HydrophobicContact CD1-CD1 3.98Å; I265-I268 HydrophobicContact CG2-CB 4.49Å; I265-I268 HydrophobicContact CG2-CD1 3.91Å; I265-L272 HydrophobicContact CG2-CD1 3.73Å; I265-Y276 HydrophobicContact CD1-CE1 4.03Å; I265-L294 HydrophobicContact CD1-CD2 4.07Å
266S95.2Very high94.7Very high66 Ų6639 Ų3946%0.46221%0.214SC..SBendtrans-72-30.5-170.6-58.10000114.4R255R255-S266 PolarHBondContact O-N 3.05Å
267N95.1Very high94.7Very high78 Ų7841 Ų4142%0.41722%0.223SC..SBendtrans-145.3104.9177.2-179.1-22000107.7G217 R255G217-N267 WeakPolarHBondContact CA-OD1 3.31Å; R255-N267 WeakPolarHBondContact CD-O 3.37Å
268I95.8Very high94.8Very high0 Ų039 Ų390%021%0.21CC..  trans-79.1137-179.4-165.867.1000110.9A214 H215 E216 G217 E218 V220 I265 L272 L294 V296A214-I268 HydrophobicContact CB-CG2 4.22Å; H215-I268 WeakPolarHBondContact O-CG2 3.14Å; E216-I268 CarbonylContact C-O 3.54Å; E216-I268 WeakPolarHBondContact CA-O 3.42Å; G217-I268 PolarHBondContact N-O 2.76Å; E218-I268 HydrophobicContact CB-CG2 4.28Å; E218-I268 VanDerWaalsContact O-CG2 3.29Å; E218-I268 WeakPolarHBondContact O-CG2 3.45Å; E218-I268 PolarHBondContact O-N 2.97Å; V220-I268 HydrophobicContact CG2-CB 4.07Å; V220-I268 HydrophobicContact CG2-CG1 4.31Å; V220-I268 HydrophobicContact CG2-CG2 4.21Å; I265-I268 HydrophobicContact CD1-CD1 3.98Å; I265-I268 HydrophobicContact CG2-CB 4.49Å; I265-I268 HydrophobicContact CG2-CD1 3.91Å; I268-L272 HydrophobicContact CD1-CB 3.59Å; I268-L272 HydrophobicContact CD1-CD1 4.01Å; I268-L272 HydrophobicContact CD1-CG 4.46Å; I268-L294 HydrophobicContact CD1-CD2 3.56Å; I268-L294 HydrophobicContact CG1-CD2 4.36Å; I268-V296 HydrophobicContact CD1-CG2 4.08Å; I268-V296 HydrophobicContact CG1-CG1 4.14Å; I268-V296 HydrophobicContact CG1-CG2 3.61Å
269T93.5Very high94.9Very high24 Ų2436.7 Ų36.715%0.14720%0.199CC..  trans-133.1163-17952.50000109.9R255 D271 L272R255-T269 PolarHBondContact NH1-OG1 2.8Å; T269-D271 WeakPolarHBondContact CB-OD1 3.43Å; T269-D271 PolarHBondContact O-N 3.28Å; T269-D271 PolarHBondContact OG1-OD1 2.85Å; T269-L272 WeakPolarHBondContact O-CB 3.48Å; T269-L272 PolarHBondContact O-N 2.87Å
270R90.7Very high95.1Very high56 Ų5631.6 Ų31.621%0.21118%0.176CC..G310 helixtrans-58.3-28.4-178.267.7-170.867.7-170.1-4.3115.2E216 L272 Q273 Y298E216-R270 IonicContact OE1-CZ 2.97Å; E216-R270 PolarHBondContact OE1-N 3.31Å; E216-R270 VanDerWaalsContact OE1-N 3.09Å; E216-R270 IonicContact OE1-NE 2.76Å; E216-R270 PolarHBondContact OE1-NE 2.82Å; E216-R270 VanDerWaalsContact OE1-NE 3.15Å; E216-R270 IonicContact OE1-NH2 2.76Å; E216-R270 IonicContact OE2-CZ 3.15Å; E216-R270 IonicContact OE2-NE 3.78Å; E216-R270 IonicContact OE2-NH2 3.63Å; E216-R270 PolarHBondContact OE2-NH2 2.9Å; R270-L272 VanDerWaalsContact C-N 3.26Å; R270-L272 PolarHBondContact O-N 2.85Å; R270-Q273 VanDerWaalsContact O-CB 3.31Å; R270-Q273 WeakPolarHBondContact O-CB 3.38Å; R270-Q273 PolarHBondContact O-N 2.99Å; R270-Y298 HydrophobicContact CB-CD1 3.94Å; R270-Y298 HydrophobicContact CB-CE1 3.65Å
271D89.7Confident95.3Very high74 Ų7430.2 Ų30.240%0.39616%0.16SC..G310 helixtrans-69.4-22.517659.1-65.5000113.2R255 T269 Q273R255-D271 IonicContact CZ-OD2 2.77Å; R255-D271 IonicContact NH1-OD1 2.82Å; R255-D271 PolarHBondContact NH1-OD1 3.08Å; R255-D271 IonicContact NH1-OD2 2.68Å; R255-D271 PolarHBondContact NH1-OD2 3.02Å; R255-D271 IonicContact NH2-OD2 3.76Å; R255-D271 PolarHBondContact NH2-OD2 2.99Å; T269-D271 WeakPolarHBondContact CB-OD1 3.43Å; T269-D271 PolarHBondContact O-N 3.28Å; T269-D271 PolarHBondContact OG1-OD1 2.85Å; D271-Q273 VanDerWaalsContact C-N 3.27Å; D271-Q273 PolarHBondContact O-N 3.46Å
272L93.4Very high95.4Very high0 Ų029.4 Ų29.40%016%0.156CC..G310 helixtrans-86.82.3177.6-63.3-175.2000112.9L238 F256 I265 I268 T269 R270 Y276L238-L272 HydrophobicContact CD2-CD2 4.22Å; F256-L272 HydrophobicContact CE1-CD1 4.45Å; F256-L272 HydrophobicContact CE1-CD2 4.39Å; F256-L272 HydrophobicContact CE2-CD2 4.35Å; F256-L272 HydrophobicContact CZ-CD1 4.42Å; F256-L272 HydrophobicContact CZ-CD2 3.65Å; I265-L272 HydrophobicContact CG2-CD1 3.73Å; I268-L272 HydrophobicContact CD1-CB 3.59Å; I268-L272 HydrophobicContact CD1-CD1 4.01Å; I268-L272 HydrophobicContact CD1-CG 4.46Å; T269-L272 WeakPolarHBondContact O-CB 3.48Å; T269-L272 PolarHBondContact O-N 2.87Å; R270-L272 VanDerWaalsContact C-N 3.26Å; R270-L272 PolarHBondContact O-N 2.85Å; L272-Y276 WeakPolarHBondContact O-CE2 3.42Å; L272-Y276 PolarHBondContact O-OH 3.09Å
273Q92.9Very high95.2Very high12 Ų1230.5 Ų30.56%0.05618%0.182CC..  trans-70.8130.2174.2-177.7158.618.400111.2K241 R270 D271 L294 D295 V296 N326K241-Q273 HydrophobicContact CD-CG 3.91Å; K241-Q273 HydrophobicContact CG-CG 4.24Å; K241-Q273 PolarHBondContact N-O 3.39Å; R270-Q273 VanDerWaalsContact O-CB 3.31Å; R270-Q273 WeakPolarHBondContact O-CB 3.38Å; R270-Q273 PolarHBondContact O-N 2.99Å; D271-Q273 VanDerWaalsContact C-N 3.27Å; D271-Q273 PolarHBondContact O-N 3.46Å; Q273-L294 WeakPolarHBondContact CG-O 3.26Å; Q273-D295 PolarHBondContact NE2-OD1 3.27Å; Q273-V296 HydrophobicContact CB-CB 4.11Å; Q273-V296 HydrophobicContact CB-CG2 3.84Å; Q273-V296 HydrophobicContact CG-CG2 4.41Å; Q273-V296 PolarHBondContact OE1-O 2.7Å; Q273-N326 PolarHBondContact NE2-ND2 3.08Å; Q273-N326 PolarHBondContact OE1-ND2 3.35Å
274G94.4Very high95Very high10 Ų1032.1 Ų32.110%0.10319%0.191CC..EExtended strand (participates in β ladder)trans161.1-156.5177.900000113.2T239 L294T239-G274 CarbonylContact O-C 3.53Å; T239-G274 WeakPolarHBondContact O-CA 3.35Å; G274-L294 PolarHBondContact N-O 3.33Å; G274-L294 PolarHBondContact O-N 2.93Å
275T96.8Very high94.6Very high49 Ų4940.9 Ų40.930%0.30123%0.228SC..EExtended strand (participates in β ladder)trans-104.9113.6-176.4-56.80000109.7T239 V291T239-T275 PolarHBondContact N-O 3.3Å; T239-T275 PolarHBondContact O-N 2.94Å; T275-V291 HydrophobicContact CG2-CG1 3.19Å
276Y97.6Very high94.3Very high0 Ų046.1 Ų46.10%025%0.253CS..EExtended strand (participates in β ladder)trans-88.8135.7174.2-70.9-102.2000109.7L222 Y237 L238 I248 F256 L263 I265 L272 V291 I292 L294L222-Y276 HydrophobicContact CD1-CD1 3.68Å; L222-Y276 HydrophobicContact CD1-CD2 4.02Å; L222-Y276 HydrophobicContact CD1-CE1 4.2Å; L222-Y276 HydrophobicContact CD1-CG 3.57Å; Y237-Y276 CarbonylContact O-C 3.53Å; Y237-Y276 VanDerWaalsContact O-CA 3.29Å; Y237-Y276 WeakPolarHBondContact O-CA 3.27Å; L238-Y276 HydrophobicContact CB-CD1 4.41Å; L238-Y276 HydrophobicContact CB-CE1 4.23Å; L238-Y276 HydrophobicContact CD1-CD1 4.34Å; L238-Y276 HydrophobicContact CD1-CD2 3.84Å; L238-Y276 HydrophobicContact CD1-CE1 4.06Å; L238-Y276 HydrophobicContact CD1-CE2 3.48Å; L238-Y276 VanDerWaalsContact CD1-CE2 3.48Å; L238-Y276 HydrophobicContact CD1-CG 4.24Å; L238-Y276 HydrophobicContact CD2-CE1 4.22Å; L238-Y276 HydrophobicContact CG-CE1 4.41Å; I248-Y276 HydrophobicContact CD1-CD1 3.85Å; I248-Y276 HydrophobicContact CD1-CE1 3.72Å; F256-Y276 HydrophobicContact CE1-CE1 4.38Å; L263-Y276 HydrophobicContact CD2-CD1 3.76Å; L263-Y276 HydrophobicContact CD2-CE1 3.79Å; I265-Y276 HydrophobicContact CD1-CE1 4.03Å; L272-Y276 WeakPolarHBondContact O-CE2 3.42Å; L272-Y276 PolarHBondContact O-OH 3.09Å; Y276-V291 CarbonylContact O-C 3.59Å; Y276-V291 WeakPolarHBondContact O-CA 3.4Å; Y276-I292 PolarHBondContact N-O 2.68Å; Y276-I292 PolarHBondContact O-N 2.86Å; Y276-L294 HydrophobicContact CD2-CB 3.7Å; Y276-L294 HydrophobicContact CD2-CD2 4.18Å; Y276-L294 HydrophobicContact CE2-CB 3.6Å; Y276-L294 HydrophobicContact CE2-CD2 3.4Å; Y276-L294 VanDerWaalsContact CE2-CD2 3.4Å; Y276-L294 HydrophobicContact CE2-CG 4.14Å
277K97.4Very high94.3Very high44 Ų4446.6 Ų46.619%0.19125%0.25CS..EExtended strand (participates in β ladder)trans-123117.3174.3-179.8-172.475.8-164.50109.2Y237 W289 R290Y237-K277 PolarHBondContact N-O 2.81Å; Y237-K277 PolarHBondContact O-N 2.86Å; K277-W289 HydrophobicContact CD-CB 4.32Å; K277-W289 HydrophobicContact CD-CG 4.22Å; K277-W289 HydrophobicContact CG-CB 4.03Å; K277-W289 HydrophobicContact CG-CG 4.31Å; K277-R290 CarbonylContact C-O 3.59Å; K277-R290 VanDerWaalsContact CA-O 3.3Å; K277-R290 WeakPolarHBondContact CA-O 3.4Å
278C97.3Very high94.4Very high0 Ų044.9 Ų44.90%024%0.242CC..EExtended strand (participates in β ladder)trans-92.1124.6167.2600000109.4C224 I234 W236 W289 R290C224-C278 HydrophobicContact CB-CB 3.46Å; C224-C278 VanDerWaalsContact CB-CB 3.46Å; C224-C278 WeakPolarHBondContact CB-SG 3.35Å; C224-C278 WeakPolarHBondContact SG-CB 3.34Å; C224-C278 CovalentContact SG-SG 2.03Å; C224-C278 PolarHBondContact SG-SG 3.31Å; I234-C278 HydrophobicContact CG2-CB 3.88Å; W236-C278 HydrophobicContact CD2-CB 3.97Å; W236-C278 HydrophobicContact CE3-CB 3.73Å; W236-C278 HydrophobicContact CH2-CB 3.83Å; W236-C278 HydrophobicContact CZ2-CB 4.05Å; W236-C278 HydrophobicContact CZ3-CB 3.67Å; C278-W289 CarbonylContact O-C 3.59Å; C278-W289 WeakPolarHBondContact O-CA 3.31Å; C278-W289 WeakPolarHBondContact O-CB 3.28Å; C278-R290 PolarHBondContact N-O 2.92Å; C278-R290 PolarHBondContact O-N 3.12Å
279L97.4Very high94.5Very high18 Ų1851.7 Ų51.79%0.09427%0.268CS..EExtended strand (participates in β ladder)trans-104.3122.1176.3174.968.5000108.9I234 T235 Y237 N287 W289I234-L279 CarbonylContact C-O 3.58Å; I234-L279 WeakPolarHBondContact CA-O 3.3Å; T235-L279 PolarHBondContact N-O 3.26Å; T235-L279 PolarHBondContact O-N 2.81Å; Y237-L279 HydrophobicContact CD2-CB 4.42Å; Y237-L279 HydrophobicContact CE2-CB 3.96Å; Y237-L279 HydrophobicContact CE2-CD2 4.01Å; L279-N287 HydrophobicContact CD1-CB 4.04Å; L279-W289 HydrophobicContact CD1-CB 4.24Å; L279-W289 HydrophobicContact CD1-CE3 4.3Å
280A97.8Very high94.6Very high0 Ų051.8 Ų51.80%027%0.266CS..EExtended strand (participates in β ladder)trans-100.6126.7173.400000110.3P200 I202 A226 P232 I234 T288P200-A280 HydrophobicContact CB-CB 3.96Å; P200-A280 WeakPolarHBondContact CG-O 3.43Å; I202-A280 HydrophobicContact CD1-CB 4.34Å; I202-A280 HydrophobicContact CG1-CB 4.2Å; A226-A280 HydrophobicContact CB-CB 3.5Å; P232-A280 HydrophobicContact CB-CB 4.21Å; I234-A280 HydrophobicContact CD1-CB 3.52Å; A280-T288 HydrophobicContact CB-CG2 3.87Å; A280-T288 PolarHBondContact N-O 3.39Å; A280-T288 PolarHBondContact O-N 3.39Å
281Q96.4Very high94.9Very high86 Ų8652 Ų5240%0.40227%0.273SS..EExtended strand (participates in β ladder)trans-141.6143.517957.9165.441.700111.4P232 I233P232-Q281 CarbonylContact C-O 3.55Å; P232-Q281 WeakPolarHBondContact CA-O 3.44Å; I233-Q281 PolarHBondContact N-O 3.42Å; I233-Q281 PolarHBondContact O-N 3.08Å; I233-Q281 VanDerWaalsContact O-N 3.14Å
282N95.4Very high95.3Very high18 Ų1848.4 Ų48.410%0.09625%0.254CS..SBendtrans-130.826.4176.665.6-7.1000113.4V198 V229 P230 P232 L284V198-N282 PolarHBondContact O-ND2 3.07Å; V229-N282 PolarHBondContact O-ND2 2.78Å; P230-N282 WeakPolarHBondContact O-CB 3.18Å; P230-N282 PolarHBondContact O-ND2 3.14Å; P232-N282 HydrophobicContact CB-CB 4.41Å; P232-N282 HydrophobicContact CG-CB 4.4Å; N282-L284 VanDerWaalsContact C-N 3.26Å; N282-L284 PolarHBondContact O-N 3.1Å; N282-L284 WeakPolarHBondContact OD1-CB 3.41Å; N282-L284 WeakPolarHBondContact OD1-CG 3.36Å; N282-L284 PolarHBondContact OD1-N 3.49Å
283G92Very high95.4Very high80 Ų8052.3 Ų52.383%0.82527%0.272SS*.SBendtrans83.4-7-178.700000114.7
284L92.2Very high95.6Very high35 Ų3551.9 Ų51.918%0.18327%0.27CS..SBendtrans-75.1161.5169-63177.8000111.4V97 L197 P199 N282 E286V97-L284 HydrophobicContact CG1-CD1 4.4Å; V97-L284 HydrophobicContact CG2-CD2 3.77Å; L197-L284 HydrophobicContact CB-CD1 4.1Å; L197-L284 HydrophobicContact CB-CD2 4.15Å; L197-L284 HydrophobicContact CD1-CD2 3.72Å; P199-L284 HydrophobicContact CB-CD1 4.49Å; P199-L284 HydrophobicContact CG-CD1 4.2Å; N282-L284 VanDerWaalsContact C-N 3.26Å; N282-L284 PolarHBondContact O-N 3.1Å; N282-L284 WeakPolarHBondContact OD1-CB 3.41Å; N282-L284 WeakPolarHBondContact OD1-CG 3.36Å; N282-L284 PolarHBondContact OD1-N 3.49Å; L284-E286 VanDerWaalsContact C-N 3.32Å
285K89Confident95.6Very high208 Ų20852.5 Ų52.590%0.90427%0.271SS*.SBendtrans-64.4-38.5177.5-176.7-176.6177-172.30112
286E90.5Very high95.6Very high110 Ų11050.2 Ų50.251%0.51426%0.257SS..  trans-81.5123.3179.3-69.2175.5-157.900109.6P199 P200 L284P199-E286 HydrophobicContact CB-CB 4.13Å; P199-E286 HydrophobicContact CG-CB 4.48Å; P200-E286 VanDerWaalsContact CD-O 3.22Å; P200-E286 WeakPolarHBondContact CD-O 3.5Å; L284-E286 VanDerWaalsContact C-N 3.32Å
287N95.8Very high95.5Very high77 Ų7754.3 Ų54.341%0.41227%0.273SS..  trans-118.6163.4172.558.817.4000109.2L279 W289L279-N287 HydrophobicContact CD1-CB 4.04Å; N287-W289 WeakPolarHBondContact OD1-CZ3 3.48Å
288T96.4Very high95.3Very high41 Ų4152.8 Ų52.825%0.25227%0.266SS..EExtended strand (participates in β ladder)trans-135.1154.9175.6-171.50000109.3P200 I202 A280P200-T288 HydrophobicContact CB-CG2 4Å; P200-T288 HydrophobicContact CG-CG2 4.13Å; P200-T288 WeakPolarHBondContact O-CG2 3.23Å; I202-T288 HydrophobicContact CD1-CG2 3.83Å; I202-T288 HydrophobicContact CG1-CG2 3.76Å; A280-T288 HydrophobicContact CB-CG2 3.87Å; A280-T288 PolarHBondContact N-O 3.39Å; A280-T288 PolarHBondContact O-N 3.39Å
289W97.2Very high95.2Very high144 Ų14455.3 Ų55.355%0.54528%0.282SS..EExtended strand (participates in β ladder)trans-145.9154.817959.788.4000111.2I202 K277 C278 L279 N287I202-W289 VanDerWaalsContact CD1-C 3.47Å; K277-W289 HydrophobicContact CD-CB 4.32Å; K277-W289 HydrophobicContact CD-CG 4.22Å; K277-W289 HydrophobicContact CG-CB 4.03Å; K277-W289 HydrophobicContact CG-CG 4.31Å; C278-W289 CarbonylContact O-C 3.59Å; C278-W289 WeakPolarHBondContact O-CA 3.31Å; C278-W289 WeakPolarHBondContact O-CB 3.28Å; L279-W289 HydrophobicContact CD1-CB 4.24Å; L279-W289 HydrophobicContact CD1-CE3 4.3Å; N287-W289 WeakPolarHBondContact OD1-CZ3 3.48Å
290R96.7Very high95.1Very high25 Ų2554.8 Ų54.89%0.09428%0.28CS..EExtended strand (participates in β ladder)trans-122.7143.7171.8172.9-177.5-15775.6-9.8109.6I202 E204 S208 K277 C278 I292I202-R290 HydrophobicContact CD1-CB 3.94Å; I202-R290 HydrophobicContact CG2-CB 4.24Å; E204-R290 IonicContact OE1-CZ 2.81Å; E204-R290 IonicContact OE1-NH1 2.67Å; E204-R290 PolarHBondContact OE1-NH1 3.47Å; E204-R290 IonicContact OE2-CZ 3.52Å; E204-R290 IonicContact OE2-NH1 3.16Å; E204-R290 PolarHBondContact OE2-NH1 2.87Å; E204-R290 IonicContact OE2-NH2 3.29Å; E204-R290 PolarHBondContact OE2-NH2 2.77Å; S208-R290 PolarHBondContact O-NE 3.45Å; S208-R290 PolarHBondContact O-NH2 2.78Å; K277-R290 CarbonylContact C-O 3.59Å; K277-R290 VanDerWaalsContact CA-O 3.3Å; K277-R290 WeakPolarHBondContact CA-O 3.4Å; C278-R290 PolarHBondContact N-O 2.92Å; C278-R290 PolarHBondContact O-N 3.12Å; R290-I292 HydrophobicContact CG-CG1 4.37Å
291V97.1Very high94.9Very high60 Ų6057.2 Ų57.236%0.36430%0.295SS..EExtended strand (participates in β ladder)trans-108.6131.3179.4-179.30000109T275 Y276T275-V291 HydrophobicContact CG2-CG1 3.19Å; Y276-V291 CarbonylContact O-C 3.59Å; Y276-V291 WeakPolarHBondContact O-CA 3.4Å
292I97.5Very high94.9Very high0 Ų054.1 Ų54.10%028%0.281CS..EExtended strand (participates in β ladder)trans-127.3119.9179.6-60.9160.5000107.8T210 V212 L222 W236 Y276 R290T210-I292 CarbonylContact O-C 3.56Å; T210-I292 WeakPolarHBondContact O-CA 3.5Å; V212-I292 HydrophobicContact CB-CG2 4.4Å; V212-I292 HydrophobicContact CG2-CG2 3.8Å; L222-I292 HydrophobicContact CD2-CG2 4.25Å; W236-I292 HydrophobicContact CH2-CD1 4.23Å; W236-I292 HydrophobicContact CZ3-CD1 4.08Å; Y276-I292 PolarHBondContact N-O 2.68Å; Y276-I292 PolarHBondContact O-N 2.86Å; R290-I292 HydrophobicContact CG-CG1 4.37Å
293E96.4Very high94.9Very high81 Ų8154.9 Ų54.938%0.37928%0.284SS..EExtended strand (participates in β ladder)trans-83.7111.3171.1-63.3-177.6163.300109.1T210 R211 V212T210-E293 PolarHBondContact O-N 3.22Å; R211-E293 WeakPolarHBondContact CA-O 3.49Å; R211-E293 IonicContact CZ-OE2 3.15Å; R211-E293 IonicContact NE-OE2 3.49Å; R211-E293 IonicContact NH2-OE2 3.05Å; R211-E293 PolarHBondContact NH2-OE2 3.38Å; V212-E293 PolarHBondContact N-O 3.3Å
294L97Very high95.1Very high3 Ų351.7 Ų51.72%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-93.5115.4174.2-175.762.6000109.2V212 A214 V220 I265 I268 Q273 G274 Y276 V296V212-L294 HydrophobicContact CB-CD1 3.88Å; V212-L294 HydrophobicContact CG1-CD1 3.67Å; V212-L294 WeakPolarHBondContact O-CA 3.42Å; A214-L294 HydrophobicContact CB-CD1 4.29Å; V220-L294 HydrophobicContact CG1-CD1 4.14Å; I265-L294 HydrophobicContact CD1-CD2 4.07Å; I268-L294 HydrophobicContact CD1-CD2 3.56Å; I268-L294 HydrophobicContact CG1-CD2 4.36Å; Q273-L294 WeakPolarHBondContact CG-O 3.26Å; G274-L294 PolarHBondContact N-O 3.33Å; G274-L294 PolarHBondContact O-N 2.93Å; Y276-L294 HydrophobicContact CD2-CB 3.7Å; Y276-L294 HydrophobicContact CD2-CD2 4.18Å; Y276-L294 HydrophobicContact CE2-CB 3.6Å; Y276-L294 HydrophobicContact CE2-CD2 3.4Å; Y276-L294 VanDerWaalsContact CE2-CD2 3.4Å; Y276-L294 HydrophobicContact CE2-CG 4.14Å; L294-V296 HydrophobicContact CD2-CG2 4.48Å; L294-V296 HydrophobicContact CG-CG2 4.29Å
295D94.7Very high95.2Very high24 Ų2451.3 Ų51.313%0.12825%0.25CC..EExtended strand (participates in β ladder)trans-99.8111175.4-177.839.7000110.3V212 I213 A214 Q273 R297 N326V212-D295 PolarHBondContact O-N 3.26Å; I213-D295 WeakPolarHBondContact CA-O 3.48Å; I213-D295 HydrophobicContact CG1-CB 4.22Å; A214-D295 PolarHBondContact N-O 2.92Å; Q273-D295 PolarHBondContact NE2-OD1 3.27Å; D295-R297 IonicContact OD2-NE 3.93Å; D295-N326 PolarHBondContact OD1-ND2 2.61Å
296V95.5Very high95.4Very high0 Ų044.6 Ų44.60%022%0.224CC..EExtended strand (participates in β ladder)trans-95.4118.7179.6-1740000109A214 E216 I268 Q273 L294 Y298 N326A214-V296 CarbonylContact O-C 3.47Å; A214-V296 WeakPolarHBondContact O-CA 3.4Å; E216-V296 HydrophobicContact CB-CG1 4.28Å; I268-V296 HydrophobicContact CD1-CG2 4.08Å; I268-V296 HydrophobicContact CG1-CG1 4.14Å; I268-V296 HydrophobicContact CG1-CG2 3.61Å; Q273-V296 HydrophobicContact CB-CB 4.11Å; Q273-V296 HydrophobicContact CB-CG2 3.84Å; Q273-V296 HydrophobicContact CG-CG2 4.41Å; Q273-V296 PolarHBondContact OE1-O 2.7Å; L294-V296 HydrophobicContact CD2-CG2 4.48Å; L294-V296 HydrophobicContact CG-CG2 4.29Å; V296-Y298 WeakPolarHBondContact O-CD1 3.4Å; V296-N326 PolarHBondContact O-ND2 3.15Å
297R95.1Very high95.6Very high86 Ų8645.4 Ų45.433%0.32523%0.231SC..EExtended strand (participates in β ladder)trans-97.8133.4179.8-63.8-174.3172.2-171.9-1.9111.2I213 A214 H215 E216 D295 N326 F395I213-R297 HydrophobicContact CG2-CG 3.96Å; I213-R297 VanDerWaalsContact CG2-NE 3.35Å; A214-R297 PolarHBondContact O-N 2.96Å; H215-R297 WeakPolarHBondContact CA-O 3.49Å; E216-R297 PolarHBondContact N-O 2.94Å; D295-R297 IonicContact OD2-NE 3.93Å; R297-N326 CarbonylContact C-O 3.08Å; R297-N326 WeakPolarHBondContact CA-O 3.33Å; R297-N326 WeakPolarHBondContact CB-O 3.44Å; R297-F395 HydrophobicContact CB-CE2 4.49Å; R297-F395 HydrophobicContact CB-CZ 3.99Å
298Y94.5Very high95.5Very high12 Ų1247.8 Ų47.85%0.04724%0.237CC..EExtended strand (participates in β ladder)trans-153.6151.1-17657.3-88.5000111.6E216 R270 V296 N326E216-Y298 VanDerWaalsContact OE2-CB 3.28Å; E216-Y298 WeakPolarHBondContact OE2-CB 3.41Å; R270-Y298 HydrophobicContact CB-CD1 3.94Å; R270-Y298 HydrophobicContact CB-CE1 3.65Å; V296-Y298 WeakPolarHBondContact O-CD1 3.4Å; Y298-N326 HydrophobicContact CD1-CB 3.96Å; Y298-N326 HydrophobicContact CE1-CB 3.58Å; Y298-N326 PolarHBondContact N-O 3.05Å; Y298-N326 PolarHBondContact O-N 2.8Å
299P95Very high95.4Very high54 Ų5447.3 Ų47.335%0.35123%0.233SC..EExtended strand (participates in β ladder)trans-65.7153.3179.428.4-35.8000111.8F395 F398P299-F395 HydrophobicContact CB-CB 4.23Å; P299-F395 HydrophobicContact CB-CD2 4.45Å; P299-F395 HydrophobicContact CB-CG 4.35Å; P299-F398 HydrophobicContact CB-CE1 4.36Å; P299-F398 HydrophobicContact CB-CE2 4.39Å; P299-F398 HydrophobicContact CB-CZ 3.83Å
300P94.9Very high95.2Very high6 Ų642.1 Ų42.14%0.03922%0.224CC..EExtended strand (participates in β ladder)trans-73.7139.9-177.934.1-37.7000111.7I323 A324 V391 T393 F398P300-I323 HydrophobicContact CB-CG2 4.34Å; P300-A324 CarbonylContact C-O 3.55Å; P300-A324 WeakPolarHBondContact CA-O 3.22Å; P300-V391 HydrophobicContact CB-CG1 3.94Å; P300-V391 HydrophobicContact CG-CB 4.47Å; P300-V391 HydrophobicContact CG-CG1 4.07Å; P300-T393 HydrophobicContact CB-CG2 4.14Å; P300-T393 HydrophobicContact CG-CG2 3.58Å; P300-F398 HydrophobicContact CG-CB 3.97Å; P300-F398 HydrophobicContact CG-CD1 4.39Å; P300-F398 HydrophobicContact CG-CD2 3.28Å; P300-F398 HydrophobicContact CG-CE2 3.82Å; P300-F398 HydrophobicContact CG-CG 3.62Å
301T93.6Very high95.1Very high51 Ų5143.2 Ų43.231%0.31323%0.23SC..EExtended strand (participates in β ladder)trans-109.3122.8168.849.30000109.1I323 A324 L445T301-I323 WeakPolarHBondContact O-CA 3.27Å; T301-A324 PolarHBondContact N-O 3.49Å; T301-A324 PolarHBondContact O-N 2.91Å; T301-A324 PolarHBondContact OG1-O 3.17Å; T301-L445 WeakPolarHBondContact OG1-CD2 3.42Å
302I95.6Very high94.8Very high21 Ų2144.2 Ų44.211%0.10823%0.233CC..EExtended strand (participates in β ladder)trans-106.1110.7-179.5-51.7169.9000108.8M304 C389 V391 F398 N400I302-M304 HydrophobicContact CG2-SD 4.05Å; I302-C389 HydrophobicContact CG2-CB 4.08Å; I302-V391 HydrophobicContact CD1-CB 4.06Å; I302-V391 HydrophobicContact CD1-CG2 3.54Å; I302-V391 HydrophobicContact CG1-CG2 3.8Å; I302-F398 HydrophobicContact CD1-CB 3.93Å; I302-F398 WeakPolarHBondContact CD1-O 3.42Å; I302-N400 HydrophobicContact CB-CB 3.92Å; I302-N400 HydrophobicContact CG2-CB 3.72Å; I302-N400 PolarHBondContact O-ND2 3.04Å
303E95.5Very high94.5Very high34 Ų3447.5 Ų47.516%0.15925%0.25CS..EExtended strand (participates in β ladder)trans-104.2119174.9-174.6164.8-150.200110.8A321 V322 M441 K444 L445E303-A321 CarbonylContact O-C 3.55Å; E303-A321 VanDerWaalsContact O-CA 3.28Å; E303-A321 WeakPolarHBondContact O-CA 3.14Å; E303-V322 PolarHBondContact N-O 3.08Å; E303-V322 PolarHBondContact O-N 3.18Å; E303-M441 HydrophobicContact CG-CG 4.26Å; E303-M441 HydrophobicContact CG-SD 4.35Å; E303-K444 WeakPolarHBondContact OE1-CD 3.4Å; E303-K444 IonicContact OE1-NZ 3.02Å; E303-K444 PolarHBondContact OE1-NZ 3.46Å; E303-L445 HydrophobicContact CB-CD1 4.36Å
304M96.7Very high94.1Very high14 Ų1451.3 Ų51.37%0.06927%0.266CS..EExtended strand (participates in β ladder)trans-86.7136.6174.5-54.4-55.7-67.500109.7I302 N306 V319 A321 W333 C389 N400 T402I302-M304 HydrophobicContact CG2-SD 4.05Å; M304-N306 PolarHBondContact O-N 3.18Å; M304-V319 HydrophobicContact CE-CG1 3.57Å; M304-A321 HydrophobicContact CE-CB 4.22Å; M304-A321 HydrophobicContact SD-CB 3.72Å; M304-W333 HydrophobicContact CE-CH2 3.69Å; M304-W333 HydrophobicContact CE-CZ3 3.71Å; M304-C389 HydrophobicContact SD-CB 4.24Å; M304-N400 HydrophobicContact CG-CB 3.92Å; M304-N400 HydrophobicContact SD-CB 4.13Å; M304-T402 WeakPolarHBondContact CE-OG1 3.44Å
305A94.6Very high93.6Very high27 Ų2751.9 Ų51.922%0.22327%0.272CS..SBendtrans-63.3-31.9179.200000112.9R320 M441A305-R320 HydrophobicContact CB-CB 3.69Å; A305-R320 PolarHBondContact N-O 3.5Å; A305-M441 VanDerWaalsContact CA-SD 3.55Å; A305-M441 HydrophobicContact CB-CE 3.81Å; A305-M441 HydrophobicContact CB-SD 3.78Å
306N94Very high93.3Very high67 Ų6754.7 Ų54.736%0.35829%0.29SS..  trans-142.3139.2175.7-61.3-75.8000109M304 L309 T402M304-N306 PolarHBondContact O-N 3.18Å; N306-L309 HydrophobicContact CB-CD2 3.74Å; N306-L309 HydrophobicContact CB-CG 3.92Å; N306-L309 WeakPolarHBondContact ND2-CD2 3.33Å; N306-T402 WeakPolarHBondContact O-CB 3.45Å; N306-T402 VanDerWaalsContact O-CG2 3.23Å; N306-T402 WeakPolarHBondContact O-CG2 3.35Å; N306-T402 PolarHBondContact O-OG1 3.44Å
307L93.8Very high93.2Very high127 Ų12755.4 Ų55.467%0.66530%0.295SS*.SBendtrans-75.5-34.5172.4-63.3176.1000111.5T402 E403L307-T402 WeakPolarHBondContact O-CA 3.5Å; L307-E403 PolarHBondContact O-N 2.99Å
308K94.1Very high93.1Very high127 Ų12754 Ų5455%0.55229%0.292SS*.EExtended strand (participates in β ladder)trans-135.9143.7176.4-52.3-164.1178.4-145.30111.1E403 F405K308-E403 CarbonylContact C-O 3.6Å; K308-E403 VanDerWaalsContact CA-O 3.23Å; K308-E403 WeakPolarHBondContact CA-O 3.42Å; K308-E403 VanDerWaalsContact CD-OE2 3.27Å; K308-E403 WeakPolarHBondContact CD-OE2 3.5Å; K308-E403 WeakPolarHBondContact CE-OE2 3.35Å; K308-E403 HydrophobicContact CG-CB 4.18Å; K308-E403 IonicContact NZ-OE2 3.84Å; K308-E403 PolarHBondContact NZ-OE2 2.77Å; K308-F405 HydrophobicContact CB-CD1 4.13Å; K308-F405 HydrophobicContact CB-CE1 3.84Å
309L94Very high93.1Very high31 Ų3153.4 Ų53.416%0.16229%0.29CS..EExtended strand (participates in β ladder)trans-130.5115.5177.7-74.8175.2000110N306 V319 T402 E403 I404 F405N306-L309 HydrophobicContact CB-CD2 3.74Å; N306-L309 HydrophobicContact CB-CG 3.92Å; N306-L309 WeakPolarHBondContact ND2-CD2 3.33Å; L309-V319 HydrophobicContact CD1-CG2 4.3Å; L309-T402 HydrophobicContact CB-CG2 4.36Å; L309-T402 HydrophobicContact CD1-CG2 3.8Å; L309-T402 HydrophobicContact CG-CG2 3.86Å; L309-E403 PolarHBondContact N-O 2.95Å; L309-I404 HydrophobicContact CB-CG1 4.36Å; L309-I404 WeakPolarHBondContact O-CA 3.33Å; L309-F405 WeakPolarHBondContact O-CD1 3.27Å; L309-F405 PolarHBondContact O-N 2.87Å
310G93Very high93.1Very high34 Ų3452.5 Ų52.535%0.35128%0.28SS..EExtended strand (participates in β ladder)trans-86.4120.1175.500000111.2F405G310-F405 VanDerWaalsContact CA-CZ 3.46Å; G310-F405 WeakPolarHBondContact CA-O 3.33Å
311Q94Very high93Very high48 Ų4852.2 Ų52.222%0.22428%0.278CS..EExtended strand (participates in β ladder)trans-136.6139.8-175.1-167.763.35300113.6L379 Y384 I404 F405 R406 T407Q311-L379 HydrophobicContact CB-CD1 3.75Å; Q311-L379 HydrophobicContact CG-CD1 3.18Å; Q311-Y384 WeakPolarHBondContact O-CE1 3.5Å; Q311-Y384 PolarHBondContact O-OH 3.09Å; Q311-I404 HydrophobicContact CB-CG2 4.28Å; Q311-F405 PolarHBondContact N-O 3.01Å; Q311-R406 WeakPolarHBondContact O-CA 3.49Å; Q311-T407 PolarHBondContact N-OG1 3.15Å; Q311-T407 PolarHBondContact O-N 3.41Å; Q311-T407 VanDerWaalsContact O-N 3.11Å
312L91.1Very high93Very high82 Ų8249.8 Ų49.843%0.42926%0.263SS..  trans-69.6151.9176-70.1163.1000112.2G315 Y384 T407L312-G315 PolarHBondContact O-N 2.78Å; L312-G315 VanDerWaalsContact O-N 3.11Å; L312-Y384 VanDerWaalsContact C-OH 3.23Å; L312-Y384 PolarHBondContact O-OH 3.3Å; L312-T407 PolarHBondContact N-OG1 3.48Å
313L91Very high92.9Very high69 Ų6948.8 Ų48.836%0.36126%0.258SS..THydrogen-bonded Turntrans-60.9145.4173.7-168.970.5000110.5G315 L379 M381 Y384L313-G315 PolarHBondContact O-N 2.85Å; L313-G315 VanDerWaalsContact O-N 3.08Å; L313-L379 WeakPolarHBondContact CD1-O 3.43Å; L313-M381 HydrophobicContact CD1-CE 3.53Å; L313-M381 HydrophobicContact CD1-CG 4.49Å; L313-M381 HydrophobicContact CD1-SD 4.18Å; L313-M381 HydrophobicContact CD2-CE 3.76Å; L313-M381 HydrophobicContact CG-CE 4.16Å; L313-Y384 WeakPolarHBondContact CA-OH 3.42Å; L313-Y384 HydrophobicContact CD1-CE2 4.22Å; L313-Y384 PolarHBondContact N-OH 2.96Å; L313-Y384 VanDerWaalsContact N-OH 3.15Å
314K87.3Confident92.7Very high161 Ų16147.3 Ų47.370%0.725%0.252SS*.THydrogen-bonded Turntrans62.12.3-172.5-53.8-179.9178.5179.70114.3L379K314-L379 WeakPolarHBondContact CA-O 3.16Å; K314-L379 PolarHBondContact N-O 2.65Å
315G86.8Confident92.5Very high15 Ų1546.7 Ų46.716%0.15525%0.249CC..  trans-69.3159.2173.300000112.1L312 L313 N378 L379L312-G315 PolarHBondContact O-N 2.78Å; L312-G315 VanDerWaalsContact O-N 3.11Å; L313-G315 PolarHBondContact O-N 2.85Å; L313-G315 VanDerWaalsContact O-N 3.08Å; G315-N378 PolarHBondContact O-N 2.85Å; G315-L379 WeakPolarHBondContact O-CB 3.25Å; G315-L379 VanDerWaalsContact O-CG 3.32Å; G315-L379 WeakPolarHBondContact O-CG 3.26Å; G315-L379 PolarHBondContact O-N 2.88Å
316T89.7Confident92.5Very high82 Ų8246.6 Ų46.650%0.50325%0.245SC..  trans-107.6138.9167.1-66.20000107.8F375 I376 N378T316-F375 HydrophobicContact CG2-CD1 4.38Å; T316-I376 WeakPolarHBondContact CA-O 3.37Å; T316-N378 PolarHBondContact OG1-N 2.64Å
317T92.8Very high92.4Very high16 Ų1645 Ų4510%0.09824%0.238CC..EExtended strand (participates in β ladder)trans-139.5172-179.3-164.30000111.4I376 L379 I404T317-I376 HydrophobicContact CG2-CB 4.21Å; T317-I376 HydrophobicContact CG2-CD1 4.18Å; T317-I376 PolarHBondContact N-O 2.76Å; T317-I376 PolarHBondContact O-N 2.88Å; T317-L379 HydrophobicContact CG2-CD1 3.89Å; T317-L379 HydrophobicContact CG2-CD2 4.49Å; T317-I404 HydrophobicContact CG2-CD1 3.76Å
318M92.6Very high92.3Very high55 Ų5540.8 Ų40.827%0.27122%0.216SC..EExtended strand (participates in β ladder)trans-139.7132.9177.667.5-177.1-169.300111.8T373 L374 F375M318-T373 HydrophobicContact CB-CG2 3.7Å; M318-T373 HydrophobicContact CG-CG2 4.21Å; M318-T373 HydrophobicContact SD-CG2 4.06Å; M318-L374 CarbonylContact C-O 3.55Å; M318-L374 VanDerWaalsContact CA-O 3.22Å; M318-L374 WeakPolarHBondContact CA-O 3.37Å; M318-F375 HydrophobicContact CB-CD1 4.09Å; M318-F375 HydrophobicContact CB-CD2 4.32Å; M318-F375 HydrophobicContact CB-CE1 4.05Å; M318-F375 HydrophobicContact CB-CE2 4.27Å; M318-F375 HydrophobicContact CB-CG 4.24Å; M318-F375 HydrophobicContact CB-CZ 4.14Å; M318-F375 HydrophobicContact CG-CZ 4.49Å; M318-F375 HydrophobicContact SD-CE1 4.19Å; M318-F375 HydrophobicContact SD-CE2 4.1Å; M318-F375 HydrophobicContact SD-CZ 3.63Å
319V95Very high92.1Very high0 Ų039.8 Ų39.80%022%0.216CC..EExtended strand (participates in β ladder)trans-99.1134.5170.5-174.20000107.8M304 L309 W333 T373 L374 I376 Y387 T402 I404M304-V319 HydrophobicContact CE-CG1 3.57Å; L309-V319 HydrophobicContact CD1-CG2 4.3Å; V319-W333 HydrophobicContact CB-CH2 4.2Å; V319-W333 HydrophobicContact CB-CZ3 4.27Å; V319-W333 HydrophobicContact CG1-CH2 3.64Å; V319-W333 HydrophobicContact CG1-CZ3 3.69Å; V319-T373 CarbonylContact O-C 3.51Å; V319-T373 WeakPolarHBondContact O-CA 3.32Å; V319-L374 HydrophobicContact CB-CB 4.37Å; V319-L374 PolarHBondContact N-O 3.38Å; V319-L374 PolarHBondContact O-N 2.84Å; V319-I376 HydrophobicContact CG2-CD1 4.1Å; V319-Y387 HydrophobicContact CG2-CG 4.44Å; V319-T402 HydrophobicContact CG1-CG2 4.19Å; V319-T402 WeakPolarHBondContact CG1-OG1 3.41Å; V319-T402 HydrophobicContact CG2-CG2 4.41Å; V319-I404 HydrophobicContact CG2-CD1 3.68Å; V319-I404 HydrophobicContact CG2-CG1 4.28Å
320R94Very high91.9Very high36 Ų3642 Ų4214%0.13623%0.227CC..EExtended strand (participates in β ladder)trans-120.9138.2-178.9-71.1178.6-68.3-177.30.4109.8A305 T372 T373 S437A305-R320 HydrophobicContact CB-CB 3.69Å; A305-R320 PolarHBondContact N-O 3.5Å; R320-T372 WeakPolarHBondContact CA-O 2.86Å; R320-T373 HydrophobicContact CG-CG2 3.86Å; R320-S437 VanDerWaalsContact CZ-OG 3.31Å; R320-S437 PolarHBondContact NH1-OG 3.46Å; R320-S437 PolarHBondContact NH2-OG 2.86Å
321A94.5Very high91.9Very high0 Ų042.6 Ų42.60%022%0.221CC..EExtended strand (participates in β ladder)trans-135.4147173.600000111E303 M304 W333 T372 C389E303-A321 CarbonylContact O-C 3.55Å; E303-A321 VanDerWaalsContact O-CA 3.28Å; E303-A321 WeakPolarHBondContact O-CA 3.14Å; M304-A321 HydrophobicContact CE-CB 4.22Å; M304-A321 HydrophobicContact SD-CB 3.72Å; A321-W333 HydrophobicContact CB-CH2 3.75Å; A321-W333 HydrophobicContact CB-CZ2 3.9Å; A321-T372 HydrophobicContact CB-CG2 4.03Å; A321-T372 PolarHBondContact N-O 2.87Å; A321-T372 PolarHBondContact O-N 2.85Å; A321-C389 HydrophobicContact CB-CB 4.23Å
322V93.2Very high91.8Very high0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-118123.9168.4-173.40000107.8E303 I369 I370 R371 Y438 M441 L445E303-V322 PolarHBondContact N-O 3.08Å; E303-V322 PolarHBondContact O-N 3.18Å; V322-I369 HydrophobicContact CG1-CG2 3.68Å; V322-I370 WeakPolarHBondContact CA-O 3.22Å; V322-R371 HydrophobicContact CG1-CG 4.31Å; V322-R371 HydrophobicContact CG2-CG 4.26Å; V322-Y438 HydrophobicContact CG2-CD1 3.81Å; V322-Y438 HydrophobicContact CG2-CE1 4.12Å; V322-M441 HydrophobicContact CB-CB 4.25Å; V322-M441 HydrophobicContact CG2-CB 3.65Å; V322-M441 HydrophobicContact CG2-CE 3.67Å; V322-M441 HydrophobicContact CG2-CG 4.37Å; V322-M441 HydrophobicContact CG2-SD 3.85Å; V322-L445 HydrophobicContact CB-CD1 3.96Å; V322-L445 HydrophobicContact CG1-CD1 3.52Å
323I92.8Very high92Very high0 Ų039.5 Ų39.50%020%0.202CC..EExtended strand (participates in β ladder)trans-110.6126.6-179.8-53.2157.1000106.9P300 T301 I328 F331 I369 I370 T372 V391P300-I323 HydrophobicContact CB-CG2 4.34Å; T301-I323 WeakPolarHBondContact O-CA 3.27Å; I323-I328 HydrophobicContact CG2-CD1 3.76Å; I323-F331 HydrophobicContact CD1-CB 3.96Å; I323-F331 HydrophobicContact CD1-CD2 3.8Å; I323-F331 HydrophobicContact CD1-CE2 4.46Å; I323-F331 HydrophobicContact CD1-CG 3.83Å; I323-I369 CarbonylContact O-C 3.51Å; I323-I369 VanDerWaalsContact O-CA 3.27Å; I323-I369 WeakPolarHBondContact O-CA 3.4Å; I323-I370 HydrophobicContact CB-CB 4.27Å; I323-I370 HydrophobicContact CD1-CB 4.37Å; I323-I370 HydrophobicContact CD1-CG2 4.38Å; I323-I370 PolarHBondContact N-O 2.86Å; I323-I370 PolarHBondContact O-N 2.9Å; I323-T372 HydrophobicContact CD1-CG2 4.25Å; I323-V391 HydrophobicContact CD1-CG2 3.77Å; I323-V391 HydrophobicContact CG1-CG2 3.97Å; I323-V391 HydrophobicContact CG2-CG1 4.11Å; I323-V391 HydrophobicContact CG2-CG2 3.75Å
324A92.2Very high92.1Very high3 Ų336.8 Ų36.83%0.02519%0.187CC..EExtended strand (participates in β ladder)trans-123.4120.6172.100000110P300 T301 G368 I369 L445P300-A324 CarbonylContact C-O 3.55Å; P300-A324 WeakPolarHBondContact CA-O 3.22Å; T301-A324 PolarHBondContact N-O 3.49Å; T301-A324 PolarHBondContact O-N 2.91Å; T301-A324 PolarHBondContact OG1-O 3.17Å; A324-G368 CarbonylContact C-O 3.55Å; A324-G368 VanDerWaalsContact CA-O 3.32Å; A324-G368 WeakPolarHBondContact CA-O 3.41Å; A324-I369 HydrophobicContact CB-CG1 4.19Å; A324-L445 HydrophobicContact CB-CB 4.26Å; A324-L445 HydrophobicContact CB-CD1 4.1Å; A324-L445 HydrophobicContact CB-CD2 4.49Å
325G92.5Very high92.5Very high1 Ų131 Ų311%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-169.4154.6-175.300000112.7G368G325-G368 PolarHBondContact N-O 2.76Å
326N93.1Very high92.8Very high25 Ų2535.1 Ų35.113%0.13418%0.177CC..EExtended strand (participates in β ladder)trans-146.8113.3175.9-172.622.5000112.2Q273 D295 V296 R297 Y298Q273-N326 PolarHBondContact NE2-ND2 3.08Å; Q273-N326 PolarHBondContact OE1-ND2 3.35Å; D295-N326 PolarHBondContact OD1-ND2 2.61Å; V296-N326 PolarHBondContact O-ND2 3.15Å; R297-N326 CarbonylContact C-O 3.08Å; R297-N326 WeakPolarHBondContact CA-O 3.33Å; R297-N326 WeakPolarHBondContact CB-O 3.44Å; Y298-N326 HydrophobicContact CD1-CB 3.96Å; Y298-N326 HydrophobicContact CE1-CB 3.58Å; Y298-N326 PolarHBondContact N-O 3.05Å; Y298-N326 PolarHBondContact O-N 2.8Å
327P93.2Very high92.9Very high33 Ų3333.5 Ų33.521%0.21418%0.177CC..SBendcis-85.7158.2-3.835.1-34.6000112.8T393 P394P327-T393 WeakPolarHBondContact O-CG2 3.35Å; P327-P394 HydrophobicContact CG-CG 3.75Å
328I91Very high92.9Very high39 Ų3942.3 Ų42.320%0.221%0.209CC..  trans-107117.9168.3-63.8167.9000107.7I323 I370 V391I323-I328 HydrophobicContact CG2-CD1 3.76Å; I328-I370 HydrophobicContact CB-CD1 4.42Å; I328-I370 HydrophobicContact CD1-CD1 3.75Å; I328-I370 HydrophobicContact CD1-CG1 4.15Å; I328-I370 HydrophobicContact CG2-CD1 4Å; I328-V391 HydrophobicContact CG2-CG1 3.94Å
329N91Very high92.8Very high106 Ų10642.5 Ų42.557%0.56721%0.214SC*.  trans-79.8-49.7-179.4-65-16.6000110.6E392N329-E392 WeakPolarHBondContact CB-O 3.31Å; N329-E392 PolarHBondContact N-O 2.78Å
330L90.1Very high92.5Very high76 Ų7643.2 Ų43.240%0.39822%0.218SC..EExtended strand (participates in β ladder)trans-157.3159.9175.864.889.2000110.8Y332 E392L330-Y332 HydrophobicContact CD1-CD1 3.47Å; L330-Y332 VanDerWaalsContact CD1-CD1 3.47Å; L330-Y332 HydrophobicContact CD1-CE1 3.57Å; L330-E392 HydrophobicContact CD1-CB 4.09Å; L330-E392 HydrophobicContact CD1-CG 3.93Å; L330-E392 HydrophobicContact CG-CB 4.03Å; L330-E392 HydrophobicContact CG-CG 4.38Å; L330-E392 PolarHBondContact N-O 2.75Å; L330-E392 PolarHBondContact O-N 3.05Å
331F91.7Very high91.7Very high48 Ų4849.4 Ų49.421%0.21125%0.248CC..EExtended strand (participates in β ladder)trans-140.9152.4168.579.7-81000110.3I323 V360 I370 T372 V390 V391I323-F331 HydrophobicContact CD1-CB 3.96Å; I323-F331 HydrophobicContact CD1-CD2 3.8Å; I323-F331 HydrophobicContact CD1-CE2 4.46Å; I323-F331 HydrophobicContact CD1-CG 3.83Å; F331-V360 HydrophobicContact CE1-CG1 4.32Å; F331-V360 HydrophobicContact CZ-CB 4.49Å; F331-V360 HydrophobicContact CZ-CG1 3.98Å; F331-V360 HydrophobicContact CZ-CG2 3.66Å; F331-I370 HydrophobicContact CD1-CD1 3.99Å; F331-I370 HydrophobicContact CD1-CG2 4.33Å; F331-I370 HydrophobicContact CE1-CD1 4.15Å; F331-I370 HydrophobicContact CE1-CG2 3.77Å; F331-I370 HydrophobicContact CZ-CG2 3.88Å; F331-T372 HydrophobicContact CD2-CG2 4.38Å; F331-T372 HydrophobicContact CE2-CG2 3.87Å; F331-V390 CarbonylContact C-O 3.57Å; F331-V390 WeakPolarHBondContact CA-O 3.36Å; F331-V390 WeakPolarHBondContact CB-O 3.46Å; F331-V391 HydrophobicContact CB-CG2 3.99Å
332Y92.4Very high89.9Confident64 Ų6450.5 Ų50.525%0.25126%0.259SS..EExtended strand (participates in β ladder)trans-153.2169.1176.656.6-84.2000111.2L330 E334 P339 V390 E392L330-Y332 HydrophobicContact CD1-CD1 3.47Å; L330-Y332 VanDerWaalsContact CD1-CD1 3.47Å; L330-Y332 HydrophobicContact CD1-CE1 3.57Å; Y332-E334 HydrophobicContact CD2-CG 4.03Å; Y332-E334 HydrophobicContact CE2-CG 3.75Å; Y332-E334 WeakPolarHBondContact CE2-OE1 3.29Å; Y332-P339 HydrophobicContact CD2-CB 4.33Å; Y332-P339 HydrophobicContact CE2-CG 4.39Å; Y332-V390 HydrophobicContact CD1-CB 4.48Å; Y332-V390 HydrophobicContact CD2-CB 4.21Å; Y332-V390 HydrophobicContact CE1-CB 4.14Å; Y332-V390 HydrophobicContact CE1-CG1 3.98Å; Y332-V390 HydrophobicContact CE2-CB 3.83Å; Y332-V390 HydrophobicContact CE2-CG1 4.14Å; Y332-V390 HydrophobicContact CE2-CG2 4.09Å; Y332-V390 PolarHBondContact N-O 2.66Å; Y332-V390 PolarHBondContact O-N 3.03Å; Y332-E392 HydrophobicContact CE1-CG 4.48Å; Y332-E392 WeakPolarHBondContact CE1-OE1 3.28Å; Y332-E392 PolarHBondContact OH-OE1 2.9Å
333W94.5Very high87.9Confident0 Ų056.4 Ų56.40%030%0.297CS..EExtended strand (participates in β ladder)trans-104.3143.4175.9-72.294.7000110.6M304 V319 A321 I340 I358 T372 L374 T388 C389M304-W333 HydrophobicContact CE-CH2 3.69Å; M304-W333 HydrophobicContact CE-CZ3 3.71Å; V319-W333 HydrophobicContact CB-CH2 4.2Å; V319-W333 HydrophobicContact CB-CZ3 4.27Å; V319-W333 HydrophobicContact CG1-CH2 3.64Å; V319-W333 HydrophobicContact CG1-CZ3 3.69Å; A321-W333 HydrophobicContact CB-CH2 3.75Å; A321-W333 HydrophobicContact CB-CZ2 3.9Å; W333-I340 HydrophobicContact CB-CB 4.37Å; W333-I340 HydrophobicContact CB-CD1 4.09Å; W333-I340 PolarHBondContact O-N 3.37Å; W333-I358 HydrophobicContact CB-CD1 4.41Å; W333-I358 HydrophobicContact CG-CD1 4.44Å; W333-T372 HydrophobicContact CZ2-CG2 3.77Å; W333-T372 PolarHBondContact NE1-OG1 3.24Å; W333-T372 VanDerWaalsContact NE1-OG1 3.14Å; W333-L374 HydrophobicContact CB-CD2 4.21Å; W333-L374 HydrophobicContact CD2-CB 3.86Å; W333-L374 HydrophobicContact CD2-CD2 4Å; W333-L374 HydrophobicContact CD2-CG 4.46Å; W333-L374 HydrophobicContact CE3-CB 4.28Å; W333-L374 HydrophobicContact CE3-CD2 3.92Å; W333-L374 HydrophobicContact CG-CB 4.19Å; W333-L374 HydrophobicContact CG-CD1 4.47Å; W333-L374 HydrophobicContact CG-CD2 4.15Å; W333-L374 HydrophobicContact CH2-CB 4.49Å; W333-L374 HydrophobicContact CZ2-CB 4.1Å; W333-T388 CarbonylContact C-O 3.45Å; W333-T388 WeakPolarHBondContact CA-O 3.43Å; W333-C389 HydrophobicContact CD2-CB 4.37Å; W333-C389 HydrophobicContact CE3-CB 4.03Å; W333-C389 HydrophobicContact CH2-CB 3.96Å; W333-C389 HydrophobicContact CZ2-CB 4.3Å; W333-C389 HydrophobicContact CZ3-CB 3.81Å
334E94.5Very high85.7Confident13 Ų1361.9 Ų61.96%0.06133%0.327CS..EExtended strand (participates in β ladder)trans-120.9148.2172-68176.1174.400110.5Y332 R338 Y387 T388 V390 R399Y332-E334 HydrophobicContact CD2-CG 4.03Å; Y332-E334 HydrophobicContact CE2-CG 3.75Å; Y332-E334 WeakPolarHBondContact CE2-OE1 3.29Å; E334-R338 CarbonylContact C-O 3.53Å; E334-R338 WeakPolarHBondContact CA-O 3.02Å; E334-Y387 CarbonylContact O-C 3.54Å; E334-Y387 WeakPolarHBondContact O-CA 3.36Å; E334-T388 PolarHBondContact N-O 3.07Å; E334-T388 PolarHBondContact O-N 3.28Å; E334-V390 VanDerWaalsContact CD-CG2 3.49Å; E334-V390 HydrophobicContact CG-CG2 3.89Å; E334-R399 IonicContact OE1-NH2 2.99Å; E334-R399 PolarHBondContact OE1-NH2 2.78Å; E334-R399 IonicContact OE2-CZ 2.67Å; E334-R399 IonicContact OE2-NH1 3.33Å; E334-R399 PolarHBondContact OE2-NH1 3.15Å; E334-R399 IonicContact OE2-NH2 2.72Å; E334-R399 PolarHBondContact OE2-NH2 3.46Å
335F94.6Very high84Confident38 Ų3864.5 Ų64.517%0.16735%0.345CS..EExtended strand (participates in β ladder)trans-117.1119.6165.5174-115.7000108.6G337 R338 I340 A382 Y387F335-G337 PolarHBondContact O-N 3.46Å; F335-R338 PolarHBondContact N-O 3.17Å; F335-R338 PolarHBondContact O-N 3.5Å; F335-I340 HydrophobicContact CB-CD1 3.93Å; F335-I340 HydrophobicContact CB-CG1 3.99Å; F335-A382 WeakPolarHBondContact CE1-O 3.43Å; F335-A382 VanDerWaalsContact CZ-O 3.29Å; F335-A382 WeakPolarHBondContact CZ-O 3.42Å; F335-Y387 HydrophobicContact CB-CD1 4.16Å; F335-Y387 HydrophobicContact CB-CE1 3.88Å; F335-Y387 AromaticContact CD2-CD1 3.96Å; F335-Y387 HydrophobicContact CD2-CD1 3.96Å; F335-Y387 HydrophobicContact CD2-CD2 4Å; F335-Y387 AromaticContact CD2-CE1 3.51Å; F335-Y387 HydrophobicContact CD2-CE1 3.51Å; F335-Y387 AromaticContact CD2-CE2 3.57Å; F335-Y387 HydrophobicContact CD2-CE2 3.57Å; F335-Y387 HydrophobicContact CD2-CG 4.21Å; F335-Y387 AromaticContact CD2-CZ 3.31Å; F335-Y387 HydrophobicContact CE2-CD2 4.37Å; F335-Y387 HydrophobicContact CE2-CE1 4.34Å; F335-Y387 AromaticContact CE2-CE2 3.69Å; F335-Y387 HydrophobicContact CE2-CE2 3.69Å; F335-Y387 AromaticContact CE2-CZ 3.68Å; F335-Y387 HydrophobicContact CG-CD1 4.47Å; F335-Y387 AromaticContact CG-CE1 3.92Å; F335-Y387 HydrophobicContact CG-CE1 3.92Å
336E93Very high82.7Confident102 Ų10268.8 Ų68.848%0.47737%0.368SS..THydrogen-bonded Turntrans48.445-178-65.6-65.1160.100112.5R338 G385 H386E336-R338 VanDerWaalsContact C-N 3.28Å; E336-R338 PolarHBondContact O-N 3.23Å; E336-G385 WeakPolarHBondContact OE1-CA 3.29Å; E336-H386 PolarHBondContact N-O 3.06Å; E336-H386 IonicContact OE1-CG 3.43Å; E336-H386 PolarHBondContact OE1-N 3.48Å; E336-H386 IonicContact OE1-ND1 3.11Å; E336-H386 PolarHBondContact OE1-ND1 3.1Å; E336-H386 VanDerWaalsContact OE1-ND1 3.11Å
337G92.2Very high81.8Confident49 Ų4968.4 Ų68.451%0.50537%0.367SS..THydrogen-bonded Turntrans77.80.5179.200000115.7F335F335-G337 PolarHBondContact O-N 3.46Å
338R92.1Very high80.9Confident201 Ų20174.8 Ų74.876%0.75840%0.398SS*.EExtended strand (participates in β ladder)trans-101.3128.7176.2-63.3-176.5-177.5-178.10.9110.7E334 F335 E336 I340E334-R338 CarbonylContact C-O 3.53Å; E334-R338 WeakPolarHBondContact CA-O 3.02Å; F335-R338 PolarHBondContact N-O 3.17Å; F335-R338 PolarHBondContact O-N 3.5Å; E336-R338 VanDerWaalsContact C-N 3.28Å; E336-R338 PolarHBondContact O-N 3.23Å; R338-I340 PolarHBondContact O-N 3.08Å
339P91.5Very high80.2Confident58 Ų5877.8 Ų77.838%0.37742%0.418SS..EExtended strand (participates in β ladder)trans-58.3132.4176.5-23.332.7000111.6Y332 H341Y332-P339 HydrophobicContact CD2-CB 4.33Å; Y332-P339 HydrophobicContact CE2-CG 4.39Å; P339-H341 PolarHBondContact O-N 3.12Å; P339-H341 VanDerWaalsContact O-N 3.14Å
340I89.2Confident79.3Confident16 Ų1675.3 Ų75.38%0.08241%0.408CS..  trans-81.292.9173.2-59.4178.1000107.1W333 F335 R338 Y356 L374 Y387W333-I340 HydrophobicContact CB-CB 4.37Å; W333-I340 HydrophobicContact CB-CD1 4.09Å; W333-I340 PolarHBondContact O-N 3.37Å; F335-I340 HydrophobicContact CB-CD1 3.93Å; F335-I340 HydrophobicContact CB-CG1 3.99Å; R338-I340 PolarHBondContact O-N 3.08Å; I340-Y356 HydrophobicContact CD1-CD1 4.35Å; I340-Y356 HydrophobicContact CD1-CE1 4.23Å; I340-Y356 HydrophobicContact CG2-CD1 4.09Å; I340-Y356 HydrophobicContact CG2-CD2 3.41Å; I340-Y356 VanDerWaalsContact CG2-CD2 3.41Å; I340-Y356 HydrophobicContact CG2-CE2 3.98Å; I340-Y356 HydrophobicContact CG2-CG 3.46Å; I340-Y356 VanDerWaalsContact CG2-CG 3.46Å; I340-L374 HydrophobicContact CD1-CD1 4.29Å; I340-L374 HydrophobicContact CD1-CD2 3.67Å; I340-Y387 HydrophobicContact CD1-CD1 3.8Å; I340-Y387 HydrophobicContact CD1-CE1 3.9Å
341H75.9Confident78.6Confident165 Ų16576.5 Ų76.576%0.76441%0.413SS*.  trans-84117.2171.3-62.7-68000109.7P339P339-H341 PolarHBondContact O-N 3.12Å; P339-H341 VanDerWaalsContact O-N 3.14Å
342G57.9Low77.7Confident24 Ų2480.2 Ų80.225%0.24744%0.441CS..  trans-106.7140.4169.200000110.4N344 S345G342-N344 PolarHBondContact O-N 3.39Å; G342-S345 PolarHBondContact O-N 3.43Å
343P50.5Low76.9Confident123 Ų12385.1 Ų85.180%0.79947%0.472SS*.THydrogen-bonded Turntrans-57.6-20.4179-21.331.1000114.1
344N46.4Very low76.2Confident115 Ų11587 Ų8762%0.61548%0.48SS*.THydrogen-bonded Turntrans-142.976.3167.4-75.5-44.6000108G342 N346 C347G342-N344 PolarHBondContact O-N 3.39Å; N344-N346 CarbonylContact O-C 3.5Å; N344-N346 PolarHBondContact O-N 2.97Å; N344-C347 PolarHBondContact O-N 2.89Å
345S56.6Low75.9Confident58 Ų5889.4 Ų89.441%0.40649%0.491SS..SBendtrans-56.62.8178.364.60000115.1G342 I358G342-S345 PolarHBondContact O-N 3.43Å; S345-I358 VanDerWaalsContact O-CB 3.28Å; S345-I358 WeakPolarHBondContact O-CB 3.46Å
346N65.3Low75.6Confident92 Ų9290 Ų9049%0.49249%0.493SS..SBendtrans-119.272.2165.3-61.5-45.7000108.2N344N344-N346 CarbonylContact O-C 3.5Å; N344-N346 PolarHBondContact O-N 2.97Å
347C75.1Confident75.4Confident16 Ų1685.4 Ų85.411%0.10847%0.472CS..  trans-68146.6167.451.60000108.4N344 C357 I358 L359N344-C347 PolarHBondContact O-N 2.89Å; C347-C357 HydrophobicContact CB-CB 3.99Å; C347-C357 WeakPolarHBondContact CB-SG 3.42Å; C347-C357 WeakPolarHBondContact SG-CA 3.27Å; C347-C357 WeakPolarHBondContact SG-CB 3.42Å; C347-C357 CovalentContact SG-SG 2.01Å; C347-C357 PolarHBondContact SG-SG 3.22Å; C347-I358 PolarHBondContact N-O 3.05Å; C347-I358 VanDerWaalsContact SG-C 3.58Å; C347-I358 PolarHBondContact SG-N 3.48Å; C347-I358 PolarHBondContact SG-O 3.26Å; C347-L359 WeakPolarHBondContact O-CD2 3.32Å
348L74.2Confident75.3Confident168 Ų16883.7 Ų83.788%0.8845%0.451SS*.SBendtrans-83-32.8169.4-68.6173.3000111
349V74.9Confident75.1Confident102 Ų10275.3 Ų75.362%0.61842%0.421SS*.SBendtrans-147.4144.4-178.2-176.50000108.1M351V349-M351 PolarHBondContact O-N 3.08Å
350P73.3Confident74.9Confident53 Ų5374.2 Ų74.234%0.34441%0.413SS..  trans-59.3120.1173.9-21.832.6000111.9C357 F375P350-C357 VanDerWaalsContact CA-SG 3.53Å; P350-C357 HydrophobicContact CB-CB 4.25Å; P350-F375 HydrophobicContact CB-CB 4.4Å; P350-F375 HydrophobicContact CB-CD1 4.37Å; P350-F375 HydrophobicContact CB-CG 4.29Å; P350-F375 HydrophobicContact CG-CB 4.08Å; P350-F375 HydrophobicContact CG-CD1 3.75Å; P350-F375 HydrophobicContact CG-CD2 3.69Å; P350-F375 HydrophobicContact CG-CE1 4.05Å; P350-F375 HydrophobicContact CG-CE2 4Å; P350-F375 HydrophobicContact CG-CG 3.55Å; P350-F375 HydrophobicContact CG-CZ 4.17Å
351M74.6Confident74.5Confident102 Ų10276 Ų7650%0.50242%0.422SS..  trans-88.6147.3176.9-65.6-154.6-68.300111.9V349 N353 E354V349-M351 PolarHBondContact O-N 3.08Å; M351-N353 VanDerWaalsContact C-N 3.26Å; M351-N353 PolarHBondContact O-N 3.07Å; M351-E354 HydrophobicContact CB-CB 4.34Å; M351-E354 HydrophobicContact CB-CG 4.06Å; M351-E354 HydrophobicContact CE-CG 4Å; M351-E354 WeakPolarHBondContact CE-OE1 3.43Å; M351-E354 PolarHBondContact O-N 3.48Å
352P72.3Confident74.1Confident126 Ų12675.1 Ų75.182%0.81842%0.416SS*.THydrogen-bonded Turntrans-59.2-31.4-175.1-24.433000115.1
353N75.8Confident74.3Confident166 Ų16677.8 Ų77.889%0.88844%0.436SS*.THydrogen-bonded Turntrans-97.9-0-175.4-65.1-9.2000113.2M351M351-N353 VanDerWaalsContact C-N 3.26Å; M351-N353 PolarHBondContact O-N 3.07Å
354E81.4Confident74.6Confident39 Ų3975 Ų7518%0.18242%0.415CS..  trans-97.3125.3178.5-70.5-174.5156.200110M351M351-E354 HydrophobicContact CB-CB 4.34Å; M351-E354 HydrophobicContact CB-CG 4.06Å; M351-E354 HydrophobicContact CE-CG 4Å; M351-E354 WeakPolarHBondContact CE-OE1 3.43Å; M351-E354 PolarHBondContact O-N 3.48Å
355K86.9Confident75.1Confident65 Ų6571.6 Ų71.628%0.28340%0.4SS..SBendtrans-65.4-43178.3179.657.7177.3-179.30111.9A377 N378 N383K355-A377 WeakPolarHBondContact CD-O 3.42Å; K355-A377 WeakPolarHBondContact CE-O 3.48Å; K355-A377 PolarHBondContact NZ-O 2.76Å; K355-A377 PolarHBondContact O-N 2.86Å; K355-N378 PolarHBondContact NZ-O 3.17Å; K355-N383 VanDerWaalsContact CE-OD1 3.31Å; K355-N383 WeakPolarHBondContact CE-OD1 3.35Å; K355-N383 PolarHBondContact NZ-OD1 3.49Å
356Y89.3Confident75.2Confident51 Ų5177.4 Ų77.420%0.242%0.418CS..EExtended strand (participates in β ladder)trans-124.3138.9-175.7-59.8-65.1000110.3I340 L374 F375 I376 Y387I340-Y356 HydrophobicContact CD1-CD1 4.35Å; I340-Y356 HydrophobicContact CD1-CE1 4.23Å; I340-Y356 HydrophobicContact CG2-CD1 4.09Å; I340-Y356 HydrophobicContact CG2-CD2 3.41Å; I340-Y356 VanDerWaalsContact CG2-CD2 3.41Å; I340-Y356 HydrophobicContact CG2-CE2 3.98Å; I340-Y356 HydrophobicContact CG2-CG 3.46Å; I340-Y356 VanDerWaalsContact CG2-CG 3.46Å; Y356-L374 HydrophobicContact CD1-CD1 4.18Å; Y356-F375 WeakPolarHBondContact CA-O 3.4Å; Y356-I376 HydrophobicContact CD1-CG1 3.99Å; Y356-I376 HydrophobicContact CD1-CG2 4.34Å; Y356-I376 HydrophobicContact CE1-CG1 4.04Å; Y356-I376 HydrophobicContact CE1-CG2 3.95Å; Y356-Y387 AromaticContact CE1-CE1 3.79Å; Y356-Y387 HydrophobicContact CE1-CE1 3.79Å
357C88.2Confident75.3Confident5 Ų575.5 Ų75.53%0.03441%0.406CS..EExtended strand (participates in β ladder)trans-137.5119.1173.5160.50000109C347 P350 F375C347-C357 HydrophobicContact CB-CB 3.99Å; C347-C357 WeakPolarHBondContact CB-SG 3.42Å; C347-C357 WeakPolarHBondContact SG-CA 3.27Å; C347-C357 WeakPolarHBondContact SG-CB 3.42Å; C347-C357 CovalentContact SG-SG 2.01Å; C347-C357 PolarHBondContact SG-SG 3.22Å; P350-C357 VanDerWaalsContact CA-SG 3.53Å; P350-C357 HydrophobicContact CB-CB 4.25Å; C357-F375 HydrophobicContact CB-CB 3.99Å; C357-F375 PolarHBondContact N-O 2.84Å; C357-F375 WeakPolarHBondContact O-CB 3.02Å; C357-F375 PolarHBondContact O-N 3.01Å
358I89.9Confident75.6Confident13 Ų1375.4 Ų75.47%0.06741%0.408CS..EExtended strand (participates in β ladder)trans-101.5116.8178.9-61.6160.2000108.4W333 S345 C347 V360 T373 L374W333-I358 HydrophobicContact CB-CD1 4.41Å; W333-I358 HydrophobicContact CG-CD1 4.44Å; S345-I358 VanDerWaalsContact O-CB 3.28Å; S345-I358 WeakPolarHBondContact O-CB 3.46Å; C347-I358 PolarHBondContact N-O 3.05Å; C347-I358 VanDerWaalsContact SG-C 3.58Å; C347-I358 PolarHBondContact SG-N 3.48Å; C347-I358 PolarHBondContact SG-O 3.26Å; I358-V360 HydrophobicContact CG2-CG2 4.16Å; I358-T373 CarbonylContact C-O 3.49Å; I358-T373 WeakPolarHBondContact CA-O 3.37Å; I358-L374 HydrophobicContact CD1-CD1 4.47Å; I358-L374 HydrophobicContact CG1-CD1 3.68Å
359L87.6Confident76.2Confident25 Ų2567.8 Ų67.813%0.13137%0.368CS..EExtended strand (participates in β ladder)trans-96141171.9-55.9178.9000109.2C347 T372 T373 F375C347-L359 WeakPolarHBondContact O-CD2 3.32Å; L359-T372 CarbonylContact O-C 3.38Å; L359-T372 WeakPolarHBondContact O-CA 3.43Å; L359-T372 PolarHBondContact O-OG1 3.35Å; L359-T372 VanDerWaalsContact O-OG1 3.07Å; L359-T373 PolarHBondContact N-O 3.48Å; L359-T373 PolarHBondContact O-N 3.49Å; L359-F375 HydrophobicContact CD1-CD2 3.97Å; L359-F375 HydrophobicContact CD1-CE2 3.7Å; L359-F375 HydrophobicContact CG-CD2 4.38Å
360V87Confident76.9Confident35 Ų3564 Ų6421%0.21234%0.344CS..EExtended strand (participates in β ladder)trans-133.3122.5176.6-169.40000109F331 I358 K362 I370 R371F331-V360 HydrophobicContact CE1-CG1 4.32Å; F331-V360 HydrophobicContact CZ-CB 4.49Å; F331-V360 HydrophobicContact CZ-CG1 3.98Å; F331-V360 HydrophobicContact CZ-CG2 3.66Å; I358-V360 HydrophobicContact CG2-CG2 4.16Å; V360-K362 PolarHBondContact O-N 3.14Å; V360-I370 HydrophobicContact CG1-CG2 3.83Å; V360-R371 WeakPolarHBondContact CA-O 3.2Å
361D81.4Confident77.7Confident52 Ų5262.9 Ų62.928%0.27833%0.333SS..  trans-7592.7173.8-177.78.1000110.3A363 N364 S365 R371D361-A363 VanDerWaalsContact C-N 3.32Å; D361-A363 PolarHBondContact OD1-N 3.38Å; D361-A363 VanDerWaalsContact OD1-N 3.13Å; D361-N364 PolarHBondContact OD2-ND2 2.83Å; D361-S365 PolarHBondContact O-OG 3.05Å; D361-R371 HydrophobicContact CB-CB 3.91Å; D361-R371 PolarHBondContact N-O 2.73Å; D361-R371 IonicContact OD2-NH1 3.76Å
362K67.4Low78.5Confident147 Ų14758 Ų5864%0.63931%0.309SS*.  trans-70.9-25.4178-67.4-177.4-179.3177.90113.2V360 N364 S365V360-K362 PolarHBondContact O-N 3.14Å; K362-N364 VanDerWaalsContact C-N 3.31Å; K362-N364 PolarHBondContact O-N 3.49Å; K362-S365 WeakPolarHBondContact CA-OG 3.35Å; K362-S365 PolarHBondContact O-N 3.41Å
363A63.3Low79.4Confident81 Ų8152 Ų5267%0.66927%0.27SS*.THydrogen-bonded Turntrans-66.5-35.6-172.700000112D361D361-A363 VanDerWaalsContact C-N 3.32Å; D361-A363 PolarHBondContact OD1-N 3.38Å; D361-A363 VanDerWaalsContact OD1-N 3.13Å
364N55.8Low80.2Confident65 Ų6544.1 Ų44.135%0.34823%0.227SC..THydrogen-bonded Turntrans-99.60.8179.4-75.9-34.2000114.8D361 K362 K366 H367 R371D361-N364 PolarHBondContact OD2-ND2 2.83Å; K362-N364 VanDerWaalsContact C-N 3.31Å; K362-N364 PolarHBondContact O-N 3.49Å; N364-K366 PolarHBondContact O-N 2.78Å; N364-H367 PolarHBondContact O-N 2.97Å; N364-R371 VanDerWaalsContact CG-NH1 3.31Å; N364-R371 PolarHBondContact ND2-NH1 3.07Å
365S56.6Low80.7Confident43 Ų4344.4 Ų44.430%0.30123%0.228SC..G310 helixtrans-62.4-16.8-180-630000113.7D361 K362 H367 G368 I369D361-S365 PolarHBondContact O-OG 3.05Å; K362-S365 WeakPolarHBondContact CA-OG 3.35Å; K362-S365 PolarHBondContact O-N 3.41Å; S365-H367 PolarHBondContact O-N 2.95Å; S365-H367 VanDerWaalsContact O-N 3.15Å; S365-G368 PolarHBondContact O-N 2.82Å; S365-I369 WeakPolarHBondContact CA-O 3.33Å
366K58.3Low81Confident180 Ų18041.3 Ų41.378%0.78322%0.215SC*.G310 helixtrans-62.7-17.6179.7-75.8-173.9176.4-178.50114.1N364N364-K366 PolarHBondContact O-N 2.78Å
367H69Low80.9Confident52 Ų5240.1 Ų40.124%0.24122%0.215CC..G310 helixtrans-978.5-175.2-52.7127.4000114.4E242 N364 S365 I369E242-H367 WeakPolarHBondContact OE1-CB 3.37Å; E242-H367 IonicContact OE1-CD2 3.92Å; E242-H367 IonicContact OE1-CE1 3.75Å; E242-H367 PolarHBondContact OE1-CE1 3.41Å; E242-H367 IonicContact OE1-CG 2.7Å; E242-H367 IonicContact OE1-ND1 3.31Å; E242-H367 PolarHBondContact OE1-ND1 3.46Å; N364-H367 PolarHBondContact O-N 2.97Å; S365-H367 PolarHBondContact O-N 2.95Å; S365-H367 VanDerWaalsContact O-N 3.15Å; H367-I369 VanDerWaalsContact C-N 3.26Å
368G80Confident80.9Confident14 Ų1444.4 Ų44.414%0.14424%0.238CC..THydrogen-bonded Turntrans78.113.4-172.700000112.9A324 G325 S365A324-G368 CarbonylContact C-O 3.55Å; A324-G368 VanDerWaalsContact CA-O 3.32Å; A324-G368 WeakPolarHBondContact CA-O 3.41Å; G325-G368 PolarHBondContact N-O 2.76Å; S365-G368 PolarHBondContact O-N 2.82Å
369I87.7Confident81Confident8 Ų843.8 Ų43.84%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-114.9121.6177.6-58.1174.3000109V322 I323 A324 S365 H367 T446V322-I369 HydrophobicContact CG1-CG2 3.68Å; I323-I369 CarbonylContact O-C 3.51Å; I323-I369 VanDerWaalsContact O-CA 3.27Å; I323-I369 WeakPolarHBondContact O-CA 3.4Å; A324-I369 HydrophobicContact CB-CG1 4.19Å; S365-I369 WeakPolarHBondContact CA-O 3.33Å; H367-I369 VanDerWaalsContact C-N 3.26Å; I369-T446 HydrophobicContact CD1-CG2 3.45Å; I369-T446 VanDerWaalsContact CD1-CG2 3.45Å
370I89.4Confident81.2Confident22 Ų2245.5 Ų45.511%0.11325%0.246CC..EExtended strand (participates in β ladder)trans-110.8123.6175.1-58.2176.4000108.1V322 I323 I328 F331 V360V322-I370 WeakPolarHBondContact CA-O 3.22Å; I323-I370 HydrophobicContact CB-CB 4.27Å; I323-I370 HydrophobicContact CD1-CB 4.37Å; I323-I370 HydrophobicContact CD1-CG2 4.38Å; I323-I370 PolarHBondContact N-O 2.86Å; I323-I370 PolarHBondContact O-N 2.9Å; I328-I370 HydrophobicContact CB-CD1 4.42Å; I328-I370 HydrophobicContact CD1-CD1 3.75Å; I328-I370 HydrophobicContact CD1-CG1 4.15Å; I328-I370 HydrophobicContact CG2-CD1 4Å; F331-I370 HydrophobicContact CD1-CD1 3.99Å; F331-I370 HydrophobicContact CD1-CG2 4.33Å; F331-I370 HydrophobicContact CE1-CD1 4.15Å; F331-I370 HydrophobicContact CE1-CG2 3.77Å; F331-I370 HydrophobicContact CZ-CG2 3.88Å; V360-I370 HydrophobicContact CG1-CG2 3.83Å
371R90.3Very high81.5Confident29 Ų2948.4 Ų48.411%0.10926%0.259CS..EExtended strand (participates in β ladder)trans-102.6122.6171.9-65.4178.3-175.7100.21.7108.7V322 V360 D361 N364 Y438 S442V322-R371 HydrophobicContact CG1-CG 4.31Å; V322-R371 HydrophobicContact CG2-CG 4.26Å; V360-R371 WeakPolarHBondContact CA-O 3.2Å; D361-R371 HydrophobicContact CB-CB 3.91Å; D361-R371 PolarHBondContact N-O 2.73Å; D361-R371 IonicContact OD2-NH1 3.76Å; N364-R371 VanDerWaalsContact CG-NH1 3.31Å; N364-R371 PolarHBondContact ND2-NH1 3.07Å; R371-Y438 HydrophobicContact CB-CD1 3.79Å; R371-Y438 HydrophobicContact CB-CE1 3.47Å; R371-Y438 VanDerWaalsContact CB-CE1 3.47Å; R371-Y438 VanDerWaalsContact CD-CD1 3.42Å; R371-Y438 HydrophobicContact CG-CD1 3.62Å; R371-Y438 HydrophobicContact CG-CE1 3.85Å; R371-Y438 HydrophobicContact CG-CG 4.36Å; R371-S442 VanDerWaalsContact CZ-OG 3.29Å; R371-S442 PolarHBondContact NE-OG 2.71Å; R371-S442 VanDerWaalsContact NH2-CB 3.33Å; R371-S442 PolarHBondContact NH2-OG 3.37Å
372T91.1Very high82Confident0 Ų049.5 Ų49.50%028%0.275CS..EExtended strand (participates in β ladder)trans-130.8139.4-179-179.20000112.4R320 A321 I323 F331 W333 L359 Y438R320-T372 WeakPolarHBondContact CA-O 2.86Å; A321-T372 HydrophobicContact CB-CG2 4.03Å; A321-T372 PolarHBondContact N-O 2.87Å; A321-T372 PolarHBondContact O-N 2.85Å; I323-T372 HydrophobicContact CD1-CG2 4.25Å; F331-T372 HydrophobicContact CD2-CG2 4.38Å; F331-T372 HydrophobicContact CE2-CG2 3.87Å; W333-T372 HydrophobicContact CZ2-CG2 3.77Å; W333-T372 PolarHBondContact NE1-OG1 3.24Å; W333-T372 VanDerWaalsContact NE1-OG1 3.14Å; L359-T372 CarbonylContact O-C 3.38Å; L359-T372 WeakPolarHBondContact O-CA 3.43Å; L359-T372 PolarHBondContact O-OG1 3.35Å; L359-T372 VanDerWaalsContact O-OG1 3.07Å; T372-Y438 PolarHBondContact O-OH 3.17Å
373T91.6Very high83.1Confident0 Ų043.3 Ų43.30%025%0.249CC..EExtended strand (participates in β ladder)trans-120.3123.9173.6-50.10000109.1M318 V319 R320 I358 L359 F375 Y438M318-T373 HydrophobicContact CB-CG2 3.7Å; M318-T373 HydrophobicContact CG-CG2 4.21Å; M318-T373 HydrophobicContact SD-CG2 4.06Å; V319-T373 CarbonylContact O-C 3.51Å; V319-T373 WeakPolarHBondContact O-CA 3.32Å; R320-T373 HydrophobicContact CG-CG2 3.86Å; I358-T373 CarbonylContact C-O 3.49Å; I358-T373 WeakPolarHBondContact CA-O 3.37Å; L359-T373 PolarHBondContact N-O 3.48Å; L359-T373 PolarHBondContact O-N 3.49Å; T373-F375 HydrophobicContact CG2-CD2 3.78Å; T373-F375 HydrophobicContact CG2-CE2 3.7Å; T373-Y438 PolarHBondContact OG1-OH 3.21Å
374L92.9Very high84.6Confident0 Ų041.2 Ų41.20%022%0.224CC..EExtended strand (participates in β ladder)trans-95.5109166.717467.7000109.5M318 V319 W333 I340 Y356 I358 I376 Y387M318-L374 CarbonylContact C-O 3.55Å; M318-L374 VanDerWaalsContact CA-O 3.22Å; M318-L374 WeakPolarHBondContact CA-O 3.37Å; V319-L374 HydrophobicContact CB-CB 4.37Å; V319-L374 PolarHBondContact N-O 3.38Å; V319-L374 PolarHBondContact O-N 2.84Å; W333-L374 HydrophobicContact CB-CD2 4.21Å; W333-L374 HydrophobicContact CD2-CB 3.86Å; W333-L374 HydrophobicContact CD2-CD2 4Å; W333-L374 HydrophobicContact CD2-CG 4.46Å; W333-L374 HydrophobicContact CE3-CB 4.28Å; W333-L374 HydrophobicContact CE3-CD2 3.92Å; W333-L374 HydrophobicContact CG-CB 4.19Å; W333-L374 HydrophobicContact CG-CD1 4.47Å; W333-L374 HydrophobicContact CG-CD2 4.15Å; W333-L374 HydrophobicContact CH2-CB 4.49Å; W333-L374 HydrophobicContact CZ2-CB 4.1Å; I340-L374 HydrophobicContact CD1-CD1 4.29Å; I340-L374 HydrophobicContact CD1-CD2 3.67Å; Y356-L374 HydrophobicContact CD1-CD1 4.18Å; I358-L374 HydrophobicContact CD1-CD1 4.47Å; I358-L374 HydrophobicContact CG1-CD1 3.68Å; L374-I376 HydrophobicContact CD2-CD1 4.25Å; L374-I376 HydrophobicContact CD2-CG1 4.28Å; L374-I376 HydrophobicContact CG-CD1 4.44Å; L374-I376 HydrophobicContact CG-CG1 4.07Å; L374-Y387 HydrophobicContact CD2-CD1 3.47Å; L374-Y387 VanDerWaalsContact CD2-CD1 3.47Å; L374-Y387 HydrophobicContact CD2-CE1 4.13Å; L374-Y387 HydrophobicContact CD2-CG 4.25Å
375F91.5Very high86.5Confident46 Ų4638.6 Ų38.620%0.20221%0.212CC..EExtended strand (participates in β ladder)trans-82137.6168.4-90.5-89.1000111.2T316 M318 P350 Y356 C357 L359 T373T316-F375 HydrophobicContact CG2-CD1 4.38Å; M318-F375 HydrophobicContact CB-CD1 4.09Å; M318-F375 HydrophobicContact CB-CD2 4.32Å; M318-F375 HydrophobicContact CB-CE1 4.05Å; M318-F375 HydrophobicContact CB-CE2 4.27Å; M318-F375 HydrophobicContact CB-CG 4.24Å; M318-F375 HydrophobicContact CB-CZ 4.14Å; M318-F375 HydrophobicContact CG-CZ 4.49Å; M318-F375 HydrophobicContact SD-CE1 4.19Å; M318-F375 HydrophobicContact SD-CE2 4.1Å; M318-F375 HydrophobicContact SD-CZ 3.63Å; P350-F375 HydrophobicContact CB-CB 4.4Å; P350-F375 HydrophobicContact CB-CD1 4.37Å; P350-F375 HydrophobicContact CB-CG 4.29Å; P350-F375 HydrophobicContact CG-CB 4.08Å; P350-F375 HydrophobicContact CG-CD1 3.75Å; P350-F375 HydrophobicContact CG-CD2 3.69Å; P350-F375 HydrophobicContact CG-CE1 4.05Å; P350-F375 HydrophobicContact CG-CE2 4Å; P350-F375 HydrophobicContact CG-CG 3.55Å; P350-F375 HydrophobicContact CG-CZ 4.17Å; Y356-F375 WeakPolarHBondContact CA-O 3.4Å; C357-F375 HydrophobicContact CB-CB 3.99Å; C357-F375 PolarHBondContact N-O 2.84Å; C357-F375 WeakPolarHBondContact O-CB 3.02Å; C357-F375 PolarHBondContact O-N 3.01Å; L359-F375 HydrophobicContact CD1-CD2 3.97Å; L359-F375 HydrophobicContact CD1-CE2 3.7Å; L359-F375 HydrophobicContact CG-CD2 4.38Å; T373-F375 HydrophobicContact CG2-CD2 3.78Å; T373-F375 HydrophobicContact CG2-CE2 3.7Å
376I91.9Very high88.4Confident0 Ų040.4 Ų40.40%022%0.216CC..EExtended strand (participates in β ladder)trans-130.4107.7179.7-53.2156.3000107.7T316 T317 V319 Y356 L374 L379 Y387 I404T316-I376 WeakPolarHBondContact CA-O 3.37Å; T317-I376 HydrophobicContact CG2-CB 4.21Å; T317-I376 HydrophobicContact CG2-CD1 4.18Å; T317-I376 PolarHBondContact N-O 2.76Å; T317-I376 PolarHBondContact O-N 2.88Å; V319-I376 HydrophobicContact CG2-CD1 4.1Å; Y356-I376 HydrophobicContact CD1-CG1 3.99Å; Y356-I376 HydrophobicContact CD1-CG2 4.34Å; Y356-I376 HydrophobicContact CE1-CG1 4.04Å; Y356-I376 HydrophobicContact CE1-CG2 3.95Å; L374-I376 HydrophobicContact CD2-CD1 4.25Å; L374-I376 HydrophobicContact CD2-CG1 4.28Å; L374-I376 HydrophobicContact CG-CD1 4.44Å; L374-I376 HydrophobicContact CG-CG1 4.07Å; I376-L379 HydrophobicContact CB-CD2 4.48Å; I376-L379 HydrophobicContact CG2-CD2 3.61Å; I376-L379 HydrophobicContact CG2-CG 4.49Å; I376-Y387 HydrophobicContact CD1-CD1 3.83Å; I376-Y387 HydrophobicContact CD1-CD2 4.04Å; I376-Y387 HydrophobicContact CD1-CE1 3.54Å; I376-Y387 HydrophobicContact CD1-CE2 3.74Å; I376-Y387 HydrophobicContact CD1-CG 4.05Å; I376-Y387 VanDerWaalsContact CD1-CZ 3.47Å; I376-Y387 HydrophobicContact CG1-CE1 4.08Å; I376-I404 HydrophobicContact CD1-CD1 3.34Å
377A89Confident90.2Very high25 Ų2531.9 Ų31.921%0.20718%0.178CC..  trans-87.3150.7-17800000112K355K355-A377 WeakPolarHBondContact CD-O 3.42Å; K355-A377 WeakPolarHBondContact CE-O 3.48Å; K355-A377 PolarHBondContact NZ-O 2.76Å; K355-A377 PolarHBondContact O-N 2.86Å
378N88.3Confident91.6Very high95 Ų9529.7 Ų29.751%0.50817%0.169SC..SBendtrans44.971.3170.5-173.114.3000113.8G315 T316 K355 T380G315-N378 PolarHBondContact O-N 2.85Å; T316-N378 PolarHBondContact OG1-N 2.64Å; K355-N378 PolarHBondContact NZ-O 3.17Å; N378-T380 PolarHBondContact O-N 3.43Å
379L91.1Very high92.3Very high0 Ų029 Ų290%016%0.162CC..  trans-63.4131.9-178.2-72.8166.8000112.4Q311 L313 K314 G315 T317 I376 N383Q311-L379 HydrophobicContact CB-CD1 3.75Å; Q311-L379 HydrophobicContact CG-CD1 3.18Å; L313-L379 WeakPolarHBondContact CD1-O 3.43Å; K314-L379 WeakPolarHBondContact CA-O 3.16Å; K314-L379 PolarHBondContact N-O 2.65Å; G315-L379 WeakPolarHBondContact O-CB 3.25Å; G315-L379 VanDerWaalsContact O-CG 3.32Å; G315-L379 WeakPolarHBondContact O-CG 3.26Å; G315-L379 PolarHBondContact O-N 2.88Å; T317-L379 HydrophobicContact CG2-CD1 3.89Å; T317-L379 HydrophobicContact CG2-CD2 4.49Å; I376-L379 HydrophobicContact CB-CD2 4.48Å; I376-L379 HydrophobicContact CG2-CD2 3.61Å; I376-L379 HydrophobicContact CG2-CG 4.49Å; L379-N383 HydrophobicContact CD2-CB 3.78Å
380T92.3Very high92.7Very high61 Ų6128.7 Ų28.737%0.37416%0.16SC..  trans-115.3171.617270.20000109.9N378 A382 N383 Y384N378-T380 PolarHBondContact O-N 3.43Å; T380-A382 PolarHBondContact O-N 3.5Å; T380-A382 VanDerWaalsContact O-N 3.15Å; T380-A382 PolarHBondContact OG1-N 3.19Å; T380-N383 PolarHBondContact N-OD1 2.8Å; T380-N383 PolarHBondContact O-N 3.08Å; T380-N383 PolarHBondContact OG1-OD1 3.22Å; T380-Y384 WeakPolarHBondContact O-CD2 3.37Å
381M92.3Very high92.9Very high97 Ų9727.6 Ų27.648%0.47816%0.155SC..G310 helixtrans-56.3-32.6177.2-65.2-55.8161.300112.9L313 N383 Y384L313-M381 HydrophobicContact CD1-CE 3.53Å; L313-M381 HydrophobicContact CD1-CG 4.49Å; L313-M381 HydrophobicContact CD1-SD 4.18Å; L313-M381 HydrophobicContact CD2-CE 3.76Å; L313-M381 HydrophobicContact CG-CE 4.16Å; M381-N383 PolarHBondContact O-N 3.18Å; M381-Y384 HydrophobicContact SD-CD2 4.3Å; M381-Y384 HydrophobicContact SD-CE2 4.08Å
382A91.5Very high93.1Very high74 Ų7429.2 Ų29.261%0.61216%0.164SC*.G310 helixtrans-76.8-0.7179.500000114.1F335 T380F335-A382 WeakPolarHBondContact CE1-O 3.43Å; F335-A382 VanDerWaalsContact CZ-O 3.29Å; F335-A382 WeakPolarHBondContact CZ-O 3.42Å; T380-A382 PolarHBondContact O-N 3.5Å; T380-A382 VanDerWaalsContact O-N 3.15Å; T380-A382 PolarHBondContact OG1-N 3.19Å
383N92.3Very high93.3Very high18 Ų1829.7 Ų29.710%0.09617%0.167CC..G310 helixtrans-110.1-4.4-179.6-51.1132.8000113.5K355 L379 T380 M381 Y387K355-N383 VanDerWaalsContact CE-OD1 3.31Å; K355-N383 WeakPolarHBondContact CE-OD1 3.35Å; K355-N383 PolarHBondContact NZ-OD1 3.49Å; L379-N383 HydrophobicContact CD2-CB 3.78Å; T380-N383 PolarHBondContact N-OD1 2.8Å; T380-N383 PolarHBondContact O-N 3.08Å; T380-N383 PolarHBondContact OG1-OD1 3.22Å; M381-N383 PolarHBondContact O-N 3.18Å; N383-Y387 VanDerWaalsContact O-CE2 3.31Å; N383-Y387 WeakPolarHBondContact O-CE2 3.26Å; N383-Y387 PolarHBondContact O-OH 3.4Å; N383-Y387 VanDerWaalsContact O-OH 3.06Å
384Y94.6Very high93.4Very high37 Ų3733.7 Ų33.715%0.14519%0.193CC..  trans-77.1135.3169.2-64.5-71.1000108.9Q311 L312 L313 T380 M381 I404 F405 R406Q311-Y384 WeakPolarHBondContact O-CE1 3.5Å; Q311-Y384 PolarHBondContact O-OH 3.09Å; L312-Y384 VanDerWaalsContact C-OH 3.23Å; L312-Y384 PolarHBondContact O-OH 3.3Å; L313-Y384 WeakPolarHBondContact CA-OH 3.42Å; L313-Y384 HydrophobicContact CD1-CE2 4.22Å; L313-Y384 PolarHBondContact N-OH 2.96Å; L313-Y384 VanDerWaalsContact N-OH 3.15Å; T380-Y384 WeakPolarHBondContact O-CD2 3.37Å; M381-Y384 HydrophobicContact SD-CD2 4.3Å; M381-Y384 HydrophobicContact SD-CE2 4.08Å; Y384-I404 CarbonylContact C-O 3.54Å; Y384-I404 WeakPolarHBondContact CA-O 3.34Å; Y384-I404 WeakPolarHBondContact CB-O 3.45Å; Y384-I404 HydrophobicContact CD1-CG2 4.03Å; Y384-I404 HydrophobicContact CE1-CG2 4.35Å; Y384-F405 VanDerWaalsContact CD1-C 3.41Å; Y384-R406 HydrophobicContact CD1-CB 4.19Å; Y384-R406 HydrophobicContact CD2-CB 4.21Å; Y384-R406 VanDerWaalsContact CE1-CA 3.47Å; Y384-R406 HydrophobicContact CE1-CB 3.86Å; Y384-R406 HydrophobicContact CE1-CG 4.5Å; Y384-R406 HydrophobicContact CE2-CB 3.89Å; Y384-R406 HydrophobicContact CE2-CG 4.16Å; Y384-R406 HydrophobicContact CG-CB 4.34Å
385G95Very high93.5Very high10 Ų1037.4 Ų37.410%0.10321%0.209CC..EExtended strand (participates in β ladder)trans150.9-164.6-17300000113E336 I404E336-G385 WeakPolarHBondContact OE1-CA 3.29Å; G385-I404 PolarHBondContact N-O 2.97Å; G385-I404 PolarHBondContact O-N 3.4Å
386H96.9Very high93.7Very high81 Ų8136.8 Ų36.838%0.37522%0.215SC..EExtended strand (participates in β ladder)trans-92117.1-173.8-61.181000111.6E336E336-H386 PolarHBondContact N-O 3.06Å; E336-H386 IonicContact OE1-CG 3.43Å; E336-H386 PolarHBondContact OE1-N 3.48Å; E336-H386 IonicContact OE1-ND1 3.11Å; E336-H386 PolarHBondContact OE1-ND1 3.1Å; E336-H386 VanDerWaalsContact OE1-ND1 3.11Å
387Y96.3Very high93.9Very high0 Ų041 Ų410%024%0.241CC..EExtended strand (participates in β ladder)trans-99.5115171-72.7-87.9000109.2V319 E334 F335 I340 Y356 L374 I376 N383 S401 T402 I404V319-Y387 HydrophobicContact CG2-CG 4.44Å; E334-Y387 CarbonylContact O-C 3.54Å; E334-Y387 WeakPolarHBondContact O-CA 3.36Å; F335-Y387 HydrophobicContact CB-CD1 4.16Å; F335-Y387 HydrophobicContact CB-CE1 3.88Å; F335-Y387 AromaticContact CD2-CD1 3.96Å; F335-Y387 HydrophobicContact CD2-CD1 3.96Å; F335-Y387 HydrophobicContact CD2-CD2 4Å; F335-Y387 AromaticContact CD2-CE1 3.51Å; F335-Y387 HydrophobicContact CD2-CE1 3.51Å; F335-Y387 AromaticContact CD2-CE2 3.57Å; F335-Y387 HydrophobicContact CD2-CE2 3.57Å; F335-Y387 HydrophobicContact CD2-CG 4.21Å; F335-Y387 AromaticContact CD2-CZ 3.31Å; F335-Y387 HydrophobicContact CE2-CD2 4.37Å; F335-Y387 HydrophobicContact CE2-CE1 4.34Å; F335-Y387 AromaticContact CE2-CE2 3.69Å; F335-Y387 HydrophobicContact CE2-CE2 3.69Å; F335-Y387 AromaticContact CE2-CZ 3.68Å; F335-Y387 HydrophobicContact CG-CD1 4.47Å; F335-Y387 AromaticContact CG-CE1 3.92Å; F335-Y387 HydrophobicContact CG-CE1 3.92Å; I340-Y387 HydrophobicContact CD1-CD1 3.8Å; I340-Y387 HydrophobicContact CD1-CE1 3.9Å; Y356-Y387 AromaticContact CE1-CE1 3.79Å; Y356-Y387 HydrophobicContact CE1-CE1 3.79Å; L374-Y387 HydrophobicContact CD2-CD1 3.47Å; L374-Y387 VanDerWaalsContact CD2-CD1 3.47Å; L374-Y387 HydrophobicContact CD2-CE1 4.13Å; L374-Y387 HydrophobicContact CD2-CG 4.25Å; I376-Y387 HydrophobicContact CD1-CD1 3.83Å; I376-Y387 HydrophobicContact CD1-CD2 4.04Å; I376-Y387 HydrophobicContact CD1-CE1 3.54Å; I376-Y387 HydrophobicContact CD1-CE2 3.74Å; I376-Y387 HydrophobicContact CD1-CG 4.05Å; I376-Y387 VanDerWaalsContact CD1-CZ 3.47Å; I376-Y387 HydrophobicContact CG1-CE1 4.08Å; N383-Y387 VanDerWaalsContact O-CE2 3.31Å; N383-Y387 WeakPolarHBondContact O-CE2 3.26Å; N383-Y387 PolarHBondContact O-OH 3.4Å; N383-Y387 VanDerWaalsContact O-OH 3.06Å; Y387-S401 CarbonylContact O-C 3.54Å; Y387-S401 VanDerWaalsContact O-CA 3.27Å; Y387-S401 WeakPolarHBondContact O-CA 3.12Å; Y387-T402 PolarHBondContact N-O 3.21Å; Y387-T402 PolarHBondContact O-N 3.43Å; Y387-I404 HydrophobicContact CD2-CB 4.25Å; Y387-I404 HydrophobicContact CD2-CD1 3.4Å; Y387-I404 HydrophobicContact CD2-CG1 3.66Å; Y387-I404 HydrophobicContact CE2-CB 4.22Å; Y387-I404 HydrophobicContact CE2-CD1 3.47Å; Y387-I404 VanDerWaalsContact CE2-CD1 3.47Å; Y387-I404 HydrophobicContact CE2-CG1 3.98Å; Y387-I404 HydrophobicContact CG-CD1 4.24Å
388T96.8Very high94.3Very high7 Ų743.2 Ų43.24%0.04325%0.246CC..EExtended strand (participates in β ladder)trans-113.3128.6-170.2-53.80000110.8W333 E334 V390 R399 N400 S401W333-T388 CarbonylContact C-O 3.45Å; W333-T388 WeakPolarHBondContact CA-O 3.43Å; E334-T388 PolarHBondContact N-O 3.07Å; E334-T388 PolarHBondContact O-N 3.28Å; T388-V390 HydrophobicContact CG2-CG2 3.99Å; T388-R399 HydrophobicContact CG2-CB 3.72Å; T388-N400 CarbonylContact C-O 3.49Å; T388-N400 WeakPolarHBondContact CA-O 3.39Å; T388-N400 WeakPolarHBondContact CG2-O 3.25Å; T388-S401 WeakPolarHBondContact CB-OG 3.19Å; T388-S401 VanDerWaalsContact CG2-OG 3.29Å; T388-S401 WeakPolarHBondContact CG2-OG 3.43Å; T388-S401 PolarHBondContact OG1-OG 2.89Å
389C96.1Very high94.7Very high0 Ų044.8 Ų44.80%025%0.245CC..EExtended strand (participates in β ladder)trans-87.7125.4167-175.60000108.5I302 M304 A321 W333 R399 N400I302-C389 HydrophobicContact CG2-CB 4.08Å; M304-C389 HydrophobicContact SD-CB 4.24Å; A321-C389 HydrophobicContact CB-CB 4.23Å; W333-C389 HydrophobicContact CD2-CB 4.37Å; W333-C389 HydrophobicContact CE3-CB 4.03Å; W333-C389 HydrophobicContact CH2-CB 3.96Å; W333-C389 HydrophobicContact CZ2-CB 4.3Å; W333-C389 HydrophobicContact CZ3-CB 3.81Å; C389-R399 VanDerWaalsContact O-CA 3.28Å; C389-R399 WeakPolarHBondContact O-CA 3.28Å; C389-N400 PolarHBondContact N-O 3.38Å; C389-N400 PolarHBondContact O-N 3.06Å; C389-N400 VanDerWaalsContact O-N 3.13Å
390V95.6Very high95Very high0 Ų047.4 Ų47.40%026%0.259CS..EExtended strand (participates in β ladder)trans-116.7132.5-178.9-174.20000109.2F331 Y332 E334 T388 T397 F398 R399F331-V390 CarbonylContact C-O 3.57Å; F331-V390 WeakPolarHBondContact CA-O 3.36Å; F331-V390 WeakPolarHBondContact CB-O 3.46Å; Y332-V390 HydrophobicContact CD1-CB 4.48Å; Y332-V390 HydrophobicContact CD2-CB 4.21Å; Y332-V390 HydrophobicContact CE1-CB 4.14Å; Y332-V390 HydrophobicContact CE1-CG1 3.98Å; Y332-V390 HydrophobicContact CE2-CB 3.83Å; Y332-V390 HydrophobicContact CE2-CG1 4.14Å; Y332-V390 HydrophobicContact CE2-CG2 4.09Å; Y332-V390 PolarHBondContact N-O 2.66Å; Y332-V390 PolarHBondContact O-N 3.03Å; E334-V390 VanDerWaalsContact CD-CG2 3.49Å; E334-V390 HydrophobicContact CG-CG2 3.89Å; T388-V390 HydrophobicContact CG2-CG2 3.99Å; V390-T397 HydrophobicContact CG1-CG2 3.56Å; V390-F398 WeakPolarHBondContact CA-O 3.39Å; V390-R399 HydrophobicContact CG2-CB 4.3Å
391V94.6Very high95.3Very high0 Ų046.2 Ų46.20%025%0.253CS..EExtended strand (participates in β ladder)trans-128.8128.2-177.3-175.20000109.3P300 I302 I323 I328 F331 T393 T397 F398P300-V391 HydrophobicContact CB-CG1 3.94Å; P300-V391 HydrophobicContact CG-CB 4.47Å; P300-V391 HydrophobicContact CG-CG1 4.07Å; I302-V391 HydrophobicContact CD1-CB 4.06Å; I302-V391 HydrophobicContact CD1-CG2 3.54Å; I302-V391 HydrophobicContact CG1-CG2 3.8Å; I323-V391 HydrophobicContact CD1-CG2 3.77Å; I323-V391 HydrophobicContact CG1-CG2 3.97Å; I323-V391 HydrophobicContact CG2-CG1 4.11Å; I323-V391 HydrophobicContact CG2-CG2 3.75Å; I328-V391 HydrophobicContact CG2-CG1 3.94Å; F331-V391 HydrophobicContact CB-CG2 3.99Å; V391-T393 HydrophobicContact CG1-CG2 4.02Å; V391-T397 WeakPolarHBondContact O-CA 3.47Å; V391-F398 PolarHBondContact N-O 3.19Å; V391-F398 PolarHBondContact O-N 2.74Å
392E93.5Very high95.5Very high63 Ų6341.7 Ų41.729%0.29423%0.231SC..EExtended strand (participates in β ladder)trans-109.8131.2177.8-61.8178.8-170.100110.5N329 L330 Y332 T397N329-E392 WeakPolarHBondContact CB-O 3.31Å; N329-E392 PolarHBondContact N-O 2.78Å; L330-E392 HydrophobicContact CD1-CB 4.09Å; L330-E392 HydrophobicContact CD1-CG 3.93Å; L330-E392 HydrophobicContact CG-CB 4.03Å; L330-E392 HydrophobicContact CG-CG 4.38Å; L330-E392 PolarHBondContact N-O 2.75Å; L330-E392 PolarHBondContact O-N 3.05Å; Y332-E392 HydrophobicContact CE1-CG 4.48Å; Y332-E392 WeakPolarHBondContact CE1-OE1 3.28Å; Y332-E392 PolarHBondContact OH-OE1 2.9Å; E392-T397 HydrophobicContact CG-CG2 4.08Å
393T94.3Very high95.7Very high10 Ų1040.6 Ų40.66%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-141.7167.3-177.768.50000110.1P300 P327 V391 F395 G396P300-T393 HydrophobicContact CB-CG2 4.14Å; P300-T393 HydrophobicContact CG-CG2 3.58Å; P327-T393 WeakPolarHBondContact O-CG2 3.35Å; V391-T393 HydrophobicContact CG1-CG2 4.02Å; T393-F395 PolarHBondContact O-N 2.02Å; T393-F395 PolarHBondContact OG1-N 2.84Å; T393-G396 PolarHBondContact N-O 3.42Å; T393-G396 PolarHBondContact O-N 2.88Å; T393-G396 PolarHBondContact OG1-O 2.62Å; T393-G396 VanDerWaalsContact OG1-O 3.07Å
394P94.5Very high95.9Very high84 Ų8439.8 Ų39.855%0.54521%0.209SC..THydrogen-bonded Turntrans-58.3-15.5170.4-2536.3000114.3P327P327-P394 HydrophobicContact CG-CG 3.75Å
395F94.2Very high95.9Very high78 Ų7841.8 Ų41.834%0.34222%0.219SC..THydrogen-bonded Turntrans-89.5-2.1176.7-54.8-74.9000113.5H215 R297 P299 T393 F398H215-F395 AromaticContact ND1-CE1 3.77Å; H215-F395 AromaticContact ND1-CZ 3.83Å; R297-F395 HydrophobicContact CB-CE2 4.49Å; R297-F395 HydrophobicContact CB-CZ 3.99Å; P299-F395 HydrophobicContact CB-CB 4.23Å; P299-F395 HydrophobicContact CB-CD2 4.45Å; P299-F395 HydrophobicContact CB-CG 4.35Å; T393-F395 PolarHBondContact O-N 2.02Å; T393-F395 PolarHBondContact OG1-N 2.84Å; F395-F398 HydrophobicContact CB-CE2 4.29Å
396G95.9Very high95.8Very high33 Ų3345.9 Ų45.934%0.3423%0.231SC..EExtended strand (participates in β ladder)trans116.1-168.7-177.100000113.4T393T393-G396 PolarHBondContact N-O 3.42Å; T393-G396 PolarHBondContact O-N 2.88Å; T393-G396 PolarHBondContact OG1-O 2.62Å; T393-G396 VanDerWaalsContact OG1-O 3.07Å
397T96.4Very high95.4Very high88 Ų8844.1 Ų44.154%0.5423%0.226SC..EExtended strand (participates in β ladder)trans-105.5127.5-177.4-53.10000110.5V390 V391 E392V390-T397 HydrophobicContact CG1-CG2 3.56Å; V391-T397 WeakPolarHBondContact O-CA 3.47Å; E392-T397 HydrophobicContact CG-CG2 4.08Å
398F97.4Very high95Very high71 Ų7152 Ų5231%0.31126%0.257SS..EExtended strand (participates in β ladder)trans-117.6145.1-178.5-64.6-101.7000109.3P299 P300 I302 V390 V391 F395P299-F398 HydrophobicContact CB-CE1 4.36Å; P299-F398 HydrophobicContact CB-CE2 4.39Å; P299-F398 HydrophobicContact CB-CZ 3.83Å; P300-F398 HydrophobicContact CG-CB 3.97Å; P300-F398 HydrophobicContact CG-CD1 4.39Å; P300-F398 HydrophobicContact CG-CD2 3.28Å; P300-F398 HydrophobicContact CG-CE2 3.82Å; P300-F398 HydrophobicContact CG-CG 3.62Å; I302-F398 HydrophobicContact CD1-CB 3.93Å; I302-F398 WeakPolarHBondContact CD1-O 3.42Å; V390-F398 WeakPolarHBondContact CA-O 3.39Å; V391-F398 PolarHBondContact N-O 3.19Å; V391-F398 PolarHBondContact O-N 2.74Å; F395-F398 HydrophobicContact CB-CE2 4.29Å
399R97.1Very high94.2Very high129 Ų12956.2 Ų56.249%0.48729%0.287SS..EExtended strand (participates in β ladder)trans-143.2144.5-179.553.7174.854.1-117.9-5.8112.3E334 T388 C389 V390E334-R399 IonicContact OE1-NH2 2.99Å; E334-R399 PolarHBondContact OE1-NH2 2.78Å; E334-R399 IonicContact OE2-CZ 2.67Å; E334-R399 IonicContact OE2-NH1 3.33Å; E334-R399 PolarHBondContact OE2-NH1 3.15Å; E334-R399 IonicContact OE2-NH2 2.72Å; E334-R399 PolarHBondContact OE2-NH2 3.46Å; T388-R399 HydrophobicContact CG2-CB 3.72Å; C389-R399 VanDerWaalsContact O-CA 3.28Å; C389-R399 WeakPolarHBondContact O-CA 3.28Å; V390-R399 HydrophobicContact CG2-CB 4.3Å
400N97.5Very high93.3Very high55 Ų5561 Ų6129%0.29432%0.32SS..EExtended strand (participates in β ladder)trans-146.9150.5170-159.8-4000109.9I302 M304 T388 C389I302-N400 HydrophobicContact CB-CB 3.92Å; I302-N400 HydrophobicContact CG2-CB 3.72Å; I302-N400 PolarHBondContact O-ND2 3.04Å; M304-N400 HydrophobicContact CG-CB 3.92Å; M304-N400 HydrophobicContact SD-CB 4.13Å; T388-N400 CarbonylContact C-O 3.49Å; T388-N400 WeakPolarHBondContact CA-O 3.39Å; T388-N400 WeakPolarHBondContact CG2-O 3.25Å; C389-N400 PolarHBondContact N-O 3.38Å; C389-N400 PolarHBondContact O-N 3.06Å; C389-N400 VanDerWaalsContact O-N 3.13Å
401S97.5Very high92Very high36 Ų3665.9 Ų65.925%0.25235%0.352SS..EExtended strand (participates in β ladder)trans-132.6151.2-164.9-48.90000113Y387 T388Y387-S401 CarbonylContact O-C 3.54Å; Y387-S401 VanDerWaalsContact O-CA 3.27Å; Y387-S401 WeakPolarHBondContact O-CA 3.12Å; T388-S401 WeakPolarHBondContact CB-OG 3.19Å; T388-S401 VanDerWaalsContact CG2-OG 3.29Å; T388-S401 WeakPolarHBondContact CG2-OG 3.43Å; T388-S401 PolarHBondContact OG1-OG 2.89Å
402T97.2Very high89.9Confident1 Ų171 Ų711%0.00639%0.387CS..EExtended strand (participates in β ladder)trans-115.7127.7165.9-61.80000108.9M304 N306 L307 L309 V319 Y387M304-T402 WeakPolarHBondContact CE-OG1 3.44Å; N306-T402 WeakPolarHBondContact O-CB 3.45Å; N306-T402 VanDerWaalsContact O-CG2 3.23Å; N306-T402 WeakPolarHBondContact O-CG2 3.35Å; N306-T402 PolarHBondContact O-OG1 3.44Å; L307-T402 WeakPolarHBondContact O-CA 3.5Å; L309-T402 HydrophobicContact CB-CG2 4.36Å; L309-T402 HydrophobicContact CD1-CG2 3.8Å; L309-T402 HydrophobicContact CG-CG2 3.86Å; V319-T402 HydrophobicContact CG1-CG2 4.19Å; V319-T402 WeakPolarHBondContact CG1-OG1 3.41Å; V319-T402 HydrophobicContact CG2-CG2 4.41Å; Y387-T402 PolarHBondContact N-O 3.21Å; Y387-T402 PolarHBondContact O-N 3.43Å
403E96.7Very high87.6Confident52 Ų5273.2 Ų73.224%0.24341%0.405CS..EExtended strand (participates in β ladder)trans-83.7121.5172.3-174.6-170.3169.500109.8L307 K308 L309L307-E403 PolarHBondContact O-N 2.99Å; K308-E403 CarbonylContact C-O 3.6Å; K308-E403 VanDerWaalsContact CA-O 3.23Å; K308-E403 WeakPolarHBondContact CA-O 3.42Å; K308-E403 VanDerWaalsContact CD-OE2 3.27Å; K308-E403 WeakPolarHBondContact CD-OE2 3.5Å; K308-E403 WeakPolarHBondContact CE-OE2 3.35Å; K308-E403 HydrophobicContact CG-CB 4.18Å; K308-E403 IonicContact NZ-OE2 3.84Å; K308-E403 PolarHBondContact NZ-OE2 2.77Å; L309-E403 PolarHBondContact N-O 2.95Å
404I95.9Very high85Confident1 Ų178.2 Ų78.21%0.00544%0.436CS..EExtended strand (participates in β ladder)trans-99116.4169.7-54.6-176000108L309 Q311 T317 V319 I376 Y384 G385 Y387L309-I404 HydrophobicContact CB-CG1 4.36Å; L309-I404 WeakPolarHBondContact O-CA 3.33Å; Q311-I404 HydrophobicContact CB-CG2 4.28Å; T317-I404 HydrophobicContact CG2-CD1 3.76Å; V319-I404 HydrophobicContact CG2-CD1 3.68Å; V319-I404 HydrophobicContact CG2-CG1 4.28Å; I376-I404 HydrophobicContact CD1-CD1 3.34Å; Y384-I404 CarbonylContact C-O 3.54Å; Y384-I404 WeakPolarHBondContact CA-O 3.34Å; Y384-I404 WeakPolarHBondContact CB-O 3.45Å; Y384-I404 HydrophobicContact CD1-CG2 4.03Å; Y384-I404 HydrophobicContact CE1-CG2 4.35Å; G385-I404 PolarHBondContact N-O 2.97Å; G385-I404 PolarHBondContact O-N 3.4Å; Y387-I404 HydrophobicContact CD2-CB 4.25Å; Y387-I404 HydrophobicContact CD2-CD1 3.4Å; Y387-I404 HydrophobicContact CD2-CG1 3.66Å; Y387-I404 HydrophobicContact CE2-CB 4.22Å; Y387-I404 HydrophobicContact CE2-CD1 3.47Å; Y387-I404 VanDerWaalsContact CE2-CD1 3.47Å; Y387-I404 HydrophobicContact CE2-CG1 3.98Å; Y387-I404 HydrophobicContact CG-CD1 4.24Å
405F94.2Very high82.1Confident79 Ų7984.1 Ų84.135%0.34645%0.448SS..EExtended strand (participates in β ladder)trans-118.3156-179.269.6-86.2000111K308 L309 G310 Q311 Y384 T407K308-F405 HydrophobicContact CB-CD1 4.13Å; K308-F405 HydrophobicContact CB-CE1 3.84Å; L309-F405 WeakPolarHBondContact O-CD1 3.27Å; L309-F405 PolarHBondContact O-N 2.87Å; G310-F405 VanDerWaalsContact CA-CZ 3.46Å; G310-F405 WeakPolarHBondContact CA-O 3.33Å; Q311-F405 PolarHBondContact N-O 3.01Å; Y384-F405 VanDerWaalsContact CD1-C 3.41Å; F405-T407 HydrophobicContact CD2-CG2 4.41Å; F405-T407 HydrophobicContact CE2-CG2 3.81Å; F405-T407 HydrophobicContact CZ-CG2 4.42Å; F405-T407 PolarHBondContact O-N 2.9Å
406R92.4Very high79.5Confident95 Ų9587.2 Ų87.236%0.35847%0.468SS..EExtended strand (participates in β ladder)trans-74.2129.8-179.1-176.9177.9177.7-165.60.9110.7Q311 Y384 Y408Q311-R406 WeakPolarHBondContact O-CA 3.49Å; Y384-R406 HydrophobicContact CD1-CB 4.19Å; Y384-R406 HydrophobicContact CD2-CB 4.21Å; Y384-R406 VanDerWaalsContact CE1-CA 3.47Å; Y384-R406 HydrophobicContact CE1-CB 3.86Å; Y384-R406 HydrophobicContact CE1-CG 4.5Å; Y384-R406 HydrophobicContact CE2-CB 3.89Å; Y384-R406 HydrophobicContact CE2-CG 4.16Å; Y384-R406 HydrophobicContact CG-CB 4.34Å; R406-Y408 VanDerWaalsContact CZ-CE1 3.43Å
407T90.1Very high76.7Confident45 Ų4591.3 Ų91.328%0.27648%0.482SS..  trans-102.3159.1163.152.70000110.7Q311 L312 F405Q311-T407 PolarHBondContact N-OG1 3.15Å; Q311-T407 PolarHBondContact O-N 3.41Å; Q311-T407 VanDerWaalsContact O-N 3.11Å; L312-T407 PolarHBondContact N-OG1 3.48Å; F405-T407 HydrophobicContact CD2-CG2 4.41Å; F405-T407 HydrophobicContact CE2-CG2 3.81Å; F405-T407 HydrophobicContact CZ-CG2 4.42Å; F405-T407 PolarHBondContact O-N 2.9Å
408Y87.6Confident74.4Confident164 Ų16492 Ų9264%0.64349%0.491SS*.  trans-113.6144176.2-57.2-89.8000108R406 S410R406-Y408 VanDerWaalsContact CZ-CE1 3.43Å; Y408-S410 PolarHBondContact O-N 3.27Å
409S80.6Confident71.6Confident96 Ų9697.4 Ų97.467%0.67151%0.514SS*.PPolyproline II helixtrans-59126167.747.90000108.1
410S76.7Confident68.7Low101 Ų10195.5 Ų95.571%0.70654%0.535SS*.PPolyproline II helixtrans-55.3135.5167.7-175.40000107.8Y408 S412Y408-S410 PolarHBondContact O-N 3.27Å; S410-S412 PolarHBondContact O-N 3.05Å
411P66.9Low65.5Low103 Ų10395.5 Ų95.567%0.66955%0.548SS*.PPolyproline II helixtrans-51134.4165.7-19.530.3000107.4T413P411-T413 VanDerWaalsContact C-N 3.27Å; P411-T413 PolarHBondContact O-N 2.89Å
412S51Low62.2Low106 Ų106100.8 Ų100.874%0.74157%0.573SS**  trans-57.198.8168.150.70000107S410 T414S410-S412 PolarHBondContact O-N 3.05Å; S412-T414 PolarHBondContact O-N 3.04Å
413T46.7Very low58.9Low110 Ų110110 Ų11068%0.67561%0.609SS**  trans-6795.7158.347.50000104.1P411 W415P411-T413 VanDerWaalsContact C-N 3.27Å; P411-T413 PolarHBondContact O-N 2.89Å; T413-W415 PolarHBondContact O-N 3.49Å
414T38.6Very low55.7Low116 Ų116113.7 Ų113.771%0.71263%0.631SS**  trans-5794.1156.348.60000104.7S412 D416S412-T414 PolarHBondContact O-N 3.04Å; T414-D416 VanDerWaalsContact C-N 3.25Å; T414-D416 PolarHBondContact O-N 3.37Å
415W34.1Very low52.5Low207 Ų207121.4 Ų121.478%0.78467%0.667SS**  trans-62.9106.1155.8-96.868.1000103.9T413 N417T413-W415 PolarHBondContact O-N 3.49Å; W415-N417 PolarHBondContact O-N 3.15Å
416D38.5Very low49.3Very low144 Ų144126 Ų12677%0.7769%0.689SS**  trans-59.379.9161.5-104.4-14.2000106.3T414 S418T414-D416 VanDerWaalsContact C-N 3.25Å; T414-D416 PolarHBondContact O-N 3.37Å; D416-S418 PolarHBondContact O-N 3.43Å; D416-S418 VanDerWaalsContact O-N 3.08Å
417N38.7Very low46.4Very low118 Ų118130.6 Ų130.663%0.63171%0.712SS**  trans-74.296.2158.7-80.2-17.8000104.4W415 F419W415-N417 PolarHBondContact O-N 3.15Å; N417-F419 PolarHBondContact O-N 2.8Å
418S46.5Very low43.6Very low104 Ų104133.6 Ų133.673%0.72773%0.732SS**SBendtrans-57.915171.69.60000114.3D416D416-S418 PolarHBondContact O-N 3.43Å; D416-S418 VanDerWaalsContact O-N 3.08Å
419F40.2Very low40.7Very low183 Ų183132.4 Ų132.480%0.80374%0.737SS**SBendtrans-131.5103.7171.3-66.4-76.5000108.4N417 G421N417-F419 PolarHBondContact O-N 2.8Å; F419-G421 PolarHBondContact O-N 2.83Å
420G35.5Very low38.5Very low89 Ų89136.3 Ų136.392%0.91875%0.749SS**  trans-51127.7-174.800000113.1
421G30.7Very low36.4Very low55 Ų55139.3 Ų139.357%0.56776%0.756SS**  trans-169.390.5173.200000108.9F419 Y423F419-G421 PolarHBondContact O-N 2.83Å; G421-Y423 PolarHBondContact O-N 3.46Å
422N28.1Very low34.7Very low147 Ų147139.9 Ų139.979%0.78676%0.758SS**  trans-67.890.3177.9-167.829.3000109.6
423Y28.4Very low33.9Very low194 Ų194140.8 Ų140.876%0.76176%0.755SS**  trans-110.598.4166.4-70.4-74.9000108.5G421 H425G421-Y423 PolarHBondContact O-N 3.46Å; Y423-H425 VanDerWaalsContact C-N 3.32Å; Y423-H425 PolarHBondContact O-N 3.26Å
424D27.9Very low33.5Very low131 Ų131141.6 Ų141.670%0.70175%0.746SS**  trans-57.196.3165.4-80.4-41.4000108.7H426D424-H426 PolarHBondContact O-N 3.4Å
425H30.3Very low33.7Very low163 Ų163142.8 Ų142.876%0.75574%0.744SS**  trans-69.887.6167.3-75.8-70.9000108.5Y423 F427Y423-H425 VanDerWaalsContact C-N 3.32Å; Y423-H425 PolarHBondContact O-N 3.26Å; H425-F427 PolarHBondContact O-N 3.31Å
426H26.1Very low34.5Very low176 Ų176133.8 Ų133.882%0.81572%0.715SS**  trans-53.4103.4156.6-86.4-1.4000108.7D424D424-H426 PolarHBondContact O-N 3.4Å
427F30.6Very low35.3Very low191 Ų191128.3 Ų128.384%0.83869%0.688SS**  trans-62.4132.7167.8-93.1-91.6000109.1H425H425-F427 PolarHBondContact O-N 3.31Å
428P31.2Very low36.1Very low108 Ų108123.5 Ų123.570%0.70166%0.661SS**  trans-76.4141.7-163.8-9.726.6000111.6L430P428-L430 PolarHBondContact O-N 3.42Å; P428-L430 VanDerWaalsContact O-N 3.08Å
429N28.5Very low36.8Very low138 Ų138123.2 Ų123.274%0.73865%0.649SS**  trans-40.3113.2164.9-71.5-37.6000111.3L431N429-L431 PolarHBondContact O-N 3.12Å
430L33.5Very low38Very low178 Ų178122 Ų12293%0.93264%0.643SS**SBendtrans-72.126.8173.1-128.8100.4000113P428P428-L430 PolarHBondContact O-N 3.42Å; P428-L430 VanDerWaalsContact O-N 3.08Å
431L31.6Very low39.5Very low164 Ų164118.3 Ų118.386%0.85960%0.602SS**  trans-100.357172.5-82.8151.1000108.8N429N429-L431 PolarHBondContact O-N 3.12Å
432T32.6Very low41Very low115 Ų115116 Ų11671%0.70658%0.578SS**  trans-124.1121.8172.7530000110.1
433N33.1Very low42.6Very low126 Ų126113.8 Ų113.867%0.67456%0.562SS**  trans77.964.1174.2-62.8-9.7000117.5
434Y39.4Very low44.3Very low127 Ų127111.8 Ų111.850%0.49856%0.558SS.*Hα-helixtrans-58.8-46.1160.9-176.3-100.4000112Y438Y434-Y438 HydrophobicContact CE2-CE2 4.28Å; Y434-Y438 WeakPolarHBondContact O-CD2 3.26Å
435Q42.9Very low45.6Very low141 Ų141106.8 Ų106.866%0.65953%0.531SS*.Hα-helixtrans-73.5-49.8-179.2-96.8157-57.400113.8S437 Y438 E439Q435-S437 PolarHBondContact O-N 3.42Å; Q435-S437 VanDerWaalsContact O-N 3.1Å; Q435-Y438 PolarHBondContact O-N 2.81Å; Q435-E439 PolarHBondContact O-N 2.81Å
436G49.5Very low47Very low18 Ų18101 Ų10119%0.18651%0.506CS..Hα-helixtrans-64.7-20.6-173.300000116E439 K440G436-E439 WeakPolarHBondContact CA-OE2 2.95Å; G436-K440 WeakPolarHBondContact O-CG 2.86Å; G436-K440 PolarHBondContact O-N 3.18Å
437S56.9Low48.2Very low29 Ų2995.7 Ų95.720%0.20350%0.5CS..Hα-helixtrans-76-35.1174-176.80000112.3R320 Q435 M441R320-S437 VanDerWaalsContact CZ-OG 3.31Å; R320-S437 PolarHBondContact NH1-OG 3.46Å; R320-S437 PolarHBondContact NH2-OG 2.86Å; Q435-S437 PolarHBondContact O-N 3.42Å; Q435-S437 VanDerWaalsContact O-N 3.1Å; S437-M441 VanDerWaalsContact O-CE 3.25Å; S437-M441 WeakPolarHBondContact O-CE 3.39Å; S437-M441 PolarHBondContact O-N 3.38Å
438Y54.4Low48.9Very low16 Ų1690.9 Ų90.96%0.06348%0.48CS..Hα-helixtrans-74.1-41.1178.5-82.5-58.5000111.4V322 R371 T372 T373 Y434 Q435 M441 S442V322-Y438 HydrophobicContact CG2-CD1 3.81Å; V322-Y438 HydrophobicContact CG2-CE1 4.12Å; R371-Y438 HydrophobicContact CB-CD1 3.79Å; R371-Y438 HydrophobicContact CB-CE1 3.47Å; R371-Y438 VanDerWaalsContact CB-CE1 3.47Å; R371-Y438 VanDerWaalsContact CD-CD1 3.42Å; R371-Y438 HydrophobicContact CG-CD1 3.62Å; R371-Y438 HydrophobicContact CG-CE1 3.85Å; R371-Y438 HydrophobicContact CG-CG 4.36Å; T372-Y438 PolarHBondContact O-OH 3.17Å; T373-Y438 PolarHBondContact OG1-OH 3.21Å; Y434-Y438 HydrophobicContact CE2-CE2 4.28Å; Y434-Y438 WeakPolarHBondContact O-CD2 3.26Å; Q435-Y438 PolarHBondContact O-N 2.81Å; Y438-M441 HydrophobicContact CD1-CE 4.04Å; Y438-M441 HydrophobicContact CE1-CE 4.38Å; Y438-M441 PolarHBondContact O-N 3.27Å; Y438-S442 VanDerWaalsContact O-CB 3.28Å; Y438-S442 WeakPolarHBondContact O-CB 3.23Å; Y438-S442 PolarHBondContact O-N 3.25Å; Y438-S442 PolarHBondContact O-OG 3.41Å
439E61Low48.9Very low99 Ų9992.2 Ų92.246%0.46348%0.481SS..Hα-helixtrans-56-52.9177-71.6156.9-169.300110.6Q435 G436 M441 S442 E443Q435-E439 PolarHBondContact O-N 2.81Å; G436-E439 WeakPolarHBondContact CA-OE2 2.95Å; E439-M441 PolarHBondContact O-N 3.22Å; E439-S442 PolarHBondContact O-N 2.71Å; E439-E443 WeakPolarHBondContact O-CB 3.41Å; E439-E443 WeakPolarHBondContact O-CG 3.42Å; E439-E443 PolarHBondContact O-N 2.92Å
440K65.8Low48.9Very low156 Ų15691.2 Ų91.268%0.67848%0.476SS*.Hα-helixtrans-59.1-41.4178.5-71.3-178.6-179.8-173.30114.6G436 K444G436-K440 WeakPolarHBondContact O-CG 2.86Å; G436-K440 PolarHBondContact O-N 3.18Å; K440-K444 PolarHBondContact O-N 2.98Å
441M66.5Low48.6Very low12 Ų1291.8 Ų91.86%0.05947%0.471CS..Hα-helixtrans-69.9-36.2175.6-73.5-174.6-72.400111.4E303 A305 V322 S437 Y438 E439 L445E303-M441 HydrophobicContact CG-CG 4.26Å; E303-M441 HydrophobicContact CG-SD 4.35Å; A305-M441 VanDerWaalsContact CA-SD 3.55Å; A305-M441 HydrophobicContact CB-CE 3.81Å; A305-M441 HydrophobicContact CB-SD 3.78Å; V322-M441 HydrophobicContact CB-CB 4.25Å; V322-M441 HydrophobicContact CG2-CB 3.65Å; V322-M441 HydrophobicContact CG2-CE 3.67Å; V322-M441 HydrophobicContact CG2-CG 4.37Å; V322-M441 HydrophobicContact CG2-SD 3.85Å; S437-M441 VanDerWaalsContact O-CE 3.25Å; S437-M441 WeakPolarHBondContact O-CE 3.39Å; S437-M441 PolarHBondContact O-N 3.38Å; Y438-M441 HydrophobicContact CD1-CE 4.04Å; Y438-M441 HydrophobicContact CE1-CE 4.38Å; Y438-M441 PolarHBondContact O-N 3.27Å; E439-M441 PolarHBondContact O-N 3.22Å; M441-L445 WeakPolarHBondContact O-CG 3.41Å; M441-L445 PolarHBondContact O-N 3.46Å
442S62.4Low48.3Very low8 Ų891 Ų916%0.05647%0.468CS..Hα-helixtrans-71.8-44-179-52.60000111.8R371 Y438 E439 K444 L445 T446R371-S442 VanDerWaalsContact CZ-OG 3.29Å; R371-S442 PolarHBondContact NE-OG 2.71Å; R371-S442 VanDerWaalsContact NH2-CB 3.33Å; R371-S442 PolarHBondContact NH2-OG 3.37Å; Y438-S442 VanDerWaalsContact O-CB 3.28Å; Y438-S442 WeakPolarHBondContact O-CB 3.23Å; Y438-S442 PolarHBondContact O-N 3.25Å; Y438-S442 PolarHBondContact O-OG 3.41Å; E439-S442 PolarHBondContact O-N 2.71Å; S442-K444 VanDerWaalsContact C-N 3.27Å; S442-K444 PolarHBondContact O-N 3.44Å; S442-L445 CarbonylContact O-C 3.58Å; S442-L445 PolarHBondContact O-N 3.42Å; S442-T446 WeakPolarHBondContact O-CG2 3.35Å; S442-T446 PolarHBondContact O-N 3.25Å; S442-T446 PolarHBondContact O-OG1 3.02Å; S442-T446 VanDerWaalsContact O-OG1 3.09Å
443E62.1Low48.1Very low99 Ų9990.9 Ų90.946%0.46347%0.471SS..Hα-helixtrans-56.6-41.8176.4-75.3167.1-17100111.8E439 L445 T446 G447E439-E443 WeakPolarHBondContact O-CB 3.41Å; E439-E443 WeakPolarHBondContact O-CG 3.42Å; E439-E443 PolarHBondContact O-N 2.92Å; E443-L445 VanDerWaalsContact C-N 3.25Å; E443-L445 PolarHBondContact O-N 3.09Å; E443-T446 PolarHBondContact O-N 3.29Å; E443-T446 PolarHBondContact O-OG1 3.28Å; E443-G447 PolarHBondContact O-N 2.99Å
444K63.8Low47.8Very low153 Ų15391.9 Ų91.967%0.66548%0.475SS*.Hα-helixtrans-64.8-29.5177-171.1174164.8-158.30112.9E303 K440 S442E303-K444 WeakPolarHBondContact OE1-CD 3.4Å; E303-K444 IonicContact OE1-NZ 3.02Å; E303-K444 PolarHBondContact OE1-NZ 3.46Å; K440-K444 PolarHBondContact O-N 2.98Å; S442-K444 VanDerWaalsContact C-N 3.27Å; S442-K444 PolarHBondContact O-N 3.44Å
445L56.5Low47Very low26 Ų2690.1 Ų90.114%0.13648%0.481CS..Hα-helixtrans-88.3-30.5178.8-69171.3000113.4T301 E303 V322 A324 M441 S442 E443T301-L445 WeakPolarHBondContact OG1-CD2 3.42Å; E303-L445 HydrophobicContact CB-CD1 4.36Å; V322-L445 HydrophobicContact CB-CD1 3.96Å; V322-L445 HydrophobicContact CG1-CD1 3.52Å; A324-L445 HydrophobicContact CB-CB 4.26Å; A324-L445 HydrophobicContact CB-CD1 4.1Å; A324-L445 HydrophobicContact CB-CD2 4.49Å; M441-L445 WeakPolarHBondContact O-CG 3.41Å; M441-L445 PolarHBondContact O-N 3.46Å; S442-L445 CarbonylContact O-C 3.58Å; S442-L445 PolarHBondContact O-N 3.42Å; E443-L445 VanDerWaalsContact C-N 3.25Å; E443-L445 PolarHBondContact O-N 3.09Å
446T59.4Low46.2Very low40 Ų4089.7 Ų89.725%0.24549%0.489CS..Hα-helixtrans-87-14.5178.856.70000113.4I369 S442 E443 Q448I369-T446 HydrophobicContact CD1-CG2 3.45Å; I369-T446 VanDerWaalsContact CD1-CG2 3.45Å; S442-T446 WeakPolarHBondContact O-CG2 3.35Å; S442-T446 PolarHBondContact O-N 3.25Å; S442-T446 PolarHBondContact O-OG1 3.02Å; S442-T446 VanDerWaalsContact O-OG1 3.09Å; E443-T446 PolarHBondContact O-N 3.29Å; E443-T446 PolarHBondContact O-OG1 3.28Å; T446-Q448 PolarHBondContact O-N 3.1Å
447G50.8Low44.8Very low65 Ų6595.1 Ų95.167%0.6752%0.518SS*.THydrogen-bonded Turntrans70.613.2-177.900000113.7E443 N449E443-G447 PolarHBondContact O-N 2.99Å; G447-N449 PolarHBondContact O-N 3.16Å; G447-N449 VanDerWaalsContact O-N 3.11Å
448Q45.2Very low43.3Very low90 Ų90100.3 Ų100.342%0.42154%0.544SS..  trans-82.390.9-176.7-163.2170-13.900110.3T446 D450T446-Q448 PolarHBondContact O-N 3.1Å; Q448-D450 PolarHBondContact NE2-OD1 3.39Å; Q448-D450 PolarHBondContact O-N 3.02Å
449N31.2Very low41.9Very low137 Ų137106.2 Ų106.273%0.73358%0.582SS**  trans-80.2102.1158.7-79.1-27.7000107.3G447 F451G447-N449 PolarHBondContact O-N 3.16Å; G447-N449 VanDerWaalsContact O-N 3.11Å; N449-F451 HydrophobicContact CB-CD2 4.4Å; N449-F451 PolarHBondContact O-N 3.12Å
450D27.8Very low40.3Very low116 Ų116107.5 Ų107.562%0.6260%0.596SS**  trans-65.189.3167.7-83-15.7000109Q448 N452Q448-D450 PolarHBondContact NE2-OD1 3.39Å; Q448-D450 PolarHBondContact O-N 3.02Å; D450-N452 PolarHBondContact O-N 2.81Å
451F26.9Very low38.5Very low190 Ų190107 Ų10783%0.83360%0.601SS**  trans-67.468.3159.8-96.2-85.5000108.5N449N449-F451 HydrophobicContact CB-CD2 4.4Å; N449-F451 PolarHBondContact O-N 3.12Å
452N26Very low36.5Very low149 Ų149115.7 Ų115.780%0.79764%0.641SS**  trans-169.753.7161.1-91.5-24.3000110.3D450D450-N452 PolarHBondContact O-N 2.81Å
453S28.4Very low34.9Very low111 Ų111126.9 Ų126.978%0.77668%0.682SS**  trans-131.772.8150.358.20000109.1S455S453-S455 PolarHBondContact O-N 3.21Å
454I26.8Very low33.4Very low147 Ų147131.3 Ų131.375%0.75470%0.703SS**  trans-67.1113.8168.6-70.2169.5000108
455S23Very low31.8Very low90 Ų90129 Ų12963%0.62970%0.704SS**  trans41.6100150.766.80000118.5S453S453-S455 PolarHBondContact O-N 3.21Å
456T25.1Very low30.6Very low133 Ų133134.1 Ų134.182%0.81674%0.738SS**  trans-12787.7136.846.50000109.2N458T456-N458 VanDerWaalsContact C-N 3.3Å; T456-N458 PolarHBondContact O-N 3.36Å
457T21.8Very low29.5Very low131 Ų131138.3 Ų138.380%0.80476%0.758SS**  trans-61.697.3151.4440000107.3
458N25.1Very low28.8Very low138 Ų138138.5 Ų138.574%0.73875%0.748SS**  trans-137.891.5162-94.6-20.1000109.2T456 V460T456-N458 VanDerWaalsContact C-N 3.3Å; T456-N458 PolarHBondContact O-N 3.36Å; N458-V460 PolarHBondContact O-N 3.04Å; N458-V460 VanDerWaalsContact O-N 3.15Å
459T24.1Very low28.4Very low141 Ų141139.3 Ų139.387%0.86576%0.761SS**  trans-60.494.115345.50000109.3
460V28.2Very low28.7Very low125 Ų125137.7 Ų137.776%0.75876%0.757SS**  trans-144117.8156.7-176.30000110.2N458N458-V460 PolarHBondContact O-N 3.04Å; N458-V460 VanDerWaalsContact O-N 3.15Å
461N27.2Very low29.1Very low146 Ų146136.4 Ų136.478%0.78176%0.755SS**  trans-14.3126.8166.1-67.1-34.4000118.2R463N461-R463 PolarHBondContact O-N 2.74Å
462Q25.4Very low29.7Very low195 Ų195132.8 Ų132.891%0.91174%0.744SS**  trans-7.4103.1143.2-63.8175.6-8.400114.8
463R29.2Very low30.1Very low242 Ų242134 Ų13491%0.91374%0.742SS**  trans-128.6120.4146.8-74.7-169.4-178.3-172.81.5108.5N461N461-R463 PolarHBondContact O-N 2.74Å
464Q29.2Very low30.4Very low193 Ų193137.4 Ų137.490%0.90274%0.74SS**PPolyproline II helixtrans-56.2132.2-178.5-135.4163.5-4.100110.5
465P29.8Very low30.8Very low105 Ų105138.5 Ų138.568%0.68274%0.739SS**PPolyproline II helixtrans-71.7152.3178.627-31.8000111.9
466P32.3Very low31.2Very low132 Ų132141.5 Ų141.586%0.85775%0.748SS**PPolyproline II helixtrans-68.5133.4-172.226.6-32.8000112.2
467I36.5Very low31.4Very low129 Ų129139.4 Ų139.466%0.66273%0.734SS**PPolyproline II helixtrans-71.4129.5-176.7-63.2163.6000109.8L472I467-L472 HydrophobicContact CG2-CD1 4.07Å
468C34.8Very low31.8Very low68 Ų68142.1 Ų142.146%0.45974%0.735SS.*PPolyproline II helixtrans-59.7129.6177.2-176.50000111.3T470 C471C468-T470 PolarHBondContact O-N 3.2Å; C468-T470 VanDerWaalsContact O-N 3.11Å; C468-T470 PolarHBondContact SG-OG1 2.81Å; C468-C471 PolarHBondContact O-N 3.15Å
469P38.5Very low31.9Very low107 Ų107142.3 Ų142.370%0.69574%0.736SS**Hα-helixtrans-57.1-28.5-177.2-2532.6000114.3C471 L472P469-C471 VanDerWaalsContact C-N 3.29Å; P469-C471 PolarHBondContact O-N 3.27Å; P469-L472 PolarHBondContact O-N 2.82Å
470T37Very low32.1Very low104 Ų104141.8 Ų141.864%0.63873%0.727SS**Hα-helixtrans-69.1-28.5179.5-23.30000112.2C468C468-T470 PolarHBondContact O-N 3.2Å; C468-T470 VanDerWaalsContact O-N 3.11Å; C468-T470 PolarHBondContact SG-OG1 2.81Å
471C35.4Very low32Very low88 Ų88142 Ų14260%0.59573%0.73SS**Hα-helixtrans-79.1-17.3179.1-63.80000113.2C468 P469 K473C468-C471 PolarHBondContact O-N 3.15Å; P469-C471 VanDerWaalsContact C-N 3.29Å; P469-C471 PolarHBondContact O-N 3.27Å; C471-K473 VanDerWaalsContact C-N 3.33Å
472L40.6Very low32Very low114 Ų114140.3 Ų140.360%0.59772%0.724SS**Hα-helixtrans-75.2-22.1175.8-95.9136.5000113I467 P469 Y474I467-L472 HydrophobicContact CG2-CD1 4.07Å; P469-L472 PolarHBondContact O-N 2.82Å; L472-Y474 VanDerWaalsContact C-N 3.33Å; L472-Y474 PolarHBondContact O-N 3.21Å
473K33.5Very low32Very low174 Ų174138.8 Ų138.876%0.75772%0.721SS**THydrogen-bonded Turntrans-74.7-20.5-175.1-154.8171.9-175.7179.90114C471C471-K473 VanDerWaalsContact C-N 3.33Å
474Y34Very low31.9Very low184 Ų184131.9 Ų131.972%0.72271%0.71SS**THydrogen-bonded Turntrans-108.19.5-176.8-70.4-78.4000114.3L472 N476L472-Y474 VanDerWaalsContact C-N 3.33Å; L472-Y474 PolarHBondContact O-N 3.21Å; Y474-N476 VanDerWaalsContact C-N 3.35Å; Y474-N476 PolarHBondContact O-N 3.12Å
475K35.9Very low31.9Very low170 Ų170128.6 Ų128.674%0.73971%0.706SS**THydrogen-bonded Turntrans-77.8-17.5-176.9-153.9174.4-178.3-1770114
476N32.3Very low31.7Very low153 Ų153130.4 Ų130.482%0.81871%0.71SS**THydrogen-bonded Turntrans-131.149.6-173.9-72.5-17.5000113.3Y474Y474-N476 VanDerWaalsContact C-N 3.35Å; Y474-N476 PolarHBondContact O-N 3.12Å
477V28.8Very low31.5Very low88 Ų88129.8 Ų129.853%0.53371%0.706SS.*  trans-10471.2161.5-169.70000107.8L480V477-L480 HydrophobicContact CG1-CD1 3.61Å
478K29.6Very low30.9Very low189 Ų189132.7 Ų132.782%0.82272%0.719SS**  trans-77.9137.2151.2-77.5-179.4175.2-179.30105.4
479D28.3Very low30.5Very low142 Ų142135.4 Ų135.476%0.75973%0.733SS**  trans80.785.2176-47.8-27.6000115.7
480L27.4Very low30Very low129 Ų129137.7 Ų137.768%0.67574%0.739SS**  trans-140.960.1153-103.3144.5000108.3V477 T482 L483V477-L480 HydrophobicContact CG1-CD1 3.61Å; L480-T482 VanDerWaalsContact C-N 3.28Å; L480-L483 HydrophobicContact CD2-CD1 4.42Å
481T27.3Very low29.6Very low131 Ų131139.6 Ų139.680%0.80475%0.745SS**  trans-87.711.9169.638.90000113
482T27.3Very low29.4Very low110 Ų110140.1 Ų140.168%0.67575%0.746SS**  trans-144.291.5179.654.90000111.1L480L480-T482 VanDerWaalsContact C-N 3.28Å
483L24.9Very low29Very low162 Ų162142.6 Ų142.685%0.84875%0.752SS**  trans-162.7114.4142.7-99.8136.7000108.4L480L480-L483 HydrophobicContact CD2-CD1 4.42Å
484S25.6Very low29.3Very low97 Ų97138.3 Ų138.368%0.67874%0.744SS**  trans-59.4161.7172.755.80000111.7D486S484-D486 PolarHBondContact O-N 3.13Å
485P30.2Very low29.3Very low124 Ų124134.7 Ų134.781%0.80574%0.737SS**  trans-86.7113.9-164.633.2-27.8000110.3
486D25.4Very low29.4Very low143 Ų143134.6 Ų134.677%0.76573%0.733SS**  trans-118142.6160.2-84.3-34.7000109.9S484 M488S484-D486 PolarHBondContact O-N 3.13Å; D486-M488 PolarHBondContact O-N 3.07Å
487P28.3Very low29.7Very low120 Ų120131.6 Ų131.678%0.77972%0.717SS**  trans-84.4111.7-15532.3-32000110.9T489P487-T489 PolarHBondContact O-N 3.45Å
488M24.1Very low30.2Very low190 Ų190135.3 Ų135.394%0.93672%0.723SS**  trans-83.1112.5168.1-78.7-169.9-171.400110.5D486D486-M488 PolarHBondContact O-N 3.07Å
489T26.6Very low30.8Very low124 Ų124131.6 Ų131.676%0.76171%0.712SS**  trans-47.2138.5172.940.60000113.8P487 N491P487-T489 PolarHBondContact O-N 3.45Å; T489-N491 PolarHBondContact O-N 3.43Å
490L26.8Very low31.4Very low156 Ų156132.1 Ų132.182%0.81770%0.703SS**  trans-49.5116.9168.7-119.376.7000110.5T492L490-T492 VanDerWaalsContact C-N 3.35Å; L490-T492 PolarHBondContact O-N 3.26Å
491N28.5Very low32Very low144 Ų144131.3 Ų131.377%0.7770%0.699SS**  trans-70.987.8170.5-85.5-29.6000110.2T489 F493T489-N491 PolarHBondContact O-N 3.43Å; N491-F493 PolarHBondContact O-N 3.5Å
492T32.4Very low32.7Very low98 Ų98129.3 Ų129.360%0.60168%0.683SS**THydrogen-bonded Turntrans-79.416.1170.645.60000113.6L490L490-T492 VanDerWaalsContact C-N 3.35Å; L490-T492 PolarHBondContact O-N 3.26Å
493F31.6Very low33.6Very low167 Ų167126.7 Ų126.773%0.73267%0.67SS**Hα-helixtrans-83.8-18.8-175-112.3-90.9000114.8N491N491-F493 PolarHBondContact O-N 3.5Å
494S39.2Very low34.4Very low84 Ų84122.5 Ų122.559%0.58765%0.648SS**Hα-helixtrans-79.3-32.4179.6560000113.5
495D35.9Very low35.5Very low108 Ų108122.2 Ų122.258%0.57864%0.642SS**Hα-helixtrans-79.5-30.1-174-67-12.4000112.5Y498 L499D495-Y498 PolarHBondContact O-N 3.06Å; D495-L499 WeakPolarHBondContact O-CG 3.4Å; D495-L499 PolarHBondContact O-N 3.16Å
496Y37.6Very low35.9Very low167 Ų167121.3 Ų121.366%0.65563%0.63SS**Hα-helixtrans-67.9-38.6179.7-163.2-94.3000112.6R500Y496-R500 WeakPolarHBondContact O-CB 3.46Å; Y496-R500 PolarHBondContact O-N 2.95Å
497N37Very low36.9Very low90 Ų90121.2 Ų121.248%0.48162%0.623SS.*Hα-helixtrans-72-31.3176.7-78.9-30.2000112.4N501N497-N501 WeakPolarHBondContact O-CB 3.48Å; N497-N501 PolarHBondContact O-N 3.44Å; N497-N501 VanDerWaalsContact O-N 3.09Å
498Y40Very low37.7Very low166 Ų166121.3 Ų121.365%0.65162%0.616SS**Hα-helixtrans-68.2-45.9175.2-169.2-97.4000111.7D495 R500 N501 L502D495-Y498 PolarHBondContact O-N 3.06Å; Y498-R500 PolarHBondContact O-N 3.37Å; Y498-N501 PolarHBondContact O-N 3.43Å; Y498-L502 PolarHBondContact O-N 3.38Å
499L42.3Very low39.2Very low112 Ų112115 Ų11559%0.58659%0.59SS**Hα-helixtrans-65.3-37.4177.1-71.6168.8000112.6D495 L502 S503D495-L499 WeakPolarHBondContact O-CG 3.4Å; D495-L499 PolarHBondContact O-N 3.16Å; L499-L502 PolarHBondContact O-N 3.37Å; L499-S503 PolarHBondContact O-N 3.28Å; L499-S503 VanDerWaalsContact O-N 3.08Å
500R40.8Very low40Very low152 Ų152114.4 Ų114.457%0.57458%0.582SS**Hα-helixtrans-66.6-40.3175.9-173.9175.7172.2-175-3.1112.3Y496 Y498 S503 N504Y496-R500 WeakPolarHBondContact O-CB 3.46Å; Y496-R500 PolarHBondContact O-N 2.95Å; Y498-R500 PolarHBondContact O-N 3.37Å; R500-S503 PolarHBondContact O-N 3.45Å; R500-N504 PolarHBondContact O-N 2.96Å; R500-N504 VanDerWaalsContact O-N 3.1Å
501N40.4Very low41.3Very low112 Ų112110 Ų11060%0.59957%0.565SS**Hα-helixtrans-65.5-41.7175.9-84.4-11.5000111.7N497 Y498 S503 N504 T505N497-N501 WeakPolarHBondContact O-CB 3.48Å; N497-N501 PolarHBondContact O-N 3.44Å; N497-N501 VanDerWaalsContact O-N 3.09Å; Y498-N501 PolarHBondContact O-N 3.43Å; N501-S503 PolarHBondContact O-N 3.49Å; N501-N504 PolarHBondContact O-N 3.43Å; N501-T505 PolarHBondContact O-N 3.16Å; N501-T505 PolarHBondContact O-OG1 3.27Å
502L42.6Very low42.7Very low89 Ų89106.5 Ų106.547%0.46655%0.548SS..Hα-helixtrans-61.6-43.1177.6-157.678.3000112.1Y498 L499 T505 L506Y498-L502 PolarHBondContact O-N 3.38Å; L499-L502 PolarHBondContact O-N 3.37Å; L502-T505 WeakPolarHBondContact CA-OG1 3.34Å; L502-T505 PolarHBondContact O-N 3.29Å; L502-T505 PolarHBondContact O-OG1 3.1Å; L502-L506 PolarHBondContact O-N 3.48Å; L502-L506 VanDerWaalsContact O-N 3.12Å
503S46.1Very low44.1Very low56 Ų56109.1 Ų109.139%0.39255%0.551SS.*Hα-helixtrans-62-42.6176-173.80000112.5L499 R500 N501 L506 K507L499-S503 PolarHBondContact O-N 3.28Å; L499-S503 VanDerWaalsContact O-N 3.08Å; R500-S503 PolarHBondContact O-N 3.45Å; N501-S503 PolarHBondContact O-N 3.49Å; S503-L506 PolarHBondContact O-N 2.87Å; S503-K507 WeakPolarHBondContact O-CG 3.42Å; S503-K507 PolarHBondContact O-N 3.1Å; S503-K507 VanDerWaalsContact O-N 3.07Å
504N40.4Very low45.4Very low73 Ų73107.9 Ų107.939%0.3955%0.548SS..Hα-helixtrans-68-38.2178.8-75.6-16.4000112.5R500 N501 K507 L508R500-N504 PolarHBondContact O-N 2.96Å; R500-N504 VanDerWaalsContact O-N 3.1Å; N501-N504 PolarHBondContact O-N 3.43Å; N504-K507 PolarHBondContact O-N 3.38Å; N504-L508 PolarHBondContact O-N 3.35Å; N504-L508 VanDerWaalsContact O-N 3.12Å
505T48.8Very low46.5Very low91 Ų91109.2 Ų109.256%0.55855%0.548SS*.Hα-helixtrans-63.7-39.9173.731.20000112.7N501 L502 L508 S509N501-T505 PolarHBondContact O-N 3.16Å; N501-T505 PolarHBondContact O-OG1 3.27Å; L502-T505 WeakPolarHBondContact CA-OG1 3.34Å; L502-T505 PolarHBondContact O-N 3.29Å; L502-T505 PolarHBondContact O-OG1 3.1Å; T505-L508 PolarHBondContact O-N 3.1Å; T505-S509 PolarHBondContact O-N 2.96Å; T505-S509 VanDerWaalsContact O-N 3.08Å
506L38.8Very low48.1Very low105 Ų105108.9 Ų108.955%0.5555%0.545SS..Hα-helixtrans-67.8-34.8176.9-103.9133.3000112.9L502 S503 S509 L510L502-L506 PolarHBondContact O-N 3.48Å; L502-L506 VanDerWaalsContact O-N 3.12Å; S503-L506 PolarHBondContact O-N 2.87Å; L506-S509 PolarHBondContact O-N 3.09Å; L506-S509 PolarHBondContact O-OG 3.34Å; L506-L510 PolarHBondContact O-N 3Å
507K45.7Very low49.3Very low142 Ų142108.9 Ų108.962%0.61754%0.544SS*.Hα-helixtrans-68.5-38.5174.6-75.3179.8-179.3178.50112.4S503 N504 S511S503-K507 WeakPolarHBondContact O-CG 3.42Å; S503-K507 PolarHBondContact O-N 3.1Å; S503-K507 VanDerWaalsContact O-N 3.07Å; N504-K507 PolarHBondContact O-N 3.38Å; K507-S511 PolarHBondContact O-N 2.98Å
508L45.3Very low50.7Low122 Ų122110.3 Ų110.364%0.63955%0.551SS**Hα-helixtrans-66.9-37.9174.8-111.788.2000112.2N504 T505 L510 S511 T512N504-L508 PolarHBondContact O-N 3.35Å; N504-L508 VanDerWaalsContact O-N 3.12Å; T505-L508 PolarHBondContact O-N 3.1Å; L508-L510 VanDerWaalsContact C-N 3.34Å; L508-L510 PolarHBondContact O-N 3.4Å; L508-S511 PolarHBondContact O-N 2.99Å; L508-S511 PolarHBondContact O-OG 3.44Å; L508-S511 VanDerWaalsContact O-OG 3.08Å; L508-T512 WeakPolarHBondContact O-CG2 3.45Å; L508-T512 PolarHBondContact O-N 3.1Å; L508-T512 PolarHBondContact O-OG1 3Å
509S55.4Low51.8Low56 Ų56108.7 Ų108.739%0.39255%0.549SS..Hα-helixtrans-66.4-36178.664.30000112.4T505 L506 T512 F513T505-S509 PolarHBondContact O-N 2.96Å; T505-S509 VanDerWaalsContact O-N 3.08Å; L506-S509 PolarHBondContact O-N 3.09Å; L506-S509 PolarHBondContact O-OG 3.34Å; S509-T512 PolarHBondContact O-OG1 3.31Å; S509-F513 PolarHBondContact O-N 3.01Å; S509-F513 VanDerWaalsContact O-N 3.17Å
510L44.7Very low53.2Low113 Ų113108.1 Ų108.159%0.59255%0.546SS*.Hα-helixtrans-69.4-38178.1-117.380.9000113.2L506 L508 F513 H514L506-L510 PolarHBondContact O-N 3Å; L508-L510 VanDerWaalsContact C-N 3.34Å; L508-L510 PolarHBondContact O-N 3.4Å; L510-F513 PolarHBondContact O-N 3.08Å; L510-H514 PolarHBondContact O-N 3.4Å
511S54.5Low54.2Low64 Ų64106.4 Ų106.445%0.44854%0.542SS..Hα-helixtrans-69.6-38.8179.468.10000112.1K507 L508 F513 H514 L515K507-S511 PolarHBondContact O-N 2.98Å; L508-S511 PolarHBondContact O-N 2.99Å; L508-S511 PolarHBondContact O-OG 3.44Å; L508-S511 VanDerWaalsContact O-OG 3.08Å; S511-F513 VanDerWaalsContact C-N 3.32Å; S511-F513 PolarHBondContact O-N 3.43Å; S511-H514 PolarHBondContact O-N 2.96Å; S511-L515 WeakPolarHBondContact O-CG 3.34Å; S511-L515 PolarHBondContact O-N 3.35Å
512T57.9Low55.5Low69 Ų69104.5 Ų104.542%0.42354%0.535SS..Hα-helixtrans-64.1-37.4173.856.90000112L508 S509 H514 L515 I516L508-T512 WeakPolarHBondContact O-CG2 3.45Å; L508-T512 PolarHBondContact O-N 3.1Å; L508-T512 PolarHBondContact O-OG1 3Å; S509-T512 PolarHBondContact O-OG1 3.31Å; T512-H514 PolarHBondContact O-N 2.89Å; T512-L515 PolarHBondContact O-N 3.48Å; T512-I516 WeakPolarHBondContact O-CD1 3.45Å; T512-I516 VanDerWaalsContact O-CG1 3.27Å; T512-I516 WeakPolarHBondContact O-CG1 3.48Å; T512-I516 PolarHBondContact O-N 2.97Å; T512-I516 VanDerWaalsContact O-N 3.07Å
513F61.8Low56.4Low153 Ų153103.8 Ų103.867%0.67154%0.537SS*.Hα-helixtrans-63.3-42177-138.8-89.8000112.5S509 L510 S511 W517S509-F513 PolarHBondContact O-N 3.01Å; S509-F513 VanDerWaalsContact O-N 3.17Å; L510-F513 PolarHBondContact O-N 3.08Å; S511-F513 VanDerWaalsContact C-N 3.32Å; S511-F513 PolarHBondContact O-N 3.43Å; F513-W517 PolarHBondContact O-N 3.25Å
514H59.1Low57.2Low141 Ų141108 Ų10865%0.65355%0.549SS*.Hα-helixtrans-66.5-37.6176.6-98.1-67000113.2L510 S511 T512 W517 L518L510-H514 PolarHBondContact O-N 3.4Å; S511-H514 PolarHBondContact O-N 2.96Å; T512-H514 PolarHBondContact O-N 2.89Å; H514-W517 PolarHBondContact O-N 3.06Å; H514-L518 PolarHBondContact O-N 3.43Å; H514-L518 VanDerWaalsContact O-N 3.08Å
515L61.9Low58.2Low112 Ų112109 Ų10959%0.58655%0.554SS**Hα-helixtrans-68.3-39.2177.9-72.9168.8000112.3S511 T512 W517 L518 H519S511-L515 WeakPolarHBondContact O-CG 3.34Å; S511-L515 PolarHBondContact O-N 3.35Å; T512-L515 PolarHBondContact O-N 3.48Å; L515-W517 VanDerWaalsContact C-N 3.33Å; L515-W517 PolarHBondContact O-N 2.92Å; L515-L518 PolarHBondContact O-N 2.74Å; L515-H519 PolarHBondContact O-N 3.37Å
516I69.6Low58.6Low101 Ų101110.9 Ų110.952%0.51856%0.556SS.*Hα-helixtrans-62.6-42.8175.6-67.4162.7000110.2T512 L518 H519 I520T512-I516 WeakPolarHBondContact O-CD1 3.45Å; T512-I516 VanDerWaalsContact O-CG1 3.27Å; T512-I516 WeakPolarHBondContact O-CG1 3.48Å; T512-I516 PolarHBondContact O-N 2.97Å; T512-I516 VanDerWaalsContact O-N 3.07Å; I516-L518 PolarHBondContact O-N 2.96Å; I516-H519 PolarHBondContact O-N 3.41Å; I516-I520 HydrophobicContact CG2-CD1 3.82Å; I516-I520 HydrophobicContact CG2-CG1 4.46Å; I516-I520 VanDerWaalsContact O-CG1 3.32Å; I516-I520 WeakPolarHBondContact O-CG1 3.48Å; I516-I520 PolarHBondContact O-N 3.29Å
517W61.8Low59.4Low167 Ų167115.1 Ų115.163%0.63357%0.566SS**Hα-helixtrans-66.3-38.1179.2-139.784000112.6F513 H514 L515 H519 I520 F521F513-W517 PolarHBondContact O-N 3.25Å; H514-W517 PolarHBondContact O-N 3.06Å; L515-W517 VanDerWaalsContact C-N 3.33Å; L515-W517 PolarHBondContact O-N 2.92Å; W517-H519 VanDerWaalsContact C-N 3.33Å; W517-H519 PolarHBondContact O-N 3Å; W517-I520 PolarHBondContact O-N 3.29Å; W517-F521 HydrophobicContact CZ3-CD2 4.11Å; W517-F521 WeakPolarHBondContact O-CB 3.34Å; W517-F521 PolarHBondContact O-N 3Å
518L66.1Low59.5Low121 Ų121113 Ų11363%0.63457%0.568SS**Hα-helixtrans-64.2-38.2174.8-149.893.3000111.9H514 L515 I516 T522H514-L518 PolarHBondContact O-N 3.43Å; H514-L518 VanDerWaalsContact O-N 3.08Å; L515-L518 PolarHBondContact O-N 2.74Å; I516-L518 PolarHBondContact O-N 2.96Å; L518-T522 WeakPolarHBondContact O-CG2 3.5Å; L518-T522 PolarHBondContact O-N 3.46Å; L518-T522 PolarHBondContact O-OG1 3.27Å
519H63.1Low59.8Low132 Ų132115.7 Ų115.761%0.61158%0.575SS**Hα-helixtrans-68.3-42.9175.7-105.5-68.1000112.4L515 I516 W517 F521 T522 S523L515-H519 PolarHBondContact O-N 3.37Å; I516-H519 PolarHBondContact O-N 3.41Å; W517-H519 VanDerWaalsContact C-N 3.33Å; W517-H519 PolarHBondContact O-N 3Å; H519-F521 VanDerWaalsContact C-N 3.32Å; H519-F521 PolarHBondContact O-N 2.93Å; H519-T522 WeakPolarHBondContact CA-OG1 3.47Å; H519-T522 PolarHBondContact O-N 3.47Å; H519-T522 PolarHBondContact O-OG1 3.32Å; H519-S523 WeakPolarHBondContact O-CB 3.45Å; H519-S523 PolarHBondContact O-N 2.93Å; H519-S523 PolarHBondContact O-OG 3.35Å
520I71.8Confident59.8Low100 Ų100120.7 Ų120.751%0.51360%0.602SS.*Hα-helixtrans-61.5-43.6176.3-66.5165.8000110.2I516 W517 S523 F524I516-I520 HydrophobicContact CG2-CD1 3.82Å; I516-I520 HydrophobicContact CG2-CG1 4.46Å; I516-I520 VanDerWaalsContact O-CG1 3.32Å; I516-I520 WeakPolarHBondContact O-CG1 3.48Å; I516-I520 PolarHBondContact O-N 3.29Å; W517-I520 PolarHBondContact O-N 3.29Å; I520-S523 PolarHBondContact O-N 3.03Å; I520-F524 WeakPolarHBondContact O-CB 3.34Å; I520-F524 PolarHBondContact O-N 3.39Å
521F63.2Low60.5Low116 Ų116121.1 Ų121.151%0.50960%0.603SS.*Hα-helixtrans-66.1-40.8-179.4-160.3-97.7000112.6W517 H519 F524 L525W517-F521 HydrophobicContact CZ3-CD2 4.11Å; W517-F521 WeakPolarHBondContact O-CB 3.34Å; W517-F521 PolarHBondContact O-N 3Å; H519-F521 VanDerWaalsContact C-N 3.32Å; H519-F521 PolarHBondContact O-N 2.93Å; F521-F524 PolarHBondContact O-N 2.92Å; F521-L525 HydrophobicContact CD1-CD1 3.71Å; F521-L525 HydrophobicContact CD1-CG 4.45Å; F521-L525 HydrophobicContact CE1-CD1 3.62Å; F521-L525 HydrophobicContact CE1-CG 4.33Å; F521-L525 WeakPolarHBondContact O-CG 3.38Å; F521-L525 PolarHBondContact O-N 3.49Å
522T66.3Low60.8Low72 Ų72124.1 Ų124.144%0.44261%0.611SS.*Hα-helixtrans-70.4-37.9176.6500000112.5L518 H519 L525 H526L518-T522 WeakPolarHBondContact O-CG2 3.5Å; L518-T522 PolarHBondContact O-N 3.46Å; L518-T522 PolarHBondContact O-OG1 3.27Å; H519-T522 WeakPolarHBondContact CA-OG1 3.47Å; H519-T522 PolarHBondContact O-N 3.47Å; H519-T522 PolarHBondContact O-OG1 3.32Å; T522-L525 PolarHBondContact O-N 2.92Å; T522-H526 WeakPolarHBondContact O-CB 3.32Å; T522-H526 PolarHBondContact O-N 2.97Å
523S62.5Low61Low73 Ų73127.1 Ų127.151%0.5162%0.621SS.*Hα-helixtrans-65.7-38.7172.5-71.20000112.5H519 I520 H526 Y527H519-S523 WeakPolarHBondContact O-CB 3.45Å; H519-S523 PolarHBondContact O-N 2.93Å; H519-S523 PolarHBondContact O-OG 3.35Å; I520-S523 PolarHBondContact O-N 3.03Å; S523-H526 PolarHBondContact O-N 3.31Å; S523-Y527 WeakPolarHBondContact O-CB 3.44Å; S523-Y527 PolarHBondContact O-N 3.25Å
524F62.9Low61Low145 Ų145125.6 Ų125.664%0.63662%0.619SS**Hα-helixtrans-66.5-41.5176.6-154.2-91.6000111.5I520 F521 H526 Y527 C528I520-F524 WeakPolarHBondContact O-CB 3.34Å; I520-F524 PolarHBondContact O-N 3.39Å; F521-F524 PolarHBondContact O-N 2.92Å; F524-H526 VanDerWaalsContact C-N 3.31Å; F524-H526 PolarHBondContact O-N 3.04Å; F524-Y527 PolarHBondContact O-N 3.31Å; F524-C528 PolarHBondContact O-N 3.38Å; F524-C528 VanDerWaalsContact O-N 3.09Å; F524-C528 PolarHBondContact O-SG 2.83Å
525L60.8Low61.1Low94 Ų94124.6 Ų124.649%0.49262%0.616SS.*Hα-helixtrans-62.9-36.6173.1-79.5167.4000112.5F521 T522 F529F521-L525 HydrophobicContact CD1-CD1 3.71Å; F521-L525 HydrophobicContact CD1-CG 4.45Å; F521-L525 HydrophobicContact CE1-CD1 3.62Å; F521-L525 HydrophobicContact CE1-CG 4.33Å; F521-L525 WeakPolarHBondContact O-CG 3.38Å; F521-L525 PolarHBondContact O-N 3.49Å; T522-L525 PolarHBondContact O-N 2.92Å; L525-F529 PolarHBondContact O-N 2.89Å
526H58.5Low61Low131 Ų131125.5 Ų125.561%0.60662%0.618SS**Hα-helixtrans-72.2-38.2177.6-154.223.4000112.1T522 S523 F524 C528 F529 V530T522-H526 WeakPolarHBondContact O-CB 3.32Å; T522-H526 PolarHBondContact O-N 2.97Å; S523-H526 PolarHBondContact O-N 3.31Å; F524-H526 VanDerWaalsContact C-N 3.31Å; F524-H526 PolarHBondContact O-N 3.04Å; H526-C528 VanDerWaalsContact C-N 3.31Å; H526-C528 PolarHBondContact O-N 3.45Å; H526-F529 WeakPolarHBondContact O-CB 3.28Å; H526-F529 PolarHBondContact O-N 3.48Å; H526-V530 PolarHBondContact O-N 2.65Å; H526-V530 VanDerWaalsContact O-N 3.13Å
527Y54.3Low60.4Low194 Ų194127.2 Ų127.276%0.76163%0.626SS**Hα-helixtrans-69.8-25.5177.8-149.1-87.6000113.3S523 F524 F529S523-Y527 WeakPolarHBondContact O-CB 3.44Å; S523-Y527 PolarHBondContact O-N 3.25Å; F524-Y527 PolarHBondContact O-N 3.31Å; Y527-F529 VanDerWaalsContact C-N 3.31Å
528C48Very low60.3Low97 Ų97124.2 Ų124.266%0.65563%0.625SS**THydrogen-bonded Turntrans-79.8-13.8170.3-69.10000113.3F524 H526F524-C528 PolarHBondContact O-N 3.38Å; F524-C528 VanDerWaalsContact O-N 3.09Å; F524-C528 PolarHBondContact O-SG 2.83Å; H526-C528 VanDerWaalsContact C-N 3.31Å; H526-C528 PolarHBondContact O-N 3.45Å
529F52.1Low59.8Low178 Ų178124.4 Ų124.478%0.78162%0.624SS**THydrogen-bonded Turntrans-95-26.6-179.2-117.7-82.6000113.2L525 H526 Y527L525-F529 PolarHBondContact O-N 2.89Å; H526-F529 WeakPolarHBondContact O-CB 3.28Å; H526-F529 PolarHBondContact O-N 3.48Å; Y527-F529 VanDerWaalsContact C-N 3.31Å
530V54.5Low59.5Low161 Ų161123.7 Ų123.798%0.97663%0.626SS**  trans-88.10172.7178.80000108.8H526H526-V530 PolarHBondContact O-N 2.65Å; H526-V530 VanDerWaalsContact O-N 3.13Å

Retrieved 530 of 530 residues in 178.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).