A0A087XCH8_POEFO Loading...

Synaptotagmin XIb

AlphaFold DB , UniProt , Accession A0A087XCH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 468 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46Very low47.5Very low246 Ų246148.5 Ų148.5100%1.21282%0.823SS**  0172.30-56.6-171.2-159.600108.1
2A41.7Very low48.5Very low88 Ų88145.1 Ų145.173%0.72783%0.829SS**  trans75.964.8-166.700000114.5
3D41.6Very low49.5Very low150 Ų150142.2 Ų142.280%0.80281%0.806SS**  54117.9114.4-44.3-14.1000119.5
4I47.3Very low51.1Low167 Ų167136.4 Ų136.486%0.85678%0.779SS**  trans-90.2124.3163.6-63.9171000107.9E6I4-E6 PolarHBondContact O-N 3.45Å
5I49.1Very low52.3Low149 Ų149134.7 Ų134.776%0.76477%0.774SS**  trans-84.2110.6176.4-61.8176.1000109.4L7I5-L7 PolarHBondContact O-N 3.19Å
6E44.5Very low53.4Low186 Ų186132.1 Ų132.187%0.86976%0.762SS**  trans-82.2110.4175.4-135.6179.7-174.100110.6I4 G8I4-E6 PolarHBondContact O-N 3.45Å; E6-G8 PolarHBondContact O-N 3.46Å
7L47.2Very low54.3Low165 Ų165129.4 Ų129.486%0.86474%0.743SS**  trans-84.386.8174.6-79.8167.9000110.4I5I5-L7 PolarHBondContact O-N 3.19Å
8G44.3Very low55.3Low64 Ų64125.2 Ų125.266%0.6673%0.726SS**PPolyproline II helixtrans-62.6141.117600000113.1E6 A10E6-G8 PolarHBondContact O-N 3.46Å; G8-A10 PolarHBondContact O-N 3.45Å
9P49.7Very low56.3Low132 Ų132121 Ų12186%0.85771%0.713SS**PPolyproline II helixtrans-71.2127.1-179.628.7-34.3000111.7
10A52.7Low57.5Low73 Ų73122.5 Ų122.560%0.60371%0.711SS**PPolyproline II helixtrans-73164.5175.400000112.8G8G8-A10 PolarHBondContact O-N 3.45Å
11Y58.8Low58.5Low213 Ų213121.4 Ų121.484%0.83570%0.701SS**  trans74.453.2170.3-43-67.3000117.4M13Y11-M13 PolarHBondContact O-N 2.86Å
12A58.9Low60.1Low108 Ų108111.7 Ų111.789%0.89367%0.665SS**  trans-65.980.315600000111.1S14A12-S14 PolarHBondContact O-N 2.94Å
13M62.3Low62Low108 Ų108110 Ų11053%0.53265%0.651SS.*  trans-65.1122.8174.7-79.3-74-77.600110.7Y11 L17 L21Y11-M13 PolarHBondContact O-N 2.86Å; M13-L17 HydrophobicContact CE-CD2 3.64Å; M13-L17 HydrophobicContact CE-CG 3.91Å; M13-L17 HydrophobicContact SD-CD2 3.94Å; M13-L21 HydrophobicContact CE-CD1 3.81Å
14S71.4Confident64.2Low61 Ų61104.8 Ų104.843%0.42763%0.632SS.*  trans-58.8135.3177.9173.60000111.3A12 V16 L17 A18A12-S14 PolarHBondContact O-N 2.94Å; S14-V16 PolarHBondContact O-N 3.47Å; S14-V16 VanDerWaalsContact O-N 3.14Å; S14-V16 PolarHBondContact OG-N 2.99Å; S14-L17 WeakPolarHBondContact O-CB 3.46Å; S14-L17 PolarHBondContact O-N 3.1Å; S14-A18 PolarHBondContact O-N 3.37Å; S14-A18 VanDerWaalsContact O-N 3.1Å
15P68.4Low66.3Low110 Ų110101.3 Ų101.371%0.71462%0.619SS**Hα-helixtrans-60.8-25.6179.724.3-34.1000112.8G19P15-G19 PolarHBondContact O-N 3.14Å
16V70.4Confident68.2Low94 Ų9499.7 Ų99.757%0.5761%0.611SS**Hα-helixtrans-64.1-43.5172.81800000111S14 G19 F20S14-V16 PolarHBondContact O-N 3.47Å; S14-V16 VanDerWaalsContact O-N 3.14Å; S14-V16 PolarHBondContact OG-N 2.99Å; V16-G19 PolarHBondContact O-N 3.09Å; V16-F20 HydrophobicContact CG1-CD2 4Å; V16-F20 HydrophobicContact CG1-CE2 3.7Å; V16-F20 VanDerWaalsContact O-CD2 3.24Å; V16-F20 WeakPolarHBondContact O-CD2 3.24Å; V16-F20 PolarHBondContact O-N 3.25Å; V16-F20 VanDerWaalsContact O-N 3.09Å
17L69Low70.4Confident86 Ų8695.3 Ų95.345%0.4560%0.597SS.*Hα-helixtrans-71-36.7-180-172.359.5000111.5M13 S14 G19 F20 L21M13-L17 HydrophobicContact CE-CD2 3.64Å; M13-L17 HydrophobicContact CE-CG 3.91Å; M13-L17 HydrophobicContact SD-CD2 3.94Å; S14-L17 WeakPolarHBondContact O-CB 3.46Å; S14-L17 PolarHBondContact O-N 3.1Å; L17-G19 VanDerWaalsContact C-N 3.32Å; L17-G19 PolarHBondContact O-N 3.38Å; L17-F20 PolarHBondContact O-N 3.49Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.39Å
18A72.4Confident72.6Confident53 Ų5392.9 Ų92.944%0.43858%0.584SS.*Hα-helixtrans-60.7-40.4169.900000112S14 L21 G22S14-A18 PolarHBondContact O-N 3.37Å; S14-A18 VanDerWaalsContact O-N 3.1Å; A18-L21 PolarHBondContact O-N 2.94Å; A18-G22 PolarHBondContact O-N 3.04Å
19G73.9Confident75Confident46 Ų4693.3 Ų93.347%0.47457%0.574SS.*Hα-helixtrans-60.6-46.3174.400000113.4P15 V16 L17 G22 A23P15-G19 PolarHBondContact O-N 3.14Å; V16-G19 PolarHBondContact O-N 3.09Å; L17-G19 VanDerWaalsContact C-N 3.32Å; L17-G19 PolarHBondContact O-N 3.38Å; G19-G22 PolarHBondContact O-N 2.97Å; G19-A23 WeakPolarHBondContact O-CB 3.4Å; G19-A23 PolarHBondContact O-N 3.36Å
20F79.4Confident77Confident151 Ų15190.7 Ų90.766%0.66256%0.555SS**Hα-helixtrans-64-39.7176.1-78.5-65.7000112.9V16 L17 A23 G24V16-F20 HydrophobicContact CG1-CD2 4Å; V16-F20 HydrophobicContact CG1-CE2 3.7Å; V16-F20 VanDerWaalsContact O-CD2 3.24Å; V16-F20 WeakPolarHBondContact O-CD2 3.24Å; V16-F20 PolarHBondContact O-N 3.25Å; V16-F20 VanDerWaalsContact O-N 3.09Å; L17-F20 PolarHBondContact O-N 3.49Å; F20-A23 PolarHBondContact O-N 2.95Å; F20-G24 PolarHBondContact O-N 3.46Å
21L79.4Confident79Confident99 Ų9990.9 Ų90.952%0.51855%0.549SS..Hα-helixtrans-63.5-44.9174.7-72.6166.8000111.6M13 L17 A18 A23 G24 V25M13-L21 HydrophobicContact CE-CD1 3.81Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.39Å; A18-L21 PolarHBondContact O-N 2.94Å; L21-A23 PolarHBondContact O-N 2.97Å; L21-G24 PolarHBondContact O-N 3.49Å; L21-V25 WeakPolarHBondContact O-CG2 3.48Å; L21-V25 PolarHBondContact O-N 3.35Å
22G80.5Confident80.7Confident43 Ų4384 Ų8444%0.44353%0.528SS..Hα-helixtrans-60.5-44175.800000113A18 G19 V25 L26A18-G22 PolarHBondContact O-N 3.04Å; G19-G22 PolarHBondContact O-N 2.97Å; G22-V25 PolarHBondContact O-N 3.47Å; G22-L26 WeakPolarHBondContact O-CB 3.45Å; G22-L26 PolarHBondContact O-N 3.46Å
23A81.1Confident82.3Confident53 Ų5383.8 Ų83.844%0.43851%0.512SS..Hα-helixtrans-63.6-42175.400000112.4G19 F20 L21 L26 V27G19-A23 WeakPolarHBondContact O-CB 3.4Å; G19-A23 PolarHBondContact O-N 3.36Å; F20-A23 PolarHBondContact O-N 2.95Å; L21-A23 PolarHBondContact O-N 2.97Å; A23-L26 PolarHBondContact O-N 3.31Å; A23-V27 WeakPolarHBondContact O-CG2 3.36Å; A23-V27 PolarHBondContact O-N 3.29Å
24G86.7Confident83.7Confident40 Ų4082.8 Ų82.841%0.41251%0.512SS..Hα-helixtrans-61.3-46176.100000112.8F20 L21 V27 L28F20-G24 PolarHBondContact O-N 3.46Å; L21-G24 PolarHBondContact O-N 3.49Å; G24-V27 PolarHBondContact O-N 3.42Å; G24-L28 WeakPolarHBondContact O-CB 3.37Å; G24-L28 PolarHBondContact O-N 3Å
25V91.5Very high84.7Confident94 Ų9484.3 Ų84.357%0.5752%0.515SS*.Hα-helixtrans-61.9-43.4175.6171.60000111.2L21 G22 V27 L28 V29L21-V25 WeakPolarHBondContact O-CG2 3.48Å; L21-V25 PolarHBondContact O-N 3.35Å; G22-V25 PolarHBondContact O-N 3.47Å; V25-V27 PolarHBondContact O-N 2.93Å; V25-L28 PolarHBondContact O-N 3.24Å; V25-V29 HydrophobicContact CG1-CG2 4.36Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 3.05Å
26L89Confident85.8Confident115 Ų11583.8 Ų83.860%0.60251%0.505SS*.Hα-helixtrans-60.1-46.1178.5-17666.9000112G22 A23 L28 V29 V30G22-L26 WeakPolarHBondContact O-CB 3.45Å; G22-L26 PolarHBondContact O-N 3.46Å; A23-L26 PolarHBondContact O-N 3.31Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.02Å; L26-V29 PolarHBondContact O-N 2.95Å; L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 3.06Å
27V91.4Very high86.8Confident94 Ų9488.3 Ų88.357%0.5751%0.512SS*.Hα-helixtrans-61.1-43.5176.3171.10000111A23 G24 V25 V30 V31A23-V27 WeakPolarHBondContact O-CG2 3.36Å; A23-V27 PolarHBondContact O-N 3.29Å; G24-V27 PolarHBondContact O-N 3.42Å; V25-V27 PolarHBondContact O-N 2.93Å; V27-V30 PolarHBondContact O-N 2.99Å; V27-V31 HydrophobicContact CG1-CG2 4.48Å; V27-V31 WeakPolarHBondContact O-CG2 3.42Å; V27-V31 PolarHBondContact O-N 3.42Å
28L92.7Very high87.6Confident114 Ų11486.4 Ų86.460%0.59751%0.506SS*.Hα-helixtrans-64.6-42.8-179.3-152162.2000111.3G24 V25 L26 V31 V32G24-L28 WeakPolarHBondContact O-CB 3.37Å; G24-L28 PolarHBondContact O-N 3Å; V25-L28 PolarHBondContact O-N 3.24Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.02Å; L28-V31 PolarHBondContact O-N 3.35Å; L28-V32 HydrophobicContact CD2-CG2 4.07Å; L28-V32 WeakPolarHBondContact O-CG2 3.36Å; L28-V32 PolarHBondContact O-N 3.47Å
29V94.4Very high88.4Confident73 Ų7390.1 Ų90.144%0.44251%0.512SS..Hα-helixtrans-60.8-45.6173.8170.20000111.7V25 L26 V31 V32 L33V25-V29 HydrophobicContact CG1-CG2 4.36Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 3.05Å; L26-V29 PolarHBondContact O-N 2.95Å; V29-V31 PolarHBondContact O-N 2.94Å; V29-V32 PolarHBondContact O-N 3.28Å; V29-L33 HydrophobicContact CG1-CD1 4.04Å; V29-L33 HydrophobicContact CG1-CG 4.47Å; V29-L33 WeakPolarHBondContact O-CG 3.33Å; V29-L33 PolarHBondContact O-N 3.46Å
30V92.4Very high88.9Confident77 Ų7792 Ų9247%0.46752%0.517SS..Hα-helixtrans-62.3-41.9177.7170.70000111.5L26 V27 L33 V34L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 3.06Å; V27-V30 PolarHBondContact O-N 2.99Å; V30-L33 PolarHBondContact O-N 3.5Å; V30-V34 HydrophobicContact CG1-CG2 4.5Å; V30-V34 WeakPolarHBondContact O-CG2 3.36Å; V30-V34 PolarHBondContact O-N 3.5Å
31V94.3Very high88.9Confident77 Ų7789.8 Ų89.847%0.46751%0.509SS..Hα-helixtrans-61.9-44.3175.7169.30000111.4V27 L28 V29 L33 V34 L35V27-V31 HydrophobicContact CG1-CG2 4.48Å; V27-V31 WeakPolarHBondContact O-CG2 3.42Å; V27-V31 PolarHBondContact O-N 3.42Å; L28-V31 PolarHBondContact O-N 3.35Å; V29-V31 PolarHBondContact O-N 2.94Å; V31-L33 PolarHBondContact O-N 3.38Å; V31-V34 PolarHBondContact O-N 3.3Å; V31-L35 HydrophobicContact CG1-CD1 3.99Å; V31-L35 WeakPolarHBondContact O-CB 3.4Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 2.97Å
32V94.4Very high88.8Confident67 Ų6793.1 Ų93.141%0.40652%0.515SS..Hα-helixtrans-62.4-43176.6170.20000111.4L28 V29 L35 L36L28-V32 HydrophobicContact CD2-CG2 4.07Å; L28-V32 WeakPolarHBondContact O-CG2 3.36Å; L28-V32 PolarHBondContact O-N 3.47Å; V29-V32 PolarHBondContact O-N 3.28Å; V32-L35 PolarHBondContact O-N 2.88Å; V32-L36 HydrophobicContact CG1-CD1 3.9Å; V32-L36 HydrophobicContact CG1-CG 4.35Å; V32-L36 WeakPolarHBondContact O-CB 3.39Å; V32-L36 WeakPolarHBondContact O-CG 3.42Å; V32-L36 PolarHBondContact O-N 2.97Å
33L94.1Very high88.7Confident105 Ų10599.8 Ų99.855%0.5553%0.527SS..Hα-helixtrans-62.9-42.8176.9-72.5173.3000112.5V29 V30 V31 L35 L36 W37V29-L33 HydrophobicContact CG1-CD1 4.04Å; V29-L33 HydrophobicContact CG1-CG 4.47Å; V29-L33 WeakPolarHBondContact O-CG 3.33Å; V29-L33 PolarHBondContact O-N 3.46Å; V30-L33 PolarHBondContact O-N 3.5Å; V31-L33 PolarHBondContact O-N 3.38Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 3.34Å; L33-L36 PolarHBondContact O-N 2.9Å; L33-W37 WeakPolarHBondContact O-CB 3.33Å; L33-W37 PolarHBondContact O-N 3.38Å
34V91.2Very high88.3Confident87 Ų87104.9 Ų104.953%0.52754%0.536SS..Hα-helixtrans-65.8-36.7176.4170.60000111.7V30 V31 S38V30-V34 HydrophobicContact CG1-CG2 4.5Å; V30-V34 WeakPolarHBondContact O-CG2 3.36Å; V30-V34 PolarHBondContact O-N 3.5Å; V31-V34 PolarHBondContact O-N 3.3Å; V34-S38 WeakPolarHBondContact O-CB 3.47Å; V34-S38 PolarHBondContact O-N 3.28Å; V34-S38 PolarHBondContact O-OG 2.83Å
35L92.3Very high87.4Confident93 Ų93108 Ų10849%0.48754%0.542SS..Hα-helixtrans-67.1-46.5173.9-72.6171.4000111.6V31 V32 L33 W37 S38 F39V31-L35 HydrophobicContact CG1-CD1 3.99Å; V31-L35 WeakPolarHBondContact O-CB 3.4Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 2.97Å; V32-L35 PolarHBondContact O-N 2.88Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 3.34Å; L35-W37 PolarHBondContact O-N 3.2Å; L35-S38 WeakPolarHBondContact O-CB 3.31Å; L35-S38 PolarHBondContact O-N 3.5Å; L35-S38 VanDerWaalsContact O-N 3.16Å; L35-F39 WeakPolarHBondContact O-CD2 3.49Å; L35-F39 PolarHBondContact O-N 2.88Å
36L92.3Very high86.2Confident99 Ų99112.2 Ų112.252%0.51855%0.548SS..Hα-helixtrans-59.7-46.8176.3-73170.6000111.5V32 L33 S38 F39 C40V32-L36 HydrophobicContact CG1-CD1 3.9Å; V32-L36 HydrophobicContact CG1-CG 4.35Å; V32-L36 WeakPolarHBondContact O-CB 3.39Å; V32-L36 WeakPolarHBondContact O-CG 3.42Å; V32-L36 PolarHBondContact O-N 2.97Å; L33-L36 PolarHBondContact O-N 2.9Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.16Å; L36-F39 PolarHBondContact O-N 3.42Å; L36-C40 WeakPolarHBondContact O-CB 3.35Å; L36-C40 PolarHBondContact O-N 2.87Å; L36-C40 PolarHBondContact O-SG 3.38Å
37W90.4Very high85.2Confident189 Ų189110.8 Ų110.872%0.71654%0.543SS*.Hα-helixtrans-54.6-48.6172.3-176.6-62.9000111.1L33 L35 F39 C40 Q41L33-W37 WeakPolarHBondContact O-CB 3.33Å; L33-W37 PolarHBondContact O-N 3.38Å; L35-W37 PolarHBondContact O-N 3.2Å; W37-F39 VanDerWaalsContact C-N 3.33Å; W37-F39 PolarHBondContact O-N 3.4Å; W37-C40 PolarHBondContact O-N 3.14Å; W37-Q41 WeakPolarHBondContact O-CB 3.44Å; W37-Q41 PolarHBondContact O-N 2.97Å
38S85.7Confident83.8Confident45 Ų45109.7 Ų109.732%0.31554%0.537SS..Hα-helixtrans-61.2-38.4179.4-62.50000112.6V34 L35 L36 R42V34-S38 WeakPolarHBondContact O-CB 3.47Å; V34-S38 PolarHBondContact O-N 3.28Å; V34-S38 PolarHBondContact O-OG 2.83Å; L35-S38 WeakPolarHBondContact O-CB 3.31Å; L35-S38 PolarHBondContact O-N 3.5Å; L35-S38 VanDerWaalsContact O-N 3.16Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.16Å; S38-R42 VanDerWaalsContact O-CB 3.29Å; S38-R42 WeakPolarHBondContact O-CB 3.46Å; S38-R42 WeakPolarHBondContact O-CG 3.23Å; S38-R42 PolarHBondContact O-N 3.01Å
39F88.6Confident81.7Confident132 Ų132106.9 Ų106.958%0.57954%0.536SS*.Hα-helixtrans-69.6-43.4174.6-89.3-75.9000112.2L35 L36 W37 R42 R43L35-F39 WeakPolarHBondContact O-CD2 3.49Å; L35-F39 PolarHBondContact O-N 2.88Å; L36-F39 PolarHBondContact O-N 3.42Å; W37-F39 VanDerWaalsContact C-N 3.33Å; W37-F39 PolarHBondContact O-N 3.4Å; F39-R42 CarbonylContact O-C 3.58Å; F39-R42 PolarHBondContact O-N 3Å; F39-R43 WeakPolarHBondContact O-CB 3.22Å; F39-R43 PolarHBondContact O-N 3.11Å
40C84.7Confident79.1Confident86 Ų86114.6 Ų114.658%0.58156%0.557SS**Hα-helixtrans-60.8-45.9174.8-73.70000111.6L36 W37 R43 Y44L36-C40 WeakPolarHBondContact O-CB 3.35Å; L36-C40 PolarHBondContact O-N 2.87Å; L36-C40 PolarHBondContact O-SG 3.38Å; W37-C40 PolarHBondContact O-N 3.14Å; C40-R43 PolarHBondContact O-N 2.87Å; C40-R43 VanDerWaalsContact O-N 3.11Å; C40-Y44 WeakPolarHBondContact O-CB 3.38Å; C40-Y44 PolarHBondContact O-N 3.25Å
41Q80.2Confident76.5Confident104 Ų104119.9 Ų119.949%0.48657%0.57SS.*Hα-helixtrans-64-41.6176.9-168.4172.3-0.700111.9W37 R43 Y44 L45W37-Q41 WeakPolarHBondContact O-CB 3.44Å; W37-Q41 PolarHBondContact O-N 2.97Å; Q41-R43 VanDerWaalsContact C-N 3.29Å; Q41-R43 PolarHBondContact O-N 3.42Å; Q41-Y44 PolarHBondContact O-N 3.05Å; Q41-L45 HydrophobicContact CG-CD1 4.3Å; Q41-L45 WeakPolarHBondContact O-CB 3.22Å; Q41-L45 VanDerWaalsContact O-CG 3.31Å; Q41-L45 WeakPolarHBondContact O-CG 3.29Å; Q41-L45 PolarHBondContact O-N 2.76Å
42R77.8Confident73.7Confident169 Ų169125.9 Ų125.964%0.63859%0.59SS**Hα-helixtrans-70.1-18172.5-74.2176.6179.3-166.12.4114.4S38 F39 R46S38-R42 VanDerWaalsContact O-CB 3.29Å; S38-R42 WeakPolarHBondContact O-CB 3.46Å; S38-R42 WeakPolarHBondContact O-CG 3.23Å; S38-R42 PolarHBondContact O-N 3.01Å; F39-R42 CarbonylContact O-C 3.58Å; F39-R42 PolarHBondContact O-N 3Å; R42-R46 PolarHBondContact O-NE 2.97Å
43R77.8Confident70.9Confident183 Ų183131 Ų13169%0.69161%0.614SS**Hα-helixtrans-84.4-47.5172-171.1176-178.5175.80.1110.1F39 C40 Q41 L45 R46 V47F39-R43 WeakPolarHBondContact O-CB 3.22Å; F39-R43 PolarHBondContact O-N 3.11Å; C40-R43 PolarHBondContact O-N 2.87Å; C40-R43 VanDerWaalsContact O-N 3.11Å; Q41-R43 VanDerWaalsContact C-N 3.29Å; Q41-R43 PolarHBondContact O-N 3.42Å; R43-L45 PolarHBondContact O-N 3.36Å; R43-R46 PolarHBondContact O-N 2.83Å; R43-V47 WeakPolarHBondContact O-CG2 3.33Å; R43-V47 PolarHBondContact O-N 3.49Å
44Y73.3Confident68.1Low160 Ų160135.5 Ų135.563%0.62763%0.632SS**Hα-helixtrans-52.5-53.7174179.7-102.1000111.5C40 Q41 R46 V47 T48C40-Y44 WeakPolarHBondContact O-CB 3.38Å; C40-Y44 PolarHBondContact O-N 3.25Å; Q41-Y44 PolarHBondContact O-N 3.05Å; Y44-R46 PolarHBondContact O-N 3.08Å; Y44-V47 PolarHBondContact O-N 3.45Å; Y44-T48 HydrophobicContact CD2-CG2 4.24Å; Y44-T48 HydrophobicContact CE1-CG2 4.2Å; Y44-T48 HydrophobicContact CE2-CG2 3.85Å; Y44-T48 PolarHBondContact O-N 3.01Å; Y44-T48 PolarHBondContact O-OG1 2.66Å; Y44-T48 VanDerWaalsContact O-OG1 3.13Å
45L66.3Low65.1Low104 Ų104135.1 Ų135.155%0.54565%0.646SS.*Hα-helixtrans-62.1-23.3177.9-70.2169.2000114.2Q41 R43 G49Q41-L45 HydrophobicContact CG-CD1 4.3Å; Q41-L45 WeakPolarHBondContact O-CB 3.22Å; Q41-L45 VanDerWaalsContact O-CG 3.31Å; Q41-L45 WeakPolarHBondContact O-CG 3.29Å; Q41-L45 PolarHBondContact O-N 2.76Å; R43-L45 PolarHBondContact O-N 3.36Å; L45-G49 WeakPolarHBondContact O-CA 3.45Å; L45-G49 PolarHBondContact O-N 3.22Å
46R67Low62.2Low184 Ų184137.2 Ų137.269%0.69466%0.657SS**Hα-helixtrans-83.1-28.1173.3-86.8-172.3-72168.3-3.4113.2R42 R43 Y44R42-R46 PolarHBondContact O-NE 2.97Å; R43-R46 PolarHBondContact O-N 2.83Å; Y44-R46 PolarHBondContact O-N 3.08Å
47V67.8Low59.3Low84 Ų84142.4 Ų142.451%0.50967%0.67SS.*Hα-helixtrans-79.9-45177173.40000110.7R43 Y44 G49 Y51R43-V47 WeakPolarHBondContact O-CG2 3.33Å; R43-V47 PolarHBondContact O-N 3.49Å; Y44-V47 PolarHBondContact O-N 3.45Å; V47-G49 VanDerWaalsContact C-N 3.3Å; V47-G49 PolarHBondContact O-N 2.92Å; V47-Y51 PolarHBondContact O-OH 2.96Å
48T62.4Low56.7Low72 Ų72144 Ų14444%0.44268%0.677SS.*SBendtrans-76.7-17.5178.459.10000113.5Y44 R50Y44-T48 HydrophobicContact CD2-CG2 4.24Å; Y44-T48 HydrophobicContact CE1-CG2 4.2Å; Y44-T48 HydrophobicContact CE2-CG2 3.85Å; Y44-T48 PolarHBondContact O-N 3.01Å; Y44-T48 PolarHBondContact O-OG1 2.66Å; Y44-T48 VanDerWaalsContact O-OG1 3.13Å; T48-R50 PolarHBondContact O-N 3.32Å
49G48.8Very low54.1Low55 Ų55148 Ų14857%0.56770%0.704SS**SBendtrans-93.221.9-165.700000117.8L45 V47L45-G49 WeakPolarHBondContact O-CA 3.45Å; L45-G49 PolarHBondContact O-N 3.22Å; V47-G49 VanDerWaalsContact C-N 3.3Å; V47-G49 PolarHBondContact O-N 2.92Å
50R40.1Very low51.8Low234 Ų234149.5 Ų149.588%0.88372%0.718SS**  trans-15862.1175.9-123.8176.6-161.5-1563.4117.5T48T48-R50 PolarHBondContact O-N 3.32Å
51Y37.5Very low49.4Very low189 Ų189149.5 Ų149.574%0.74173%0.725SS**  trans-126.395.4161.8-41.4-76.2000111.2V47V47-Y51 PolarHBondContact O-OH 2.96Å
52K34.9Very low47.4Very low202 Ų202153.8 Ų153.888%0.87875%0.745SS**  trans-17899.6154.1-106.5170-174.8-175.50110
53L35.4Very low45.3Very low176 Ų176153.1 Ų153.192%0.92175%0.754SS**  trans-111.1146.5149.9-83.2165.5000106.2
54H35.3Very low43.2Very low198 Ų198147.8 Ų147.892%0.91774%0.743SS**  trans-73.9144.6177-84.1-3.1000111.6
55G29.1Very low41.5Very low80 Ų80146.2 Ų146.283%0.82575%0.752SS**  trans-136.7143.316000000107.2
56D30.1Very low39.8Very low137 Ų137150.1 Ų150.173%0.73376%0.761SS**  trans-98.1161.9-167.9-178.134.4000112.7
57R32.9Very low38.2Very low207 Ų207147.1 Ų147.178%0.78175%0.753SS**  trans84.3133.1163.2-48.7-165.3173.2-169.9-7.6120.6
58Y35.9Very low36.8Very low222 Ų222150.8 Ų150.887%0.87176%0.762SS**  trans50.7105148.2-99-95.7000118.6
59C31.4Very low35.7Very low129 Ų129152 Ų15287%0.87277%0.765SS**  -160.9148112.8-114.60000110.2
60D39.5Very low35.4Very low164 Ų164152.7 Ų152.788%0.87775%0.753SS**  trans-89.9134.5174.9-163.14.2000109.5
61A33.2Very low35.4Very low87 Ų87146.7 Ų146.772%0.71974%0.737SS**  trans-165132.1179.300000110.3D63A61-D63 PolarHBondContact O-N 3.17Å
62E38.8Very low35.5Very low194 Ų194143.9 Ų143.991%0.90773%0.734SS**PPolyproline II helixtrans-69.1126.7-177-59.9-170.4145.600112.5P64E62-P64 WeakPolarHBondContact O-CD 3.42Å
63D34.8Very low35.8Very low155 Ų155143.7 Ų143.783%0.82973%0.733SS**PPolyproline II helixtrans-73.2116.2171.5-105.7-33.1000110.1A61A61-D63 PolarHBondContact O-N 3.17Å
64P32.4Very low36Very low71 Ų71139.2 Ų139.246%0.46173%0.729SS.*PPolyproline II helixtrans-70.8145.217330.4-34.1000110.1E62 Y66E62-P64 WeakPolarHBondContact O-CD 3.42Å; P64-Y66 HydrophobicContact CG-CD2 4.21Å; P64-Y66 HydrophobicContact CG-CE2 3.73Å; P64-Y66 WeakPolarHBondContact O-CD2 3.45Å; P64-Y66 PolarHBondContact O-N 3.43Å
65P37.1Very low36.1Very low127 Ų127136.6 Ų136.683%0.82572%0.72SS**  trans-72.487.7-17228.7-35.8000112.3K67P65-K67 VanDerWaalsContact C-N 3.28Å; P65-K67 PolarHBondContact O-N 3.21Å
66Y32.4Very low36.6Very low185 Ų185137 Ų13773%0.72571%0.711SS**  trans-67.681.9173.9-82.2-75.6000111.8P64 F68P64-Y66 HydrophobicContact CG-CD2 4.21Å; P64-Y66 HydrophobicContact CG-CE2 3.73Å; P64-Y66 WeakPolarHBondContact O-CD2 3.45Å; P64-Y66 PolarHBondContact O-N 3.43Å; Y66-F68 WeakPolarHBondContact O-CD2 3.3Å; Y66-F68 PolarHBondContact O-N 2.92Å; Y66-F68 VanDerWaalsContact O-N 3.1Å
67K33Very low37.2Very low122 Ų122134.9 Ų134.953%0.5370%0.698SS.*  trans-68.4103172.8-163.5165.3-167161.40109.7P65 I69P65-K67 VanDerWaalsContact C-N 3.28Å; P65-K67 PolarHBondContact O-N 3.21Å; K67-I69 PolarHBondContact O-N 3.17Å
68F38.3Very low37.5Very low160 Ų160131.5 Ų131.570%0.70269%0.687SS**  trans-6987.8-178-81.1-90.4000112Y66 H70Y66-F68 WeakPolarHBondContact O-CD2 3.3Å; Y66-F68 PolarHBondContact O-N 2.92Å; Y66-F68 VanDerWaalsContact O-N 3.1Å; F68-H70 PolarHBondContact O-CD2 2.88Å; F68-H70 PolarHBondContact O-N 3.26Å
69I38.3Very low37.4Very low98 Ų98125.8 Ų125.850%0.50368%0.677SS.*BIsolated β-bridgetrans-79.7107.5172.4-57.8173.1000108.6K67 M71K67-I69 PolarHBondContact O-N 3.17Å; I69-M71 VanDerWaalsContact C-N 3.25Å; I69-M71 HydrophobicContact CG2-CB 4.26Å; I69-M71 HydrophobicContact CG2-CE 4.4Å; I69-M71 PolarHBondContact O-N 3.12Å
70H43.1Very low38Very low70 Ų70129.4 Ų129.432%0.32468%0.681SS.*  trans-74.273.8178.4-77.3-94.8000111.9F68 L72 I77F68-H70 PolarHBondContact O-CD2 2.88Å; F68-H70 PolarHBondContact O-N 3.26Å; H70-L72 PolarHBondContact O-N 3.21Å; H70-I77 WeakPolarHBondContact ND1-CD1 3.37Å
71M40.7Very low38.1Very low108 Ų108125.8 Ų125.853%0.53267%0.669SS.*  trans-89.659.5-173.2-153.1-170.1-35.600113.1I69 Y268I69-M71 VanDerWaalsContact C-N 3.25Å; I69-M71 HydrophobicContact CG2-CB 4.26Å; I69-M71 HydrophobicContact CG2-CE 4.4Å; I69-M71 PolarHBondContact O-N 3.12Å; M71-Y268 WeakPolarHBondContact CG-OH 3.37Å
72L38.4Very low38.4Very low129 Ų129129.9 Ų129.968%0.67568%0.677SS**  trans-127.1148.1178.6-78.9176.7000115.1H70 G74 I77H70-L72 PolarHBondContact O-N 3.21Å; L72-G74 PolarHBondContact O-N 3.13Å; L72-I77 HydrophobicContact CD1-CG2 3.75Å
73K42.6Very low38.3Very low198 Ų198126.7 Ų126.786%0.86168%0.676SS**SBendtrans-86.174.7-161.4-162.2176.1-173.8178.30112.1I75K73-I75 PolarHBondContact O-N 3.34Å
74G39.4Very low38.6Very low82 Ų82122.8 Ų122.885%0.84567%0.673SS**SBendtrans70.422.3164.900000116.9L72L72-G74 PolarHBondContact O-N 3.13Å
75I37.7Very low38.7Very low143 Ų143124.4 Ų124.473%0.73369%0.686SS**  trans-124.7137.2179.6-62175.2000109.4K73 I77K73-I75 PolarHBondContact O-N 3.34Å; I75-I77 PolarHBondContact O-N 3.06Å
76S39.3Very low38.9Very low89 Ų89127.8 Ų127.862%0.62269%0.688SS**  trans-62.9127.5174.3177.80000111Y78S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact OG-N 3.17Å
77I42.5Very low38.9Very low92 Ų92129.5 Ų129.547%0.47269%0.693SS.*SBendtrans-84.6-1.4176.558.5170.3000113.8H70 L72 I75 P79H70-I77 WeakPolarHBondContact ND1-CD1 3.37Å; L72-I77 HydrophobicContact CD1-CG2 3.75Å; I75-I77 PolarHBondContact O-N 3.06Å; I77-P79 WeakPolarHBondContact O-CD 3.31Å
78Y38.3Very low38.9Very low137 Ų137130.9 Ų130.954%0.53771%0.705SS.*SBendtrans-89.9115.9171.9-67.9-76.5000110.2S76 E80S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact OG-N 3.17Å; Y78-E80 PolarHBondContact O-N 3.13Å
79P35Very low38.4Very low102 Ų102129.5 Ų129.566%0.66271%0.709SS**  trans-76.2120.1178.329.8-33.6000111.3I77 S81I77-P79 WeakPolarHBondContact O-CD 3.31Å; P79-S81 PolarHBondContact O-N 2.84Å
80E43.4Very low38Very low204 Ų204135.5 Ų135.595%0.95373%0.725SS**SBendtrans-75.359.8173.7-64.8-163.7161.700112.1Y78Y78-E80 PolarHBondContact O-N 3.13Å
81S41.4Very low37.2Very low89 Ų89135.4 Ų135.462%0.62274%0.743SS**  trans-139.522.6-173.265.60000116P79P79-S81 PolarHBondContact O-N 2.84Å
82L39.3Very low36.7Very low172 Ų172137.3 Ų137.390%0.90175%0.754SS**SBendtrans-128.833.7174.3-72.3179000115.2
83S38Very low36.3Very low127 Ų127142.9 Ų142.989%0.88877%0.766SS**  trans-125.332.9166.5-152.60000113.4
84G39.2Very low35.5Very low74 Ų74144.8 Ų144.876%0.76377%0.768SS**  trans-99.326.3-17800000115.4K86G84-K86 PolarHBondContact O-N 3.01Å
85S35Very low35.1Very low105 Ų105145.5 Ų145.573%0.73477%0.766SS**  trans-77.393.6-171.3-1620000113R87S85-R87 VanDerWaalsContact C-N 3.29Å; S85-R87 PolarHBondContact O-N 3.17Å
86K41.2Very low34.7Very low198 Ų198146.4 Ų146.486%0.86177%0.772SS**  trans-66.483164.8-75.9-175.8176.1-179.90110.7G84 I88G84-K86 PolarHBondContact O-N 3.01Å; K86-I88 PolarHBondContact O-N 2.93Å; K86-I88 VanDerWaalsContact O-N 3.1Å
87R32.5Very low34.2Very low221 Ų221152.8 Ų152.883%0.83478%0.783SS**  trans-73.596.9166.4-90.1-168.6169.6-169.3-2.3110.6S85 V89S85-R87 VanDerWaalsContact C-N 3.29Å; S85-R87 PolarHBondContact O-N 3.17Å; R87-V89 PolarHBondContact O-N 3.31Å
88I32.8Very low33.7Very low151 Ų151153.9 Ų153.977%0.77480%0.798SS**  trans-67110.3163.6-62171.9000107.8K86 R90K86-I88 PolarHBondContact O-N 2.93Å; K86-I88 VanDerWaalsContact O-N 3.1Å; I88-R90 PolarHBondContact O-N 3.02Å; I88-R90 VanDerWaalsContact O-N 3.09Å
89V29.1Very low33.3Very low131 Ų131155.6 Ų155.679%0.79481%0.811SS**  trans-79.690.3175-178.50000109.3R87 G91R87-V89 PolarHBondContact O-N 3.31Å; V89-G91 PolarHBondContact O-N 3.41Å
90R29.6Very low33.1Very low224 Ų224162.5 Ų162.585%0.84582%0.824SS**  trans-7498.2159.1-86.3-174.9170.1169.7-2.9108.4I88 I92I88-R90 PolarHBondContact O-N 3.02Å; I88-R90 VanDerWaalsContact O-N 3.09Å; R90-I92 PolarHBondContact O-N 3.47Å
91G26.6Very low32.5Very low68 Ų68160.9 Ų160.970%0.70182%0.822SS**  trans-70.988.2177.400000112.4V89 R93V89-G91 PolarHBondContact O-N 3.41Å; G91-R93 PolarHBondContact O-N 3.43Å
92I30.4Very low32Very low148 Ų148160 Ų16076%0.75983%0.827SS**  trans-81.699.6165-61.3175.3000107.5R90 R94R90-I92 PolarHBondContact O-N 3.47Å; I92-R94 PolarHBondContact O-N 3.07Å
93R28.5Very low31.6Very low245 Ų245161.6 Ų161.693%0.92583%0.83SS**  trans-71.1112.9163.9-70.9-178.4175.6174.9-2.6107.8G91G91-R93 PolarHBondContact O-N 3.43Å
94R27.3Very low31.3Very low239 Ų239167.5 Ų167.590%0.90283%0.833SS**PPolyproline II helixtrans-73131.3157.1-79.8-175.6168.1132-2.8107.3I92I92-R94 PolarHBondContact O-N 3.07Å
95A30Very low30.8Very low96 Ų96168 Ų16879%0.79384%0.838SS**PPolyproline II helixtrans-70.9142.1168.600000109.1
96D30Very low30.5Very low162 Ų162166.9 Ų166.987%0.86684%0.843SS**PPolyproline II helixtrans-74.5157.9162.7-158.6-6.1000109.3
97R29.1Very low29.9Very low224 Ų224163 Ų16385%0.84584%0.841SS**  trans-131.584.7-168.3-167.8-175.3-173.7-169.40.7111.6
98S30.5Very low29.7Very low115 Ų115157.4 Ų157.480%0.80484%0.841SS**  trans-109.5141.4164.453.70000110.7
99E31.2Very low29.5Very low173 Ų173154.1 Ų154.181%0.80885%0.845SS**  trans-94.2143-177.5-63.3167.713600111.2
100R30.4Very low29.5Very low247 Ų247151.7 Ų151.793%0.93285%0.846SS**  trans-171.6153.6142-103.2159.9-155.3-1462.7111.3
101D31.6Very low29.4Very low169 Ų169145.8 Ų145.890%0.90485%0.846SS**  trans-77.6161.1-170.1-48.9-91.6000114
102G30.1Very low29.6Very low71 Ų71147.7 Ų147.773%0.73286%0.855SS**  trans174.454.9179.700000119.1
103E31Very low29.5Very low205 Ų205144.2 Ų144.296%0.95886%0.855SS**  trans59.5-170.2153.3-56.8-159.797.500120.5
104R30.7Very low29.6Very low252 Ų252144.7 Ų144.795%0.95186%0.857SS**  trans-125.6148.2-158.7-77.1173159.3174.5-6114.1
105G29.3Very low29.6Very low84 Ų84137.1 Ų137.187%0.86685%0.854SS**  trans118.1165.7140.800000117
106G29.3Very low29.5Very low82 Ų82140.7 Ų140.785%0.84586%0.856SS**  trans120.882.4161.600000117.9
107S28.1Very low29.3Very low117 Ų117139.2 Ų139.282%0.81885%0.852SS**  trans-37.1145.8166.3-157.80000119.7
108A29.1Very low29.2Very low102 Ų102136.3 Ų136.384%0.84385%0.853SS**  trans58.8140.3137.500000124.4
109G28.4Very low29Very low83 Ų83137.3 Ų137.386%0.85685%0.854SS**  trans128.8151.1143.400000117.5
110G27.3Very low28.8Very low79 Ų79136.5 Ų136.581%0.81486%0.855SS**  trans111.468.3150.700000120.1
111A28.3Very low29Very low101 Ų101128.6 Ų128.684%0.83584%0.842SS**  trans-1.1165.114900000124.2
112A31.1Very low28.9Very low108 Ų108128.9 Ų128.989%0.89384%0.838SS**  trans73.6145.7166.800000117.6
113G28.8Very low28.9Very low75 Ų75132.5 Ų132.577%0.77384%0.841SS**  cis155.985-400000112
114R29.3Very low28.8Very low255 Ų255130 Ų13096%0.96283%0.834SS**  trans-93.8101.2179-83.8-174.5169.5-178.9-2.7112
115G27.3Very low28.7Very low80 Ų80125.2 Ų125.283%0.82583%0.826SS**  trans-76.6144.5161.500000111.5
116M27.8Very low28.7Very low171 Ų171128 Ų12884%0.84282%0.82SS**  trans-134.1125.9176.8174.1-176.769.800108
117V27.1Very low28.6Very low131 Ų131130.2 Ų130.279%0.79481%0.813SS**  trans-138127.5174-178.40000109.4V119V117-V119 HydrophobicContact CG1-CG2 4.03Å
118L25.6Very low28.6Very low162 Ų162130.6 Ų130.685%0.84881%0.81SS**  trans-98.6144.7161.5-76153.9000107.6
119V28Very low29.4Very low137 Ų137131.8 Ų131.883%0.8381%0.809SS**  trans-137.1138.8158.1-1730000107.5V117V117-V119 HydrophobicContact CG1-CG2 4.03Å
120D26.8Very low29.4Very low156 Ų156131.6 Ų131.683%0.83481%0.806SS**  trans-93.3177.8-177.8-147.4-21.8000111.5
121A33.3Very low29.5Very low80 Ų80137 Ų13766%0.66181%0.811SS**  trans-90.3157.3171.800000112.1
122E30.1Very low29.5Very low176 Ų176140 Ų14082%0.82281%0.812SS**  -179.7169.5127.2-104.8-174.8172.600114.9
123N30.7Very low29.4Very low147 Ų147143.2 Ų143.279%0.78681%0.808SS**  trans91.5142.4160.7-64.8-54.7000121.7
124N27.7Very low29.3Very low152 Ų152148.5 Ų148.581%0.81382%0.815SS**  trans-103.9170.2178.2-66.3-72.3000110.7
125I29.5Very low29.3Very low152 Ų152142.3 Ų142.378%0.77981%0.811SS**  169.7129.7115.8-87.5166.5000113
126L29.2Very low29.4Very low143 Ų143146.1 Ų146.175%0.74981%0.807SS**  trans37.6142.8151.3-60.6171.6000125.6
127D26.8Very low29.4Very low128 Ų128146.5 Ų146.568%0.68481%0.811SS**  trans54125.5142.1-64.4-19000122.2
128V29.3Very low29.9Very low125 Ų125145.2 Ų145.276%0.75880%0.803SS**  cis92.9136.248.4159.40000112.8
129P44.6Very low30.5Very low127 Ų127142.6 Ų142.683%0.82580%0.796SS**  cis-126.7-173.4-30.537.7-19.6000112.7
130G28.8Very low30.9Very low78 Ų78142.4 Ų142.480%0.80480%0.798SS**  trans-175.9126.8166.400000116.1
131Q28.4Very low31.1Very low194 Ų194140.9 Ų140.991%0.90780%0.8SS**  trans-84.5151.9164.1-70.3175.2-8100110.5
132L29.9Very low30.9Very low164 Ų164140.3 Ų140.386%0.85980%0.802SS**  trans-158.3169.9134.1-111.1170.7000111.3
133Q28.4Very low31Very low174 Ų174138.1 Ų138.181%0.81381%0.806SS**  trans-93.1165.6-152.7-69.7164.1-64.600116.4
134M26.6Very low31Very low186 Ų186134.7 Ų134.792%0.91681%0.805SS**  trans-27.5147.4161.4-62.9164.1162.600116.8
135S29.7Very low31.7Very low126 Ų126133.6 Ų133.688%0.88181%0.806SS**  trans-129133.8143.262.50000110.5
136H28Very low31.7Very low160 Ų160131.1 Ų131.174%0.74181%0.808SS**  trans-98.1137.6-168.5-167.3-109.1000110V138H136-V138 WeakPolarHBondContact CE1-CG2 3.43Å
137L29.7Very low31.8Very low178 Ų178133.1 Ų133.193%0.93281%0.813SS**  trans-139.4138.4160.2-78.2-177.5000110.6
138V35.7Very low31.9Very low104 Ų104133 Ų13363%0.6382%0.822SS**  trans-121.9145.1-172.41610000108.5H136H136-V138 WeakPolarHBondContact CE1-CG2 3.43Å
139P38.4Very low32Very low108 Ų108136.1 Ų136.170%0.70183%0.829SS**  trans-83.2160.5-168.633.5-38.1000114.1
140P37.9Very low31.2Very low133 Ų133135 Ų13586%0.86483%0.83SS**  trans-76146.8164.633-33.8000111.5
141S30Very low31.3Very low124 Ų124142.6 Ų142.687%0.86783%0.834SS**  trans-121138.4-176.557.30000113
142G30.3Very low31.5Very low68 Ų68141.7 Ų141.770%0.70184%0.835SS**  trans168.7109.7166.600000110
143S31.4Very low31.6Very low130 Ų130142.8 Ų142.891%0.90984%0.835SS**  91.394.657.769.20000112.7
144G30.6Very low31.8Very low75 Ų75145.9 Ų145.977%0.77384%0.84SS**  trans157.9120175.300000112.4
145P42.1Very low32Very low129 Ų129141.2 Ų141.284%0.83883%0.83SS**  trans-108.1145.8-173.937.7-31.6000114.5
146A29.3Very low32Very low99 Ų99143.4 Ų143.482%0.81883%0.832SS**  trans174.9158.4138.600000112.9
147H31.6Very low32.3Very low186 Ų186141.2 Ų141.286%0.86183%0.831SS**  trans-32.3135.7177.4-66.5-95.2000119.1
148S29.9Very low32.3Very low125 Ų125139.6 Ų139.687%0.87483%0.828SS**  -175.5164.8114.637.70000111.9
149Q29.8Very low31.8Very low191 Ų191145.3 Ų145.389%0.89384%0.839SS**  trans-85.2162.9-177.3-73.5165.7-91.300113.4
150A29.6Very low31.5Very low102 Ų102143.7 Ų143.784%0.84384%0.835SS**  trans65.598.4154.500000119
151R29.7Very low31.1Very low238 Ų238143.1 Ų143.190%0.89882%0.824SS**  trans-153.296.2135.9-154.1173-165.4167.17.1113.2
152L32.9Very low31Very low176 Ų176146.9 Ų146.992%0.92182%0.821SS**  trans-144.667.3170.4-129.8173000111.2
153E31.7Very low31.1Very low186 Ų186148.8 Ų148.887%0.86982%0.822SS**  trans-128.7116.6169.5-81.7-152.6137.200111.6
154R32.6Very low31.1Very low240 Ų240148.4 Ų148.491%0.90682%0.818SS**  trans176.1135.2147.6-100-175.9177.6107.6-4.5107.8
155A31.2Very low31Very low87 Ų87153.5 Ų153.572%0.71983%0.827SS**  cis-160.4139.1-19.200000109.5
156L29.6Very low30.3Very low173 Ų173154.3 Ų154.391%0.90682%0.824SS**  trans-137.1152.4148.7-78.8-177.4000108.4
157P33.4Very low30.2Very low113 Ų113155.3 Ų155.373%0.73483%0.825SS**  trans-102.2173.2-15439.4-37.5000115.4
158V29.7Very low30.2Very low144 Ų144151.7 Ų151.787%0.87382%0.821SS**  trans82.498.8167.8-167.90000115.8
159R27Very low30.4Very low224 Ų224151.1 Ų151.185%0.84582%0.817SS**  trans-67.5162.5165.8-151.2-173.9-168.9102.4-2.4111.6
160A31.5Very low30.3Very low75 Ų75147 Ų14762%0.6282%0.815SS**  trans83.9141.9140.300000119.1
161D28.8Very low30.3Very low120 Ų120146 Ų14664%0.64281%0.807SS**  cis-158.6-167.2-20.6-95.8-36000105.1
162Y28.3Very low30.3Very low204 Ų204140.1 Ų140.180%0.880%0.803SS**  cis-158.5168.820.3-110.7-63.7000110.2
163C31.6Very low30.2Very low107 Ų107136.1 Ų136.172%0.72379%0.789SS**  trans44.4109.3151.8-62.50000121.4
164C31.5Very low30.2Very low123 Ų123136.1 Ų136.183%0.83179%0.789SS**  trans-62.3153.7136.4-49.90000110.5
165L29.1Very low30Very low181 Ų181130.6 Ų130.695%0.94878%0.782SS**  trans-131.9121.2147.9-84.7177.2000108.4
166D27Very low30Very low146 Ų146131.3 Ų131.378%0.78178%0.782SS**  trans-119.9127.7172.417821.4000108
167S28.4Very low30Very low120 Ų120127.6 Ų127.684%0.83977%0.771SS**  trans-175.1117.9161-83.40000110.3
168S31.2Very low30Very low110 Ų110131.3 Ų131.377%0.76978%0.775SS**  trans-77.6163.7172.659.20000112.7
169S32.9Very low30.1Very low113 Ų113131.3 Ų131.379%0.7978%0.775SS**  179.6129.5118.141.30000115.1
170A29.1Very low30.4Very low105 Ų105125.2 Ų125.287%0.86877%0.773SS**  trans61.2162.2144.900000119.8
171A29.3Very low30.5Very low80 Ų80127.3 Ų127.366%0.66178%0.783SS**  cis-151.4160.44.500000112.8
172S29.3Very low31.2Very low116 Ų116127 Ų12781%0.81179%0.788SS**  trans65.9152.5157.521.80000118.8
173S30.8Very low31.5Very low91 Ų91126.5 Ų126.564%0.63679%0.79SS**  cis-160.4135.5241.70000113.4
174Q31.1Very low31.5Very low187 Ų187127.4 Ų127.487%0.87479%0.793SS**  trans62.5153.5146.3-55172.12500117.5
175T29.8Very low31.7Very low124 Ų124127 Ų12776%0.76179%0.788SS**  cis-137.2-178.914.448.30000113.5
176S31.1Very low31.8Very low102 Ų102123.1 Ų123.171%0.71378%0.782SS**  trans-57167.5168.149.80000117.1
177S30.1Very low32.2Very low95 Ų95120.7 Ų120.766%0.66478%0.777SS**  cis178.2162.1-21.264.50000111.8
178K33.2Very low32.8Very low191 Ų191120.5 Ų120.583%0.8378%0.775SS**  trans81.2141.5154.1-69.4179.9-180178.50121.5
179T30.2Very low33.1Very low143 Ų143122.5 Ų122.588%0.87777%0.773SS**  trans79.2135.6157.2-49.80000117.6
180A35Very low33.5Very low97 Ų97122.5 Ų122.580%0.80277%0.77SS**  trans-119.4153.1-179.400000111.6
181S33.7Very low34.2Very low119 Ų119125.6 Ų125.683%0.83277%0.766SS**  trans-144.9157.2162.156.50000109.4
182P43.6Very low35Very low112 Ų112127.2 Ų127.273%0.72777%0.77SS**  trans-105.7167.1-161.940.5-36000114.8
183F32.9Very low36.3Very low194 Ų194128.7 Ų128.785%0.85176%0.764SS**  trans58.8112.5168.2-81.1-84.1000118.4
184T32.8Very low37.8Very low127 Ų127128.3 Ų128.378%0.77976%0.76SS**  -163.4136111.8-72.30000107.7A186T184-A186 PolarHBondContact O-N 3.13Å
185P35.4Very low40.3Very low114 Ų114125.4 Ų125.474%0.7475%0.75SS**  trans-71.1118.8170.3-6.723.1000108.6S187P185-S187 PolarHBondContact O-N 3.07Å
186A31.6Very low43.2Very low99 Ų99120.5 Ų120.582%0.81872%0.719SS**  trans-62.6119169.400000108.6T184 S188T184-A186 PolarHBondContact O-N 3.13Å; A186-S188 PolarHBondContact O-N 3.21Å
187S35.3Very low46.2Very low96 Ų96115.8 Ų115.867%0.67169%0.687SS**  trans-63115169.7450000108.5P185 E189P185-S187 PolarHBondContact O-N 3.07Å; S187-E189 VanDerWaalsContact C-N 3.34Å; S187-E189 PolarHBondContact O-N 2.97Å
188S39.9Very low49.4Very low115 Ų115112.3 Ų112.380%0.80466%0.662SS**  trans-66.198.4165.555.20000107.9A186A186-S188 PolarHBondContact O-N 3.21Å
189E38.3Very low52.4Low153 Ų153103.2 Ų103.272%0.71562%0.623SS**  trans-46.4134.1160.7-72.3-64.8128.900108.3S187 E191S187-E189 VanDerWaalsContact C-N 3.34Å; S187-E189 PolarHBondContact O-N 2.97Å; E189-E191 PolarHBondContact O-N 2.57Å
190P41.2Very low55.6Low113 Ų11398 Ų9873%0.73459%0.593SS**  trans-65.2122.3176.227-32.1000109
191E44.8Very low58.6Low169 Ų16993.5 Ų93.579%0.7956%0.555SS**  trans-44.4132.8166.6-74.2-70.9158.800109.5E189 E193E189-E191 PolarHBondContact O-N 2.57Å; E191-E193 PolarHBondContact O-N 2.88Å
192P46.1Very low61.6Low115 Ų11587.8 Ų87.875%0.74752%0.515SS*.  trans-62.1111.3-17324.2-33.2000110.3
193E54.9Low64.1Low147 Ų14782.5 Ų82.569%0.68748%0.481SS*.  trans-49129.4178.8-82.4-78.1169.300110.1E191 N195E191-E193 PolarHBondContact O-N 2.88Å; E193-N195 PolarHBondContact O-N 3.39Å; E193-N195 VanDerWaalsContact O-N 3.13Å
194P64.1Low67.1Low82 Ų8275.6 Ų75.653%0.53245%0.452SS..  trans-61.5121.1-171.824-34.2000110.2L196P194-L196 WeakPolarHBondContact O-CG 3.43Å; P194-L196 PolarHBondContact O-N 3.49Å; P194-L196 VanDerWaalsContact O-N 3.13Å
195N83.3Confident70.1Confident127 Ų12770.1 Ų70.168%0.67942%0.418SS*.  trans-65113178.1-177.20.6000109.9E193 G197E193-N195 PolarHBondContact O-N 3.39Å; E193-N195 VanDerWaalsContact O-N 3.13Å; N195-G197 VanDerWaalsContact C-N 3.29Å; N195-G197 PolarHBondContact OD1-N 2.8Å
196L90.6Very high72.9Confident20 Ų2067.3 Ų67.311%0.10540%0.396CS..  trans-89.86.1-178.5-56.4172.2000113.1P194 P223 I296 I319 K321P194-L196 WeakPolarHBondContact O-CG 3.43Å; P194-L196 PolarHBondContact O-N 3.49Å; P194-L196 VanDerWaalsContact O-N 3.13Å; L196-P223 HydrophobicContact CD2-CG 4.03Å; L196-I296 WeakPolarHBondContact CD1-O 3.48Å; L196-I319 HydrophobicContact CB-CB 4.16Å; L196-I319 HydrophobicContact CB-CG2 3.9Å; L196-I319 HydrophobicContact CD1-CG2 4.48Å; L196-K321 VanDerWaalsContact CD1-CA 3.47Å; L196-K321 HydrophobicContact CD1-CB 3.9Å; L196-K321 VanDerWaalsContact CD1-N 3.34Å
197G93.8Very high75.9Confident3 Ų367.2 Ų67.23%0.03138%0.378CS..  trans86.1-169.1-177.800000113.8N195 R220 G221 Q318 I319N195-G197 VanDerWaalsContact C-N 3.29Å; N195-G197 PolarHBondContact OD1-N 2.8Å; G197-R220 CarbonylContact C-O 3.43Å; G197-R220 WeakPolarHBondContact CA-O 3.29Å; G197-G221 VanDerWaalsContact CA-O 3.3Å; G197-G221 WeakPolarHBondContact CA-O 3.38Å; G197-G221 PolarHBondContact N-O 3.23Å; G197-Q318 PolarHBondContact O-OE1 2.86Å; G197-I319 WeakPolarHBondContact O-CB 3.28Å; G197-I319 PolarHBondContact O-N 3.16Å
198S96.5Very high78.6Confident22 Ų2268.5 Ų68.515%0.15438%0.383CS..EExtended strand (participates in β ladder)trans-131.5150.8-177.955.80000111.8A219 R220 Q317S198-A219 CarbonylContact O-C 3.45Å; S198-A219 WeakPolarHBondContact O-CA 3.17Å; S198-A219 WeakPolarHBondContact O-CB 3.26Å; S198-R220 PolarHBondContact N-O 2.88Å; S198-R220 PolarHBondContact O-N 2.92Å; S198-Q317 CarbonylContact C-O 3.48Å; S198-Q317 WeakPolarHBondContact CA-O 3.49Å
199I97.3Very high81Confident0 Ų068.3 Ų68.30%037%0.368CS..EExtended strand (participates in β ladder)trans-110.8129.1174.1-174172.3000110.3V216 A219 V236 F282 A299 S316 Q317 I319I199-V216 HydrophobicContact CD1-CG1 4.31Å; I199-A219 HydrophobicContact CB-CB 4.5Å; I199-V236 HydrophobicContact CD1-CG1 4.02Å; I199-V236 HydrophobicContact CD1-CG2 4.01Å; I199-F282 HydrophobicContact CD1-CB 3.94Å; I199-F282 HydrophobicContact CD1-CD1 4.14Å; I199-F282 HydrophobicContact CD1-CG 4.05Å; I199-A299 HydrophobicContact CG2-CB 3.49Å; I199-A299 VanDerWaalsContact CG2-CB 3.49Å; I199-S316 WeakPolarHBondContact O-CA 3.46Å; I199-Q317 HydrophobicContact CG2-CB 4.22Å; I199-Q317 PolarHBondContact N-O 2.84Å; I199-Q317 PolarHBondContact O-N 2.87Å; I199-I319 HydrophobicContact CB-CD1 4.39Å; I199-I319 HydrophobicContact CB-CG1 4.31Å; I199-I319 HydrophobicContact CG2-CG1 4.27Å
200S97.7Very high83.5Confident35 Ų3568 Ų6825%0.24536%0.364CS..EExtended strand (participates in β ladder)trans-103132.6176-67.40000110.4V217 G218S200-V217 WeakPolarHBondContact O-CB 3.11Å; S200-V217 PolarHBondContact O-N 3.03Å; S200-G218 PolarHBondContact N-O 2.95Å; S200-G218 PolarHBondContact O-N 3.12Å
201L96.9Very high86Confident1 Ų162.6 Ų62.61%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-141.7172.3178.861.9126.9000111.1V203 V214 T215 L280 F282 V301 L315L201-V203 HydrophobicContact CD1-CG2 3.84Å; L201-V214 HydrophobicContact CD1-CG1 4.39Å; L201-T215 CarbonylContact C-O 3.54Å; L201-T215 WeakPolarHBondContact CA-O 3.27Å; L201-T215 WeakPolarHBondContact CB-O 3.15Å; L201-L280 HydrophobicContact CD1-CD1 4.4Å; L201-F282 HydrophobicContact CD1-CE2 4.23Å; L201-F282 HydrophobicContact CD1-CZ 3.99Å; L201-F282 HydrophobicContact CD2-CE2 3.9Å; L201-F282 HydrophobicContact CD2-CZ 4.14Å; L201-F282 HydrophobicContact CG-CZ 4.46Å; L201-V301 HydrophobicContact CD2-CG2 4.24Å; L201-L315 HydrophobicContact CD1-CB 4.26Å; L201-L315 HydrophobicContact CD1-CD1 4.27Å; L201-L315 HydrophobicContact CG-CB 4.1Å; L201-L315 PolarHBondContact N-O 2.86Å; L201-L315 PolarHBondContact O-N 2.81Å; L201-L315 VanDerWaalsContact O-O 3.06Å
202S96.7Very high88.4Confident0 Ų054.5 Ų54.50%029%0.292CS..EExtended strand (participates in β ladder)trans-142.2137.7167.270.40000112.3V214 T215 R312 V313S202-V214 WeakPolarHBondContact O-CA 3.18Å; S202-T215 PolarHBondContact N-O 3.36Å; S202-T215 PolarHBondContact O-N 3.17Å; S202-T215 WeakPolarHBondContact OG-CB 3.43Å; S202-R312 VanDerWaalsContact CB-CG 3.49Å; S202-R312 WeakPolarHBondContact OG-CD 3.3Å; S202-R312 WeakPolarHBondContact OG-CG 3.09Å; S202-R312 PolarHBondContact OG-NH1 2.68Å; S202-R312 VanDerWaalsContact OG-NH1 3.09Å; S202-V313 CarbonylContact C-O 3.29Å; S202-V313 WeakPolarHBondContact CA-O 3.4Å; S202-V313 WeakPolarHBondContact CB-O 3.28Å
203V96.8Very high90.8Very high1 Ų149.7 Ų49.71%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-109.5137.3-178.2-171.70000109.7L201 L212 V213 L280 L303 V306 P308 R312 V313 L315L201-V203 HydrophobicContact CD1-CG2 3.84Å; V203-L212 HydrophobicContact CG1-CD1 3.59Å; V203-V213 WeakPolarHBondContact CA-O 3.29Å; V203-L280 HydrophobicContact CG2-CD1 4.2Å; V203-L303 HydrophobicContact CG1-CD2 4.23Å; V203-L303 HydrophobicContact CG2-CD2 4.07Å; V203-V306 HydrophobicContact CB-CG1 4.37Å; V203-P308 HydrophobicContact CG1-CB 4.2Å; V203-P308 HydrophobicContact CG1-CG 4.47Å; V203-R312 CarbonylContact O-C 3.58Å; V203-R312 WeakPolarHBondContact O-CA 3.39Å; V203-V313 PolarHBondContact N-O 2.78Å; V203-V313 PolarHBondContact O-N 3.18Å; V203-L315 HydrophobicContact CG2-CD1 3.99Å
204D95.9Very high92.8Very high48 Ų4842.7 Ų42.726%0.25723%0.228SC..EExtended strand (participates in β ladder)trans-147.3154.5-176.6175.819.2000107.8V213 R312D204-V213 HydrophobicContact CB-CB 4.11Å; D204-V213 HydrophobicContact CB-CG1 4.47Å; D204-V213 PolarHBondContact N-O 3.39Å; D204-V213 WeakPolarHBondContact O-CA 3.37Å; D204-V213 WeakPolarHBondContact O-CB 3.5Å; D204-V213 PolarHBondContact O-N 3.08Å; D204-V213 VanDerWaalsContact O-O 3.06Å; D204-R312 HydrophobicContact CB-CB 4.46Å
205Y95.7Very high94.3Very high13 Ų1338.9 Ų38.95%0.05120%0.202CC..EExtended strand (participates in β ladder)trans-134.3115.3-176.7-174.4-89.1000113.1F207 L212 V270 Y272 L275 P308Y205-F207 AromaticContact CD1-CD1 3.76Å; Y205-F207 HydrophobicContact CD1-CD1 3.76Å; Y205-F207 AromaticContact CD1-CD2 3.95Å; Y205-F207 HydrophobicContact CD1-CD2 3.95Å; Y205-F207 AromaticContact CD1-CE1 3.77Å; Y205-F207 HydrophobicContact CD1-CE1 3.77Å; Y205-F207 AromaticContact CD1-CE2 3.99Å; Y205-F207 HydrophobicContact CD1-CE2 3.99Å; Y205-F207 AromaticContact CD1-CG 3.83Å; Y205-F207 HydrophobicContact CD1-CG 3.83Å; Y205-F207 AromaticContact CD1-CZ 3.88Å; Y205-F207 HydrophobicContact CD1-CZ 3.88Å; Y205-F207 HydrophobicContact CE1-CB 4.39Å; Y205-F207 AromaticContact CE1-CD1 3.51Å; Y205-F207 HydrophobicContact CE1-CD1 3.51Å; Y205-F207 HydrophobicContact CE1-CD2 4.45Å; Y205-F207 AromaticContact CE1-CE1 3.78Å; Y205-F207 HydrophobicContact CE1-CE1 3.78Å; Y205-F207 AromaticContact CE1-CG 3.87Å; Y205-F207 HydrophobicContact CE1-CG 3.87Å; Y205-F207 HydrophobicContact CE1-CZ 4.37Å; Y205-F207 PolarHBondContact O-N 3.29Å; Y205-L212 HydrophobicContact CD2-CB 4.35Å; Y205-V270 WeakPolarHBondContact CE2-O 3.38Å; Y205-V270 PolarHBondContact OH-O 3.09Å; Y205-Y272 AromaticContact CD1-CD2 3.64Å; Y205-Y272 HydrophobicContact CD1-CD2 3.64Å; Y205-Y272 HydrophobicContact CD1-CE2 4.48Å; Y205-Y272 HydrophobicContact CD1-CG 4.45Å; Y205-Y272 HydrophobicContact CD2-CD2 4.26Å; Y205-Y272 AromaticContact CE1-CD2 3.92Å; Y205-Y272 HydrophobicContact CE1-CD2 3.92Å; Y205-Y272 HydrophobicContact CE1-CG 4.29Å; Y205-Y272 AromaticContact CG-CD2 3.83Å; Y205-Y272 HydrophobicContact CG-CD2 3.83Å; Y205-Y272 PolarHBondContact OH-N 2.91Å; Y205-Y272 VanDerWaalsContact OH-N 3.08Å; Y205-L275 HydrophobicContact CD2-CD1 3.93Å; Y205-L275 HydrophobicContact CE2-CD1 4.44Å; Y205-L275 HydrophobicContact CG-CD1 4.4Å; Y205-P308 PolarHBondContact N-O 3.38Å
206N94.4Very high95Very high54 Ų5432.8 Ų32.829%0.28917%0.17SC..EExtended strand (participates in β ladder)trans-86.392.4-178.9-163.4-78.2000110.8P208 K209 K210 A211 V213N206-P208 WeakPolarHBondContact OD1-CD 3.46Å; N206-K209 HydrophobicContact CB-CB 4.34Å; N206-K209 PolarHBondContact O-N 2.54Å; N206-K209 WeakPolarHBondContact OD1-CB 3.32Å; N206-K209 VanDerWaalsContact OD1-CG 3.23Å; N206-K209 WeakPolarHBondContact OD1-CG 3.4Å; N206-K209 PolarHBondContact OD1-N 2.8Å; N206-K210 PolarHBondContact O-N 3.43Å; N206-A211 PolarHBondContact N-O 3.16Å; N206-A211 PolarHBondContact O-N 3.36Å; N206-V213 HydrophobicContact CB-CG2 4.39Å
207F92.9Very high95.3Very high98 Ų9833.9 Ų33.943%0.4318%0.177SC..THydrogen-bonded Turntrans-53.7-47.6177.6-66.8-85.1000114.1Y205 K209 K210 Y272Y205-F207 AromaticContact CD1-CD1 3.76Å; Y205-F207 HydrophobicContact CD1-CD1 3.76Å; Y205-F207 AromaticContact CD1-CD2 3.95Å; Y205-F207 HydrophobicContact CD1-CD2 3.95Å; Y205-F207 AromaticContact CD1-CE1 3.77Å; Y205-F207 HydrophobicContact CD1-CE1 3.77Å; Y205-F207 AromaticContact CD1-CE2 3.99Å; Y205-F207 HydrophobicContact CD1-CE2 3.99Å; Y205-F207 AromaticContact CD1-CG 3.83Å; Y205-F207 HydrophobicContact CD1-CG 3.83Å; Y205-F207 AromaticContact CD1-CZ 3.88Å; Y205-F207 HydrophobicContact CD1-CZ 3.88Å; Y205-F207 HydrophobicContact CE1-CB 4.39Å; Y205-F207 AromaticContact CE1-CD1 3.51Å; Y205-F207 HydrophobicContact CE1-CD1 3.51Å; Y205-F207 HydrophobicContact CE1-CD2 4.45Å; Y205-F207 AromaticContact CE1-CE1 3.78Å; Y205-F207 HydrophobicContact CE1-CE1 3.78Å; Y205-F207 AromaticContact CE1-CG 3.87Å; Y205-F207 HydrophobicContact CE1-CG 3.87Å; Y205-F207 HydrophobicContact CE1-CZ 4.37Å; Y205-F207 PolarHBondContact O-N 3.29Å; F207-K209 VanDerWaalsContact C-N 3.29Å; F207-K209 PolarHBondContact O-N 3.06Å; F207-K210 PolarHBondContact O-N 3.35Å; F207-K210 VanDerWaalsContact O-N 3.14Å; F207-Y272 HydrophobicContact CE1-CD1 4.38Å; F207-Y272 AromaticContact CE1-CD2 3.7Å; F207-Y272 HydrophobicContact CE1-CD2 3.7Å; F207-Y272 HydrophobicContact CE1-CE2 4.18Å; F207-Y272 AromaticContact CE1-CG 3.82Å; F207-Y272 HydrophobicContact CE1-CG 3.82Å; F207-Y272 AromaticContact CZ-CD2 3.75Å; F207-Y272 HydrophobicContact CZ-CD2 3.75Å; F207-Y272 AromaticContact CZ-CE2 3.79Å; F207-Y272 HydrophobicContact CZ-CE2 3.79Å; F207-Y272 HydrophobicContact CZ-CG 4.28Å
208P92.4Very high95.5Very high122 Ų12234 Ų3479%0.79218%0.179SC*.THydrogen-bonded Turntrans-59.4-35.5179.7-26.335.9000114.1N206N206-P208 WeakPolarHBondContact OD1-CD 3.46Å
209K90Very high95.5Very high111 Ų11133.1 Ų33.148%0.48317%0.173SC..THydrogen-bonded Turntrans-92.7-3.5179.6-65.1174-179.7179.60113.8N206 F207 A211 Y268N206-K209 HydrophobicContact CB-CB 4.34Å; N206-K209 PolarHBondContact O-N 2.54Å; N206-K209 WeakPolarHBondContact OD1-CB 3.32Å; N206-K209 VanDerWaalsContact OD1-CG 3.23Å; N206-K209 WeakPolarHBondContact OD1-CG 3.4Å; N206-K209 PolarHBondContact OD1-N 2.8Å; F207-K209 VanDerWaalsContact C-N 3.29Å; F207-K209 PolarHBondContact O-N 3.06Å; K209-A211 VanDerWaalsContact C-N 3.32Å; K209-A211 HydrophobicContact CB-CB 4.12Å; K209-A211 PolarHBondContact O-N 3.44Å; K209-Y268 HydrophobicContact CB-CD1 4.33Å; K209-Y268 HydrophobicContact CB-CE1 4.06Å; K209-Y268 HydrophobicContact CD-CE1 4.17Å; K209-Y268 HydrophobicContact CG-CE1 4.44Å
210K92.2Very high95.4Very high146 Ų14640.2 Ų40.264%0.63520%0.199SC*.THydrogen-bonded Turntrans4458.1-170-61.9-177.8-179.4-179.60111.1N206 F207 G269N206-K210 PolarHBondContact O-N 3.43Å; F207-K210 PolarHBondContact O-N 3.35Å; F207-K210 VanDerWaalsContact O-N 3.14Å; K210-G269 PolarHBondContact O-N 2.88Å
211A93.7Very high95.2Very high0 Ų040.6 Ų40.60%021%0.209CC..EExtended strand (participates in β ladder)trans-138.7127.6-17100000112.3N206 K209 T266 F267 Y268N206-A211 PolarHBondContact N-O 3.16Å; N206-A211 PolarHBondContact O-N 3.36Å; K209-A211 VanDerWaalsContact C-N 3.32Å; K209-A211 HydrophobicContact CB-CB 4.12Å; K209-A211 PolarHBondContact O-N 3.44Å; A211-T266 HydrophobicContact CB-CG2 3.77Å; A211-F267 VanDerWaalsContact CA-O 3.3Å; A211-F267 WeakPolarHBondContact CA-O 3.4Å; A211-Y268 HydrophobicContact CB-CD1 3.93Å; A211-Y268 HydrophobicContact CB-CE1 4.38Å; A211-Y268 HydrophobicContact CB-CG 4.21Å
212L94.7Very high95.1Very high0 Ų040.8 Ų40.80%021%0.21CC..EExtended strand (participates in β ladder)trans-74.8131.2169.1175.364.4000109.3V203 Y205 V214 I240 F267 V270 L275 L280 L303V203-L212 HydrophobicContact CG1-CD1 3.59Å; Y205-L212 HydrophobicContact CD2-CB 4.35Å; L212-V214 HydrophobicContact CD1-CG2 4.43Å; L212-V214 HydrophobicContact CD2-CG2 4.37Å; L212-V214 HydrophobicContact CG-CG2 4.09Å; L212-I240 HydrophobicContact CD2-CD1 4.24Å; L212-F267 HydrophobicContact CB-CB 4.36Å; L212-F267 PolarHBondContact N-O 2.88Å; L212-F267 VanDerWaalsContact N-O 3.12Å; L212-F267 PolarHBondContact O-N 2.87Å; L212-V270 HydrophobicContact CB-CB 4.03Å; L212-V270 HydrophobicContact CB-CG1 3.96Å; L212-V270 HydrophobicContact CB-CG2 4.38Å; L212-V270 HydrophobicContact CD2-CG1 4.34Å; L212-L275 HydrophobicContact CB-CD2 4.37Å; L212-L275 HydrophobicContact CD1-CD2 3.83Å; L212-L275 HydrophobicContact CD2-CD2 4Å; L212-L275 HydrophobicContact CG-CD2 4.29Å; L212-L280 HydrophobicContact CD2-CD2 4.42Å; L212-L303 HydrophobicContact CD1-CD1 4.41Å; L212-L303 HydrophobicContact CD2-CD1 3.85Å
213V95.6Very high94.8Very high14 Ų1442.8 Ų42.89%0.08522%0.223CC..EExtended strand (participates in β ladder)trans-114.1126.4178.7-179.30000108.4V203 D204 N206 T264 F265 T266V203-V213 WeakPolarHBondContact CA-O 3.29Å; D204-V213 HydrophobicContact CB-CB 4.11Å; D204-V213 HydrophobicContact CB-CG1 4.47Å; D204-V213 PolarHBondContact N-O 3.39Å; D204-V213 WeakPolarHBondContact O-CA 3.37Å; D204-V213 WeakPolarHBondContact O-CB 3.5Å; D204-V213 PolarHBondContact O-N 3.08Å; D204-V213 VanDerWaalsContact O-O 3.06Å; N206-V213 HydrophobicContact CB-CG2 4.39Å; V213-T264 HydrophobicContact CG1-CG2 3.53Å; V213-F265 WeakPolarHBondContact CA-O 3.34Å; V213-T266 HydrophobicContact CG2-CG2 4.2Å
214V96.6Very high94.4Very high0 Ų044.9 Ų44.90%024%0.24CC..EExtended strand (participates in β ladder)trans-129.3120.3177.9-176.80000108.9L201 S202 L212 M238 F265 F267 L280 F282L201-V214 HydrophobicContact CD1-CG1 4.39Å; S202-V214 WeakPolarHBondContact O-CA 3.18Å; L212-V214 HydrophobicContact CD1-CG2 4.43Å; L212-V214 HydrophobicContact CD2-CG2 4.37Å; L212-V214 HydrophobicContact CG-CG2 4.09Å; V214-M238 HydrophobicContact CB-CE 3.81Å; V214-M238 HydrophobicContact CB-SD 4.27Å; V214-M238 HydrophobicContact CG1-CE 3.82Å; V214-M238 HydrophobicContact CG1-SD 4.06Å; V214-M238 HydrophobicContact CG2-CE 3.79Å; V214-F265 PolarHBondContact N-O 3.48Å; V214-F265 PolarHBondContact O-N 2.82Å; V214-F267 HydrophobicContact CB-CE2 4.33Å; V214-F267 HydrophobicContact CG2-CE2 4.32Å; V214-L280 HydrophobicContact CG1-CD1 4.04Å; V214-L280 HydrophobicContact CG2-CD1 3.81Å; V214-F282 HydrophobicContact CG1-CZ 4.24Å
215T97.3Very high93.7Very high1 Ų145 Ų451%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-95.7121.8169.7-46.90000109L201 S202 V217 D262 E263 T264 R312L201-T215 CarbonylContact C-O 3.54Å; L201-T215 WeakPolarHBondContact CA-O 3.27Å; L201-T215 WeakPolarHBondContact CB-O 3.15Å; S202-T215 PolarHBondContact N-O 3.36Å; S202-T215 PolarHBondContact O-N 3.17Å; S202-T215 WeakPolarHBondContact OG-CB 3.43Å; T215-V217 HydrophobicContact CG2-CG2 4.18Å; T215-V217 PolarHBondContact O-N 2.95Å; T215-D262 WeakPolarHBondContact CG2-OD1 3.38Å; T215-E263 CarbonylContact C-O 3.51Å; T215-E263 VanDerWaalsContact CA-O 3.32Å; T215-E263 WeakPolarHBondContact CA-O 3.32Å; T215-T264 PolarHBondContact OG1-OG1 2.65Å; T215-R312 PolarHBondContact OG1-NH1 2.81Å; T215-R312 VanDerWaalsContact OG1-NH1 3.08Å; T215-R312 PolarHBondContact OG1-NH2 2.91Å; T215-R312 VanDerWaalsContact OG1-NH2 3.1Å
216V97.6Very high92.5Very high0 Ų048 Ų480%026%0.259CS..EExtended strand (participates in β ladder)trans-83.8106.8164.4179.20000106.4I199 V236 T250 F261 D262 E263 F265 F282I199-V216 HydrophobicContact CD1-CG1 4.31Å; V216-V236 HydrophobicContact CG1-CG2 4.42Å; V216-T250 HydrophobicContact CB-CG2 4.09Å; V216-T250 HydrophobicContact CG1-CG2 3.97Å; V216-T250 HydrophobicContact CG2-CG2 4.42Å; V216-F261 HydrophobicContact CG1-CB 4.2Å; V216-F261 HydrophobicContact CG1-CD2 3.81Å; V216-F261 HydrophobicContact CG1-CG 4.3Å; V216-D262 WeakPolarHBondContact O-CA 3.46Å; V216-D262 PolarHBondContact O-N 3.07Å; V216-D262 VanDerWaalsContact O-N 3.09Å; V216-E263 PolarHBondContact N-O 2.93Å; V216-E263 PolarHBondContact O-N 3.15Å; V216-F265 HydrophobicContact CB-CE2 4.42Å; V216-F265 HydrophobicContact CG2-CD2 4.29Å; V216-F265 HydrophobicContact CG2-CE2 3.91Å; V216-F282 HydrophobicContact CG2-CD1 4.29Å; V216-F282 HydrophobicContact CG2-CE1 3.86Å
217V97.3Very high91.1Very high42 Ų4253.4 Ų53.426%0.25528%0.283SS..EExtended strand (participates in β ladder)trans-80.6-47.1-172.6179.70000110.1S200 T215 I260 F261 D262S200-V217 WeakPolarHBondContact O-CB 3.11Å; S200-V217 PolarHBondContact O-N 3.03Å; T215-V217 HydrophobicContact CG2-CG2 4.18Å; T215-V217 PolarHBondContact O-N 2.95Å; V217-I260 CarbonylContact O-C 3.55Å; V217-F261 PolarHBondContact O-N 3.05Å; V217-D262 PolarHBondContact O-N 2.88Å
218G96.6Very high89.7Confident7 Ų756.8 Ų56.87%0.07230%0.3CS..EExtended strand (participates in β ladder)trans175.2179-178.400000112.8S200 P259S200-G218 PolarHBondContact N-O 2.95Å; S200-G218 PolarHBondContact O-N 3.12Å; G218-P259 CarbonylContact C-O 3.12Å; G218-P259 WeakPolarHBondContact CA-O 3.4Å
219A97.2Very high88.4Confident2 Ų252.9 Ų52.92%0.01728%0.279CS..EExtended strand (participates in β ladder)trans-127.4163163.900000110.1S198 I199 L222 D258 P259 I319S198-A219 CarbonylContact O-C 3.45Å; S198-A219 WeakPolarHBondContact O-CA 3.17Å; S198-A219 WeakPolarHBondContact O-CB 3.26Å; I199-A219 HydrophobicContact CB-CB 4.5Å; A219-L222 HydrophobicContact CB-CD1 4.21Å; A219-L222 HydrophobicContact CB-CD2 3.97Å; A219-L222 HydrophobicContact CB-CG 4.18Å; A219-D258 CarbonylContact O-C 3.56Å; A219-D258 VanDerWaalsContact O-CA 3.31Å; A219-D258 WeakPolarHBondContact O-CA 3.43Å; A219-P259 HydrophobicContact CB-CG 3.9Å; A219-P259 PolarHBondContact N-O 3.07Å; A219-P259 WeakPolarHBondContact O-CD 3.44Å; A219-I319 HydrophobicContact CB-CD1 4.44Å
220R95.6Very high87.9Confident149 Ų14950 Ų5056%0.56228%0.28SS*.EExtended strand (participates in β ladder)trans-139.5141.2-177.7-67.9-170.8169.4-76.35.1112G197 S198 D258G197-R220 CarbonylContact C-O 3.43Å; G197-R220 WeakPolarHBondContact CA-O 3.29Å; S198-R220 PolarHBondContact N-O 2.88Å; S198-R220 PolarHBondContact O-N 2.92Å; R220-D258 WeakPolarHBondContact CA-OD1 3.33Å; R220-D258 VanDerWaalsContact CB-OD1 3.28Å; R220-D258 WeakPolarHBondContact CB-OD1 3.38Å; R220-D258 WeakPolarHBondContact CG-OD1 3.43Å; R220-D258 IonicContact NH1-OD1 3.62Å; R220-D258 PolarHBondContact NH1-OD1 3.39Å
221G93Very high87.6Confident43 Ų4343.8 Ų43.844%0.44326%0.255SS..SBendtrans63.636176.900000114.1G197 L257 D258G197-G221 VanDerWaalsContact CA-O 3.3Å; G197-G221 WeakPolarHBondContact CA-O 3.38Å; G197-G221 PolarHBondContact N-O 3.23Å; G221-L257 PolarHBondContact N-O 3.13Å; G221-D258 PolarHBondContact N-OD1 3.34Å
222L94.4Very high87.4Confident5 Ų543.9 Ų43.93%0.02626%0.256CS..PPolyproline II helixtrans-65.5148.7173.6-59.6-179.5000110.7A219 P234 L257 P259 V284 I296 I319A219-L222 HydrophobicContact CB-CD1 4.21Å; A219-L222 HydrophobicContact CB-CD2 3.97Å; A219-L222 HydrophobicContact CB-CG 4.18Å; L222-P234 HydrophobicContact CD1-CB 3.61Å; L222-P234 HydrophobicContact CD1-CG 4.08Å; L222-L257 WeakPolarHBondContact CB-O 3.49Å; L222-L257 WeakPolarHBondContact CG-O 3.17Å; L222-L257 PolarHBondContact N-O 2.95Å; L222-L257 WeakPolarHBondContact O-CB 3.24Å; L222-L257 WeakPolarHBondContact O-CD2 3.47Å; L222-P259 HydrophobicContact CD1-CG 3.76Å; L222-V284 HydrophobicContact CD1-CG1 4.3Å; L222-V284 HydrophobicContact CD2-CG1 4.19Å; L222-I296 HydrophobicContact CD1-CD1 4.32Å; L222-I296 HydrophobicContact CD2-CG2 4.23Å; L222-I319 HydrophobicContact CD2-CD1 3.4Å; L222-I319 VanDerWaalsContact CD2-CD1 3.4Å
223P91.1Very high87.3Confident43 Ų4344.7 Ų44.728%0.27926%0.26SS..PPolyproline II helixtrans-65.8147.8169.527.9-36.6000111.9L196 S232 I296L196-P223 HydrophobicContact CD2-CG 4.03Å; P223-S232 PolarHBondContact O-OG 2.74Å; P223-I296 HydrophobicContact CG-CG2 3.69Å
224A88.6Confident87.4Confident44 Ų4444 Ų4436%0.36426%0.256SS..PPolyproline II helixtrans-71.4124.7162.600000109.4G230 L257A224-G230 VanDerWaalsContact CB-C 3.49Å; A224-L257 HydrophobicContact CB-CD1 4.45Å; A224-L257 HydrophobicContact CB-CD2 4.35Å
225V80.1Confident87.4Confident52 Ų5244.7 Ų44.732%0.31526%0.258SS..SBendtrans-95.6-34.7174.9-179.90000110.8E227 S231 S232 D294 I296V225-E227 PolarHBondContact O-N 2.82Å; V225-S231 PolarHBondContact N-O 3.04Å; V225-S232 PolarHBondContact N-OG 3.26Å; V225-D294 HydrophobicContact CG1-CB 3.79Å; V225-D294 WeakPolarHBondContact CG1-OD2 3.18Å; V225-I296 HydrophobicContact CG2-CD1 4.45Å; V225-I296 HydrophobicContact CG2-CG1 3.93Å
226D71.9Confident87.3Confident74 Ų7444.7 Ų44.740%0.39626%0.258SS..BIsolated β-bridgetrans-84.196.4170.8-177.2-17.4000108.9Q228 A229 G230 S231D226-Q228 PolarHBondContact O-N 2.82Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.35Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.2Å; D226-Q228 PolarHBondContact OD1-N 3.42Å; D226-A229 HydrophobicContact CB-CB 4.04Å; D226-A229 PolarHBondContact O-N 2.9Å; D226-A229 PolarHBondContact OD1-N 3.01Å; D226-A229 WeakPolarHBondContact OD2-CB 3.2Å; D226-G230 WeakPolarHBondContact O-CA 3.17Å; D226-G230 PolarHBondContact O-N 2.82Å; D226-S231 PolarHBondContact N-O 3.46Å; D226-S231 PolarHBondContact O-N 3.22Å
227E63.5Low87.1Confident169 Ų16946.8 Ų46.879%0.7927%0.268SS*.THydrogen-bonded Turntrans-59.3-26.3176.1-69.9-177.316800113V225V225-E227 PolarHBondContact O-N 2.82Å
228Q64Low87Confident168 Ų16845 Ų4579%0.78526%0.256SS*.THydrogen-bonded Turntrans-86.1-26.7-179.3-68.583.665.300112.6D226D226-Q228 PolarHBondContact O-N 2.82Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.35Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.2Å; D226-Q228 PolarHBondContact OD1-N 3.42Å
229A66.4Low86.6Confident41 Ų4145.2 Ų45.234%0.33926%0.257SS..THydrogen-bonded Turntrans-97-10.2173.700000114.2D226 S231D226-A229 HydrophobicContact CB-CB 4.04Å; D226-A229 PolarHBondContact O-N 2.9Å; D226-A229 PolarHBondContact OD1-N 3.01Å; D226-A229 WeakPolarHBondContact OD2-CB 3.2Å; A229-S231 PolarHBondContact O-N 3.05Å
230G78Confident86.2Confident49 Ų4945.2 Ų45.251%0.50526%0.256SS..THydrogen-bonded Turntrans61.131-175.600000113A224 D226A224-G230 VanDerWaalsContact CB-C 3.49Å; D226-G230 WeakPolarHBondContact O-CA 3.17Å; D226-G230 PolarHBondContact O-N 2.82Å
231S85.6Confident85.6Confident16 Ų1640.1 Ų40.111%0.11224%0.24CC..BIsolated β-bridgetrans-154.8-177.9-168.2-147.40000113.5V225 D226 A229 K255 T256V225-S231 PolarHBondContact N-O 3.04Å; D226-S231 PolarHBondContact N-O 3.46Å; D226-S231 PolarHBondContact O-N 3.22Å; A229-S231 PolarHBondContact O-N 3.05Å; S231-K255 VanDerWaalsContact OG-CA 3.29Å; S231-K255 WeakPolarHBondContact OG-CA 3.27Å; S231-T256 PolarHBondContact OG-N 2.85Å
232S90Very high84.6Confident3 Ų342.9 Ų42.92%0.02125%0.25CC..  trans-140.3158.6177.7-680000110P223 V225 P234 K255 T256P223-S232 PolarHBondContact O-OG 2.74Å; V225-S232 PolarHBondContact N-OG 3.26Å; S232-P234 WeakPolarHBondContact O-CD 3.49Å; S232-K255 CarbonylContact O-C 3.57Å; S232-K255 VanDerWaalsContact O-CA 3.26Å; S232-K255 WeakPolarHBondContact O-CA 3.45Å; S232-K255 PolarHBondContact O-N 2.92Å; S232-K255 VanDerWaalsContact O-N 3.11Å; S232-T256 PolarHBondContact O-N 3.03Å
233D93.7Very high83Confident16 Ų1647.3 Ų47.39%0.08627%0.271CS..  trans-10969.9171.4-83.2-0.5000109.5V252 L253 R254 K255 S286 F287D233-V252 HydrophobicContact CB-CG1 4.1Å; D233-L253 CarbonylContact C-O 3.38Å; D233-L253 WeakPolarHBondContact CA-O 3.47Å; D233-R254 WeakPolarHBondContact OD1-CA 3.34Å; D233-R254 WeakPolarHBondContact OD1-CB 3.42Å; D233-R254 IonicContact OD1-NE 3.6Å; D233-R254 IonicContact OD2-CZ 2.74Å; D233-R254 IonicContact OD2-NE 2.82Å; D233-R254 PolarHBondContact OD2-NE 2.9Å; D233-R254 IonicContact OD2-NH2 2.73Å; D233-R254 PolarHBondContact OD2-NH2 2.79Å; D233-K255 PolarHBondContact OD1-N 2.91Å; D233-S286 PolarHBondContact N-OG 3.07Å; D233-F287 HydrophobicContact CB-CB 4.17Å; D233-F287 PolarHBondContact O-N 2.92Å
234P96.1Very high81.8Confident0 Ų050.1 Ų50.10%028%0.278CS..EExtended strand (participates in β ladder)trans-72.3146-164.930.2-39.7000114.8L222 S232 L253 T256 P259 F261 L285L222-P234 HydrophobicContact CD1-CB 3.61Å; L222-P234 HydrophobicContact CD1-CG 4.08Å; S232-P234 WeakPolarHBondContact O-CD 3.49Å; P234-L253 VanDerWaalsContact CD-O 3.28Å; P234-L253 WeakPolarHBondContact CD-O 3.41Å; P234-L253 PolarHBondContact O-N 3.02Å; P234-L253 VanDerWaalsContact O-N 3.08Å; P234-T256 VanDerWaalsContact CD-O 3.26Å; P234-T256 WeakPolarHBondContact CD-O 3.46Å; P234-T256 HydrophobicContact CG-CG2 3.77Å; P234-T256 WeakPolarHBondContact CG-O 3.48Å; P234-P259 HydrophobicContact CB-CB 4.44Å; P234-P259 HydrophobicContact CB-CG 4.03Å; P234-P259 HydrophobicContact CG-CB 3.69Å; P234-P259 HydrophobicContact CG-CG 3.63Å; P234-F261 HydrophobicContact CB-CZ 4.44Å; P234-L285 CarbonylContact C-O 3.58Å; P234-L285 VanDerWaalsContact CA-O 3.26Å; P234-L285 WeakPolarHBondContact CA-O 3.42Å
235Y96.8Very high80.9Confident14 Ų1455.1 Ų55.16%0.05529%0.292CS..EExtended strand (participates in β ladder)trans-150.8161164.280.7-82.4000112.1K237 K249 R251 V252 L285 F287 D293Y235-K237 HydrophobicContact CD2-CG 4.42Å; Y235-K237 HydrophobicContact CE2-CD 4.3Å; Y235-K237 VanDerWaalsContact CE2-CE 3.46Å; Y235-K237 HydrophobicContact CE2-CG 3.78Å; Y235-K237 VanDerWaalsContact CZ-CE 3.44Å; Y235-K237 WeakPolarHBondContact OH-CE 3.27Å; Y235-K237 PolarHBondContact OH-NZ 3.38Å; Y235-K249 HydrophobicContact CE2-CD 4.24Å; Y235-R251 WeakPolarHBondContact CB-O 3.37Å; Y235-V252 HydrophobicContact CD1-CG2 3.95Å; Y235-V252 HydrophobicContact CG-CG2 4.05Å; Y235-L285 HydrophobicContact CD1-CB 4.28Å; Y235-L285 HydrophobicContact CE1-CB 4Å; Y235-L285 HydrophobicContact CE2-CD1 4.4Å; Y235-L285 PolarHBondContact N-O 2.84Å; Y235-L285 PolarHBondContact O-N 3.21Å; Y235-F287 HydrophobicContact CD1-CB 4.1Å; Y235-F287 HydrophobicContact CE1-CB 4.13Å; Y235-D293 HydrophobicContact CE1-CB 4.42Å; Y235-D293 PolarHBondContact OH-OD2 2.89Å
236V96.8Very high80.7Confident1 Ų155.6 Ų55.61%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-116.6130-176.1-175.10000110.8I199 V216 K249 T250 F261 F282 L283 V284I199-V236 HydrophobicContact CD1-CG1 4.02Å; I199-V236 HydrophobicContact CD1-CG2 4.01Å; V216-V236 HydrophobicContact CG1-CG2 4.42Å; V236-K249 CarbonylContact O-C 3.47Å; V236-K249 VanDerWaalsContact O-CA 3.28Å; V236-K249 WeakPolarHBondContact O-CA 3.36Å; V236-T250 HydrophobicContact CB-CG2 4.04Å; V236-T250 PolarHBondContact N-OG1 2.97Å; V236-T250 PolarHBondContact O-N 2.86Å; V236-F261 HydrophobicContact CG2-CD2 4.26Å; V236-F261 HydrophobicContact CG2-CE2 3.6Å; V236-F261 HydrophobicContact CG2-CZ 3.94Å; V236-F282 HydrophobicContact CG1-CB 3.88Å; V236-F282 HydrophobicContact CG1-CD1 3.95Å; V236-F282 HydrophobicContact CG1-CG 4.42Å; V236-L283 CarbonylContact C-O 3.43Å; V236-L283 WeakPolarHBondContact CA-O 3.13Å; V236-V284 HydrophobicContact CG2-CG2 4.31Å
237K93.6Very high81.4Confident45 Ų4560.7 Ų60.720%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-97.2113.4165.9-59.5173.4-176146.30107.8Y235 K249 L283 L285 D293Y235-K237 HydrophobicContact CD2-CG 4.42Å; Y235-K237 HydrophobicContact CE2-CD 4.3Å; Y235-K237 VanDerWaalsContact CE2-CE 3.46Å; Y235-K237 HydrophobicContact CE2-CG 3.78Å; Y235-K237 VanDerWaalsContact CZ-CE 3.44Å; Y235-K237 WeakPolarHBondContact OH-CE 3.27Å; Y235-K237 PolarHBondContact OH-NZ 3.38Å; K237-K249 HydrophobicContact CG-CD 4.44Å; K237-K249 HydrophobicContact CG-CG 4.17Å; K237-L283 HydrophobicContact CB-CB 4.29Å; K237-L283 HydrophobicContact CD-CD2 4.29Å; K237-L283 PolarHBondContact N-O 3.1Å; K237-L283 PolarHBondContact O-N 3.08Å; K237-L285 HydrophobicContact CB-CD1 4.43Å; K237-L285 HydrophobicContact CD-CD1 3.56Å; K237-L285 HydrophobicContact CG-CD1 3.73Å; K237-D293 IonicContact NZ-OD2 2.96Å; K237-D293 PolarHBondContact NZ-OD2 3.3Å
238M93.6Very high82.7Confident3 Ų354.4 Ų54.42%0.01528%0.277CS..EExtended strand (participates in β ladder)trans-100.1135.7178.2175-166.5171.800110.2V214 I240 R247 V248 F265 F267 L280 H281 F282V214-M238 HydrophobicContact CB-CE 3.81Å; V214-M238 HydrophobicContact CB-SD 4.27Å; V214-M238 HydrophobicContact CG1-CE 3.82Å; V214-M238 HydrophobicContact CG1-SD 4.06Å; V214-M238 HydrophobicContact CG2-CE 3.79Å; M238-I240 HydrophobicContact CE-CG1 4.39Å; M238-R247 WeakPolarHBondContact O-CA 3.46Å; M238-V248 HydrophobicContact CB-CG2 3.75Å; M238-V248 HydrophobicContact CG-CG2 4.22Å; M238-V248 PolarHBondContact N-O 3.13Å; M238-V248 PolarHBondContact O-N 2.68Å; M238-V248 HydrophobicContact SD-CG2 3.99Å; M238-F265 HydrophobicContact SD-CD2 4.27Å; M238-F267 HydrophobicContact CE-CE2 3.55Å; M238-F267 HydrophobicContact CE-CZ 3.68Å; M238-F267 HydrophobicContact SD-CE2 4.07Å; M238-F267 HydrophobicContact SD-CZ 3.86Å; M238-L280 HydrophobicContact CE-CD1 4.12Å; M238-L280 HydrophobicContact CE-CD2 3.74Å; M238-L280 HydrophobicContact CE-CG 4.35Å; M238-H281 CarbonylContact C-O 3.23Å; M238-H281 WeakPolarHBondContact CA-O 3.49Å; M238-F282 HydrophobicContact CB-CD1 3.86Å; M238-F282 HydrophobicContact CB-CE1 3.99Å; M238-F282 HydrophobicContact CE-CE1 4.36Å; M238-F282 HydrophobicContact CE-CZ 4.43Å; M238-F282 HydrophobicContact CG-CD1 3.84Å; M238-F282 HydrophobicContact CG-CE1 3.54Å; M238-F282 HydrophobicContact CG-CZ 4.3Å; M238-F282 HydrophobicContact SD-CE1 3.73Å; M238-F282 HydrophobicContact SD-CZ 4.36Å
239T89.2Confident84Confident13 Ų1352 Ų528%0.0826%0.264CS..EExtended strand (participates in β ladder)trans-132.6141.5175.2-56.40000110.1L241 K244 H246 R247 H281T239-L241 HydrophobicContact CG2-CD2 4.23Å; T239-K244 HydrophobicContact CG2-CB 4.17Å; T239-K244 HydrophobicContact CG2-CG 4.01Å; T239-H246 WeakPolarHBondContact CA-O 3.35Å; T239-R247 HydrophobicContact CG2-CG 3.92Å; T239-H281 PolarHBondContact N-O 3.1Å; T239-H281 PolarHBondContact O-N 2.92Å
240I88.5Confident85.5Confident2 Ų250.2 Ų50.21%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-90.4133.4168.3-53.8-177.6000108.9L212 M238 E243 K244 H246 F267 L278 L280L212-I240 HydrophobicContact CD2-CD1 4.24Å; M238-I240 HydrophobicContact CE-CG1 4.39Å; I240-E243 CarbonylContact O-C 3.6Å; I240-E243 VanDerWaalsContact O-C 3.23Å; I240-E243 VanDerWaalsContact O-O 3.06Å; I240-K244 PolarHBondContact O-N 2.81Å; I240-H246 HydrophobicContact CB-CB 4.12Å; I240-H246 HydrophobicContact CD1-CB 3.95Å; I240-H246 HydrophobicContact CG1-CB 4.01Å; I240-H246 PolarHBondContact N-O 3.25Å; I240-F267 HydrophobicContact CD1-CB 4.07Å; I240-F267 HydrophobicContact CD1-CD1 3.66Å; I240-F267 HydrophobicContact CD1-CD2 3.97Å; I240-F267 HydrophobicContact CD1-CE1 4.02Å; I240-F267 HydrophobicContact CD1-CE2 4.32Å; I240-F267 HydrophobicContact CD1-CG 3.62Å; I240-F267 HydrophobicContact CD1-CZ 4.33Å; I240-F267 HydrophobicContact CG1-CE1 4.43Å; I240-L278 HydrophobicContact CG2-CB 4.35Å; I240-L278 HydrophobicContact CG2-CD1 4.13Å; I240-L278 HydrophobicContact CG2-CD2 4Å; I240-L278 HydrophobicContact CG2-CG 4.39Å; I240-L280 HydrophobicContact CG1-CD2 4Å
241L83.6Confident86.3Confident41 Ų4153.3 Ų53.322%0.21525%0.246CC..EExtended strand (participates in β ladder)trans-110.2150.1174.8-58.3-179.1000110T239 K244 L278 T279 H281T239-L241 HydrophobicContact CG2-CD2 4.23Å; L241-K244 HydrophobicContact CD2-CD 4.25Å; L241-K244 HydrophobicContact CD2-CG 3.6Å; L241-L278 WeakPolarHBondContact O-CA 3.15Å; L241-L278 WeakPolarHBondContact O-CD2 3.2Å; L241-T279 WeakPolarHBondContact CB-O 3.25Å; L241-T279 PolarHBondContact N-O 3.03Å; L241-T279 PolarHBondContact O-N 3.4Å; L241-H281 HydrophobicContact CD1-CB 3.87Å; L241-H281 HydrophobicContact CG-CB 4.09Å
242P70.7Confident86.8Confident101 Ų10155.1 Ų55.166%0.65626%0.256SS*.SBendcis-78.6-22.12.931.5-35.4000113.8K244P242-K244 PolarHBondContact O-N 3.1Å
243E62.3Low87Confident98 Ų9856.7 Ų56.746%0.45826%0.264SS..  trans-77.984.1-177.5-62.4-155150.100112.7I240 K245I240-E243 CarbonylContact O-C 3.6Å; I240-E243 VanDerWaalsContact O-C 3.23Å; I240-E243 VanDerWaalsContact O-O 3.06Å; E243-K245 HydrophobicContact CB-CD 4.33Å; E243-K245 HydrophobicContact CB-CG 4.41Å; E243-K245 PolarHBondContact O-N 2.81Å; E243-K245 IonicContact OE1-NZ 2.92Å; E243-K245 PolarHBondContact OE1-NZ 3.44Å; E243-K245 WeakPolarHBondContact OE2-CD 3.18Å; E243-K245 VanDerWaalsContact OE2-CE 3.29Å; E243-K245 WeakPolarHBondContact OE2-CE 3.27Å; E243-K245 IonicContact OE2-NZ 2.66Å; E243-K245 PolarHBondContact OE2-NZ 3.04Å
244K65.9Low87Confident102 Ų10263.7 Ų63.744%0.44329%0.289SS..THydrogen-bonded Turntrans-56.512.6175.6-67.5-173.9175.8-179.50116T239 I240 L241 P242 R247 E327T239-K244 HydrophobicContact CG2-CB 4.17Å; T239-K244 HydrophobicContact CG2-CG 4.01Å; I240-K244 PolarHBondContact O-N 2.81Å; L241-K244 HydrophobicContact CD2-CD 4.25Å; L241-K244 HydrophobicContact CD2-CG 3.6Å; P242-K244 PolarHBondContact O-N 3.1Å; K244-R247 WeakPolarHBondContact O-CD 3.34Å; K244-R247 WeakPolarHBondContact O-CG 3.36Å; K244-E327 IonicContact NZ-OE1 2.68Å; K244-E327 PolarHBondContact NZ-OE1 3.08Å
245K68.8Low86.8Confident149 Ų14971.1 Ų71.165%0.64832%0.321SS*.THydrogen-bonded Turntrans-63.1-43170.5-57.5172.4-170.7162.50111.4E243 R247E243-K245 HydrophobicContact CB-CD 4.33Å; E243-K245 HydrophobicContact CB-CG 4.41Å; E243-K245 PolarHBondContact O-N 2.81Å; E243-K245 IonicContact OE1-NZ 2.92Å; E243-K245 PolarHBondContact OE1-NZ 3.44Å; E243-K245 WeakPolarHBondContact OE2-CD 3.18Å; E243-K245 VanDerWaalsContact OE2-CE 3.29Å; E243-K245 WeakPolarHBondContact OE2-CE 3.27Å; E243-K245 IonicContact OE2-NZ 2.66Å; E243-K245 PolarHBondContact OE2-NZ 3.04Å; K245-R247 PolarHBondContact O-N 2.86Å
246H76.4Confident86.7Confident62 Ų6272.1 Ų72.129%0.28733%0.329SS..  trans-88.9102.5-176.1-63.6-66.9000110.5T239 I240 F267T239-H246 WeakPolarHBondContact CA-O 3.35Å; I240-H246 HydrophobicContact CB-CB 4.12Å; I240-H246 HydrophobicContact CD1-CB 3.95Å; I240-H246 HydrophobicContact CG1-CB 4.01Å; I240-H246 PolarHBondContact N-O 3.25Å; H246-F267 HydrophobicContact CB-CD1 3.85Å; H246-F267 HydrophobicContact CB-CE1 4.02Å
247R85.9Confident86.6Confident181 Ų18174.5 Ų74.568%0.68334%0.341SS*.EExtended strand (participates in β ladder)trans-131.4128.9-179.3-58.217776.3-167.77.2109.9M238 T239 K244 K245M238-R247 WeakPolarHBondContact O-CA 3.46Å; T239-R247 HydrophobicContact CG2-CG 3.92Å; K244-R247 WeakPolarHBondContact O-CD 3.34Å; K244-R247 WeakPolarHBondContact O-CG 3.36Å; K245-R247 PolarHBondContact O-N 2.86Å
248V89.9Confident86.7Confident37 Ų3775.8 Ų75.822%0.22435%0.35CS..EExtended strand (participates in β ladder)trans-135.2167.9177.4-60.20000110.2M238 F265 F267M238-V248 HydrophobicContact CB-CG2 3.75Å; M238-V248 HydrophobicContact CG-CG2 4.22Å; M238-V248 PolarHBondContact N-O 3.13Å; M238-V248 PolarHBondContact O-N 2.68Å; M238-V248 HydrophobicContact SD-CG2 3.99Å; V248-F265 HydrophobicContact CB-CD1 3.75Å; V248-F265 HydrophobicContact CB-CE1 3.92Å; V248-F265 HydrophobicContact CB-CG 4.18Å; V248-F265 HydrophobicContact CB-CZ 4.5Å; V248-F265 HydrophobicContact CG1-CD1 4.03Å; V248-F265 HydrophobicContact CG1-CG 4.45Å; V248-F265 HydrophobicContact CG2-CB 4.18Å; V248-F265 HydrophobicContact CG2-CD1 3.67Å; V248-F265 HydrophobicContact CG2-CD2 3.8Å; V248-F265 HydrophobicContact CG2-CE1 3.96Å; V248-F265 HydrophobicContact CG2-CE2 4.08Å; V248-F265 HydrophobicContact CG2-CG 3.59Å; V248-F265 HydrophobicContact CG2-CZ 4.16Å; V248-F267 HydrophobicContact CG1-CE1 3.93Å; V248-F267 HydrophobicContact CG1-CZ 4.11Å; V248-F267 HydrophobicContact CG2-CE1 4.45Å; V248-F267 HydrophobicContact CG2-CZ 3.91Å
249K93.3Very high86.8Confident117 Ų11775.7 Ų75.751%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-137.1144.7177.4-52.1-177.4-178175.20109.1Y235 V236 K237 F265Y235-K249 HydrophobicContact CE2-CD 4.24Å; V236-K249 CarbonylContact O-C 3.47Å; V236-K249 VanDerWaalsContact O-CA 3.28Å; V236-K249 WeakPolarHBondContact O-CA 3.36Å; K237-K249 HydrophobicContact CG-CD 4.44Å; K237-K249 HydrophobicContact CG-CG 4.17Å; K249-F265 WeakPolarHBondContact O-CZ 3.2Å
250T96.5Very high87.2Confident5 Ų581 Ų813%0.03138%0.377CS..PPolyproline II helixtrans-74.1169.8164.765.30000111V216 V236 F261 E263 F265V216-T250 HydrophobicContact CB-CG2 4.09Å; V216-T250 HydrophobicContact CG1-CG2 3.97Å; V216-T250 HydrophobicContact CG2-CG2 4.42Å; V236-T250 HydrophobicContact CB-CG2 4.04Å; V236-T250 PolarHBondContact N-OG1 2.97Å; V236-T250 PolarHBondContact O-N 2.86Å; T250-F261 HydrophobicContact CG2-CB 4.17Å; T250-F261 HydrophobicContact CG2-CD1 4.07Å; T250-F261 HydrophobicContact CG2-CD2 4.49Å; T250-F261 HydrophobicContact CG2-CG 4Å; T250-F261 WeakPolarHBondContact OG1-CE1 3.45Å; T250-E263 WeakPolarHBondContact CA-OE2 3.46Å; T250-E263 WeakPolarHBondContact CB-OE1 3.35Å; T250-E263 HydrophobicContact CG2-CB 4.46Å; T250-F265 HydrophobicContact CG2-CE2 4.23Å; T250-F265 HydrophobicContact CG2-CZ 4.18Å
251R94.9Very high87.6Confident114 Ų11480.9 Ų80.943%0.4338%0.376SS..PPolyproline II helixtrans-63.7157.5160.572.9-151.5147.9147.5-7.7111.2Y235 L253 F261 E263Y235-R251 WeakPolarHBondContact CB-O 3.37Å; R251-L253 HydrophobicContact CG-CD2 3.95Å; R251-L253 HydrophobicContact CG-CG 4.38Å; R251-F261 PolarHBondContact NH2-O 2.85Å; R251-E263 VanDerWaalsContact CD-OE1 3.28Å; R251-E263 WeakPolarHBondContact CD-OE1 3.32Å; R251-E263 WeakPolarHBondContact CG-OE1 3.4Å; R251-E263 PolarHBondContact N-OE1 2.77Å; R251-E263 PolarHBondContact N-OE2 3.31Å; R251-E263 VanDerWaalsContact N-OE2 3.1Å; R251-E263 IonicContact NE-OE1 3.44Å; R251-E263 PolarHBondContact NE-OE1 2.79Å
252V95.9Very high88.2Confident53 Ų5382.4 Ų82.432%0.32139%0.385SS..PPolyproline II helixtrans-78.9124.9167-179.70000108.5D233 Y235 F287D233-V252 HydrophobicContact CB-CG1 4.1Å; Y235-V252 HydrophobicContact CD1-CG2 3.95Å; Y235-V252 HydrophobicContact CG-CG2 4.05Å; V252-F287 HydrophobicContact CG1-CB 3.72Å; V252-F287 HydrophobicContact CG1-CD1 4.16Å; V252-F287 HydrophobicContact CG1-CG 4.11Å; V252-F287 HydrophobicContact CG2-CB 3.95Å; V252-F287 HydrophobicContact CG2-CD2 4.38Å; V252-F287 HydrophobicContact CG2-CG 4.07Å
253L95Very high89.4Confident37 Ų3778.2 Ų78.219%0.19436%0.356CS..PPolyproline II helixtrans-100.1143.9166.4-60.9178.6000108D233 P234 R251 T256 P259 I260 F261D233-L253 CarbonylContact C-O 3.38Å; D233-L253 WeakPolarHBondContact CA-O 3.47Å; P234-L253 VanDerWaalsContact CD-O 3.28Å; P234-L253 WeakPolarHBondContact CD-O 3.41Å; P234-L253 PolarHBondContact O-N 3.02Å; P234-L253 VanDerWaalsContact O-N 3.08Å; R251-L253 HydrophobicContact CG-CD2 3.95Å; R251-L253 HydrophobicContact CG-CG 4.38Å; L253-T256 HydrophobicContact CB-CG2 3.99Å; L253-P259 HydrophobicContact CB-CB 4.43Å; L253-P259 HydrophobicContact CD1-CB 3.78Å; L253-I260 VanDerWaalsContact CD1-O 3.26Å; L253-I260 WeakPolarHBondContact CD1-O 3.48Å; L253-F261 HydrophobicContact CD1-CD1 3.68Å; L253-F261 HydrophobicContact CD1-CE1 3.86Å; L253-F261 HydrophobicContact CD1-CG 4.38Å; L253-F261 HydrophobicContact CG-CD1 4.06Å; L253-F261 HydrophobicContact CG-CE1 4.01Å
254R93.4Very high91Very high163 Ų16374.1 Ų74.162%0.61534%0.338SS*.  trans-108.3142.8-170.2-56.3-155.875.1173.45.9112.4D233 T256D233-R254 WeakPolarHBondContact OD1-CA 3.34Å; D233-R254 WeakPolarHBondContact OD1-CB 3.42Å; D233-R254 IonicContact OD1-NE 3.6Å; D233-R254 IonicContact OD2-CZ 2.74Å; D233-R254 IonicContact OD2-NE 2.82Å; D233-R254 PolarHBondContact OD2-NE 2.9Å; D233-R254 IonicContact OD2-NH2 2.73Å; D233-R254 PolarHBondContact OD2-NH2 2.79Å; R254-T256 PolarHBondContact O-N 2.88Å
255K91.6Very high92.4Very high155 Ų15569.9 Ų69.967%0.67432%0.32SS*.SBendtrans46.656.5177.4-61.3-167.5171-158.90113.3S231 S232 D233S231-K255 VanDerWaalsContact OG-CA 3.29Å; S231-K255 WeakPolarHBondContact OG-CA 3.27Å; S232-K255 CarbonylContact O-C 3.57Å; S232-K255 VanDerWaalsContact O-CA 3.26Å; S232-K255 WeakPolarHBondContact O-CA 3.45Å; S232-K255 PolarHBondContact O-N 2.92Å; S232-K255 VanDerWaalsContact O-N 3.11Å; D233-K255 PolarHBondContact OD1-N 2.91Å
256T94.5Very high93.7Very high36 Ų3664.2 Ų64.222%0.22130%0.298CS..  trans-144.6142.2177.1-177.60000112.4S231 S232 P234 L253 R254 D258 P259S231-T256 PolarHBondContact OG-N 2.85Å; S232-T256 PolarHBondContact O-N 3.03Å; P234-T256 VanDerWaalsContact CD-O 3.26Å; P234-T256 WeakPolarHBondContact CD-O 3.46Å; P234-T256 HydrophobicContact CG-CG2 3.77Å; P234-T256 WeakPolarHBondContact CG-O 3.48Å; L253-T256 HydrophobicContact CB-CG2 3.99Å; R254-T256 PolarHBondContact O-N 2.88Å; T256-D258 PolarHBondContact OG1-N 3.24Å; T256-D258 VanDerWaalsContact OG1-N 3.14Å; T256-D258 PolarHBondContact OG1-O 2.92Å; T256-P259 HydrophobicContact CG2-CB 3.93Å
257L94.5Very high94.4Very high50 Ų5061.8 Ų61.826%0.26229%0.286SS..SBendtrans-103.2-8.9172.2-55.7-174.7000112.2G221 L222 A224 P259G221-L257 PolarHBondContact N-O 3.13Å; L222-L257 WeakPolarHBondContact CB-O 3.49Å; L222-L257 WeakPolarHBondContact CG-O 3.17Å; L222-L257 PolarHBondContact N-O 2.95Å; L222-L257 WeakPolarHBondContact O-CB 3.24Å; L222-L257 WeakPolarHBondContact O-CD2 3.47Å; A224-L257 HydrophobicContact CB-CD1 4.45Å; A224-L257 HydrophobicContact CB-CD2 4.35Å; L257-P259 VanDerWaalsContact C-CD 3.41Å; L257-P259 WeakPolarHBondContact O-CD 3.14Å
258D95.8Very high94.7Very high72 Ų7257.7 Ų57.739%0.38527%0.271SS..SBendtrans-125.764.6176.2-71.1-93.5000110.2A219 R220 G221 T256 I260A219-D258 CarbonylContact O-C 3.56Å; A219-D258 VanDerWaalsContact O-CA 3.31Å; A219-D258 WeakPolarHBondContact O-CA 3.43Å; R220-D258 WeakPolarHBondContact CA-OD1 3.33Å; R220-D258 VanDerWaalsContact CB-OD1 3.28Å; R220-D258 WeakPolarHBondContact CB-OD1 3.38Å; R220-D258 WeakPolarHBondContact CG-OD1 3.43Å; R220-D258 IonicContact NH1-OD1 3.62Å; R220-D258 PolarHBondContact NH1-OD1 3.39Å; G221-D258 PolarHBondContact N-OD1 3.34Å; T256-D258 PolarHBondContact OG1-N 3.24Å; T256-D258 VanDerWaalsContact OG1-N 3.14Å; T256-D258 PolarHBondContact OG1-O 2.92Å; D258-I260 PolarHBondContact O-N 3.06Å
259P96.3Very high94.5Very high1 Ų159.2 Ų59.21%0.00630%0.295CS..  trans-67.1129.9-178.126.5-35.1000112.7G218 A219 L222 P234 L253 T256 L257 F261G218-P259 CarbonylContact C-O 3.12Å; G218-P259 WeakPolarHBondContact CA-O 3.4Å; A219-P259 HydrophobicContact CB-CG 3.9Å; A219-P259 PolarHBondContact N-O 3.07Å; A219-P259 WeakPolarHBondContact O-CD 3.44Å; L222-P259 HydrophobicContact CD1-CG 3.76Å; P234-P259 HydrophobicContact CB-CB 4.44Å; P234-P259 HydrophobicContact CB-CG 4.03Å; P234-P259 HydrophobicContact CG-CB 3.69Å; P234-P259 HydrophobicContact CG-CG 3.63Å; L253-P259 HydrophobicContact CB-CB 4.43Å; L253-P259 HydrophobicContact CD1-CB 3.78Å; T256-P259 HydrophobicContact CG2-CB 3.93Å; L257-P259 VanDerWaalsContact C-CD 3.41Å; L257-P259 WeakPolarHBondContact O-CD 3.14Å; P259-F261 HydrophobicContact CB-CD2 4.39Å; P259-F261 HydrophobicContact CB-CE1 4.01Å; P259-F261 HydrophobicContact CB-CE2 3.76Å; P259-F261 HydrophobicContact CB-CZ 3.54Å; P259-F261 HydrophobicContact CG-CE2 3.68Å; P259-F261 HydrophobicContact CG-CZ 3.71Å
260I97.3Very high94.4Very high124 Ų12454.2 Ų54.264%0.63627%0.274SS*.EExtended strand (participates in β ladder)trans-102.6102170.1-55.6177.6000108.4V217 L253 D258V217-I260 CarbonylContact O-C 3.55Å; L253-I260 VanDerWaalsContact CD1-O 3.26Å; L253-I260 WeakPolarHBondContact CD1-O 3.48Å; D258-I260 PolarHBondContact O-N 3.06Å
261F96.7Very high94.1Very high0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-83.2-43.5-177.4-61.8-68.6000112.7V216 V217 P234 V236 T250 R251 L253 P259 E263V216-F261 HydrophobicContact CG1-CB 4.2Å; V216-F261 HydrophobicContact CG1-CD2 3.81Å; V216-F261 HydrophobicContact CG1-CG 4.3Å; V217-F261 PolarHBondContact O-N 3.05Å; P234-F261 HydrophobicContact CB-CZ 4.44Å; V236-F261 HydrophobicContact CG2-CD2 4.26Å; V236-F261 HydrophobicContact CG2-CE2 3.6Å; V236-F261 HydrophobicContact CG2-CZ 3.94Å; T250-F261 HydrophobicContact CG2-CB 4.17Å; T250-F261 HydrophobicContact CG2-CD1 4.07Å; T250-F261 HydrophobicContact CG2-CD2 4.49Å; T250-F261 HydrophobicContact CG2-CG 4Å; T250-F261 WeakPolarHBondContact OG1-CE1 3.45Å; R251-F261 PolarHBondContact NH2-O 2.85Å; L253-F261 HydrophobicContact CD1-CD1 3.68Å; L253-F261 HydrophobicContact CD1-CE1 3.86Å; L253-F261 HydrophobicContact CD1-CG 4.38Å; L253-F261 HydrophobicContact CG-CD1 4.06Å; L253-F261 HydrophobicContact CG-CE1 4.01Å; P259-F261 HydrophobicContact CB-CD2 4.39Å; P259-F261 HydrophobicContact CB-CE1 4.01Å; P259-F261 HydrophobicContact CB-CE2 3.76Å; P259-F261 HydrophobicContact CB-CZ 3.54Å; P259-F261 HydrophobicContact CG-CE2 3.68Å; P259-F261 HydrophobicContact CG-CZ 3.71Å; F261-E263 PolarHBondContact O-N 2.84Å; F261-E263 VanDerWaalsContact O-N 3.12Å
262D96.1Very high94Very high74 Ų7454.4 Ų54.440%0.39628%0.284SS..EExtended strand (participates in β ladder)trans35.943.6-168.9-163.237.3000115.1T215 V216 V217T215-D262 WeakPolarHBondContact CG2-OD1 3.38Å; V216-D262 WeakPolarHBondContact O-CA 3.46Å; V216-D262 PolarHBondContact O-N 3.07Å; V216-D262 VanDerWaalsContact O-N 3.09Å; V217-D262 PolarHBondContact O-N 2.88Å
263E96.7Very high93.9Very high13 Ų1356.8 Ų56.86%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-100.6122.4-177-86.8172.9-10700111.4T215 V216 T250 R251 F261 F265T215-E263 CarbonylContact C-O 3.51Å; T215-E263 VanDerWaalsContact CA-O 3.32Å; T215-E263 WeakPolarHBondContact CA-O 3.32Å; V216-E263 PolarHBondContact N-O 2.93Å; V216-E263 PolarHBondContact O-N 3.15Å; T250-E263 WeakPolarHBondContact CA-OE2 3.46Å; T250-E263 WeakPolarHBondContact CB-OE1 3.35Å; T250-E263 HydrophobicContact CG2-CB 4.46Å; R251-E263 VanDerWaalsContact CD-OE1 3.28Å; R251-E263 WeakPolarHBondContact CD-OE1 3.32Å; R251-E263 WeakPolarHBondContact CG-OE1 3.4Å; R251-E263 PolarHBondContact N-OE1 2.77Å; R251-E263 PolarHBondContact N-OE2 3.31Å; R251-E263 VanDerWaalsContact N-OE2 3.1Å; R251-E263 IonicContact NE-OE1 3.44Å; R251-E263 PolarHBondContact NE-OE1 2.79Å; F261-E263 PolarHBondContact O-N 2.84Å; F261-E263 VanDerWaalsContact O-N 3.12Å; E263-F265 HydrophobicContact CB-CE2 4.06Å; E263-F265 HydrophobicContact CB-CZ 3.9Å
264T96.3Very high93.6Very high12 Ų1256.8 Ų56.87%0.07431%0.308CS..EExtended strand (participates in β ladder)trans-102.4116.9-176.2-56.80000111.8V213 T215V213-T264 HydrophobicContact CG1-CG2 3.53Å; T215-T264 PolarHBondContact OG1-OG1 2.65Å
265F95.3Very high93.6Very high13 Ų1349.3 Ų49.36%0.05728%0.28CS..EExtended strand (participates in β ladder)trans-104.2138.2176.6-53.4-73.1000110.7V213 V214 V216 M238 V248 K249 T250 E263 F267V213-F265 WeakPolarHBondContact CA-O 3.34Å; V214-F265 PolarHBondContact N-O 3.48Å; V214-F265 PolarHBondContact O-N 2.82Å; V216-F265 HydrophobicContact CB-CE2 4.42Å; V216-F265 HydrophobicContact CG2-CD2 4.29Å; V216-F265 HydrophobicContact CG2-CE2 3.91Å; M238-F265 HydrophobicContact SD-CD2 4.27Å; V248-F265 HydrophobicContact CB-CD1 3.75Å; V248-F265 HydrophobicContact CB-CE1 3.92Å; V248-F265 HydrophobicContact CB-CG 4.18Å; V248-F265 HydrophobicContact CB-CZ 4.5Å; V248-F265 HydrophobicContact CG1-CD1 4.03Å; V248-F265 HydrophobicContact CG1-CG 4.45Å; V248-F265 HydrophobicContact CG2-CB 4.18Å; V248-F265 HydrophobicContact CG2-CD1 3.67Å; V248-F265 HydrophobicContact CG2-CD2 3.8Å; V248-F265 HydrophobicContact CG2-CE1 3.96Å; V248-F265 HydrophobicContact CG2-CE2 4.08Å; V248-F265 HydrophobicContact CG2-CG 3.59Å; V248-F265 HydrophobicContact CG2-CZ 4.16Å; K249-F265 WeakPolarHBondContact O-CZ 3.2Å; T250-F265 HydrophobicContact CG2-CE2 4.23Å; T250-F265 HydrophobicContact CG2-CZ 4.18Å; E263-F265 HydrophobicContact CB-CE2 4.06Å; E263-F265 HydrophobicContact CB-CZ 3.9Å; F265-F267 HydrophobicContact CB-CE2 3.65Å; F265-F267 HydrophobicContact CB-CZ 3.77Å
266T94.8Very high93.6Very high30 Ų3045 Ų4518%0.18427%0.268CS..EExtended strand (participates in β ladder)trans-122.2119.3-178.8-59.40000110.8A211 V213 Y268A211-T266 HydrophobicContact CB-CG2 3.77Å; V213-T266 HydrophobicContact CG2-CG2 4.2Å; T266-Y268 HydrophobicContact CG2-CD2 4.08Å; T266-Y268 HydrophobicContact CG2-CE1 4.3Å; T266-Y268 HydrophobicContact CG2-CE2 3.59Å
267F92.7Very high93.3Very high10 Ų1049.5 Ų49.54%0.04429%0.291CS..EExtended strand (participates in β ladder)trans-107.989.5-173.6-57.5-85.5000110.5A211 L212 V214 M238 I240 H246 V248 F265 V270A211-F267 VanDerWaalsContact CA-O 3.3Å; A211-F267 WeakPolarHBondContact CA-O 3.4Å; L212-F267 HydrophobicContact CB-CB 4.36Å; L212-F267 PolarHBondContact N-O 2.88Å; L212-F267 VanDerWaalsContact N-O 3.12Å; L212-F267 PolarHBondContact O-N 2.87Å; V214-F267 HydrophobicContact CB-CE2 4.33Å; V214-F267 HydrophobicContact CG2-CE2 4.32Å; M238-F267 HydrophobicContact CE-CE2 3.55Å; M238-F267 HydrophobicContact CE-CZ 3.68Å; M238-F267 HydrophobicContact SD-CE2 4.07Å; M238-F267 HydrophobicContact SD-CZ 3.86Å; I240-F267 HydrophobicContact CD1-CB 4.07Å; I240-F267 HydrophobicContact CD1-CD1 3.66Å; I240-F267 HydrophobicContact CD1-CD2 3.97Å; I240-F267 HydrophobicContact CD1-CE1 4.02Å; I240-F267 HydrophobicContact CD1-CE2 4.32Å; I240-F267 HydrophobicContact CD1-CG 3.62Å; I240-F267 HydrophobicContact CD1-CZ 4.33Å; I240-F267 HydrophobicContact CG1-CE1 4.43Å; H246-F267 HydrophobicContact CB-CD1 3.85Å; H246-F267 HydrophobicContact CB-CE1 4.02Å; V248-F267 HydrophobicContact CG1-CE1 3.93Å; V248-F267 HydrophobicContact CG1-CZ 4.11Å; V248-F267 HydrophobicContact CG2-CE1 4.45Å; V248-F267 HydrophobicContact CG2-CZ 3.91Å; F265-F267 HydrophobicContact CB-CE2 3.65Å; F265-F267 HydrophobicContact CB-CZ 3.77Å; F267-V270 HydrophobicContact CB-CG2 3.96Å
268Y91.1Very high93.1Very high96 Ų9648.2 Ų48.238%0.37628%0.284SS..EExtended strand (participates in β ladder)trans-67.6141.7177.9-61.7-93.1000112.3M71 K209 A211 T266 V270M71-Y268 WeakPolarHBondContact CG-OH 3.37Å; K209-Y268 HydrophobicContact CB-CD1 4.33Å; K209-Y268 HydrophobicContact CB-CE1 4.06Å; K209-Y268 HydrophobicContact CD-CE1 4.17Å; K209-Y268 HydrophobicContact CG-CE1 4.44Å; A211-Y268 HydrophobicContact CB-CD1 3.93Å; A211-Y268 HydrophobicContact CB-CE1 4.38Å; A211-Y268 HydrophobicContact CB-CG 4.21Å; T266-Y268 HydrophobicContact CG2-CD2 4.08Å; T266-Y268 HydrophobicContact CG2-CE1 4.3Å; T266-Y268 HydrophobicContact CG2-CE2 3.59Å; Y268-V270 VanDerWaalsContact C-N 3.32Å
269G86.8Confident92.9Very high69 Ų6946.3 Ų46.371%0.71128%0.275SS*.THydrogen-bonded Turntrans89.6-7.8178.100000114.3K210 A271K210-G269 PolarHBondContact O-N 2.88Å; G269-A271 PolarHBondContact O-N 3.47Å
270V89.9Confident92.8Very high12 Ų1246.3 Ų46.37%0.07328%0.275CS..  trans-70.2116.2167.7178.50000108.5Y205 L212 F267 Y268 L275 L278Y205-V270 WeakPolarHBondContact CE2-O 3.38Å; Y205-V270 PolarHBondContact OH-O 3.09Å; L212-V270 HydrophobicContact CB-CB 4.03Å; L212-V270 HydrophobicContact CB-CG1 3.96Å; L212-V270 HydrophobicContact CB-CG2 4.38Å; L212-V270 HydrophobicContact CD2-CG1 4.34Å; F267-V270 HydrophobicContact CB-CG2 3.96Å; Y268-V270 VanDerWaalsContact C-N 3.32Å; V270-L275 HydrophobicContact CG1-CD2 3.73Å; V270-L278 HydrophobicContact CG1-CD1 3.61Å
271A91.4Very high92.6Very high43 Ų4341.5 Ų41.536%0.35525%0.25SC..  trans-80.7138.5176.400000111.4G269 S273 A274G269-A271 PolarHBondContact O-N 3.47Å; A271-S273 PolarHBondContact O-N 2.82Å; A271-A274 WeakPolarHBondContact O-CB 3.47Å; A271-A274 PolarHBondContact O-N 2.9Å
272Y92.9Very high92.6Very high79 Ų7941.5 Ų41.531%0.3125%0.25SC..G310 helixtrans-51.6-42.2177.8-172.6-97.2000113.2Y205 F207 A274 L275 D307 P308Y205-Y272 AromaticContact CD1-CD2 3.64Å; Y205-Y272 HydrophobicContact CD1-CD2 3.64Å; Y205-Y272 HydrophobicContact CD1-CE2 4.48Å; Y205-Y272 HydrophobicContact CD1-CG 4.45Å; Y205-Y272 HydrophobicContact CD2-CD2 4.26Å; Y205-Y272 AromaticContact CE1-CD2 3.92Å; Y205-Y272 HydrophobicContact CE1-CD2 3.92Å; Y205-Y272 HydrophobicContact CE1-CG 4.29Å; Y205-Y272 AromaticContact CG-CD2 3.83Å; Y205-Y272 HydrophobicContact CG-CD2 3.83Å; Y205-Y272 PolarHBondContact OH-N 2.91Å; Y205-Y272 VanDerWaalsContact OH-N 3.08Å; F207-Y272 HydrophobicContact CE1-CD1 4.38Å; F207-Y272 AromaticContact CE1-CD2 3.7Å; F207-Y272 HydrophobicContact CE1-CD2 3.7Å; F207-Y272 HydrophobicContact CE1-CE2 4.18Å; F207-Y272 AromaticContact CE1-CG 3.82Å; F207-Y272 HydrophobicContact CE1-CG 3.82Å; F207-Y272 AromaticContact CZ-CD2 3.75Å; F207-Y272 HydrophobicContact CZ-CD2 3.75Å; F207-Y272 AromaticContact CZ-CE2 3.79Å; F207-Y272 HydrophobicContact CZ-CE2 3.79Å; F207-Y272 HydrophobicContact CZ-CG 4.28Å; Y272-A274 PolarHBondContact O-N 3.38Å; Y272-L275 HydrophobicContact CD2-CD1 3.57Å; Y272-L275 HydrophobicContact CE2-CD1 3.86Å; Y272-L275 HydrophobicContact CG-CD1 4.25Å; Y272-L275 WeakPolarHBondContact O-CB 3.26Å; Y272-L275 VanDerWaalsContact O-CG 3.29Å; Y272-L275 WeakPolarHBondContact O-CG 3.19Å; Y272-L275 PolarHBondContact O-N 2.86Å; Y272-L275 VanDerWaalsContact O-N 3.13Å; Y272-D307 PolarHBondContact OH-OD1 2.86Å; Y272-P308 HydrophobicContact CE2-CG 4.22Å
273S92.4Very high92.5Very high103 Ų10339 Ų3972%0.7224%0.236SC*.G310 helixtrans-65.4-18.1179.154.70000114.5A271A271-S273 PolarHBondContact O-N 2.82Å
274A90.3Very high92.4Very high37 Ų3738.3 Ų38.331%0.30623%0.233SC..G310 helixtrans-90.8-13176.600000112.8A271 Y272 P276 D277 L278A271-A274 WeakPolarHBondContact O-CB 3.47Å; A271-A274 PolarHBondContact O-N 2.9Å; Y272-A274 PolarHBondContact O-N 3.38Å; A274-P276 VanDerWaalsContact C-CD 3.41Å; A274-P276 VanDerWaalsContact C-N 3.33Å; A274-D277 PolarHBondContact O-N 2.84Å; A274-D277 VanDerWaalsContact O-N 3.07Å; A274-L278 WeakPolarHBondContact O-CG 3.35Å; A274-L278 PolarHBondContact O-N 2.9Å
275L91.6Very high92.2Very high6 Ų638 Ų383%0.03123%0.231CC..G310 helixtrans-53-40.7-178.2-62.7176.4000113.6Y205 L212 V270 Y272 D277 L278 L303 P308Y205-L275 HydrophobicContact CD2-CD1 3.93Å; Y205-L275 HydrophobicContact CE2-CD1 4.44Å; Y205-L275 HydrophobicContact CG-CD1 4.4Å; L212-L275 HydrophobicContact CB-CD2 4.37Å; L212-L275 HydrophobicContact CD1-CD2 3.83Å; L212-L275 HydrophobicContact CD2-CD2 4Å; L212-L275 HydrophobicContact CG-CD2 4.29Å; V270-L275 HydrophobicContact CG1-CD2 3.73Å; Y272-L275 HydrophobicContact CD2-CD1 3.57Å; Y272-L275 HydrophobicContact CE2-CD1 3.86Å; Y272-L275 HydrophobicContact CG-CD1 4.25Å; Y272-L275 WeakPolarHBondContact O-CB 3.26Å; Y272-L275 VanDerWaalsContact O-CG 3.29Å; Y272-L275 WeakPolarHBondContact O-CG 3.19Å; Y272-L275 PolarHBondContact O-N 2.86Å; Y272-L275 VanDerWaalsContact O-N 3.13Å; L275-D277 PolarHBondContact O-N 2.83Å; L275-D277 VanDerWaalsContact O-N 3.15Å; L275-L278 HydrophobicContact CD2-CD1 4.36Å; L275-L278 PolarHBondContact O-N 2.99Å; L275-L303 HydrophobicContact CD2-CD1 4.23Å; L275-L303 VanDerWaalsContact O-CB 3.24Å; L275-L303 WeakPolarHBondContact O-CB 3.43Å; L275-P308 HydrophobicContact CD1-CG 3.82Å
276P91.9Very high92.1Very high65 Ų6537.9 Ų37.942%0.42223%0.232SC..G310 helixtrans-63-20.8179.8-2436.1000115.2A274 K304A274-P276 VanDerWaalsContact C-CD 3.41Å; A274-P276 VanDerWaalsContact C-N 3.33Å; P276-K304 WeakPolarHBondContact O-CB 3.14Å
277D88.6Confident91.9Very high130 Ų13040 Ų4070%0.69524%0.239SC*.G310 helixtrans-95.6-8.1178.5-58.4-47.6000112.7A274 L275A274-D277 PolarHBondContact O-N 2.84Å; A274-D277 VanDerWaalsContact O-N 3.07Å; L275-D277 PolarHBondContact O-N 2.83Å; L275-D277 VanDerWaalsContact O-N 3.15Å
278L90.9Very high91.5Very high24 Ų2442.4 Ų42.413%0.12625%0.252CS..  trans-89.7150.5179.5-64.7-178000112.1I240 L241 V270 A274 L275 L303I240-L278 HydrophobicContact CG2-CB 4.35Å; I240-L278 HydrophobicContact CG2-CD1 4.13Å; I240-L278 HydrophobicContact CG2-CD2 4Å; I240-L278 HydrophobicContact CG2-CG 4.39Å; L241-L278 WeakPolarHBondContact O-CA 3.15Å; L241-L278 WeakPolarHBondContact O-CD2 3.2Å; V270-L278 HydrophobicContact CG1-CD1 3.61Å; A274-L278 WeakPolarHBondContact O-CG 3.35Å; A274-L278 PolarHBondContact O-N 2.9Å; L275-L278 HydrophobicContact CD2-CD1 4.36Å; L275-L278 PolarHBondContact O-N 2.99Å; L278-L303 HydrophobicContact CB-CD1 4.29Å; L278-L303 PolarHBondContact O-N 3.09Å
279T92.1Very high91Very high32 Ų3246.7 Ų46.720%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-134.9131175.3-67.70000109.6L241 V300L241-T279 WeakPolarHBondContact CB-O 3.25Å; L241-T279 PolarHBondContact N-O 3.03Å; L241-T279 PolarHBondContact O-N 3.4Å; T279-V300 HydrophobicContact CG2-CG1 3.4Å
280L94.1Very high90.5Very high0 Ų051.9 Ų51.90%027%0.27CS..EExtended strand (participates in β ladder)trans-87.5124.8174.7-53-174.6000109L201 V203 L212 V214 M238 I240 F282 V301 L303L201-L280 HydrophobicContact CD1-CD1 4.4Å; V203-L280 HydrophobicContact CG2-CD1 4.2Å; L212-L280 HydrophobicContact CD2-CD2 4.42Å; V214-L280 HydrophobicContact CG1-CD1 4.04Å; V214-L280 HydrophobicContact CG2-CD1 3.81Å; M238-L280 HydrophobicContact CE-CD1 4.12Å; M238-L280 HydrophobicContact CE-CD2 3.74Å; M238-L280 HydrophobicContact CE-CG 4.35Å; I240-L280 HydrophobicContact CG1-CD2 4Å; L280-F282 HydrophobicContact CB-CD2 4.41Å; L280-F282 HydrophobicContact CB-CE2 3.55Å; L280-F282 HydrophobicContact CB-CZ 3.81Å; L280-F282 HydrophobicContact CD1-CE2 4.32Å; L280-F282 HydrophobicContact CD1-CZ 3.97Å; L280-V301 HydrophobicContact CB-CB 4.4Å; L280-V301 PolarHBondContact N-O 3.29Å; L280-V301 PolarHBondContact O-N 3.1Å; L280-L303 HydrophobicContact CD1-CD1 4.41Å; L280-L303 HydrophobicContact CD1-CD2 3.93Å; L280-L303 HydrophobicContact CD1-CG 4.43Å; L280-L303 HydrophobicContact CD2-CD1 3.99Å; L280-L303 HydrophobicContact CD2-CG 4.48Å; L280-L303 HydrophobicContact CG-CD1 4.06Å; L280-L303 HydrophobicContact CG-CD2 4.04Å; L280-L303 HydrophobicContact CG-CG 4.03Å
281H93.1Very high89.7Confident23 Ų2354.7 Ų54.711%0.10630%0.295CS..EExtended strand (participates in β ladder)trans-110.8121175.7176.9-133.1000109.4M238 T239 L241 E298M238-H281 CarbonylContact C-O 3.23Å; M238-H281 WeakPolarHBondContact CA-O 3.49Å; T239-H281 PolarHBondContact N-O 3.1Å; T239-H281 PolarHBondContact O-N 2.92Å; L241-H281 HydrophobicContact CD1-CB 3.87Å; L241-H281 HydrophobicContact CG-CB 4.09Å; H281-E298 IonicContact CD2-OE2 2.62Å; H281-E298 IonicContact CE1-OE2 3.7Å; H281-E298 IonicContact NE2-OE2 2.71Å; H281-E298 PolarHBondContact NE2-OE2 2.81Å
282F94.9Very high88.6Confident0 Ų062.4 Ų62.40%032%0.315CS..EExtended strand (participates in β ladder)trans-112.8118.4177.8-56.8-85.7000108.7I199 L201 V214 V216 V236 M238 L280 E298 A299 V301I199-F282 HydrophobicContact CD1-CB 3.94Å; I199-F282 HydrophobicContact CD1-CD1 4.14Å; I199-F282 HydrophobicContact CD1-CG 4.05Å; L201-F282 HydrophobicContact CD1-CE2 4.23Å; L201-F282 HydrophobicContact CD1-CZ 3.99Å; L201-F282 HydrophobicContact CD2-CE2 3.9Å; L201-F282 HydrophobicContact CD2-CZ 4.14Å; L201-F282 HydrophobicContact CG-CZ 4.46Å; V214-F282 HydrophobicContact CG1-CZ 4.24Å; V216-F282 HydrophobicContact CG2-CD1 4.29Å; V216-F282 HydrophobicContact CG2-CE1 3.86Å; V236-F282 HydrophobicContact CG1-CB 3.88Å; V236-F282 HydrophobicContact CG1-CD1 3.95Å; V236-F282 HydrophobicContact CG1-CG 4.42Å; M238-F282 HydrophobicContact CB-CD1 3.86Å; M238-F282 HydrophobicContact CB-CE1 3.99Å; M238-F282 HydrophobicContact CE-CE1 4.36Å; M238-F282 HydrophobicContact CE-CZ 4.43Å; M238-F282 HydrophobicContact CG-CD1 3.84Å; M238-F282 HydrophobicContact CG-CE1 3.54Å; M238-F282 HydrophobicContact CG-CZ 4.3Å; M238-F282 HydrophobicContact SD-CE1 3.73Å; M238-F282 HydrophobicContact SD-CZ 4.36Å; L280-F282 HydrophobicContact CB-CD2 4.41Å; L280-F282 HydrophobicContact CB-CE2 3.55Å; L280-F282 HydrophobicContact CB-CZ 3.81Å; L280-F282 HydrophobicContact CD1-CE2 4.32Å; L280-F282 HydrophobicContact CD1-CZ 3.97Å; F282-E298 CarbonylContact O-C 3.52Å; F282-E298 WeakPolarHBondContact O-CA 3.39Å; F282-A299 HydrophobicContact CB-CB 4.33Å; F282-A299 PolarHBondContact N-O 2.95Å; F282-A299 PolarHBondContact O-N 2.86Å; F282-V301 HydrophobicContact CD2-CG2 4.38Å; F282-V301 HydrophobicContact CE2-CB 4.36Å; F282-V301 HydrophobicContact CE2-CG2 4.1Å
283L93.9Very high88Confident21 Ų2161 Ų6111%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-103.6117.2173.8177.366.8000108.2V236 K237 L285 V295 E298 R322V236-L283 CarbonylContact C-O 3.43Å; V236-L283 WeakPolarHBondContact CA-O 3.13Å; K237-L283 HydrophobicContact CB-CB 4.29Å; K237-L283 HydrophobicContact CD-CD2 4.29Å; K237-L283 PolarHBondContact N-O 3.1Å; K237-L283 PolarHBondContact O-N 3.08Å; L283-L285 HydrophobicContact CD2-CD1 4.19Å; L283-L285 HydrophobicContact CG-CD1 3.88Å; L283-L285 HydrophobicContact CG-CG 4.3Å; L283-L285 WeakPolarHBondContact O-CD1 3.14Å; L283-V295 HydrophobicContact CD1-CG1 3.65Å; L283-V295 HydrophobicContact CD1-CG2 4.3Å; L283-E298 HydrophobicContact CD1-CB 4.24Å; L283-R322 VanDerWaalsContact CD1-CD 3.45Å
284V95.4Very high87.5Confident0 Ų059.8 Ų59.80%030%0.298CS..EExtended strand (participates in β ladder)trans-97.1129.1-178.1-169.50000108.8L222 V236 I296 G297 I319L222-V284 HydrophobicContact CD1-CG1 4.3Å; L222-V284 HydrophobicContact CD2-CG1 4.19Å; V236-V284 HydrophobicContact CG2-CG2 4.31Å; V284-I296 HydrophobicContact CB-CB 4.43Å; V284-I296 HydrophobicContact CG1-CB 4.3Å; V284-I296 HydrophobicContact CG1-CD1 4.24Å; V284-I296 HydrophobicContact CG1-CG2 4.49Å; V284-I296 PolarHBondContact O-N 2.98Å; V284-G297 PolarHBondContact N-O 2.93Å; V284-G297 PolarHBondContact O-N 2.88Å; V284-I319 HydrophobicContact CG2-CD1 4.04Å; V284-I319 HydrophobicContact CG2-CG1 4.35Å
285L93.2Very high87.4Confident4 Ų460.9 Ų60.92%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-134.3152.4-179.2-53.899.4000111.9P234 Y235 K237 L283 D293 D294 V295P234-L285 CarbonylContact C-O 3.58Å; P234-L285 VanDerWaalsContact CA-O 3.26Å; P234-L285 WeakPolarHBondContact CA-O 3.42Å; Y235-L285 HydrophobicContact CD1-CB 4.28Å; Y235-L285 HydrophobicContact CE1-CB 4Å; Y235-L285 HydrophobicContact CE2-CD1 4.4Å; Y235-L285 PolarHBondContact N-O 2.84Å; Y235-L285 PolarHBondContact O-N 3.21Å; K237-L285 HydrophobicContact CB-CD1 4.43Å; K237-L285 HydrophobicContact CD-CD1 3.56Å; K237-L285 HydrophobicContact CG-CD1 3.73Å; L283-L285 HydrophobicContact CD2-CD1 4.19Å; L283-L285 HydrophobicContact CG-CD1 3.88Å; L283-L285 HydrophobicContact CG-CG 4.3Å; L283-L285 WeakPolarHBondContact O-CD1 3.14Å; L285-D293 HydrophobicContact CB-CB 4.28Å; L285-D293 HydrophobicContact CD2-CB 3.76Å; L285-D294 CarbonylContact C-O 3.6Å; L285-D294 WeakPolarHBondContact CA-O 3.32Å; L285-D294 VanDerWaalsContact CB-O 3.23Å; L285-D294 WeakPolarHBondContact CB-O 3.45Å; L285-V295 HydrophobicContact CD2-CG2 3.8Å; L285-V295 HydrophobicContact CG-CG2 4.32Å
286S91.8Very high87.4Confident11 Ų1161.2 Ų61.28%0.07730%0.303CS..EExtended strand (participates in β ladder)trans-88.4136.4159.8-1650000109.3D233 D293 D294D233-S286 PolarHBondContact N-OG 3.07Å; S286-D293 CarbonylContact O-C 3.6Å; S286-D293 VanDerWaalsContact O-CA 3.27Å; S286-D293 WeakPolarHBondContact O-CA 3.44Å; S286-D293 WeakPolarHBondContact O-CB 3.38Å; S286-D294 PolarHBondContact N-O 2.96Å; S286-D294 PolarHBondContact O-N 3.1Å; S286-D294 VanDerWaalsContact O-N 3.12Å
287F90.5Very high87.3Confident76 Ų7658.1 Ų58.133%0.33328%0.283SS..  trans-85.6128.2176.9168.9-100.4000111.6D233 Y235 V252 D293D233-F287 HydrophobicContact CB-CB 4.17Å; D233-F287 PolarHBondContact O-N 2.92Å; Y235-F287 HydrophobicContact CD1-CB 4.1Å; Y235-F287 HydrophobicContact CE1-CB 4.13Å; V252-F287 HydrophobicContact CG1-CB 3.72Å; V252-F287 HydrophobicContact CG1-CD1 4.16Å; V252-F287 HydrophobicContact CG1-CG 4.11Å; V252-F287 HydrophobicContact CG2-CB 3.95Å; V252-F287 HydrophobicContact CG2-CD2 4.38Å; V252-F287 HydrophobicContact CG2-CG 4.07Å; F287-D293 WeakPolarHBondContact CD2-OD1 3.37Å
288D83.8Confident87.5Confident59 Ų5952.9 Ų52.932%0.31625%0.254SS..  trans-111.7143.5171.2-163.6-57.8000111F290 A291D288-F290 WeakPolarHBondContact OD1-CA 3.4Å; D288-F290 PolarHBondContact OD1-N 3.12Å; D288-A291 HydrophobicContact CB-CB 4.05Å; D288-A291 PolarHBondContact OD1-N 2.72Å
289R82.6Confident87.6Confident187 Ų18751.8 Ų51.871%0.70625%0.248SC*.SBendtrans-85.6-23.7-179.6-177.8176-178.6-167.92.2113.9
290F75.9Confident87.7Confident177 Ų17753.3 Ų53.378%0.77626%0.258SS*.SBendtrans-126.6-24.2-168.6-55.2-64.7000113.1D288D288-F290 WeakPolarHBondContact OD1-CA 3.4Å; D288-F290 PolarHBondContact OD1-N 3.12Å
291A72.8Confident87.7Confident71 Ų7153.8 Ų53.859%0.58726%0.261SS*.SBendtrans-102.5-150.4175.600000112.2D288D288-A291 HydrophobicContact CB-CB 4.05Å; D288-A291 PolarHBondContact OD1-N 2.72Å
292R68.9Low87.7Confident206 Ų20656 Ų5678%0.77728%0.277SS*.PPolyproline II helixtrans-101.4151.3166-69.6179.8173.8178.4-1.3108.2D294R292-D294 PolarHBondContact O-N 2.86Å
293D80.3Confident87.7Confident49 Ų4956.2 Ų56.226%0.26228%0.278SS..PPolyproline II helixtrans-57.2126.6170.2-52.9-34.4000111.2Y235 K237 L285 S286 F287Y235-D293 HydrophobicContact CE1-CB 4.42Å; Y235-D293 PolarHBondContact OH-OD2 2.89Å; K237-D293 IonicContact NZ-OD2 2.96Å; K237-D293 PolarHBondContact NZ-OD2 3.3Å; L285-D293 HydrophobicContact CB-CB 4.28Å; L285-D293 HydrophobicContact CD2-CB 3.76Å; S286-D293 CarbonylContact O-C 3.6Å; S286-D293 VanDerWaalsContact O-CA 3.27Å; S286-D293 WeakPolarHBondContact O-CA 3.44Å; S286-D293 WeakPolarHBondContact O-CB 3.38Å; F287-D293 WeakPolarHBondContact CD2-OD1 3.37Å
294D81.8Confident87.5Confident77 Ų7763.1 Ų63.141%0.41231%0.307SS..EExtended strand (participates in β ladder)trans-80.2135.1175.9-72.4-60.4000111.5V225 L285 S286 R292 I296V225-D294 HydrophobicContact CG1-CB 3.79Å; V225-D294 WeakPolarHBondContact CG1-OD2 3.18Å; L285-D294 CarbonylContact C-O 3.6Å; L285-D294 WeakPolarHBondContact CA-O 3.32Å; L285-D294 VanDerWaalsContact CB-O 3.23Å; L285-D294 WeakPolarHBondContact CB-O 3.45Å; S286-D294 PolarHBondContact N-O 2.96Å; S286-D294 PolarHBondContact O-N 3.1Å; S286-D294 VanDerWaalsContact O-N 3.12Å; R292-D294 PolarHBondContact O-N 2.86Å; D294-I296 PolarHBondContact O-N 3.12Å
295V87.6Confident87.1Confident61 Ų6167 Ų6737%0.3735%0.346SS..EExtended strand (participates in β ladder)trans-82.1111175.1174.50000109.2L283 L285 R322L283-V295 HydrophobicContact CD1-CG1 3.65Å; L283-V295 HydrophobicContact CD1-CG2 4.3Å; L285-V295 HydrophobicContact CD2-CG2 3.8Å; L285-V295 HydrophobicContact CG-CG2 4.32Å; V295-R322 HydrophobicContact CG1-CB 3.83Å; V295-R322 HydrophobicContact CG1-CG 4.42Å
296I90.4Very high87Confident13 Ų1368 Ų687%0.06735%0.353CS..EExtended strand (participates in β ladder)trans-70.4-47.5173-65.8170.8000109.2L196 L222 P223 V225 V284 D294L196-I296 WeakPolarHBondContact CD1-O 3.48Å; L222-I296 HydrophobicContact CD1-CD1 4.32Å; L222-I296 HydrophobicContact CD2-CG2 4.23Å; P223-I296 HydrophobicContact CG-CG2 3.69Å; V225-I296 HydrophobicContact CG2-CD1 4.45Å; V225-I296 HydrophobicContact CG2-CG1 3.93Å; V284-I296 HydrophobicContact CB-CB 4.43Å; V284-I296 HydrophobicContact CG1-CB 4.3Å; V284-I296 HydrophobicContact CG1-CD1 4.24Å; V284-I296 HydrophobicContact CG1-CG2 4.49Å; V284-I296 PolarHBondContact O-N 2.98Å; D294-I296 PolarHBondContact O-N 3.12Å
297G90.7Very high86.8Confident0 Ų071 Ų710%037%0.368CS..EExtended strand (participates in β ladder)trans173.6-172.1178.600000112.6V284 T320V284-G297 PolarHBondContact N-O 2.93Å; V284-G297 PolarHBondContact O-N 2.88Å; G297-T320 CarbonylContact C-O 3.5Å; G297-T320 VanDerWaalsContact CA-O 3.29Å; G297-T320 WeakPolarHBondContact CA-O 3.1Å
298E92.7Very high86.8Confident19 Ų1967.5 Ų67.59%0.08935%0.353CS..EExtended strand (participates in β ladder)trans-134156.7175.571.1-165161.300112.5H281 F282 L283 T320 R322 N323H281-E298 IonicContact CD2-OE2 2.62Å; H281-E298 IonicContact CE1-OE2 3.7Å; H281-E298 IonicContact NE2-OE2 2.71Å; H281-E298 PolarHBondContact NE2-OE2 2.81Å; F282-E298 CarbonylContact O-C 3.52Å; F282-E298 WeakPolarHBondContact O-CA 3.39Å; L283-E298 HydrophobicContact CD1-CB 4.24Å; E298-T320 PolarHBondContact N-O 3.08Å; E298-T320 PolarHBondContact O-N 3.5Å; E298-T320 PolarHBondContact O-OG1 2.75Å; E298-R322 HydrophobicContact CB-CB 4.42Å; E298-R322 HydrophobicContact CG-CB 4.1Å; E298-R322 HydrophobicContact CG-CG 4.4Å; E298-R322 WeakPolarHBondContact OE1-CA 3.47Å; E298-R322 WeakPolarHBondContact OE1-CG 3.4Å; E298-R322 IonicContact OE2-CZ 3.66Å; E298-R322 IonicContact OE2-NE 2.65Å; E298-R322 PolarHBondContact OE2-NE 2.68Å; E298-R322 IonicContact OE2-NH2 3.8Å; E298-N323 PolarHBondContact OE1-N 2.87Å
299A94Very high86.9Confident1 Ų167 Ų671%0.00835%0.354CS..EExtended strand (participates in β ladder)trans-132.1134.4175.500000108.8I199 F282 Q317I199-A299 HydrophobicContact CG2-CB 3.49Å; I199-A299 VanDerWaalsContact CG2-CB 3.49Å; F282-A299 HydrophobicContact CB-CB 4.33Å; F282-A299 PolarHBondContact N-O 2.95Å; F282-A299 PolarHBondContact O-N 2.86Å; A299-Q317 HydrophobicContact CB-CB 4.38Å; A299-Q317 HydrophobicContact CB-CG 3.77Å
300V92.9Very high86.8Confident65 Ų6564.2 Ų64.239%0.39436%0.358SS..EExtended strand (participates in β ladder)trans-120.8119.4-176.5-178.50000107.9T279T279-V300 HydrophobicContact CG2-CG1 3.4Å
301V94.5Very high87.1Confident10 Ų1057.2 Ų57.26%0.06134%0.336CS..EExtended strand (participates in β ladder)trans-124.196.7-176-178.30000108.9L201 L280 F282 L315 Q317L201-V301 HydrophobicContact CD2-CG2 4.24Å; L280-V301 HydrophobicContact CB-CB 4.4Å; L280-V301 PolarHBondContact N-O 3.29Å; L280-V301 PolarHBondContact O-N 3.1Å; F282-V301 HydrophobicContact CD2-CG2 4.38Å; F282-V301 HydrophobicContact CE2-CB 4.36Å; F282-V301 HydrophobicContact CE2-CG2 4.1Å; V301-L315 HydrophobicContact CG1-CD1 3.85Å; V301-Q317 HydrophobicContact CG2-CB 3.77Å; V301-Q317 HydrophobicContact CG2-CG 3.79Å
302P93.9Very high87.9Confident70 Ų7058 Ų5846%0.45532%0.324SS..EExtended strand (participates in β ladder)trans-60.3138.2169.8-21.233.8000110.4K304P302-K304 VanDerWaalsContact C-N 3.29Å
303L93.2Very high89.2Confident3 Ų350.3 Ų50.32%0.01630%0.299CS..  trans-880.5174.5-65.9-178000112.7V203 L212 L275 L278 L280 G305 V306V203-L303 HydrophobicContact CG1-CD2 4.23Å; V203-L303 HydrophobicContact CG2-CD2 4.07Å; L212-L303 HydrophobicContact CD1-CD1 4.41Å; L212-L303 HydrophobicContact CD2-CD1 3.85Å; L275-L303 HydrophobicContact CD2-CD1 4.23Å; L275-L303 VanDerWaalsContact O-CB 3.24Å; L275-L303 WeakPolarHBondContact O-CB 3.43Å; L278-L303 HydrophobicContact CB-CD1 4.29Å; L278-L303 PolarHBondContact O-N 3.09Å; L280-L303 HydrophobicContact CD1-CD1 4.41Å; L280-L303 HydrophobicContact CD1-CD2 3.93Å; L280-L303 HydrophobicContact CD1-CG 4.43Å; L280-L303 HydrophobicContact CD2-CD1 3.99Å; L280-L303 HydrophobicContact CD2-CG 4.48Å; L280-L303 HydrophobicContact CG-CD1 4.06Å; L280-L303 HydrophobicContact CG-CD2 4.04Å; L280-L303 HydrophobicContact CG-CG 4.03Å; L303-G305 PolarHBondContact O-N 2.95Å; L303-V306 HydrophobicContact CD2-CB 4.36Å; L303-V306 HydrophobicContact CD2-CG1 4.48Å; L303-V306 HydrophobicContact CD2-CG2 4.24Å; L303-V306 WeakPolarHBondContact O-CB 3.2Å; L303-V306 PolarHBondContact O-N 3.46Å
304K91.3Very high89.9Confident167 Ų16754 Ų5473%0.72631%0.314SS*.THydrogen-bonded Turntrans-60.2114171.8-170.4171.3179.8173.20111.2P276 P302 V306P276-K304 WeakPolarHBondContact O-CB 3.14Å; P302-K304 VanDerWaalsContact C-N 3.29Å; K304-V306 VanDerWaalsContact C-N 3.33Å
305G86.3Confident90.5Very high80 Ų8052.6 Ų52.683%0.82531%0.307SS*.THydrogen-bonded Turntrans85.31.3-178.100000114.6L303L303-G305 PolarHBondContact O-N 2.95Å
306V90.3Very high90.9Very high27 Ų2753.5 Ų53.516%0.16432%0.316CS..  trans-83.7121.2166.1-177.10000107.7V203 L303 K304 P308 V313 L315V203-V306 HydrophobicContact CB-CG1 4.37Å; L303-V306 HydrophobicContact CD2-CB 4.36Å; L303-V306 HydrophobicContact CD2-CG1 4.48Å; L303-V306 HydrophobicContact CD2-CG2 4.24Å; L303-V306 WeakPolarHBondContact O-CB 3.2Å; L303-V306 PolarHBondContact O-N 3.46Å; K304-V306 VanDerWaalsContact C-N 3.33Å; V306-P308 WeakPolarHBondContact O-CD 3.36Å; V306-V313 HydrophobicContact CG1-CB 4.22Å; V306-V313 HydrophobicContact CG1-CG1 4.18Å; V306-V313 HydrophobicContact CG1-CG2 4.31Å; V306-L315 HydrophobicContact CG1-CD1 4.34Å; V306-L315 HydrophobicContact CG2-CD1 4.03Å
307D89.4Confident91.1Very high74 Ų7456 Ų5640%0.39633%0.327SS..  trans-106.892.2175.5179.17.8000111Y272 S309 V313Y272-D307 PolarHBondContact OH-OD1 2.86Å; D307-S309 PolarHBondContact O-N 2.94Å; D307-S309 WeakPolarHBondContact OD1-CB 3.35Å; D307-S309 PolarHBondContact OD1-N 2.78Å; D307-S309 PolarHBondContact OD1-OG 2.86Å; D307-S309 PolarHBondContact OD2-OG 2.73Å; D307-V313 WeakPolarHBondContact O-CG2 3.22Å
308P89.2Confident91.3Very high2 Ų261.2 Ų61.21%0.01335%0.352CS..  trans-85.217.6175.137.1-36.9000113.1V203 Y205 Y272 L275 V306V203-P308 HydrophobicContact CG1-CB 4.2Å; V203-P308 HydrophobicContact CG1-CG 4.47Å; Y205-P308 PolarHBondContact N-O 3.38Å; Y272-P308 HydrophobicContact CE2-CG 4.22Å; L275-P308 HydrophobicContact CD1-CG 3.82Å; V306-P308 WeakPolarHBondContact O-CD 3.36Å
309S85.4Confident91.4Very high49 Ų4960.7 Ų60.734%0.34335%0.349SS..SBendtrans-78.3-33-177.670.40000114.1D307D307-S309 PolarHBondContact O-N 2.94Å; D307-S309 WeakPolarHBondContact OD1-CB 3.35Å; D307-S309 PolarHBondContact OD1-N 2.78Å; D307-S309 PolarHBondContact OD1-OG 2.86Å; D307-S309 PolarHBondContact OD2-OG 2.73Å
310T80.3Confident91.3Very high128 Ų12864.3 Ų64.379%0.78537%0.371SS*.SBendtrans-90.8-11.8-177.652.80000113.2
311G83.6Confident90.9Very high29 Ų2968 Ų6830%0.29938%0.382SS..SBendtrans154.4-162.3174.600000113.4V313G311-V313 PolarHBondContact O-N 2.94Å
312R90Very high90Very high89 Ų8970 Ų7034%0.33639%0.388SS..  trans-73.3104.1-178.3177.8179.9-75.5-123.5-10.1111.5S202 V203 D204 T215 H314S202-R312 VanDerWaalsContact CB-CG 3.49Å; S202-R312 WeakPolarHBondContact OG-CD 3.3Å; S202-R312 WeakPolarHBondContact OG-CG 3.09Å; S202-R312 PolarHBondContact OG-NH1 2.68Å; S202-R312 VanDerWaalsContact OG-NH1 3.09Å; V203-R312 CarbonylContact O-C 3.58Å; V203-R312 WeakPolarHBondContact O-CA 3.39Å; D204-R312 HydrophobicContact CB-CB 4.46Å; T215-R312 PolarHBondContact OG1-NH1 2.81Å; T215-R312 VanDerWaalsContact OG1-NH1 3.08Å; T215-R312 PolarHBondContact OG1-NH2 2.91Å; T215-R312 VanDerWaalsContact OG1-NH2 3.1Å; R312-H314 WeakPolarHBondContact CD-NE2 3.44Å
313V94.9Very high88.3Confident43 Ų4370.2 Ų70.226%0.26139%0.386SS..EExtended strand (participates in β ladder)trans-78.9122.6171.7-175.60000109.5S202 V203 V306 D307 G311 L315S202-V313 CarbonylContact C-O 3.29Å; S202-V313 WeakPolarHBondContact CA-O 3.4Å; S202-V313 WeakPolarHBondContact CB-O 3.28Å; V203-V313 PolarHBondContact N-O 2.78Å; V203-V313 PolarHBondContact O-N 3.18Å; V306-V313 HydrophobicContact CG1-CB 4.22Å; V306-V313 HydrophobicContact CG1-CG1 4.18Å; V306-V313 HydrophobicContact CG1-CG2 4.31Å; D307-V313 WeakPolarHBondContact O-CG2 3.22Å; G311-V313 PolarHBondContact O-N 2.94Å; V313-L315 HydrophobicContact CG1-CD2 3.97Å; V313-L315 HydrophobicContact CG1-CG 4.21Å
314H95.3Very high86.3Confident127 Ų12776.5 Ų76.559%0.58842%0.417SS*.EExtended strand (participates in β ladder)trans-89.8134.1173.4-76.2-97000110.9R312R312-H314 WeakPolarHBondContact CD-NE2 3.44Å
315L94.8Very high84.2Confident48 Ų4875.8 Ų75.825%0.25142%0.416SS..EExtended strand (participates in β ladder)trans-132142.2-179.1-59.3172.4000109.7L201 V203 V301 V306 V313L201-L315 HydrophobicContact CD1-CB 4.26Å; L201-L315 HydrophobicContact CD1-CD1 4.27Å; L201-L315 HydrophobicContact CG-CB 4.1Å; L201-L315 PolarHBondContact N-O 2.86Å; L201-L315 PolarHBondContact O-N 2.81Å; L201-L315 VanDerWaalsContact O-O 3.06Å; V203-L315 HydrophobicContact CG2-CD1 3.99Å; V301-L315 HydrophobicContact CG1-CD1 3.85Å; V306-L315 HydrophobicContact CG1-CD1 4.34Å; V306-L315 HydrophobicContact CG2-CD1 4.03Å; V313-L315 HydrophobicContact CG1-CD2 3.97Å; V313-L315 HydrophobicContact CG1-CG 4.21Å
316S95.3Very high82.1Confident80 Ų8076.8 Ų76.856%0.55941%0.41SS*.EExtended strand (participates in β ladder)trans-125.6133.7170.7-178.80000108.7I199I199-S316 WeakPolarHBondContact O-CA 3.46Å
317Q95.1Very high80.3Confident65 Ų6579.7 Ų79.730%0.30442%0.421SS..EExtended strand (participates in β ladder)trans-131.3132.8-175.5179.25555.200109.7S198 I199 A299 V301S198-Q317 CarbonylContact C-O 3.48Å; S198-Q317 WeakPolarHBondContact CA-O 3.49Å; I199-Q317 HydrophobicContact CG2-CB 4.22Å; I199-Q317 PolarHBondContact N-O 2.84Å; I199-Q317 PolarHBondContact O-N 2.87Å; A299-Q317 HydrophobicContact CB-CB 4.38Å; A299-Q317 HydrophobicContact CB-CG 3.77Å; V301-Q317 HydrophobicContact CG2-CB 3.77Å; V301-Q317 HydrophobicContact CG2-CG 3.79Å
318Q95.4Very high79Confident110 Ų11079.2 Ų79.251%0.51442%0.424SS..EExtended strand (participates in β ladder)trans-66.3137.3172.6-64.6-63.4-5.700110.2G197G197-Q318 PolarHBondContact O-OE1 2.86Å
319I94.9Very high78.6Confident8 Ų881.9 Ų81.94%0.04143%0.434CS..PPolyproline II helixtrans-81.2122.3175.2-62.1165.8000107.2L196 G197 I199 A219 L222 V284L196-I319 HydrophobicContact CB-CB 4.16Å; L196-I319 HydrophobicContact CB-CG2 3.9Å; L196-I319 HydrophobicContact CD1-CG2 4.48Å; G197-I319 WeakPolarHBondContact O-CB 3.28Å; G197-I319 PolarHBondContact O-N 3.16Å; I199-I319 HydrophobicContact CB-CD1 4.39Å; I199-I319 HydrophobicContact CB-CG1 4.31Å; I199-I319 HydrophobicContact CG2-CG1 4.27Å; A219-I319 HydrophobicContact CB-CD1 4.44Å; L222-I319 HydrophobicContact CD2-CD1 3.4Å; L222-I319 VanDerWaalsContact CD2-CD1 3.4Å; V284-I319 HydrophobicContact CG2-CD1 4.04Å; V284-I319 HydrophobicContact CG2-CG1 4.35Å
320T90.8Very high78.7Confident76 Ų7679.6 Ų79.647%0.46642%0.417SS..BIsolated β-bridgetrans-101.5155.3177.161.30000110.5G297 E298 R322G297-T320 CarbonylContact C-O 3.5Å; G297-T320 VanDerWaalsContact CA-O 3.29Å; G297-T320 WeakPolarHBondContact CA-O 3.1Å; E298-T320 PolarHBondContact N-O 3.08Å; E298-T320 PolarHBondContact O-N 3.5Å; E298-T320 PolarHBondContact O-OG1 2.75Å; T320-R322 PolarHBondContact O-N 2.93Å; T320-R322 VanDerWaalsContact O-N 3.17Å
321K85.1Confident79.3Confident144 Ų14475 Ų7563%0.62639%0.387SS*.PPolyproline II helixtrans-64.4118.2176.4-169.7174.1-173.6171.10108.4L196 N323L196-K321 VanDerWaalsContact CD1-CA 3.47Å; L196-K321 HydrophobicContact CD1-CB 3.9Å; L196-K321 VanDerWaalsContact CD1-N 3.34Å; K321-N323 PolarHBondContact O-N 2.88Å
322R75.5Confident80Confident50 Ų5073.6 Ų73.619%0.18937%0.373CS..  trans-55.9115.5-176171.6161.8-140.5-128.5-5.2110.6L283 V295 E298 T320 M324 E327L283-R322 VanDerWaalsContact CD1-CD 3.45Å; V295-R322 HydrophobicContact CG1-CB 3.83Å; V295-R322 HydrophobicContact CG1-CG 4.42Å; E298-R322 HydrophobicContact CB-CB 4.42Å; E298-R322 HydrophobicContact CG-CB 4.1Å; E298-R322 HydrophobicContact CG-CG 4.4Å; E298-R322 WeakPolarHBondContact OE1-CA 3.47Å; E298-R322 WeakPolarHBondContact OE1-CG 3.4Å; E298-R322 IonicContact OE2-CZ 3.66Å; E298-R322 IonicContact OE2-NE 2.65Å; E298-R322 PolarHBondContact OE2-NE 2.68Å; E298-R322 IonicContact OE2-NH2 3.8Å; T320-R322 PolarHBondContact O-N 2.93Å; T320-R322 VanDerWaalsContact O-N 3.17Å; R322-M324 PolarHBondContact O-N 2.95Å; R322-M324 VanDerWaalsContact O-N 3.08Å; R322-E327 IonicContact CZ-OE2 3.47Å; R322-E327 IonicContact NH1-OE2 3.08Å; R322-E327 IonicContact NH2-OE2 2.65Å; R322-E327 PolarHBondContact NH2-OE2 3.22Å
323N58.4Low80.4Confident76 Ų7670.5 Ų70.541%0.40636%0.363SS..  trans-80.399.5177.2-171.5-3.7000109.2E298 K321 Q325 C326E298-N323 PolarHBondContact OE1-N 2.87Å; K321-N323 PolarHBondContact O-N 2.88Å; N323-Q325 PolarHBondContact ND2-OE1 3Å; N323-Q325 PolarHBondContact O-N 2.87Å; N323-Q325 WeakPolarHBondContact OD1-CB 3.42Å; N323-Q325 WeakPolarHBondContact OD1-CG 3.37Å; N323-Q325 PolarHBondContact OD1-N 3.44Å; N323-Q325 PolarHBondContact OD1-OE1 2.99Å; N323-C326 WeakPolarHBondContact O-CB 3.19Å; N323-C326 PolarHBondContact O-N 3.46Å
324M51.5Low80.5Confident135 Ų13568.4 Ų68.467%0.66535%0.35SS*.THydrogen-bonded Turntrans-56.1-9.5176-75.7-178.7151.700114.5R322 C326R322-M324 PolarHBondContact O-N 2.95Å; R322-M324 VanDerWaalsContact O-N 3.08Å; M324-C326 VanDerWaalsContact C-N 3.27Å; M324-C326 PolarHBondContact O-N 2.52Å
325Q46.7Very low80.7Confident151 Ų15162.4 Ų62.471%0.70632%0.323SS*.THydrogen-bonded Turntrans-73.8-13.2171.2-58162.13.500113.3N323N323-Q325 PolarHBondContact ND2-OE1 3Å; N323-Q325 PolarHBondContact O-N 2.87Å; N323-Q325 WeakPolarHBondContact OD1-CB 3.42Å; N323-Q325 WeakPolarHBondContact OD1-CG 3.37Å; N323-Q325 PolarHBondContact OD1-N 3.44Å; N323-Q325 PolarHBondContact OD1-OE1 2.99Å
326C41.9Very low80.8Confident102 Ų10260.2 Ų60.269%0.68931%0.311SS*.SBendtrans-10813.1-163.8-146.60000116.7N323 M324N323-C326 WeakPolarHBondContact O-CB 3.19Å; N323-C326 PolarHBondContact O-N 3.46Å; M324-C326 VanDerWaalsContact C-N 3.27Å; M324-C326 PolarHBondContact O-N 2.52Å
327E51.8Low80.9Confident87 Ų8756.8 Ų56.841%0.40729%0.287SS..SBendtrans-108.490.1151-72-162.5101.300107.9K244 R322 R329K244-E327 IonicContact NZ-OE1 2.68Å; K244-E327 PolarHBondContact NZ-OE1 3.08Å; R322-E327 IonicContact CZ-OE2 3.47Å; R322-E327 IonicContact NH1-OE2 3.08Å; R322-E327 IonicContact NH2-OE2 2.65Å; R322-E327 PolarHBondContact NH2-OE2 3.22Å; E327-R329 VanDerWaalsContact O-CG 3.28Å; E327-R329 WeakPolarHBondContact O-CG 3.45Å; E327-R329 PolarHBondContact O-N 3.2Å
328S63.3Low81Confident65 Ų6553.9 Ų53.946%0.45527%0.273SS..  trans-58.8108.6-179.7-177.80000109.9G330 N464S328-G330 PolarHBondContact O-N 3.09Å; S328-N464 PolarHBondContact OG-OD1 3.38Å
329R80Confident81.1Confident58 Ų5852.4 Ų52.422%0.21927%0.266CS..  trans-82.228.7178.4-54.1-168.760.7137.42.5111.7E327 P356 V429 L430 L465 D467E327-R329 VanDerWaalsContact O-CG 3.28Å; E327-R329 WeakPolarHBondContact O-CG 3.45Å; E327-R329 PolarHBondContact O-N 3.2Å; R329-P356 WeakPolarHBondContact O-CD 3.17Å; R329-V429 PolarHBondContact NH2-O 3.25Å; R329-L430 WeakPolarHBondContact CB-O 3.43Å; R329-L430 PolarHBondContact NE-O 2.91Å; R329-L430 PolarHBondContact NH2-O 2.79Å; R329-L430 VanDerWaalsContact NH2-O 3.08Å; R329-L465 HydrophobicContact CB-CB 4.04Å; R329-L465 WeakPolarHBondContact O-CD1 3.46Å; R329-D467 VanDerWaalsContact CD-OD1 3.23Å; R329-D467 WeakPolarHBondContact CD-OD1 3.38Å; R329-D467 IonicContact CZ-OD1 3.07Å; R329-D467 IonicContact NE-OD1 2.86Å; R329-D467 IonicContact NH1-OD1 3.22Å; R329-D467 PolarHBondContact NH1-OD1 3.18Å
330G88.4Confident81.1Confident0 Ų054 Ų540%028%0.277CS..  trans80.6177.4-164.900000113.7S328 R353 H354 L465S328-G330 PolarHBondContact O-N 3.09Å; G330-R353 CarbonylContact C-O 3.57Å; G330-R353 WeakPolarHBondContact CA-O 3.43Å; G330-H354 WeakPolarHBondContact CA-O 3.38Å; G330-H354 PolarHBondContact N-O 2.87Å; G330-L465 WeakPolarHBondContact O-CB 3.38Å; G330-L465 PolarHBondContact O-N 3.17Å
331E93.7Very high81.2Confident32 Ų3256.7 Ų56.715%0.1529%0.293CS..EExtended strand (participates in β ladder)trans-120.2144.8175.9-66.1165.498.100110.5A352 R353 H354 W462 H463 N464E331-A352 CarbonylContact O-C 3.6Å; E331-A352 WeakPolarHBondContact O-CA 2.86Å; E331-A352 WeakPolarHBondContact O-CB 3.47Å; E331-R353 HydrophobicContact CB-CG 4.23Å; E331-R353 VanDerWaalsContact CD-NH2 3.29Å; E331-R353 PolarHBondContact N-O 2.78Å; E331-R353 PolarHBondContact O-N 2.94Å; E331-R353 IonicContact OE1-CZ 3.91Å; E331-R353 IonicContact OE1-NE 3.98Å; E331-R353 IonicContact OE1-NH2 2.77Å; E331-R353 PolarHBondContact OE1-NH2 3.37Å; E331-R353 IonicContact OE2-CZ 3.16Å; E331-R353 IonicContact OE2-NE 2.68Å; E331-R353 PolarHBondContact OE2-NE 2.88Å; E331-R353 IonicContact OE2-NH2 3.78Å; E331-R353 PolarHBondContact OE2-NH2 2.83Å; E331-H354 IonicContact OE2-ND1 3.62Å; E331-W462 HydrophobicContact CB-CE3 3.79Å; E331-W462 HydrophobicContact CB-CZ3 4.18Å; E331-H463 CarbonylContact C-O 3.52Å; E331-H463 WeakPolarHBondContact CA-O 3.36Å; E331-N464 WeakPolarHBondContact CG-OD1 3.23Å
332L97Very high81.7Confident0 Ų052.4 Ų52.40%028%0.281CS..EExtended strand (participates in β ladder)trans-114.2127.2174.9-175.765.7000110.4V349 A352 V369 F416 V418 L433 H463 L465L332-V349 HydrophobicContact CD1-CG1 4.17Å; L332-A352 HydrophobicContact CD1-CB 3.95Å; L332-V369 HydrophobicContact CD1-CG2 4.32Å; L332-V369 HydrophobicContact CD2-CG1 4.43Å; L332-F416 HydrophobicContact CD2-CB 3.66Å; L332-F416 HydrophobicContact CD2-CD1 4.05Å; L332-F416 HydrophobicContact CD2-CG 3.93Å; L332-V418 HydrophobicContact CD2-CG2 4.25Å; L332-L433 HydrophobicContact CD2-CD2 4.2Å; L332-H463 PolarHBondContact N-O 3.35Å; L332-H463 PolarHBondContact O-N 3.29Å; L332-L465 HydrophobicContact CB-CD1 4.48Å; L332-L465 HydrophobicContact CB-CD2 4.01Å; L332-L465 HydrophobicContact CB-CG 4.34Å; L332-L465 HydrophobicContact CD2-CD2 4.49Å
333L98.1Very high82.7Confident23 Ų2354 Ų5412%0.1229%0.291CS..EExtended strand (participates in β ladder)trans-88.7105.4167.1-177.158.4000108.4L350 K351 W462L333-L350 HydrophobicContact CB-CB 4.35Å; L333-L350 HydrophobicContact CD2-CB 4.09Å; L333-L350 HydrophobicContact CD2-CD1 4.03Å; L333-L350 HydrophobicContact CG-CB 4.01Å; L333-L350 HydrophobicContact CG-CD1 3.88Å; L333-L350 WeakPolarHBondContact O-CB 3.23Å; L333-L350 PolarHBondContact O-N 3.04Å; L333-L350 VanDerWaalsContact O-N 3.12Å; L333-K351 HydrophobicContact CB-CG 4.12Å; L333-K351 WeakPolarHBondContact CB-O 3.48Å; L333-K351 HydrophobicContact CD2-CG 4.06Å; L333-K351 PolarHBondContact N-O 3.21Å; L333-W462 HydrophobicContact CB-CD2 3.83Å; L333-W462 HydrophobicContact CB-CE3 3.68Å; L333-W462 HydrophobicContact CB-CH2 4.02Å; L333-W462 HydrophobicContact CB-CZ2 4.15Å; L333-W462 HydrophobicContact CB-CZ3 3.77Å; L333-W462 HydrophobicContact CD1-CD2 4.21Å; L333-W462 HydrophobicContact CD1-CG 4.14Å; L333-W462 HydrophobicContact CD2-CZ2 4.2Å; L333-W462 HydrophobicContact CG-CD2 4.46Å
334A97.9Very high84.5Confident0 Ų055.4 Ų55.40%029%0.29CS..EExtended strand (participates in β ladder)trans-108.5149.1174.100000109.7F416 L433 S460 K461A334-F416 HydrophobicContact CB-CE1 4.17Å; A334-F416 HydrophobicContact CB-CE2 4.42Å; A334-F416 HydrophobicContact CB-CZ 3.97Å; A334-L433 HydrophobicContact CB-CD2 4.45Å; A334-S460 WeakPolarHBondContact O-CA 3.36Å; A334-K461 PolarHBondContact N-O 2.69Å; A334-K461 PolarHBondContact O-N 3.44Å
335S98.3Very high86.7Confident1 Ų149 Ų491%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-133.2131.7175.7174.80000111.5V348 Q458 I459 S460S335-V348 PolarHBondContact N-O 3.37Å; S335-V348 PolarHBondContact O-N 3.49Å; S335-Q458 WeakPolarHBondContact OG-CG 3.43Å; S335-Q458 PolarHBondContact OG-NE2 3.17Å; S335-I459 CarbonylContact C-O 3.48Å; S335-I459 WeakPolarHBondContact CA-O 3.23Å; S335-I459 VanDerWaalsContact CB-O 3.25Å; S335-I459 WeakPolarHBondContact CB-O 3.15Å; S335-I459 PolarHBondContact OG-O 2.97Å; S335-S460 VanDerWaalsContact CB-OG 3.27Å; S335-S460 WeakPolarHBondContact CB-OG 3.43Å; S335-S460 PolarHBondContact OG-OG 3.14Å; S335-S460 VanDerWaalsContact OG-OG 3.09Å
336L98.1Very high89.1Confident1 Ų143.3 Ų43.31%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-124.2150.9-176.6-88.267.2000110.7S346 V347 F416 L435 W448 V451 I459L336-S346 WeakPolarHBondContact CA-O 3.43Å; L336-V347 HydrophobicContact CD1-CG1 4.15Å; L336-V347 HydrophobicContact CG-CG2 4.4Å; L336-F416 HydrophobicContact CD1-CZ 4.1Å; L336-L435 HydrophobicContact CD1-CD1 3.59Å; L336-L435 HydrophobicContact CD2-CD1 3.85Å; L336-L435 HydrophobicContact CG-CD1 4.41Å; L336-W448 HydrophobicContact CD2-CE3 3.65Å; L336-W448 HydrophobicContact CD2-CZ3 3.58Å; L336-V451 HydrophobicContact CB-CB 4.5Å; L336-V451 HydrophobicContact CB-CG1 4.12Å; L336-V451 HydrophobicContact CB-CG2 3.58Å; L336-V451 HydrophobicContact CD2-CG2 4.39Å; L336-I459 PolarHBondContact N-O 3.06Å; L336-I459 PolarHBondContact O-N 2.9Å
337S97.6Very high91.8Very high8 Ų838.5 Ų38.56%0.05620%0.203CC..EExtended strand (participates in β ladder)trans-151.7133.4166.5-171.90000109.9S346 R457S337-S346 PolarHBondContact N-O 2.76Å; S337-S346 PolarHBondContact O-N 2.91Å; S337-R457 WeakPolarHBondContact CB-O 3.48Å; S337-R457 PolarHBondContact OG-O 2.94Å
338Y97.8Very high94Very high5 Ų535.2 Ų35.22%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-107.8134.8172.8-174.3-111.5000111.4P340 R344 L345 I404 P406 L409 R456Y338-P340 HydrophobicContact CD1-CB 4.45Å; Y338-P340 HydrophobicContact CD1-CG 3.76Å; Y338-P340 HydrophobicContact CE1-CB 3.83Å; Y338-P340 HydrophobicContact CE1-CG 3.63Å; Y338-R344 WeakPolarHBondContact CD2-O 3.35Å; Y338-L345 HydrophobicContact CD2-CB 4.04Å; Y338-L345 HydrophobicContact CD2-CD1 4.27Å; Y338-I404 HydrophobicContact CE2-CB 4.24Å; Y338-I404 HydrophobicContact CE2-CG2 4.43Å; Y338-I404 WeakPolarHBondContact CE2-O 3.28Å; Y338-I404 PolarHBondContact OH-O 3.23Å; Y338-P406 WeakPolarHBondContact OH-CA 3.3Å; Y338-P406 WeakPolarHBondContact OH-CD 2.92Å; Y338-P406 VanDerWaalsContact OH-N 3.16Å; Y338-L409 HydrophobicContact CD1-CD1 4.42Å; Y338-L409 HydrophobicContact CD1-CD2 3.5Å; Y338-L409 VanDerWaalsContact CD1-CD2 3.5Å; Y338-L409 HydrophobicContact CD2-CD1 3.85Å; Y338-L409 HydrophobicContact CD2-CD2 4.42Å; Y338-L409 HydrophobicContact CE1-CD2 3.71Å; Y338-L409 HydrophobicContact CE2-CD1 4.06Å; Y338-L409 HydrophobicContact CG-CD1 4.05Å; Y338-L409 HydrophobicContact CG-CD2 3.89Å; Y338-R456 PolarHBondContact O-N 2.84Å
339Q96.6Very high95.7Very high79 Ų7932.1 Ų32.137%0.36917%0.167SC..EExtended strand (participates in β ladder)trans-119.994.5179.4-64.4-177.92.400109V341 S342 H343 R344 R456Q339-V341 PolarHBondContact O-N 2.98Å; Q339-S342 WeakPolarHBondContact CB-OG 3.42Å; Q339-S342 PolarHBondContact O-N 3.21Å; Q339-S342 PolarHBondContact O-OG 2.96Å; Q339-H343 PolarHBondContact O-N 2.9Å; Q339-H343 VanDerWaalsContact O-N 3.09Å; Q339-R344 HydrophobicContact CB-CB 4.45Å; Q339-R344 PolarHBondContact N-O 2.83Å; Q339-R344 PolarHBondContact O-N 3.09Å; Q339-R456 HydrophobicContact CG-CG 4.42Å
340P93.8Very high96.6Very high40 Ų4031 Ų3126%0.2617%0.166SC..G310 helixtrans-58.9-45.8-173.5-23.230000113.5Y338 S342 H343 P406 P455Y338-P340 HydrophobicContact CD1-CB 4.45Å; Y338-P340 HydrophobicContact CD1-CG 3.76Å; Y338-P340 HydrophobicContact CE1-CB 3.83Å; Y338-P340 HydrophobicContact CE1-CG 3.63Å; P340-S342 VanDerWaalsContact C-N 3.25Å; P340-S342 PolarHBondContact O-N 3.42Å; P340-H343 PolarHBondContact O-CD2 2.95Å; P340-H343 PolarHBondContact O-N 2.69Å; P340-P406 HydrophobicContact CB-CG 4.45Å; P340-P455 HydrophobicContact CG-CB 3.75Å
341V94Very high97Very high134 Ų13435.3 Ų35.381%0.81218%0.184SC*.G310 helixtrans-60.6-32.6-175.1-179.20000112.9Q339Q339-V341 PolarHBondContact O-N 2.98Å
342S94.9Very high97.2Very high54 Ų5433.9 Ų33.938%0.37818%0.178SC..G310 helixtrans-98.51.4175.361.70000113.3Q339 P340 R344Q339-S342 WeakPolarHBondContact CB-OG 3.42Å; Q339-S342 PolarHBondContact O-N 3.21Å; Q339-S342 PolarHBondContact O-OG 2.96Å; P340-S342 VanDerWaalsContact C-N 3.25Å; P340-S342 PolarHBondContact O-N 3.42Å; S342-R344 VanDerWaalsContact C-N 3.3Å; S342-R344 WeakPolarHBondContact O-CG 3.22Å; S342-R344 PolarHBondContact O-N 3.04Å
343H96.3Very high96.9Very high83 Ų8337.9 Ų37.938%0.38419%0.193SC..THydrogen-bonded Turntrans55.737.9-174.5-60.7-138.5000112.7Q339 P340 D403 I404Q339-H343 PolarHBondContact O-N 2.9Å; Q339-H343 VanDerWaalsContact O-N 3.09Å; P340-H343 PolarHBondContact O-CD2 2.95Å; P340-H343 PolarHBondContact O-N 2.69Å; H343-D403 CarbonylContact O-C 3.44Å; H343-D403 VanDerWaalsContact O-CA 3.3Å; H343-D403 WeakPolarHBondContact O-CA 3.25Å; H343-I404 CarbonylContact C-O 3.5Å; H343-I404 CarbonylContact O-C 3.57Å; H343-I404 PolarHBondContact O-N 3.21Å
344R96.4Very high96.4Very high106 Ų10642.3 Ų42.340%0.421%0.213SC..EExtended strand (participates in β ladder)trans-116.6124.1-171-75.2168.1112.6-158.73.3113.6Y338 Q339 S342 I401Y338-R344 WeakPolarHBondContact CD2-O 3.35Å; Q339-R344 HydrophobicContact CB-CB 4.45Å; Q339-R344 PolarHBondContact N-O 2.83Å; Q339-R344 PolarHBondContact O-N 3.09Å; S342-R344 VanDerWaalsContact C-N 3.3Å; S342-R344 WeakPolarHBondContact O-CG 3.22Å; S342-R344 PolarHBondContact O-N 3.04Å; R344-I401 HydrophobicContact CB-CG2 4.34Å; R344-I401 HydrophobicContact CG-CG2 4.18Å
345L97.8Very high96Very high0 Ų042.6 Ų42.60%021%0.214CC..EExtended strand (participates in β ladder)trans-97.8115.4165.2-177.964.5000109.5Y338 V347 I401 Y402 I404 V412 V414 W448Y338-L345 HydrophobicContact CD2-CB 4.04Å; Y338-L345 HydrophobicContact CD2-CD1 4.27Å; L345-V347 HydrophobicContact CD2-CG2 4.22Å; L345-V347 HydrophobicContact CG-CG2 3.99Å; L345-I401 WeakPolarHBondContact O-CA 3.05Å; L345-Y402 PolarHBondContact N-O 3.36Å; L345-Y402 PolarHBondContact O-N 2.38Å; L345-I404 HydrophobicContact CB-CB 4.41Å; L345-I404 HydrophobicContact CB-CG1 3.94Å; L345-I404 HydrophobicContact CD2-CG1 4.34Å; L345-V412 HydrophobicContact CD2-CG1 4.36Å; L345-V414 HydrophobicContact CD2-CG2 3.96Å; L345-W448 HydrophobicContact CD1-CH2 4.41Å; L345-W448 HydrophobicContact CD1-CZ3 4.43Å; L345-W448 HydrophobicContact CD2-CH2 3.92Å; L345-W448 HydrophobicContact CD2-CZ3 4.25Å
346S97.9Very high95.2Very high32 Ų3244.4 Ų44.422%0.22423%0.226CC..EExtended strand (participates in β ladder)trans-93.3130.7170.2-171.80000110L336 S337L336-S346 WeakPolarHBondContact CA-O 3.43Å; S337-S346 PolarHBondContact N-O 2.76Å; S337-S346 PolarHBondContact O-N 2.91Å
347V98.4Very high93.8Very high0 Ų052.3 Ų52.30%026%0.261CS..EExtended strand (participates in β ladder)trans-129.9109.3179.7-176.80000108.8L336 L345 V371 F400 Y402 V414 F416L336-V347 HydrophobicContact CD1-CG1 4.15Å; L336-V347 HydrophobicContact CG-CG2 4.4Å; L345-V347 HydrophobicContact CD2-CG2 4.22Å; L345-V347 HydrophobicContact CG-CG2 3.99Å; V347-V371 HydrophobicContact CG1-CG1 4.13Å; V347-F400 PolarHBondContact N-O 2.93Å; V347-F400 PolarHBondContact O-N 3.28Å; V347-Y402 HydrophobicContact CB-CE2 4.13Å; V347-Y402 HydrophobicContact CG2-CD2 4.01Å; V347-Y402 HydrophobicContact CG2-CE2 3.93Å; V347-V414 HydrophobicContact CG1-CG1 4.09Å; V347-V414 HydrophobicContact CG2-CG1 4.34Å; V347-V414 HydrophobicContact CG2-CG2 4.4Å; V347-F416 HydrophobicContact CG1-CE1 3.58Å; V347-F416 HydrophobicContact CG1-CZ 3.5Å; V347-F416 VanDerWaalsContact CG1-CZ 3.5Å
348V98.6Very high92.2Very high18 Ų1854.6 Ų54.611%0.10927%0.271CS..EExtended strand (participates in β ladder)trans-106.1122.4179.5-168.10000110S335 L350 E398S335-V348 PolarHBondContact N-O 3.37Å; S335-V348 PolarHBondContact O-N 3.49Å; V348-L350 HydrophobicContact CG1-CD2 3.72Å; V348-L350 HydrophobicContact CG1-CG 4.08Å; V348-E398 WeakPolarHBondContact CA-O 3.47Å
349V98.6Very high90Very high0 Ų056.7 Ų56.70%028%0.283CS..EExtended strand (participates in β ladder)trans-88.3108.5168.5-175.40000107.1L332 V369 V371 T385 F396 N397 E398 F400 F416L332-V349 HydrophobicContact CD1-CG1 4.17Å; V349-V369 HydrophobicContact CG1-CB 4.09Å; V349-V369 HydrophobicContact CG1-CG1 4.43Å; V349-V369 HydrophobicContact CG1-CG2 3.79Å; V349-V369 HydrophobicContact CG2-CG1 4.43Å; V349-V371 HydrophobicContact CG2-CG2 3.74Å; V349-T385 HydrophobicContact CB-CG2 3.98Å; V349-T385 HydrophobicContact CG1-CG2 4.02Å; V349-T385 HydrophobicContact CG2-CG2 4.13Å; V349-F396 HydrophobicContact CB-CB 4.35Å; V349-F396 HydrophobicContact CG1-CB 3.94Å; V349-F396 HydrophobicContact CG1-CD2 3.64Å; V349-F396 HydrophobicContact CG1-CE2 4.39Å; V349-F396 HydrophobicContact CG1-CG 3.91Å; V349-F396 WeakPolarHBondContact O-CB 2.95Å; V349-N397 WeakPolarHBondContact O-CA 3.26Å; V349-N397 PolarHBondContact O-N 2.93Å; V349-E398 PolarHBondContact N-O 3.04Å; V349-E398 PolarHBondContact O-N 2.96Å; V349-F400 HydrophobicContact CG2-CD2 4.26Å; V349-F400 HydrophobicContact CG2-CE2 3.88Å; V349-F416 HydrophobicContact CG2-CD1 4.03Å; V349-F416 HydrophobicContact CG2-CE1 3.98Å
350L98.2Very high87.5Confident36 Ų3662.5 Ų62.519%0.18831%0.312CS..EExtended strand (participates in β ladder)trans-87.8-68.8-174.2-68.6167000110.9L333 V348 F396 N397L333-L350 HydrophobicContact CB-CB 4.35Å; L333-L350 HydrophobicContact CD2-CB 4.09Å; L333-L350 HydrophobicContact CD2-CD1 4.03Å; L333-L350 HydrophobicContact CG-CB 4.01Å; L333-L350 HydrophobicContact CG-CD1 3.88Å; L333-L350 WeakPolarHBondContact O-CB 3.23Å; L333-L350 PolarHBondContact O-N 3.04Å; L333-L350 VanDerWaalsContact O-N 3.12Å; V348-L350 HydrophobicContact CG1-CD2 3.72Å; V348-L350 HydrophobicContact CG1-CG 4.08Å; L350-F396 WeakPolarHBondContact O-CA 3.2Å; L350-F396 PolarHBondContact O-N 2.62Å; L350-N397 PolarHBondContact O-N 2.36Å; L350-N397 PolarHBondContact O-OD1 3.34Å
351K97.4Very high85.3Confident89 Ų8965.6 Ų65.639%0.38733%0.331SS..EExtended strand (participates in β ladder)trans-158.6158.9-179.358.2-176.4177.4-176.20111.9L333 P394 V395 W462L333-K351 HydrophobicContact CB-CG 4.12Å; L333-K351 WeakPolarHBondContact CB-O 3.48Å; L333-K351 HydrophobicContact CD2-CG 4.06Å; L333-K351 PolarHBondContact N-O 3.21Å; K351-P394 CarbonylContact C-O 3.3Å; K351-P394 WeakPolarHBondContact CA-O 3.37Å; K351-P394 VanDerWaalsContact CB-O 3.26Å; K351-P394 WeakPolarHBondContact CB-O 3.48Å; K351-V395 HydrophobicContact CB-CB 4.42Å; K351-V395 HydrophobicContact CB-CG2 4.1Å; K351-V395 HydrophobicContact CD-CG2 4.47Å; K351-W462 HydrophobicContact CD-CH2 4.3Å; K351-W462 HydrophobicContact CG-CH2 3.92Å; K351-W462 HydrophobicContact CG-CZ2 4.42Å
352A96.9Very high83.1Confident2 Ų262.6 Ų62.62%0.01733%0.326CS..EExtended strand (participates in β ladder)trans-117.4162.5167.100000110.8E331 L332 L355 N393 P394 F396E331-A352 CarbonylContact O-C 3.6Å; E331-A352 WeakPolarHBondContact O-CA 2.86Å; E331-A352 WeakPolarHBondContact O-CB 3.47Å; L332-A352 HydrophobicContact CD1-CB 3.95Å; A352-L355 HydrophobicContact CB-CD1 4.11Å; A352-L355 HydrophobicContact CB-CD2 4.17Å; A352-L355 HydrophobicContact CB-CG 4.22Å; A352-N393 CarbonylContact O-C 3.56Å; A352-N393 VanDerWaalsContact O-C 3.3Å; A352-N393 VanDerWaalsContact O-CA 3.27Å; A352-N393 WeakPolarHBondContact O-CA 3.09Å; A352-P394 HydrophobicContact CB-CG 3.88Å; A352-P394 PolarHBondContact N-O 3.33Å; A352-F396 HydrophobicContact CB-CE2 4.46Å
353R92.4Very high81.1Confident85 Ų8565.7 Ų65.732%0.32134%0.338SS..EExtended strand (participates in β ladder)trans-143.6159.417367.4-178.7-178.8-174.6-1.6111.8G330 E331 L355 N393 W462G330-R353 CarbonylContact C-O 3.57Å; G330-R353 WeakPolarHBondContact CA-O 3.43Å; E331-R353 HydrophobicContact CB-CG 4.23Å; E331-R353 VanDerWaalsContact CD-NH2 3.29Å; E331-R353 PolarHBondContact N-O 2.78Å; E331-R353 PolarHBondContact O-N 2.94Å; E331-R353 IonicContact OE1-CZ 3.91Å; E331-R353 IonicContact OE1-NE 3.98Å; E331-R353 IonicContact OE1-NH2 2.77Å; E331-R353 PolarHBondContact OE1-NH2 3.37Å; E331-R353 IonicContact OE2-CZ 3.16Å; E331-R353 IonicContact OE2-NE 2.68Å; E331-R353 PolarHBondContact OE2-NE 2.88Å; E331-R353 IonicContact OE2-NH2 3.78Å; E331-R353 PolarHBondContact OE2-NH2 2.83Å; R353-L355 PolarHBondContact O-N 2.82Å; R353-N393 WeakPolarHBondContact CA-OD1 3.26Å; R353-N393 WeakPolarHBondContact CB-OD1 3.26Å; R353-W462 HydrophobicContact CB-CH2 4.29Å; R353-W462 HydrophobicContact CB-CZ3 4.41Å; R353-W462 HydrophobicContact CG-CH2 3.8Å; R353-W462 HydrophobicContact CG-CZ3 3.7Å
354H87.5Confident79.5Confident116 Ų11663.8 Ų63.854%0.53733%0.334SS..SBendtrans57.429.4176.8-45.5140.5000114.5G330 E331 L392 N393G330-H354 WeakPolarHBondContact CA-O 3.38Å; G330-H354 PolarHBondContact N-O 2.87Å; E331-H354 IonicContact OE2-ND1 3.62Å; H354-L392 PolarHBondContact N-O 2.65Å; H354-N393 PolarHBondContact N-OD1 2.8Å
355L89.3Confident78.4Confident5 Ų558.7 Ų58.73%0.02632%0.315CS..PPolyproline II helixtrans-61.3145.9176.3-62.6174.8000110.9A352 R353 P367 L392 P394 V418 L430 L465A352-L355 HydrophobicContact CB-CD1 4.11Å; A352-L355 HydrophobicContact CB-CD2 4.17Å; A352-L355 HydrophobicContact CB-CG 4.22Å; R353-L355 PolarHBondContact O-N 2.82Å; L355-P367 HydrophobicContact CD1-CB 3.72Å; L355-P367 HydrophobicContact CD1-CG 3.89Å; L355-L392 HydrophobicContact CB-CB 4.36Å; L355-L392 WeakPolarHBondContact CB-O 3.36Å; L355-L392 WeakPolarHBondContact CG-O 3.25Å; L355-L392 PolarHBondContact N-O 2.71Å; L355-L392 VanDerWaalsContact N-O 3.13Å; L355-P394 HydrophobicContact CD1-CG 3.78Å; L355-V418 HydrophobicContact CD1-CG1 4.13Å; L355-V418 HydrophobicContact CD2-CG1 3.96Å; L355-L430 HydrophobicContact CD1-CD1 4.39Å; L355-L465 HydrophobicContact CD2-CD1 3.73Å
356P80.7Confident78Confident40 Ų4060.4 Ų60.426%0.2632%0.324SS..PPolyproline II helixtrans-67.9153.1-178.427.6-34.3000112.2R329 L430R329-P356 WeakPolarHBondContact O-CD 3.17Å; P356-L430 HydrophobicContact CG-CD2 3.84Å
357K69.6Low77.8Confident167 Ų16758.9 Ų58.973%0.72631%0.313SS*.PPolyproline II helixtrans-87.9127167.3-64.7179.6179.5-176.80108.8L392K357-L392 HydrophobicContact CD-CD1 4.24Å; K357-L392 HydrophobicContact CG-CD1 3.59Å; K357-L392 HydrophobicContact CG-CD2 4.2Å
358M62.5Low77.7Confident56 Ų5659.7 Ų59.728%0.27632%0.316SS..  trans-114.1-25.8178-97.3140.638.400112.7M360 D420 E428 L430M358-M360 PolarHBondContact O-N 2.91Å; M358-D420 HydrophobicContact CE-CB 3.75Å; M358-E428 HydrophobicContact CE-CB 3.57Å; M358-E428 HydrophobicContact CE-CG 3.54Å; M358-E428 HydrophobicContact SD-CG 4.09Å; M358-L430 HydrophobicContact CE-CD2 3.59Å; M358-L430 HydrophobicContact CE-CG 4.13Å; M358-L430 HydrophobicContact SD-CD2 3.57Å; M358-L430 VanDerWaalsContact SD-CD2 3.57Å; M358-L430 HydrophobicContact SD-CG 4.49Å
359D52.9Low77.7Confident49 Ų4958.8 Ų58.826%0.26231%0.311SS..  trans-65.7113.5-176.1-46.263.1000112.8T361 G362 L363D359-T361 PolarHBondContact O-N 3.08Å; D359-T361 VanDerWaalsContact O-N 3.08Å; D359-G362 PolarHBondContact O-N 3.32Å; D359-G362 VanDerWaalsContact O-N 3.13Å; D359-L363 WeakPolarHBondContact CB-O 3.27Å
360M43.3Very low77.7Confident200 Ų20061 Ų6199%0.98532%0.32SS*.THydrogen-bonded Turntrans-61.5-14.5169.6-69.6-174-69.800113.4M358M358-M360 PolarHBondContact O-N 2.91Å
361T48Very low77.7Confident106 Ų10659.2 Ų59.265%0.6531%0.311SS*.THydrogen-bonded Turntrans-84.8-7.8178.557.10000113.5D359 L363D359-T361 PolarHBondContact O-N 3.08Å; D359-T361 VanDerWaalsContact O-N 3.08Å; T361-L363 PolarHBondContact O-N 3.04Å
362G48.1Very low77.7Confident70 Ų7055.2 Ų55.272%0.72229%0.294SS*.  trans72.50.6-177.500000115.1D359D359-G362 PolarHBondContact O-N 3.32Å; D359-G362 VanDerWaalsContact O-N 3.13Å
363L51.9Low77.8Confident120 Ų12055.1 Ų55.163%0.62829%0.293SS*.  trans-67.4159.2165.7-64.2173.4000109.7D359 T361D359-L363 WeakPolarHBondContact CB-O 3.27Å; T361-L363 PolarHBondContact O-N 3.04Å
364S62.8Low78Confident42 Ų4253 Ų5329%0.29429%0.286SS..  trans-92141-178.1370000112C390S364-C390 WeakPolarHBondContact O-CA 3.38Å; S364-C390 WeakPolarHBondContact OG-CA 3.31Å; S364-C390 VanDerWaalsContact OG-CB 3.32Å; S364-C390 WeakPolarHBondContact OG-CB 3.4Å; S364-C390 PolarHBondContact OG-O 3.11Å
365A73.3Confident78.3Confident0 Ų051.8 Ų51.80%028%0.278CS..  trans-45.9153.7176.600000114.1P367 C390 T391 L392 D420A365-P367 WeakPolarHBondContact O-CD 3.49Å; A365-C390 CarbonylContact O-C 3.59Å; A365-C390 WeakPolarHBondContact O-CA 3.15Å; A365-C390 PolarHBondContact O-N 2.86Å; A365-C390 VanDerWaalsContact O-N 3.12Å; A365-T391 PolarHBondContact O-N 2.96Å; A365-L392 HydrophobicContact CB-CD2 3.87Å; A365-D420 WeakPolarHBondContact CA-OD2 3.3Å; A365-D420 WeakPolarHBondContact CB-OD2 3.12Å
366N89.3Confident78.3Confident35 Ų3553.6 Ų53.619%0.18730%0.298CS..  trans-114.965.7177.3-56.2-75.5000110.6V387 K388 K389 C390 D420 F421N366-V387 HydrophobicContact CB-CG1 3.89Å; N366-V387 WeakPolarHBondContact O-CG1 3.46Å; N366-K388 CarbonylContact C-O 3.58Å; N366-K388 VanDerWaalsContact C-O 3.29Å; N366-K388 VanDerWaalsContact CA-O 3.25Å; N366-K388 WeakPolarHBondContact CA-O 3.41Å; N366-K389 VanDerWaalsContact OD1-CA 3.27Å; N366-K389 WeakPolarHBondContact OD1-CA 3.19Å; N366-C390 PolarHBondContact OD1-N 3.05Å; N366-D420 WeakPolarHBondContact CA-OD1 3.25Å; N366-D420 PolarHBondContact N-OD1 3.29Å; N366-F421 HydrophobicContact CB-CB 4.11Å; N366-F421 WeakPolarHBondContact CB-O 3.07Å; N366-F421 PolarHBondContact ND2-O 2.87Å; N366-F421 WeakPolarHBondContact O-CB 3.47Å; N366-F421 PolarHBondContact O-N 3.17Å
367P93.8Very high78.7Confident0 Ų063.8 Ų63.80%033%0.331CS..EExtended strand (participates in β ladder)trans-66.8143.3-170.927.7-38.3000114.4L355 A365 K388 T391 P394 F396 V418 V419 L430L355-P367 HydrophobicContact CD1-CB 3.72Å; L355-P367 HydrophobicContact CD1-CG 3.89Å; A365-P367 WeakPolarHBondContact O-CD 3.49Å; P367-K388 VanDerWaalsContact CD-O 3.27Å; P367-K388 WeakPolarHBondContact CD-O 3.35Å; P367-K388 PolarHBondContact O-N 3.32Å; P367-T391 WeakPolarHBondContact CD-O 3.46Å; P367-T391 HydrophobicContact CG-CG2 4.31Å; P367-T391 VanDerWaalsContact CG-O 3.27Å; P367-T391 WeakPolarHBondContact CG-O 3.19Å; P367-P394 HydrophobicContact CB-CG 4.11Å; P367-P394 HydrophobicContact CG-CB 3.76Å; P367-P394 HydrophobicContact CG-CG 3.56Å; P367-F396 HydrophobicContact CB-CZ 4.46Å; P367-V418 HydrophobicContact CB-CG1 4.36Å; P367-V419 WeakPolarHBondContact CA-O 3.12Å; P367-L430 HydrophobicContact CB-CD1 3.87Å
368Y97Very high79.8Confident17 Ų1763.1 Ų63.17%0.06733%0.329CS..EExtended strand (participates in β ladder)trans-139.5157.2162.569.5-73000110.5K370 K384 V387 V419 F421Y368-K370 HydrophobicContact CD2-CG 4.29Å; Y368-K370 HydrophobicContact CE2-CD 4.26Å; Y368-K370 HydrophobicContact CE2-CG 3.82Å; Y368-K370 WeakPolarHBondContact OH-CE 3.41Å; Y368-K370 PolarHBondContact OH-NZ 2.88Å; Y368-K384 HydrophobicContact CD2-CB 4.36Å; Y368-K384 HydrophobicContact CD2-CD 4.5Å; Y368-K384 HydrophobicContact CE2-CD 4.47Å; Y368-V387 HydrophobicContact CD1-CG2 4.07Å; Y368-V387 HydrophobicContact CG-CG2 4.13Å; Y368-V419 HydrophobicContact CD1-CB 4.23Å; Y368-V419 HydrophobicContact CD1-CG1 4.44Å; Y368-V419 WeakPolarHBondContact CD1-O 3.45Å; Y368-V419 HydrophobicContact CE1-CB 3.8Å; Y368-V419 HydrophobicContact CE1-CG1 3.58Å; Y368-V419 HydrophobicContact CE2-CB 4.47Å; Y368-V419 PolarHBondContact N-O 2.96Å; Y368-V419 PolarHBondContact O-N 2.83Å; Y368-F421 HydrophobicContact CD1-CB 3.91Å; Y368-F421 HydrophobicContact CE1-CB 3.87Å; Y368-F421 HydrophobicContact CE1-CD2 4.3Å
369V98.2Very high81.4Confident0 Ų066.8 Ų66.80%034%0.339CS..EExtended strand (participates in β ladder)trans-109.6127.3179.4-169.60000109.9L332 V349 V371 K384 T385 F396 F416 L417 V418L332-V369 HydrophobicContact CD1-CG2 4.32Å; L332-V369 HydrophobicContact CD2-CG1 4.43Å; V349-V369 HydrophobicContact CG1-CB 4.09Å; V349-V369 HydrophobicContact CG1-CG1 4.43Å; V349-V369 HydrophobicContact CG1-CG2 3.79Å; V349-V369 HydrophobicContact CG2-CG1 4.43Å; V369-V371 HydrophobicContact CG1-CG2 4.34Å; V369-K384 CarbonylContact O-C 3.57Å; V369-K384 VanDerWaalsContact O-CA 3.25Å; V369-K384 WeakPolarHBondContact O-CA 3.45Å; V369-T385 HydrophobicContact CB-CG2 3.95Å; V369-T385 HydrophobicContact CG2-CG2 4.49Å; V369-T385 PolarHBondContact N-OG1 3.12Å; V369-T385 PolarHBondContact O-N 2.89Å; V369-F396 HydrophobicContact CG2-CD2 4.18Å; V369-F396 HydrophobicContact CG2-CE1 4.34Å; V369-F396 HydrophobicContact CG2-CE2 3.65Å; V369-F396 HydrophobicContact CG2-CZ 3.75Å; V369-F416 HydrophobicContact CG1-CB 3.86Å; V369-F416 HydrophobicContact CG1-CD1 4.13Å; V369-L417 CarbonylContact C-O 3.5Å; V369-L417 WeakPolarHBondContact CA-O 3.36Å; V369-V418 HydrophobicContact CG2-CG2 4.14Å
370K98.2Very high83.4Confident45 Ų4568.4 Ų68.420%0.19635%0.347CS..EExtended strand (participates in β ladder)trans-91.8127.1166.7-59.4166.3-172157.20107.7Y368 K384 F416 L417 V419Y368-K370 HydrophobicContact CD2-CG 4.29Å; Y368-K370 HydrophobicContact CE2-CD 4.26Å; Y368-K370 HydrophobicContact CE2-CG 3.82Å; Y368-K370 WeakPolarHBondContact OH-CE 3.41Å; Y368-K370 PolarHBondContact OH-NZ 2.88Å; K370-K384 HydrophobicContact CG-CB 4.5Å; K370-F416 WeakPolarHBondContact O-CA 3.46Å; K370-L417 HydrophobicContact CB-CB 4.29Å; K370-L417 PolarHBondContact N-O 2.74Å; K370-L417 PolarHBondContact O-N 2.84Å; K370-V419 HydrophobicContact CD-CG2 3.96Å; K370-V419 HydrophobicContact CG-CG2 4.44Å
371V98.4Very high86Confident0 Ų060.3 Ų60.30%031%0.312CS..EExtended strand (participates in β ladder)trans-108.1104.4176.8-173.80000108.1V347 V349 V369 K382 K383 F400 Y402 V414 E415 F416V347-V371 HydrophobicContact CG1-CG1 4.13Å; V349-V371 HydrophobicContact CG2-CG2 3.74Å; V369-V371 HydrophobicContact CG1-CG2 4.34Å; V371-K382 CarbonylContact O-C 3.51Å; V371-K382 WeakPolarHBondContact O-CA 3.38Å; V371-K383 PolarHBondContact N-O 3.47Å; V371-K383 PolarHBondContact O-N 2.86Å; V371-F400 HydrophobicContact CB-CD2 4.24Å; V371-F400 HydrophobicContact CG2-CD2 3.76Å; V371-F400 HydrophobicContact CG2-CE2 3.74Å; V371-Y402 HydrophobicContact CG1-CE2 4.42Å; V371-Y402 WeakPolarHBondContact CG1-OH 3.22Å; V371-Y402 PolarHBondContact O-OH 2.85Å; V371-V414 HydrophobicContact CG1-CG1 3.72Å; V371-E415 CarbonylContact C-O 3.54Å; V371-E415 WeakPolarHBondContact CA-O 3.37Å; V371-F416 HydrophobicContact CG1-CD1 4.48Å; V371-F416 HydrophobicContact CG1-CE1 4.28Å; V371-F416 HydrophobicContact CG2-CD1 3.88Å; V371-F416 HydrophobicContact CG2-CE1 4.13Å
372N97.9Very high88.3Confident5 Ų561.1 Ų61.13%0.02731%0.306CS..EExtended strand (participates in β ladder)trans-97.6133.4175-60.6-48.7000108.4F374 R379 A381 K382 E415N372-F374 HydrophobicContact CB-CD2 4.28Å; N372-F374 HydrophobicContact CB-CE2 3.58Å; N372-F374 HydrophobicContact CB-CZ 4.26Å; N372-R379 HydrophobicContact CB-CG 4.28Å; N372-A381 WeakPolarHBondContact CA-O 3.49Å; N372-K382 WeakPolarHBondContact OD1-CD 3.41Å; N372-K382 VanDerWaalsContact OD1-CG 3.25Å; N372-K382 WeakPolarHBondContact OD1-CG 3.39Å; N372-E415 HydrophobicContact CB-CB 4.25Å; N372-E415 PolarHBondContact N-O 2.85Å; N372-E415 PolarHBondContact ND2-OE2 2.89Å; N372-E415 PolarHBondContact O-N 3.13Å
373V97.8Very high90.7Very high0 Ų061.9 Ų61.90%029%0.29CS..EExtended strand (participates in β ladder)trans-111.4131.8172-173.20000108.6R379 I380 A381 Y402 I404 V412 S413 V414V373-R379 CarbonylContact O-C 3.53Å; V373-R379 WeakPolarHBondContact O-CA 3.37Å; V373-R379 WeakPolarHBondContact O-CG 3.33Å; V373-I380 HydrophobicContact CB-CG1 4.23Å; V373-I380 HydrophobicContact CG1-CD1 4.03Å; V373-I380 HydrophobicContact CG1-CG1 4.03Å; V373-I380 WeakPolarHBondContact O-CG1 3.29Å; V373-I380 PolarHBondContact O-N 3.49Å; V373-A381 HydrophobicContact CB-CB 4.2Å; V373-A381 HydrophobicContact CG2-CB 4.5Å; V373-A381 PolarHBondContact N-O 2.72Å; V373-A381 PolarHBondContact O-N 2.85Å; V373-A381 VanDerWaalsContact O-N 3.15Å; V373-Y402 HydrophobicContact CB-CD1 4.5Å; V373-Y402 HydrophobicContact CB-CE1 4.48Å; V373-Y402 HydrophobicContact CG2-CD1 3.74Å; V373-Y402 HydrophobicContact CG2-CD2 4Å; V373-Y402 HydrophobicContact CG2-CE1 3.52Å; V373-Y402 HydrophobicContact CG2-CE2 3.81Å; V373-Y402 HydrophobicContact CG2-CG 3.96Å; V373-I404 HydrophobicContact CG1-CD1 4.47Å; V373-V412 HydrophobicContact CG1-CG1 3.88Å; V373-S413 WeakPolarHBondContact CA-O 3.37Å; V373-V414 HydrophobicContact CG2-CG2 4.4Å
374F96.9Very high92.9Very high39 Ų3963 Ų6317%0.17129%0.289CS..EExtended strand (participates in β ladder)trans-117.1149.7179.9-63.9-104000110.4N372 K378 R379 V412 S413 E415N372-F374 HydrophobicContact CB-CD2 4.28Å; N372-F374 HydrophobicContact CB-CE2 3.58Å; N372-F374 HydrophobicContact CB-CZ 4.26Å; F374-K378 CarbonylContact C-O 3.57Å; F374-K378 VanDerWaalsContact CA-O 3.3Å; F374-K378 WeakPolarHBondContact CA-O 3.35Å; F374-R379 HydrophobicContact CD1-CB 3.75Å; F374-R379 HydrophobicContact CD1-CG 4.41Å; F374-R379 HydrophobicContact CE1-CB 3.65Å; F374-R379 HydrophobicContact CE1-CG 4.25Å; F374-R379 HydrophobicContact CE2-CG 4.48Å; F374-R379 HydrophobicContact CG-CB 4.35Å; F374-R379 HydrophobicContact CZ-CB 4.16Å; F374-R379 HydrophobicContact CZ-CG 4.28Å; F374-V412 VanDerWaalsContact O-CA 3.29Å; F374-V412 WeakPolarHBondContact O-CA 3.36Å; F374-S413 PolarHBondContact N-O 2.87Å; F374-S413 PolarHBondContact O-N 2.87Å; F374-E415 HydrophobicContact CD2-CB 4.4Å; F374-E415 HydrophobicContact CE2-CB 3.89Å
375Y94.6Very high94.6Very high91 Ų9161.2 Ų61.236%0.35728%0.277SS..EExtended strand (participates in β ladder)trans-119.5115.1163.8170.1-104.7000106.9R377 K378 L408 D411 V412Y375-R377 PolarHBondContact O-N 3.38Å; Y375-K378 PolarHBondContact N-O 2.89Å; Y375-K378 PolarHBondContact O-N 2.96Å; Y375-L408 HydrophobicContact CD2-CB 4.04Å; Y375-L408 HydrophobicContact CE2-CB 3.87Å; Y375-L408 HydrophobicContact CE2-CD1 4.48Å; Y375-L408 HydrophobicContact CE2-CD2 3.75Å; Y375-L408 HydrophobicContact CE2-CG 4.22Å; Y375-D411 HydrophobicContact CD2-CB 3.85Å; Y375-D411 HydrophobicContact CE2-CB 3.66Å; Y375-V412 HydrophobicContact CD2-CG2 4.39Å
376G89.6Confident95.7Very high44 Ų4467.8 Ų67.845%0.45431%0.307SS..THydrogen-bonded Turntrans50.8-121.6-163.700000111D411G376-D411 PolarHBondContact N-O 3Å
377R87.9Confident96Very high253 Ų25368.7 Ų68.796%0.95531%0.314SS*.THydrogen-bonded Turntrans-89.5-4.4178.1-59.9-175.1-176.8-171.31.1114.6Y375Y375-R377 PolarHBondContact O-N 3.38Å
378K93.3Very high96Very high154 Ų15471.5 Ų71.567%0.6733%0.326SS*.EExtended strand (participates in β ladder)trans-98.7120.8-174.4-174.7178.5-179.7-1790110.9F374 Y375 I380F374-K378 CarbonylContact C-O 3.57Å; F374-K378 VanDerWaalsContact CA-O 3.3Å; F374-K378 WeakPolarHBondContact CA-O 3.35Å; Y375-K378 PolarHBondContact N-O 2.89Å; Y375-K378 PolarHBondContact O-N 2.96Å; K378-I380 PolarHBondContact O-N 3.32Å
379R95.9Very high95.7Very high133 Ų13378.7 Ų78.750%0.50236%0.358SS..EExtended strand (participates in β ladder)trans-69.6114171-170.1177.661-135.4-10109.7N372 V373 F374 A381N372-R379 HydrophobicContact CB-CG 4.28Å; V373-R379 CarbonylContact O-C 3.53Å; V373-R379 WeakPolarHBondContact O-CA 3.37Å; V373-R379 WeakPolarHBondContact O-CG 3.33Å; F374-R379 HydrophobicContact CD1-CB 3.75Å; F374-R379 HydrophobicContact CD1-CG 4.41Å; F374-R379 HydrophobicContact CE1-CB 3.65Å; F374-R379 HydrophobicContact CE1-CG 4.25Å; F374-R379 HydrophobicContact CE2-CG 4.48Å; F374-R379 HydrophobicContact CG-CB 4.35Å; F374-R379 HydrophobicContact CZ-CB 4.16Å; F374-R379 HydrophobicContact CZ-CG 4.28Å; R379-A381 WeakPolarHBondContact CG-O 3.47Å
380I95.5Very high95.1Very high83 Ų8382.4 Ų82.443%0.42638%0.383SS..EExtended strand (participates in β ladder)trans-92.3-29.4-179.956.7168.4000112.8V373 K378 I404V373-I380 HydrophobicContact CB-CG1 4.23Å; V373-I380 HydrophobicContact CG1-CD1 4.03Å; V373-I380 HydrophobicContact CG1-CG1 4.03Å; V373-I380 WeakPolarHBondContact O-CG1 3.29Å; V373-I380 PolarHBondContact O-N 3.49Å; K378-I380 PolarHBondContact O-N 3.32Å; I380-I404 HydrophobicContact CD1-CD1 3.76Å
381A96.7Very high94.6Very high29 Ų2982.1 Ų82.124%0.2439%0.385CS..EExtended strand (participates in β ladder)trans-145159.5177.900000113N372 V373 R379 Y402N372-A381 WeakPolarHBondContact CA-O 3.49Å; V373-A381 HydrophobicContact CB-CB 4.2Å; V373-A381 HydrophobicContact CG2-CB 4.5Å; V373-A381 PolarHBondContact N-O 2.72Å; V373-A381 PolarHBondContact O-N 2.85Å; V373-A381 VanDerWaalsContact O-N 3.15Å; R379-A381 WeakPolarHBondContact CG-O 3.47Å; A381-Y402 HydrophobicContact CB-CD1 3.64Å; A381-Y402 HydrophobicContact CB-CE1 3.59Å
382K97.4Very high94.1Very high123 Ų12383.7 Ų83.754%0.53539%0.393SS..EExtended strand (participates in β ladder)trans-150.6123.6175.7176.1171.8-180-173.20110.4V371 N372V371-K382 CarbonylContact O-C 3.51Å; V371-K382 WeakPolarHBondContact O-CA 3.38Å; N372-K382 WeakPolarHBondContact OD1-CD 3.41Å; N372-K382 VanDerWaalsContact OD1-CG 3.25Å; N372-K382 WeakPolarHBondContact OD1-CG 3.39Å
383K98.1Very high93.8Very high87 Ų8787.6 Ų87.638%0.37841%0.414SS..EExtended strand (participates in β ladder)trans-127.7171.4172.4-62.7-178.4-179.4177.10109.1V371 F400 I401 Y402V371-K383 PolarHBondContact N-O 3.47Å; V371-K383 PolarHBondContact O-N 2.86Å; K383-F400 HydrophobicContact CB-CD1 3.73Å; K383-F400 HydrophobicContact CB-CE1 3.96Å; K383-F400 HydrophobicContact CB-CG 4.18Å; K383-F400 HydrophobicContact CD-CB 4.05Å; K383-F400 HydrophobicContact CD-CD1 3.72Å; K383-F400 HydrophobicContact CD-CG 4.18Å; K383-F400 HydrophobicContact CG-CD1 4.31Å; K383-I401 PolarHBondContact NZ-O 2.73Å; K383-Y402 HydrophobicContact CD-CE1 3.9Å; K383-Y402 HydrophobicContact CG-CE1 4.16Å
384K97.7Very high93.7Very high143 Ų14387.7 Ų87.762%0.62241%0.414SS*.EExtended strand (participates in β ladder)trans-143.9151.6175.161.5165.6-174.8169.90110.4Y368 V369 K370 F400Y368-K384 HydrophobicContact CD2-CB 4.36Å; Y368-K384 HydrophobicContact CD2-CD 4.5Å; Y368-K384 HydrophobicContact CE2-CD 4.47Å; V369-K384 CarbonylContact O-C 3.57Å; V369-K384 VanDerWaalsContact O-CA 3.25Å; V369-K384 WeakPolarHBondContact O-CA 3.45Å; K370-K384 HydrophobicContact CG-CB 4.5Å; K384-F400 WeakPolarHBondContact O-CZ 3.14Å
385T98.5Very high93.8Very high4 Ų489.3 Ų89.33%0.02543%0.428CS..PPolyproline II helixtrans-74.8171.2167.868.50000111.4V349 V369 F396 E398 F400V349-T385 HydrophobicContact CB-CG2 3.98Å; V349-T385 HydrophobicContact CG1-CG2 4.02Å; V349-T385 HydrophobicContact CG2-CG2 4.13Å; V369-T385 HydrophobicContact CB-CG2 3.95Å; V369-T385 HydrophobicContact CG2-CG2 4.49Å; V369-T385 PolarHBondContact N-OG1 3.12Å; V369-T385 PolarHBondContact O-N 2.89Å; T385-F396 HydrophobicContact CG2-CB 4.29Å; T385-F396 HydrophobicContact CG2-CD1 3.93Å; T385-F396 HydrophobicContact CG2-CG 4.16Å; T385-F396 WeakPolarHBondContact OG1-CD1 3.1Å; T385-F396 WeakPolarHBondContact OG1-CE1 3.26Å; T385-E398 WeakPolarHBondContact CA-OE2 3.47Å; T385-E398 WeakPolarHBondContact CB-OE2 3.41Å; T385-E398 HydrophobicContact CG2-CB 4.24Å; T385-F400 HydrophobicContact CG2-CE2 3.96Å; T385-F400 HydrophobicContact CG2-CZ 3.97Å
386H97.6Very high93.9Very high138 Ų13885.4 Ų85.464%0.63941%0.413SS*.PPolyproline II helixtrans-65.4154.8160.9-64.674.5000110.7E398H386-E398 IonicContact CE1-OE2 3.5Å; H386-E398 IonicContact CG-OE2 3.59Å; H386-E398 PolarHBondContact N-OE1 3.09Å; H386-E398 PolarHBondContact N-OE2 3Å; H386-E398 IonicContact ND1-OE1 3.76Å; H386-E398 IonicContact ND1-OE2 3.93Å; H386-E398 PolarHBondContact ND1-OE2 2.83Å
387V95.5Very high94.3Very high55 Ų5588.4 Ų88.433%0.33342%0.418SS..PPolyproline II helixtrans-79.1122.5173.4177.30000108.7N366 Y368 F421N366-V387 HydrophobicContact CB-CG1 3.89Å; N366-V387 WeakPolarHBondContact O-CG1 3.46Å; Y368-V387 HydrophobicContact CD1-CG2 4.07Å; Y368-V387 HydrophobicContact CG-CG2 4.13Å; V387-F421 HydrophobicContact CG1-CB 3.82Å; V387-F421 HydrophobicContact CG1-CD1 4.27Å; V387-F421 HydrophobicContact CG1-CG 4.25Å; V387-F421 HydrophobicContact CG2-CB 3.98Å; V387-F421 HydrophobicContact CG2-CD1 4.5Å; V387-F421 HydrophobicContact CG2-CD2 4.44Å; V387-F421 HydrophobicContact CG2-CG 4.03Å
388K94.4Very high94.8Very high58 Ų5877.5 Ų77.525%0.25238%0.378SS..PPolyproline II helixtrans-95120171.3-52-64.5164.9144.60106.7N366 P367 T391 P394 V395 F396 E398N366-K388 CarbonylContact C-O 3.58Å; N366-K388 VanDerWaalsContact C-O 3.29Å; N366-K388 VanDerWaalsContact CA-O 3.25Å; N366-K388 WeakPolarHBondContact CA-O 3.41Å; P367-K388 VanDerWaalsContact CD-O 3.27Å; P367-K388 WeakPolarHBondContact CD-O 3.35Å; P367-K388 PolarHBondContact O-N 3.32Å; K388-T391 HydrophobicContact CB-CG2 4.02Å; K388-P394 HydrophobicContact CB-CB 3.84Å; K388-P394 HydrophobicContact CG-CB 3.94Å; K388-V395 WeakPolarHBondContact CD-O 3.27Å; K388-V395 WeakPolarHBondContact CE-O 3.28Å; K388-V395 PolarHBondContact NZ-O 3.32Å; K388-F396 HydrophobicContact CB-CE1 4.5Å; K388-F396 HydrophobicContact CD-CD1 4.39Å; K388-F396 HydrophobicContact CG-CD1 3.77Å; K388-F396 HydrophobicContact CG-CE1 3.57Å; K388-F396 HydrophobicContact CG-CZ 4.37Å; K388-F396 PolarHBondContact NZ-O 2.66Å; K388-F396 VanDerWaalsContact NZ-O 3.13Å; K388-E398 WeakPolarHBondContact CE-OE1 3.28Å; K388-E398 IonicContact NZ-OE1 3.42Å; K388-E398 PolarHBondContact NZ-OE1 3.43Å
389K90.1Very high95Very high168 Ų16874.1 Ų74.173%0.7337%0.373SS*.PPolyproline II helixtrans-79.8148.9-174.1-63.2-178.6-177.5176.50111.7N366 T391N366-K389 VanDerWaalsContact OD1-CA 3.27Å; N366-K389 WeakPolarHBondContact OD1-CA 3.19Å; K389-T391 PolarHBondContact O-N 2.82Å
390C85.4Confident95.1Very high78 Ų7868.9 Ų68.953%0.52735%0.354SS..SBendtrans51.843.1163.7-57.50000115.5S364 A365 N366S364-C390 WeakPolarHBondContact O-CA 3.38Å; S364-C390 WeakPolarHBondContact OG-CA 3.31Å; S364-C390 VanDerWaalsContact OG-CB 3.32Å; S364-C390 WeakPolarHBondContact OG-CB 3.4Å; S364-C390 PolarHBondContact OG-O 3.11Å; A365-C390 CarbonylContact O-C 3.59Å; A365-C390 WeakPolarHBondContact O-CA 3.15Å; A365-C390 PolarHBondContact O-N 2.86Å; A365-C390 VanDerWaalsContact O-N 3.12Å; N366-C390 PolarHBondContact OD1-N 3.05Å
391T87.4Confident95.2Very high39 Ų3967.7 Ų67.724%0.23935%0.348CS..  trans-148.1139.3-177.6-176.70000114A365 P367 K388 K389 N393 P394A365-T391 PolarHBondContact O-N 2.96Å; P367-T391 WeakPolarHBondContact CD-O 3.46Å; P367-T391 HydrophobicContact CG-CG2 4.31Å; P367-T391 VanDerWaalsContact CG-O 3.27Å; P367-T391 WeakPolarHBondContact CG-O 3.19Å; K388-T391 HydrophobicContact CB-CG2 4.02Å; K389-T391 PolarHBondContact O-N 2.82Å; T391-N393 PolarHBondContact OG1-N 2.7Å; T391-P394 HydrophobicContact CG2-CB 3.87Å
392L88.4Confident95.3Very high34 Ų3466.9 Ų66.918%0.17834%0.339CS..SBendtrans-95.3-3.4171-52.1178000112.6H354 L355 K357 A365 P394H354-L392 PolarHBondContact N-O 2.65Å; L355-L392 HydrophobicContact CB-CB 4.36Å; L355-L392 WeakPolarHBondContact CB-O 3.36Å; L355-L392 WeakPolarHBondContact CG-O 3.25Å; L355-L392 PolarHBondContact N-O 2.71Å; L355-L392 VanDerWaalsContact N-O 3.13Å; K357-L392 HydrophobicContact CD-CD1 4.24Å; K357-L392 HydrophobicContact CG-CD1 3.59Å; K357-L392 HydrophobicContact CG-CD2 4.2Å; A365-L392 HydrophobicContact CB-CD2 3.87Å; L392-P394 VanDerWaalsContact C-CD 3.43Å
393N92.2Very high95.2Very high87 Ų8766.8 Ų66.847%0.46535%0.345SS..SBendtrans-13059.3-179.2-55.4-63.7000110.4A352 R353 H354 T391A352-N393 CarbonylContact O-C 3.56Å; A352-N393 VanDerWaalsContact O-C 3.3Å; A352-N393 VanDerWaalsContact O-CA 3.27Å; A352-N393 WeakPolarHBondContact O-CA 3.09Å; R353-N393 WeakPolarHBondContact CA-OD1 3.26Å; R353-N393 WeakPolarHBondContact CB-OD1 3.26Å; H354-N393 PolarHBondContact N-OD1 2.8Å; T391-N393 PolarHBondContact OG1-N 2.7Å
394P95.3Very high95.1Very high1 Ų163 Ų631%0.00633%0.328CS..  trans-69.5138.6-173.629.8-38000112.8K351 A352 L355 P367 K388 T391 L392 F396K351-P394 CarbonylContact C-O 3.3Å; K351-P394 WeakPolarHBondContact CA-O 3.37Å; K351-P394 VanDerWaalsContact CB-O 3.26Å; K351-P394 WeakPolarHBondContact CB-O 3.48Å; A352-P394 HydrophobicContact CB-CG 3.88Å; A352-P394 PolarHBondContact N-O 3.33Å; L355-P394 HydrophobicContact CD1-CG 3.78Å; P367-P394 HydrophobicContact CB-CG 4.11Å; P367-P394 HydrophobicContact CG-CB 3.76Å; P367-P394 HydrophobicContact CG-CG 3.56Å; K388-P394 HydrophobicContact CB-CB 3.84Å; K388-P394 HydrophobicContact CG-CB 3.94Å; T391-P394 HydrophobicContact CG2-CB 3.87Å; L392-P394 VanDerWaalsContact C-CD 3.43Å; P394-F396 HydrophobicContact CB-CD2 4.46Å; P394-F396 HydrophobicContact CB-CE1 4.18Å; P394-F396 HydrophobicContact CB-CE2 3.75Å; P394-F396 HydrophobicContact CB-CZ 3.58Å; P394-F396 HydrophobicContact CG-CD2 4.49Å; P394-F396 HydrophobicContact CG-CE2 3.49Å; P394-F396 VanDerWaalsContact CG-CE2 3.49Å; P394-F396 HydrophobicContact CG-CZ 3.54Å
395V97.6Very high95Very high74 Ų7458.2 Ų58.245%0.44831%0.312SS..EExtended strand (participates in β ladder)trans-102.3118.2166-178.10000108.9K351 K388K351-V395 HydrophobicContact CB-CB 4.42Å; K351-V395 HydrophobicContact CB-CG2 4.1Å; K351-V395 HydrophobicContact CD-CG2 4.47Å; K388-V395 WeakPolarHBondContact CD-O 3.27Å; K388-V395 WeakPolarHBondContact CE-O 3.28Å; K388-V395 PolarHBondContact NZ-O 3.32Å
396F98.1Very high94.7Very high9 Ų960.2 Ų60.24%0.03933%0.325CS..EExtended strand (participates in β ladder)trans-92.2-63.9179.3-61.1-74.5000110.2V349 L350 A352 P367 V369 T385 K388 P394 E398V349-F396 HydrophobicContact CB-CB 4.35Å; V349-F396 HydrophobicContact CG1-CB 3.94Å; V349-F396 HydrophobicContact CG1-CD2 3.64Å; V349-F396 HydrophobicContact CG1-CE2 4.39Å; V349-F396 HydrophobicContact CG1-CG 3.91Å; V349-F396 WeakPolarHBondContact O-CB 2.95Å; L350-F396 WeakPolarHBondContact O-CA 3.2Å; L350-F396 PolarHBondContact O-N 2.62Å; A352-F396 HydrophobicContact CB-CE2 4.46Å; P367-F396 HydrophobicContact CB-CZ 4.46Å; V369-F396 HydrophobicContact CG2-CD2 4.18Å; V369-F396 HydrophobicContact CG2-CE1 4.34Å; V369-F396 HydrophobicContact CG2-CE2 3.65Å; V369-F396 HydrophobicContact CG2-CZ 3.75Å; T385-F396 HydrophobicContact CG2-CB 4.29Å; T385-F396 HydrophobicContact CG2-CD1 3.93Å; T385-F396 HydrophobicContact CG2-CG 4.16Å; T385-F396 WeakPolarHBondContact OG1-CD1 3.1Å; T385-F396 WeakPolarHBondContact OG1-CE1 3.26Å; K388-F396 HydrophobicContact CB-CE1 4.5Å; K388-F396 HydrophobicContact CD-CD1 4.39Å; K388-F396 HydrophobicContact CG-CD1 3.77Å; K388-F396 HydrophobicContact CG-CE1 3.57Å; K388-F396 HydrophobicContact CG-CZ 4.37Å; K388-F396 PolarHBondContact NZ-O 2.66Å; K388-F396 VanDerWaalsContact NZ-O 3.13Å; P394-F396 HydrophobicContact CB-CD2 4.46Å; P394-F396 HydrophobicContact CB-CE1 4.18Å; P394-F396 HydrophobicContact CB-CE2 3.75Å; P394-F396 HydrophobicContact CB-CZ 3.58Å; P394-F396 HydrophobicContact CG-CD2 4.49Å; P394-F396 HydrophobicContact CG-CE2 3.49Å; P394-F396 VanDerWaalsContact CG-CE2 3.49Å; P394-F396 HydrophobicContact CG-CZ 3.54Å; F396-E398 VanDerWaalsContact C-N 3.32Å
397N97.5Very high94.5Very high106 Ų10660.1 Ų60.157%0.56733%0.325SS*.EExtended strand (participates in β ladder)trans54.542.5-170.6-63.8-14.3000113V349 L350V349-N397 WeakPolarHBondContact O-CA 3.26Å; V349-N397 PolarHBondContact O-N 2.93Å; L350-N397 PolarHBondContact O-N 2.36Å; L350-N397 PolarHBondContact O-OD1 3.34Å
398E98.4Very high94.4Very high25 Ų2560.4 Ų60.412%0.11732%0.324CS..EExtended strand (participates in β ladder)trans-112.8124.8-173.2-70.8172.7-117.300110.9V348 V349 T385 H386 K388 F396 F400V348-E398 WeakPolarHBondContact CA-O 3.47Å; V349-E398 PolarHBondContact N-O 3.04Å; V349-E398 PolarHBondContact O-N 2.96Å; T385-E398 WeakPolarHBondContact CA-OE2 3.47Å; T385-E398 WeakPolarHBondContact CB-OE2 3.41Å; T385-E398 HydrophobicContact CG2-CB 4.24Å; H386-E398 IonicContact CE1-OE2 3.5Å; H386-E398 IonicContact CG-OE2 3.59Å; H386-E398 PolarHBondContact N-OE1 3.09Å; H386-E398 PolarHBondContact N-OE2 3Å; H386-E398 IonicContact ND1-OE1 3.76Å; H386-E398 IonicContact ND1-OE2 3.93Å; H386-E398 PolarHBondContact ND1-OE2 2.83Å; K388-E398 WeakPolarHBondContact CE-OE1 3.28Å; K388-E398 IonicContact NZ-OE1 3.42Å; K388-E398 PolarHBondContact NZ-OE1 3.43Å; F396-E398 VanDerWaalsContact C-N 3.32Å; E398-F400 HydrophobicContact CB-CZ 4.25Å
399S97.7Very high94.3Very high82 Ų8258.4 Ų58.457%0.57332%0.316SS*.EExtended strand (participates in β ladder)trans-102.8133.7-175.8580000112.6
400F98.1Very high94.4Very high23 Ų2353.9 Ų53.910%0.10130%0.304CS..EExtended strand (participates in β ladder)trans-123119.2178.1-56.8-62000109.3V347 V349 V371 K383 K384 T385 E398 Y402V347-F400 PolarHBondContact N-O 2.93Å; V347-F400 PolarHBondContact O-N 3.28Å; V349-F400 HydrophobicContact CG2-CD2 4.26Å; V349-F400 HydrophobicContact CG2-CE2 3.88Å; V371-F400 HydrophobicContact CB-CD2 4.24Å; V371-F400 HydrophobicContact CG2-CD2 3.76Å; V371-F400 HydrophobicContact CG2-CE2 3.74Å; K383-F400 HydrophobicContact CB-CD1 3.73Å; K383-F400 HydrophobicContact CB-CE1 3.96Å; K383-F400 HydrophobicContact CB-CG 4.18Å; K383-F400 HydrophobicContact CD-CB 4.05Å; K383-F400 HydrophobicContact CD-CD1 3.72Å; K383-F400 HydrophobicContact CD-CG 4.18Å; K383-F400 HydrophobicContact CG-CD1 4.31Å; K384-F400 WeakPolarHBondContact O-CZ 3.14Å; T385-F400 HydrophobicContact CG2-CE2 3.96Å; T385-F400 HydrophobicContact CG2-CZ 3.97Å; E398-F400 HydrophobicContact CB-CZ 4.25Å; F400-Y402 HydrophobicContact CB-CD2 4.49Å; F400-Y402 HydrophobicContact CB-CE2 3.57Å
401I97.7Very high94.8Very high59 Ų5953.9 Ų53.930%0.30330%0.299SS..EExtended strand (participates in β ladder)trans-98.5141.4174.9-57176.5000109R344 L345 K383R344-I401 HydrophobicContact CB-CG2 4.34Å; R344-I401 HydrophobicContact CG-CG2 4.18Å; L345-I401 WeakPolarHBondContact O-CA 3.05Å; K383-I401 PolarHBondContact NZ-O 2.73Å
402Y97.4Very high95.2Very high12 Ų1252.1 Ų52.15%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-135.5136.8176-55.5-90.9000109.1L345 V347 V371 V373 A381 K383 F400L345-Y402 PolarHBondContact N-O 3.36Å; L345-Y402 PolarHBondContact O-N 2.38Å; V347-Y402 HydrophobicContact CB-CE2 4.13Å; V347-Y402 HydrophobicContact CG2-CD2 4.01Å; V347-Y402 HydrophobicContact CG2-CE2 3.93Å; V371-Y402 HydrophobicContact CG1-CE2 4.42Å; V371-Y402 WeakPolarHBondContact CG1-OH 3.22Å; V371-Y402 PolarHBondContact O-OH 2.85Å; V373-Y402 HydrophobicContact CB-CD1 4.5Å; V373-Y402 HydrophobicContact CB-CE1 4.48Å; V373-Y402 HydrophobicContact CG2-CD1 3.74Å; V373-Y402 HydrophobicContact CG2-CD2 4Å; V373-Y402 HydrophobicContact CG2-CE1 3.52Å; V373-Y402 HydrophobicContact CG2-CE2 3.81Å; V373-Y402 HydrophobicContact CG2-CG 3.96Å; A381-Y402 HydrophobicContact CB-CD1 3.64Å; A381-Y402 HydrophobicContact CB-CE1 3.59Å; K383-Y402 HydrophobicContact CD-CE1 3.9Å; K383-Y402 HydrophobicContact CG-CE1 4.16Å; F400-Y402 HydrophobicContact CB-CD2 4.49Å; F400-Y402 HydrophobicContact CB-CE2 3.57Å
403D96.6Very high95.7Very high121 Ų12151.5 Ų51.565%0.64729%0.286SS*.EExtended strand (participates in β ladder)trans-91.7111.4-179.4-47.5-62.4000108.2H343H343-D403 CarbonylContact O-C 3.44Å; H343-D403 VanDerWaalsContact O-CA 3.3Å; H343-D403 WeakPolarHBondContact O-CA 3.25Å
404I95.6Very high95.9Very high6 Ų647.3 Ų47.33%0.03126%0.264CS..  trans-132108.8-169-58.9-64.8000107.7Y338 H343 L345 V373 I380 L409 V412Y338-I404 HydrophobicContact CE2-CB 4.24Å; Y338-I404 HydrophobicContact CE2-CG2 4.43Å; Y338-I404 WeakPolarHBondContact CE2-O 3.28Å; Y338-I404 PolarHBondContact OH-O 3.23Å; H343-I404 CarbonylContact C-O 3.5Å; H343-I404 CarbonylContact O-C 3.57Å; H343-I404 PolarHBondContact O-N 3.21Å; L345-I404 HydrophobicContact CB-CB 4.41Å; L345-I404 HydrophobicContact CB-CG1 3.94Å; L345-I404 HydrophobicContact CD2-CG1 4.34Å; V373-I404 HydrophobicContact CG1-CD1 4.47Å; I380-I404 HydrophobicContact CD1-CD1 3.76Å; I404-L409 HydrophobicContact CG2-CD1 4.15Å; I404-V412 HydrophobicContact CD1-CG2 4.25Å; I404-V412 HydrophobicContact CG2-CG2 3.99Å
405P95.1Very high96Very high43 Ų4347.9 Ų47.928%0.27927%0.267SS..  trans-60.3145.5173.7-22.733.5000112.5E407 L408 L409P405-E407 WeakPolarHBondContact CB-OE2 3.45Å; P405-E407 PolarHBondContact O-N 2.84Å; P405-E407 VanDerWaalsContact O-N 3.14Å; P405-L408 HydrophobicContact CB-CG 4.38Å; P405-L408 HydrophobicContact CG-CD1 4.29Å; P405-L408 HydrophobicContact CG-CG 4.49Å; P405-L408 PolarHBondContact O-N 2.9Å; P405-L409 PolarHBondContact O-N 2.89Å
406P93.2Very high96Very high46 Ų4644.4 Ų44.430%0.29925%0.245SC..G310 helixtrans-54.8-33.3-177.2-26.734.5000113.9Y338 P340 L408 L409Y338-P406 WeakPolarHBondContact OH-CA 3.3Å; Y338-P406 WeakPolarHBondContact OH-CD 2.92Å; Y338-P406 VanDerWaalsContact OH-N 3.16Å; P340-P406 HydrophobicContact CB-CG 4.45Å; P406-L408 VanDerWaalsContact C-N 3.27Å; P406-L408 PolarHBondContact O-N 2.79Å; P406-L409 WeakPolarHBondContact O-CB 3.05Å; P406-L409 PolarHBondContact O-N 3.35Å
407E92.8Very high96Very high136 Ų13644.5 Ų44.564%0.63625%0.246SC*.G310 helixtrans-66.9-28.9-177.8-51.371.4-152.800111.9P405P405-E407 WeakPolarHBondContact CB-OE2 3.45Å; P405-E407 PolarHBondContact O-N 2.84Å; P405-E407 VanDerWaalsContact O-N 3.14Å
408L92.8Very high95.9Very high62 Ų6239.5 Ų39.533%0.32522%0.219SC..G310 helixtrans-92.7-14.8-178.5-51.4-169.9000112.7Y375 P405 P406 D411 V412Y375-L408 HydrophobicContact CD2-CB 4.04Å; Y375-L408 HydrophobicContact CE2-CB 3.87Å; Y375-L408 HydrophobicContact CE2-CD1 4.48Å; Y375-L408 HydrophobicContact CE2-CD2 3.75Å; Y375-L408 HydrophobicContact CE2-CG 4.22Å; P405-L408 HydrophobicContact CB-CG 4.38Å; P405-L408 HydrophobicContact CG-CD1 4.29Å; P405-L408 HydrophobicContact CG-CG 4.49Å; P405-L408 PolarHBondContact O-N 2.9Å; P406-L408 VanDerWaalsContact C-N 3.27Å; P406-L408 PolarHBondContact O-N 2.79Å; L408-D411 PolarHBondContact O-N 3.21Å; L408-V412 WeakPolarHBondContact O-CG2 3.36Å; L408-V412 PolarHBondContact O-N 2.63Å
409L92.9Very high95.7Very high16 Ų1638.3 Ų38.38%0.08421%0.214CC..G310 helixtrans-56.4-38-174.7-170.971.9000114.5Y338 I404 P405 P406 D411 V412 W448 C452Y338-L409 HydrophobicContact CD1-CD1 4.42Å; Y338-L409 HydrophobicContact CD1-CD2 3.5Å; Y338-L409 VanDerWaalsContact CD1-CD2 3.5Å; Y338-L409 HydrophobicContact CD2-CD1 3.85Å; Y338-L409 HydrophobicContact CD2-CD2 4.42Å; Y338-L409 HydrophobicContact CE1-CD2 3.71Å; Y338-L409 HydrophobicContact CE2-CD1 4.06Å; Y338-L409 HydrophobicContact CG-CD1 4.05Å; Y338-L409 HydrophobicContact CG-CD2 3.89Å; I404-L409 HydrophobicContact CG2-CD1 4.15Å; P405-L409 PolarHBondContact O-N 2.89Å; P406-L409 WeakPolarHBondContact O-CB 3.05Å; P406-L409 PolarHBondContact O-N 3.35Å; L409-D411 VanDerWaalsContact C-N 3.31Å; L409-D411 PolarHBondContact O-N 2.96Å; L409-V412 PolarHBondContact O-N 3.21Å; L409-W448 HydrophobicContact CD1-CH2 4.14Å; L409-W448 HydrophobicContact CD1-CZ2 3.95Å; L409-W448 HydrophobicContact CG-CZ2 4.42Å; L409-C452 HydrophobicContact CD2-CB 4.5Å
410P92Very high95.3Very high72 Ų7234.9 Ų34.947%0.46819%0.189SC..G310 helixtrans-60.2-38.4178.6-25.136.1000113.7
411D93.8Very high94.9Very high78 Ų7837.6 Ų37.642%0.41720%0.201SC..G310 helixtrans-90.3-0.7-177.9-69.9-51.9000113.8Y375 G376 L408 L409Y375-D411 HydrophobicContact CD2-CB 3.85Å; Y375-D411 HydrophobicContact CE2-CB 3.66Å; G376-D411 PolarHBondContact N-O 3Å; L408-D411 PolarHBondContact O-N 3.21Å; L409-D411 VanDerWaalsContact C-N 3.31Å; L409-D411 PolarHBondContact O-N 2.96Å
412V96.9Very high94Very high2 Ų237.3 Ų37.31%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-80.8141.6176.3165.30000110.9L345 V373 F374 Y375 I404 L408 L409 W448L345-V412 HydrophobicContact CD2-CG1 4.36Å; V373-V412 HydrophobicContact CG1-CG1 3.88Å; F374-V412 VanDerWaalsContact O-CA 3.29Å; F374-V412 WeakPolarHBondContact O-CA 3.36Å; Y375-V412 HydrophobicContact CD2-CG2 4.39Å; I404-V412 HydrophobicContact CD1-CG2 4.25Å; I404-V412 HydrophobicContact CG2-CG2 3.99Å; L408-V412 WeakPolarHBondContact O-CG2 3.36Å; L408-V412 PolarHBondContact O-N 2.63Å; L409-V412 PolarHBondContact O-N 3.21Å; V412-W448 HydrophobicContact CB-CH2 4.33Å; V412-W448 HydrophobicContact CB-CZ2 4.06Å; V412-W448 HydrophobicContact CG1-CH2 3.71Å; V412-W448 HydrophobicContact CG1-CZ2 3.95Å; V412-W448 VanDerWaalsContact O-CZ2 3.31Å; V412-W448 WeakPolarHBondContact O-CZ2 3.4Å
413S97.1Very high92.9Very high21 Ų2147.8 Ų47.815%0.14724%0.24CC..EExtended strand (participates in β ladder)trans-138.5149.1167.258.20000111.9V373 F374 L435V373-S413 WeakPolarHBondContact CA-O 3.37Å; F374-S413 PolarHBondContact N-O 2.87Å; F374-S413 PolarHBondContact O-N 2.87Å; S413-L435 CarbonylContact C-O 3.57Å; S413-L435 VanDerWaalsContact CA-O 3.25Å; S413-L435 WeakPolarHBondContact CA-O 3.18Å; S413-L435 WeakPolarHBondContact CB-O 3.19Å
414V97.9Very high91.5Very high0 Ų048 Ų480%025%0.246CC..EExtended strand (participates in β ladder)trans-117.7114.2-177.7-1740000108.9L345 V347 V371 V373 F416 L435 W448L345-V414 HydrophobicContact CD2-CG2 3.96Å; V347-V414 HydrophobicContact CG1-CG1 4.09Å; V347-V414 HydrophobicContact CG2-CG1 4.34Å; V347-V414 HydrophobicContact CG2-CG2 4.4Å; V371-V414 HydrophobicContact CG1-CG1 3.72Å; V373-V414 HydrophobicContact CG2-CG2 4.4Å; V414-F416 HydrophobicContact CB-CE2 4.21Å; V414-F416 HydrophobicContact CG1-CD2 4.36Å; V414-F416 HydrophobicContact CG1-CE1 4.39Å; V414-F416 HydrophobicContact CG1-CE2 3.63Å; V414-F416 HydrophobicContact CG1-CZ 3.66Å; V414-L435 PolarHBondContact N-O 3.39Å; V414-L435 PolarHBondContact O-N 3.09Å; V414-W448 HydrophobicContact CG2-CH2 4.27Å; V414-W448 HydrophobicContact CG2-CZ3 3.84Å
415E97.3Very high90.4Very high13 Ų1352.5 Ų52.56%0.06127%0.273CS..EExtended strand (participates in β ladder)trans-101.2129177.3179.4-171.2-109.200110.3V371 N372 F374 L417 R432 L433 L434V371-E415 CarbonylContact C-O 3.54Å; V371-E415 WeakPolarHBondContact CA-O 3.37Å; N372-E415 HydrophobicContact CB-CB 4.25Å; N372-E415 PolarHBondContact N-O 2.85Å; N372-E415 PolarHBondContact ND2-OE2 2.89Å; N372-E415 PolarHBondContact O-N 3.13Å; F374-E415 HydrophobicContact CD2-CB 4.4Å; F374-E415 HydrophobicContact CE2-CB 3.89Å; E415-L417 HydrophobicContact CG-CD2 3.77Å; E415-L417 HydrophobicContact CG-CG 4.13Å; E415-R432 HydrophobicContact CG-CG 4.49Å; E415-R432 IonicContact OE1-CZ 3.99Å; E415-R432 IonicContact OE1-NE 2.78Å; E415-R432 PolarHBondContact OE1-NE 3.2Å; E415-R432 IonicContact OE1-NH2 2.94Å; E415-R432 PolarHBondContact OE1-NH2 2.94Å; E415-L433 CarbonylContact C-O 3.56Å; E415-L433 WeakPolarHBondContact CA-O 3.49Å; E415-L434 HydrophobicContact CB-CD1 3.83Å
416F97.9Very high89.6Confident0 Ų059.2 Ų59.20%030%0.298CS..EExtended strand (participates in β ladder)trans-108.2119.2171.9-52.6-102.7000108.1L332 A334 L336 V347 V349 V369 K370 V371 V414 R432 L433 L435L332-F416 HydrophobicContact CD2-CB 3.66Å; L332-F416 HydrophobicContact CD2-CD1 4.05Å; L332-F416 HydrophobicContact CD2-CG 3.93Å; A334-F416 HydrophobicContact CB-CE1 4.17Å; A334-F416 HydrophobicContact CB-CE2 4.42Å; A334-F416 HydrophobicContact CB-CZ 3.97Å; L336-F416 HydrophobicContact CD1-CZ 4.1Å; V347-F416 HydrophobicContact CG1-CE1 3.58Å; V347-F416 HydrophobicContact CG1-CZ 3.5Å; V347-F416 VanDerWaalsContact CG1-CZ 3.5Å; V349-F416 HydrophobicContact CG2-CD1 4.03Å; V349-F416 HydrophobicContact CG2-CE1 3.98Å; V369-F416 HydrophobicContact CG1-CB 3.86Å; V369-F416 HydrophobicContact CG1-CD1 4.13Å; K370-F416 WeakPolarHBondContact O-CA 3.46Å; V371-F416 HydrophobicContact CG1-CD1 4.48Å; V371-F416 HydrophobicContact CG1-CE1 4.28Å; V371-F416 HydrophobicContact CG2-CD1 3.88Å; V371-F416 HydrophobicContact CG2-CE1 4.13Å; V414-F416 HydrophobicContact CB-CE2 4.21Å; V414-F416 HydrophobicContact CG1-CD2 4.36Å; V414-F416 HydrophobicContact CG1-CE1 4.39Å; V414-F416 HydrophobicContact CG1-CE2 3.63Å; V414-F416 HydrophobicContact CG1-CZ 3.66Å; F416-R432 CarbonylContact O-C 3.54Å; F416-R432 WeakPolarHBondContact O-CA 3.44Å; F416-L433 HydrophobicContact CB-CB 4.24Å; F416-L433 HydrophobicContact CD2-CB 4.34Å; F416-L433 HydrophobicContact CD2-CD2 3.9Å; F416-L433 HydrophobicContact CD2-CG 4.05Å; F416-L433 HydrophobicContact CE2-CD2 4.37Å; F416-L433 HydrophobicContact CG-CD2 4.46Å; F416-L433 PolarHBondContact N-O 3.43Å; F416-L433 PolarHBondContact O-N 3.45Å; F416-L435 HydrophobicContact CE2-CD1 3.74Å; F416-L435 HydrophobicContact CE2-CG 3.95Å; F416-L435 HydrophobicContact CZ-CD1 4.28Å
417L96.7Very high89.2Confident12 Ų1259.8 Ų59.86%0.06330%0.299CS..EExtended strand (participates in β ladder)trans-106.3110.7169.9-54-178.6000107.8V369 K370 E415 V419 R432 F468V369-L417 CarbonylContact C-O 3.5Å; V369-L417 WeakPolarHBondContact CA-O 3.36Å; K370-L417 HydrophobicContact CB-CB 4.29Å; K370-L417 PolarHBondContact N-O 2.74Å; K370-L417 PolarHBondContact O-N 2.84Å; E415-L417 HydrophobicContact CG-CD2 3.77Å; E415-L417 HydrophobicContact CG-CG 4.13Å; L417-V419 HydrophobicContact CB-CG2 4.03Å; L417-R432 HydrophobicContact CD2-CB 4.02Å; L417-R432 HydrophobicContact CD2-CG 3.76Å; L417-F468 HydrophobicContact CD1-CD2 4.15Å; L417-F468 HydrophobicContact CD1-CE2 3.67Å; L417-F468 HydrophobicContact CD1-CZ 4.48Å; L417-F468 HydrophobicContact CD2-CD2 3.47Å; L417-F468 VanDerWaalsContact CD2-CD2 3.47Å; L417-F468 HydrophobicContact CD2-CE2 3.74Å; L417-F468 HydrophobicContact CG-CD2 4.45Å; L417-F468 HydrophobicContact CG-CE2 4.37Å
418V95.8Very high88.9Confident0 Ų058.2 Ų58.20%029%0.291CS..EExtended strand (participates in β ladder)trans-79.4127.5168.3-168.40000107L332 L355 P367 V369 V429 L430 G431 L465L332-V418 HydrophobicContact CD2-CG2 4.25Å; L355-V418 HydrophobicContact CD1-CG1 4.13Å; L355-V418 HydrophobicContact CD2-CG1 3.96Å; P367-V418 HydrophobicContact CB-CG1 4.36Å; V369-V418 HydrophobicContact CG2-CG2 4.14Å; V418-V429 CarbonylContact O-C 3.46Å; V418-L430 HydrophobicContact CB-CB 4.26Å; V418-L430 HydrophobicContact CG1-CB 4.08Å; V418-L430 HydrophobicContact CG1-CD1 4.04Å; V418-L430 PolarHBondContact O-N 3.09Å; V418-G431 PolarHBondContact N-O 3.14Å; V418-G431 PolarHBondContact O-N 2.82Å; V418-G431 VanDerWaalsContact O-N 3.16Å; V418-L465 HydrophobicContact CB-CD1 4.23Å; V418-L465 HydrophobicContact CG2-CD1 3.68Å; V418-L465 HydrophobicContact CG2-CD2 3.77Å; V418-L465 HydrophobicContact CG2-CG 4.41Å
419V93.8Very high88.7Confident0 Ų056.9 Ų56.90%029%0.286CS..EExtended strand (participates in β ladder)trans-137.8134.9-167.5179.70000108.2P367 Y368 K370 L417 N427 E428 V429P367-V419 WeakPolarHBondContact CA-O 3.12Å; Y368-V419 HydrophobicContact CD1-CB 4.23Å; Y368-V419 HydrophobicContact CD1-CG1 4.44Å; Y368-V419 WeakPolarHBondContact CD1-O 3.45Å; Y368-V419 HydrophobicContact CE1-CB 3.8Å; Y368-V419 HydrophobicContact CE1-CG1 3.58Å; Y368-V419 HydrophobicContact CE2-CB 4.47Å; Y368-V419 PolarHBondContact N-O 2.96Å; Y368-V419 PolarHBondContact O-N 2.83Å; K370-V419 HydrophobicContact CD-CG2 3.96Å; K370-V419 HydrophobicContact CG-CG2 4.44Å; L417-V419 HydrophobicContact CB-CG2 4.03Å; V419-N427 HydrophobicContact CG1-CB 4.1Å; V419-E428 CarbonylContact C-O 3.34Å; V419-E428 WeakPolarHBondContact CA-O 3.49Å; V419-E428 VanDerWaalsContact CG1-O 3.3Å; V419-E428 WeakPolarHBondContact CG1-O 3.48Å; V419-V429 HydrophobicContact CG2-CG2 4.36Å
420D90.8Very high88.5Confident11 Ų1156.1 Ų56.16%0.05928%0.282CS..EExtended strand (participates in β ladder)trans-78.5140.2171.8-151.8-20.1000110.4M358 A365 N366 N427 E428 L430M358-D420 HydrophobicContact CE-CB 3.75Å; A365-D420 WeakPolarHBondContact CA-OD2 3.3Å; A365-D420 WeakPolarHBondContact CB-OD2 3.12Å; N366-D420 WeakPolarHBondContact CA-OD1 3.25Å; N366-D420 PolarHBondContact N-OD1 3.29Å; D420-N427 WeakPolarHBondContact O-CA 3.35Å; D420-N427 WeakPolarHBondContact O-CB 3.42Å; D420-N427 PolarHBondContact O-OD1 3.14Å; D420-E428 PolarHBondContact N-O 3.32Å; D420-L430 HydrophobicContact CB-CD1 3.93Å; D420-L430 HydrophobicContact CB-CD2 4.32Å; D420-L430 HydrophobicContact CB-CG 3.97Å
421F88Confident88.5Confident80 Ų8052.7 Ų52.735%0.35126%0.26SS..  trans-101.3105.2175.2-177.3-98.8000111.1N366 Y368 V387 R423 N427N366-F421 HydrophobicContact CB-CB 4.11Å; N366-F421 WeakPolarHBondContact CB-O 3.07Å; N366-F421 PolarHBondContact ND2-O 2.87Å; N366-F421 WeakPolarHBondContact O-CB 3.47Å; N366-F421 PolarHBondContact O-N 3.17Å; Y368-F421 HydrophobicContact CD1-CB 3.91Å; Y368-F421 HydrophobicContact CE1-CB 3.87Å; Y368-F421 HydrophobicContact CE1-CD2 4.3Å; V387-F421 HydrophobicContact CG1-CB 3.82Å; V387-F421 HydrophobicContact CG1-CD1 4.27Å; V387-F421 HydrophobicContact CG1-CG 4.25Å; V387-F421 HydrophobicContact CG2-CB 3.98Å; V387-F421 HydrophobicContact CG2-CD1 4.5Å; V387-F421 HydrophobicContact CG2-CD2 4.44Å; V387-F421 HydrophobicContact CG2-CG 4.03Å; F421-R423 HydrophobicContact CE1-CB 4.4Å; F421-N427 VanDerWaalsContact CA-OD1 3.32Å; F421-N427 WeakPolarHBondContact CA-OD1 3.48Å; F421-N427 WeakPolarHBondContact CD2-OD1 3.36Å
422D80.6Confident88.5Confident52 Ų5251.5 Ų51.528%0.27825%0.249SC..  trans-100.4138.8168.3-163.5-17.7000110T424 T425 N427D422-T424 PolarHBondContact OD1-N 3.15Å; D422-T424 PolarHBondContact OD1-OG1 2.82Å; D422-T424 VanDerWaalsContact OD1-OG1 3.06Å; D422-T425 PolarHBondContact OD1-N 3.02Å; D422-T425 WeakPolarHBondContact OD2-CB 3.34Å; D422-T425 VanDerWaalsContact OD2-CG2 3.26Å; D422-T425 WeakPolarHBondContact OD2-CG2 3.47Å; D422-T425 PolarHBondContact OD2-N 2.79Å; D422-T425 VanDerWaalsContact OD2-N 3.16Å; D422-T425 PolarHBondContact OD2-OG1 3.22Å; D422-N427 PolarHBondContact N-OD1 3.03Å; D422-N427 PolarHBondContact O-OD1 3.32Å
423R72.7Confident88.4Confident232 Ų23251.5 Ų51.588%0.87525%0.249SC*.SBendtrans-88.3-23.3174.9-176.9178.4173.7108.80.3112F421F421-R423 HydrophobicContact CE1-CB 4.4Å
424T68.1Low88.3Confident126 Ų12651.5 Ų51.577%0.77325%0.247SC*.SBendtrans-111.9-36-17458.50000113.3D422D422-T424 PolarHBondContact OD1-N 3.15Å; D422-T424 PolarHBondContact OD1-OG1 2.82Å; D422-T424 VanDerWaalsContact OD1-OG1 3.06Å
425T72.5Confident88.3Confident100 Ų10051.5 Ų51.561%0.61325%0.247SC*.SBendtrans-105.6-160173.688.90000112.6D422D422-T425 PolarHBondContact OD1-N 3.02Å; D422-T425 WeakPolarHBondContact OD2-CB 3.34Å; D422-T425 VanDerWaalsContact OD2-CG2 3.26Å; D422-T425 WeakPolarHBondContact OD2-CG2 3.47Å; D422-T425 PolarHBondContact OD2-N 2.79Å; D422-T425 VanDerWaalsContact OD2-N 3.16Å; D422-T425 PolarHBondContact OD2-OG1 3.22Å
426K77.6Confident88.1Confident184 Ų18450.9 Ų50.980%0.824%0.244SC*.  trans-98116.8-175.2177.2-166.3171.4-168.20109.9E428K426-E428 PolarHBondContact O-N 3.44Å; K426-E428 VanDerWaalsContact O-N 3.1Å
427N84.6Confident87.7Confident58 Ų5855.7 Ų55.731%0.3127%0.27SS..  trans-36.7113.8168.9-63.2-40.9000113.1V419 D420 F421 D422V419-N427 HydrophobicContact CG1-CB 4.1Å; D420-N427 WeakPolarHBondContact O-CA 3.35Å; D420-N427 WeakPolarHBondContact O-CB 3.42Å; D420-N427 PolarHBondContact O-OD1 3.14Å; F421-N427 VanDerWaalsContact CA-OD1 3.32Å; F421-N427 WeakPolarHBondContact CA-OD1 3.48Å; F421-N427 WeakPolarHBondContact CD2-OD1 3.36Å; D422-N427 PolarHBondContact N-OD1 3.03Å; D422-N427 PolarHBondContact O-OD1 3.32Å
428E86.5Confident87.1Confident104 Ų10462.6 Ų62.649%0.48630%0.301SS..  trans-100.5149.4-178.5175.9167.7-167.800111.3M358 V419 D420 K426 L430M358-E428 HydrophobicContact CE-CB 3.57Å; M358-E428 HydrophobicContact CE-CG 3.54Å; M358-E428 HydrophobicContact SD-CG 4.09Å; V419-E428 CarbonylContact C-O 3.34Å; V419-E428 WeakPolarHBondContact CA-O 3.49Å; V419-E428 VanDerWaalsContact CG1-O 3.3Å; V419-E428 WeakPolarHBondContact CG1-O 3.48Å; D420-E428 PolarHBondContact N-O 3.32Å; K426-E428 PolarHBondContact O-N 3.44Å; K426-E428 VanDerWaalsContact O-N 3.1Å; E428-L430 PolarHBondContact O-N 2.85Å
429V90.3Very high86.7Confident34 Ų3463.4 Ų63.421%0.20631%0.307CS..EExtended strand (participates in β ladder)trans-84.3108.3179.7-175.10000108.8R329 V418 V419 G431 F468R329-V429 PolarHBondContact NH2-O 3.25Å; V418-V429 CarbonylContact O-C 3.46Å; V419-V429 HydrophobicContact CG2-CG2 4.36Å; V429-G431 VanDerWaalsContact C-N 3.32Å; V429-G431 PolarHBondContact O-N 3.07Å; V429-F468 HydrophobicContact CB-CB 4.3Å; V429-F468 HydrophobicContact CB-CG 4.45Å; V429-F468 HydrophobicContact CG1-CB 3.79Å; V429-F468 HydrophobicContact CG1-CD2 4.37Å; V429-F468 HydrophobicContact CG1-CG 4.06Å; V429-F468 HydrophobicContact CG2-CD1 4.32Å; V429-F468 HydrophobicContact CG2-CG 4.35Å
430L88.6Confident86.1Confident0 Ų067.8 Ų67.80%034%0.335CS..EExtended strand (participates in β ladder)trans-63.2-38.3176.3-72.7162.9000111.2R329 L355 P356 M358 P367 V418 D420 E428R329-L430 WeakPolarHBondContact CB-O 3.43Å; R329-L430 PolarHBondContact NE-O 2.91Å; R329-L430 PolarHBondContact NH2-O 2.79Å; R329-L430 VanDerWaalsContact NH2-O 3.08Å; L355-L430 HydrophobicContact CD1-CD1 4.39Å; P356-L430 HydrophobicContact CG-CD2 3.84Å; M358-L430 HydrophobicContact CE-CD2 3.59Å; M358-L430 HydrophobicContact CE-CG 4.13Å; M358-L430 HydrophobicContact SD-CD2 3.57Å; M358-L430 VanDerWaalsContact SD-CD2 3.57Å; M358-L430 HydrophobicContact SD-CG 4.49Å; P367-L430 HydrophobicContact CB-CD1 3.87Å; V418-L430 HydrophobicContact CB-CB 4.26Å; V418-L430 HydrophobicContact CG1-CB 4.08Å; V418-L430 HydrophobicContact CG1-CD1 4.04Å; V418-L430 PolarHBondContact O-N 3.09Å; D420-L430 HydrophobicContact CB-CD1 3.93Å; D420-L430 HydrophobicContact CB-CD2 4.32Å; D420-L430 HydrophobicContact CB-CG 3.97Å; E428-L430 PolarHBondContact O-N 2.85Å
431G91.2Very high85.5Confident0 Ų069 Ų690%034%0.344CS..EExtended strand (participates in β ladder)trans176171.8173.900000113.9V418 V429 S466V418-G431 PolarHBondContact N-O 3.14Å; V418-G431 PolarHBondContact O-N 2.82Å; V418-G431 VanDerWaalsContact O-N 3.16Å; V429-G431 VanDerWaalsContact C-N 3.32Å; V429-G431 PolarHBondContact O-N 3.07Å; G431-S466 CarbonylContact C-O 3.56Å; G431-S466 WeakPolarHBondContact CA-O 3.02Å
432R93.4Very high85.3Confident52 Ų5270.2 Ų70.220%0.19636%0.36CS..EExtended strand (participates in β ladder)trans-122.6147.4-173.9178.9175.3-166.5-104.5-0.8112.3E415 F416 L417 L465 S466 D467 F468E415-R432 HydrophobicContact CG-CG 4.49Å; E415-R432 IonicContact OE1-CZ 3.99Å; E415-R432 IonicContact OE1-NE 2.78Å; E415-R432 PolarHBondContact OE1-NE 3.2Å; E415-R432 IonicContact OE1-NH2 2.94Å; E415-R432 PolarHBondContact OE1-NH2 2.94Å; F416-R432 CarbonylContact O-C 3.54Å; F416-R432 WeakPolarHBondContact O-CA 3.44Å; L417-R432 HydrophobicContact CD2-CB 4.02Å; L417-R432 HydrophobicContact CD2-CG 3.76Å; R432-L465 CarbonylContact O-C 3.55Å; R432-L465 WeakPolarHBondContact O-CA 3.34Å; R432-S466 PolarHBondContact N-O 3.33Å; R432-S466 PolarHBondContact O-N 3.27Å; R432-S466 PolarHBondContact O-OG 3.23Å; R432-D467 WeakPolarHBondContact CB-O 3.43Å; R432-F468 HydrophobicContact CB-CB 4.41Å
433L94.9Very high85.7Confident2 Ų270.5 Ų70.51%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-136139164.816965.6000108.8L332 A334 E415 F416 L435 H463 L465L332-L433 HydrophobicContact CD2-CD2 4.2Å; A334-L433 HydrophobicContact CB-CD2 4.45Å; E415-L433 CarbonylContact C-O 3.56Å; E415-L433 WeakPolarHBondContact CA-O 3.49Å; F416-L433 HydrophobicContact CB-CB 4.24Å; F416-L433 HydrophobicContact CD2-CB 4.34Å; F416-L433 HydrophobicContact CD2-CD2 3.9Å; F416-L433 HydrophobicContact CD2-CG 4.05Å; F416-L433 HydrophobicContact CE2-CD2 4.37Å; F416-L433 HydrophobicContact CG-CD2 4.46Å; F416-L433 PolarHBondContact N-O 3.43Å; F416-L433 PolarHBondContact O-N 3.45Å; L433-L435 HydrophobicContact CD1-CD2 3.95Å; L433-L435 HydrophobicContact CD2-CD2 4.31Å; L433-L435 HydrophobicContact CD2-CG 4.44Å; L433-L435 HydrophobicContact CG-CD2 4.2Å; L433-L435 HydrophobicContact CG-CG 4.38Å; L433-H463 HydrophobicContact CD1-CB 3.54Å; L433-H463 HydrophobicContact CD2-CB 3.89Å; L433-H463 HydrophobicContact CG-CB 4.33Å; L433-L465 HydrophobicContact CB-CD2 4.06Å
434L95.6Very high86.6Confident21 Ų2159.4 Ų59.411%0.1132%0.324CS..EExtended strand (participates in β ladder)trans-124.1125.7171.3-17567.8000109.8E415 S439E415-L434 HydrophobicContact CB-CD1 3.83Å; L434-S439 WeakPolarHBondContact O-CB 3.29Å; L434-S439 PolarHBondContact O-OG 3.48Å
435L96.7Very high87.8Confident0 Ų054.4 Ų54.40%030%0.295CS..EExtended strand (participates in β ladder)trans-109.2130.6169.5-54.9-176.8000108.2L336 S413 V414 F416 L433 G444 H447 W448L336-L435 HydrophobicContact CD1-CD1 3.59Å; L336-L435 HydrophobicContact CD2-CD1 3.85Å; L336-L435 HydrophobicContact CG-CD1 4.41Å; S413-L435 CarbonylContact C-O 3.57Å; S413-L435 VanDerWaalsContact CA-O 3.25Å; S413-L435 WeakPolarHBondContact CA-O 3.18Å; S413-L435 WeakPolarHBondContact CB-O 3.19Å; V414-L435 PolarHBondContact N-O 3.39Å; V414-L435 PolarHBondContact O-N 3.09Å; F416-L435 HydrophobicContact CE2-CD1 3.74Å; F416-L435 HydrophobicContact CE2-CG 3.95Å; F416-L435 HydrophobicContact CZ-CD1 4.28Å; L433-L435 HydrophobicContact CD1-CD2 3.95Å; L433-L435 HydrophobicContact CD2-CD2 4.31Å; L433-L435 HydrophobicContact CD2-CG 4.44Å; L433-L435 HydrophobicContact CG-CD2 4.2Å; L433-L435 HydrophobicContact CG-CG 4.38Å; L435-G444 VanDerWaalsContact CD2-CA 3.5Å; L435-H447 HydrophobicContact CD2-CB 4.29Å; L435-W448 HydrophobicContact CB-CE3 4.23Å
436G94.4Very high88.8Confident0 Ų052 Ų520%028%0.283CS..EExtended strand (participates in β ladder)trans161.1168.4-173.100000110.8H438 S439G436-H438 VanDerWaalsContact C-N 3.27Å; G436-H438 PolarHBondContact O-N 3.46Å; G436-S439 PolarHBondContact O-N 3.5Å
437L89.1Confident89.7Confident102 Ų10243.3 Ų43.353%0.53425%0.245SC..THydrogen-bonded Turntrans-56-42.2178.6-177.761.5000112.2
438H84.2Confident90.3Very high157 Ų15740.9 Ų40.973%0.72723%0.232SC*.THydrogen-bonded Turntrans-99.540.3178.8-53.1-59.8000112.8G436G436-H438 VanDerWaalsContact C-N 3.27Å; G436-H438 PolarHBondContact O-N 3.46Å
439S87.1Confident90.7Very high16 Ų1642.9 Ų42.911%0.11224%0.235CC..  trans-66.1131.7170.7-176.80000110.5L434 G436 C441L434-S439 WeakPolarHBondContact O-CB 3.29Å; L434-S439 PolarHBondContact O-OG 3.48Å; G436-S439 PolarHBondContact O-N 3.5Å; S439-C441 PolarHBondContact O-N 3.48Å; S439-C441 PolarHBondContact OG-N 2.92Å; S439-C441 PolarHBondContact OG-O 3.48Å
440P80.3Confident91Very high92 Ų9243.4 Ų43.460%0.59724%0.235SC*.SBendtrans-69.4-10.8174.831.1-36.9000112.8
441C79.5Confident91.4Very high37 Ų3743.5 Ų43.525%0.2524%0.235CC..SBendtrans-108.3120.9177.3-58.90000109.3S439 S443 G444 A445S439-C441 PolarHBondContact O-N 3.48Å; S439-C441 PolarHBondContact OG-N 2.92Å; S439-C441 PolarHBondContact OG-O 3.48Å; C441-S443 PolarHBondContact O-N 2.82Å; C441-S443 VanDerWaalsContact O-N 3.09Å; C441-G444 WeakPolarHBondContact O-CA 3.28Å; C441-G444 PolarHBondContact O-N 3.04Å; C441-A445 PolarHBondContact O-N 3.35Å
442P83.6Confident91.6Very high105 Ų10545.9 Ų45.968%0.68225%0.252SS*.Hα-helixtrans-54.7-32.7-179.9-29.736.1000114.3G444 A445 S446P442-G444 VanDerWaalsContact C-N 3.34Å; P442-G444 PolarHBondContact O-N 3.21Å; P442-A445 PolarHBondContact O-N 3.38Å; P442-S446 WeakPolarHBondContact O-CB 3.34Å; P442-S446 PolarHBondContact O-N 3.09Å
443S88.9Confident91.6Very high58 Ų5849.4 Ų49.441%0.40627%0.27SS..Hα-helixtrans-64.4-36.1174.163.30000112.9C441 H447 H463C441-S443 PolarHBondContact O-N 2.82Å; C441-S443 VanDerWaalsContact O-N 3.09Å; S443-H447 WeakPolarHBondContact O-CB 3.49Å; S443-H447 PolarHBondContact O-N 3.41Å; S443-H463 WeakPolarHBondContact CB-CE1 3.42Å; S443-H463 PolarHBondContact O-NE2 3.21Å; S443-H463 PolarHBondContact OG-CE1 2.92Å; S443-H463 PolarHBondContact OG-ND1 3.27Å
444G91.6Very high91.7Very high0 Ų051.5 Ų51.50%028%0.281CS..Hα-helixtrans-71.2-40.5177.700000112.7L435 C441 P442 H447 W448 H463L435-G444 VanDerWaalsContact CD2-CA 3.5Å; C441-G444 WeakPolarHBondContact O-CA 3.28Å; C441-G444 PolarHBondContact O-N 3.04Å; P442-G444 VanDerWaalsContact C-N 3.34Å; P442-G444 PolarHBondContact O-N 3.21Å; G444-H447 PolarHBondContact O-N 3.45Å; G444-W448 PolarHBondContact O-N 3.38Å; G444-H463 WeakPolarHBondContact CA-NE2 3.46Å; G444-H463 PolarHBondContact N-CE1 3.19Å; G444-H463 VanDerWaalsContact N-CE1 3.28Å; G444-H463 PolarHBondContact N-NE2 2.95Å
445A92.4Very high91.5Very high20 Ų2052.8 Ų52.817%0.16529%0.291CS..Hα-helixtrans-65.2-43172.200000111.7C441 P442 W448 R449C441-A445 PolarHBondContact O-N 3.35Å; P442-A445 PolarHBondContact O-N 3.38Å; A445-W448 PolarHBondContact O-N 3.05Å; A445-R449 WeakPolarHBondContact O-CB 3.35Å; A445-R449 PolarHBondContact O-N 2.76Å
446S94.8Very high91.4Very high51 Ų5161 Ų6136%0.35732%0.322SS..Hα-helixtrans-60.7-43.1174.8168.30000112.6P442 R449 E450P442-S446 WeakPolarHBondContact O-CB 3.34Å; P442-S446 PolarHBondContact O-N 3.09Å; S446-R449 PolarHBondContact O-N 2.93Å; S446-E450 PolarHBondContact O-N 3.2Å; S446-E450 VanDerWaalsContact O-N 3.09Å
447H96.4Very high91.5Very high0 Ų067.6 Ų67.60%035%0.347CS..Hα-helixtrans-65.5-43.6176.9-171.2-174.4000111.7L435 S443 G444 E450 V451 K461 H463L435-H447 HydrophobicContact CD2-CB 4.29Å; S443-H447 WeakPolarHBondContact O-CB 3.49Å; S443-H447 PolarHBondContact O-N 3.41Å; G444-H447 PolarHBondContact O-N 3.45Å; H447-E450 PolarHBondContact O-N 3.32Å; H447-V451 VanDerWaalsContact O-CG2 3.3Å; H447-V451 WeakPolarHBondContact O-CG2 3.4Å; H447-V451 PolarHBondContact O-N 2.86Å; H447-K461 HydrophobicContact CB-CD 3.95Å; H447-H463 WeakPolarHBondContact CB-NE2 3.33Å; H447-H463 AromaticContact CG-NE2 3.66Å; H447-H463 AromaticContact ND1-NE2 3.62Å
448W96.9Very high91.8Very high7 Ų768.3 Ų68.33%0.02735%0.348CS..Hα-helixtrans-61.3-45176.4-172.3-106.9000112.1L336 L345 L409 V412 V414 L435 G444 A445 E450 V451 C452L336-W448 HydrophobicContact CD2-CE3 3.65Å; L336-W448 HydrophobicContact CD2-CZ3 3.58Å; L345-W448 HydrophobicContact CD1-CH2 4.41Å; L345-W448 HydrophobicContact CD1-CZ3 4.43Å; L345-W448 HydrophobicContact CD2-CH2 3.92Å; L345-W448 HydrophobicContact CD2-CZ3 4.25Å; L409-W448 HydrophobicContact CD1-CH2 4.14Å; L409-W448 HydrophobicContact CD1-CZ2 3.95Å; L409-W448 HydrophobicContact CG-CZ2 4.42Å; V412-W448 HydrophobicContact CB-CH2 4.33Å; V412-W448 HydrophobicContact CB-CZ2 4.06Å; V412-W448 HydrophobicContact CG1-CH2 3.71Å; V412-W448 HydrophobicContact CG1-CZ2 3.95Å; V412-W448 VanDerWaalsContact O-CZ2 3.31Å; V412-W448 WeakPolarHBondContact O-CZ2 3.4Å; V414-W448 HydrophobicContact CG2-CH2 4.27Å; V414-W448 HydrophobicContact CG2-CZ3 3.84Å; L435-W448 HydrophobicContact CB-CE3 4.23Å; G444-W448 PolarHBondContact O-N 3.38Å; A445-W448 PolarHBondContact O-N 3.05Å; W448-E450 PolarHBondContact O-N 3.13Å; W448-V451 WeakPolarHBondContact O-CB 3.35Å; W448-V451 PolarHBondContact O-N 3.22Å; W448-C452 PolarHBondContact O-N 3.28Å; W448-C452 VanDerWaalsContact O-N 3.14Å; W448-C452 PolarHBondContact O-SG 3.35Å
449R95.9Very high92.5Very high147 Ų14761.2 Ų61.256%0.55532%0.315SS*.Hα-helixtrans-58.3-48.5177.4-166-168.6-62.6144.80.8111.9A445 S446 V451 C452 E453A445-R449 WeakPolarHBondContact O-CB 3.35Å; A445-R449 PolarHBondContact O-N 2.76Å; S446-R449 PolarHBondContact O-N 2.93Å; R449-V451 VanDerWaalsContact C-N 3.25Å; R449-V451 PolarHBondContact O-N 2.97Å; R449-C452 PolarHBondContact O-N 3.3Å; R449-C452 VanDerWaalsContact O-N 3.07Å; R449-E453 WeakPolarHBondContact CD-OE1 3.32Å; R449-E453 HydrophobicContact CG-CG 4.25Å; R449-E453 VanDerWaalsContact CG-OE1 3.26Å; R449-E453 WeakPolarHBondContact CG-OE1 3.25Å; R449-E453 WeakPolarHBondContact O-CG 3.31Å; R449-E453 PolarHBondContact O-N 3.27Å
450E96.4Very high93Very high45 Ų4563.5 Ų63.521%0.2133%0.331CS..Hα-helixtrans-61.3-34.4-179.4-160.2-169.6136.700112S446 H447 W448 E453 N454 I459 K461S446-E450 PolarHBondContact O-N 3.2Å; S446-E450 VanDerWaalsContact O-N 3.09Å; H447-E450 PolarHBondContact O-N 3.32Å; W448-E450 PolarHBondContact O-N 3.13Å; E450-E453 PolarHBondContact O-N 2.88Å; E450-N454 VanDerWaalsContact O-CB 3.28Å; E450-N454 WeakPolarHBondContact O-CB 3.29Å; E450-N454 PolarHBondContact O-N 2.99Å; E450-N454 PolarHBondContact O-ND2 3.36Å; E450-I459 VanDerWaalsContact C-CD1 3.42Å; E450-I459 HydrophobicContact CB-CD1 3.88Å; E450-I459 HydrophobicContact CG-CD1 3.62Å; E450-I459 WeakPolarHBondContact O-CD1 3.26Å; E450-K461 WeakPolarHBondContact OE2-CE 3.46Å; E450-K461 IonicContact OE2-NZ 3.91Å; E450-K461 PolarHBondContact OE2-NZ 3.23Å
451V96.6Very high93.8Very high1 Ų161.6 Ų61.61%0.00631%0.313CS..Hα-helixtrans-66.4-38.6174.91720000112.3L336 H447 W448 R449 I459L336-V451 HydrophobicContact CB-CB 4.5Å; L336-V451 HydrophobicContact CB-CG1 4.12Å; L336-V451 HydrophobicContact CB-CG2 3.58Å; L336-V451 HydrophobicContact CD2-CG2 4.39Å; H447-V451 VanDerWaalsContact O-CG2 3.3Å; H447-V451 WeakPolarHBondContact O-CG2 3.4Å; H447-V451 PolarHBondContact O-N 2.86Å; W448-V451 WeakPolarHBondContact O-CB 3.35Å; W448-V451 PolarHBondContact O-N 3.22Å; R449-V451 VanDerWaalsContact C-N 3.25Å; R449-V451 PolarHBondContact O-N 2.97Å; V451-I459 HydrophobicContact CB-CD1 4.47Å; V451-I459 HydrophobicContact CG2-CB 4.23Å; V451-I459 HydrophobicContact CG2-CD1 3.91Å
452C94.1Very high94.5Very high50 Ų5064 Ų6434%0.33832%0.317SS..Hα-helixtrans-71.9-39.6174.8-63.40000112L409 W448 R449L409-C452 HydrophobicContact CD2-CB 4.5Å; W448-C452 PolarHBondContact O-N 3.28Å; W448-C452 VanDerWaalsContact O-N 3.14Å; W448-C452 PolarHBondContact O-SG 3.35Å; R449-C452 PolarHBondContact O-N 3.3Å; R449-C452 VanDerWaalsContact O-N 3.07Å
453E95.3Very high95Very high127 Ų12759.2 Ų59.259%0.59329%0.285SS*.Hα-helixtrans-71.4-26.1179.2-71.2167166.200113.3R449 E450 P455R449-E453 WeakPolarHBondContact CD-OE1 3.32Å; R449-E453 HydrophobicContact CG-CG 4.25Å; R449-E453 VanDerWaalsContact CG-OE1 3.26Å; R449-E453 WeakPolarHBondContact CG-OE1 3.25Å; R449-E453 WeakPolarHBondContact O-CG 3.31Å; R449-E453 PolarHBondContact O-N 3.27Å; E450-E453 PolarHBondContact O-N 2.88Å; E453-P455 VanDerWaalsContact O-CD 3.23Å; E453-P455 WeakPolarHBondContact O-CD 3.3Å
454N95.4Very high95.2Very high45 Ų4560.7 Ų60.724%0.24129%0.289CS..SBendtrans-117.565.6-176.4-64.5-113.5000112E450 R457 I459E450-N454 VanDerWaalsContact O-CB 3.28Å; E450-N454 WeakPolarHBondContact O-CB 3.29Å; E450-N454 PolarHBondContact O-N 2.99Å; E450-N454 PolarHBondContact O-ND2 3.36Å; N454-R457 HydrophobicContact CB-CB 3.75Å; N454-R457 HydrophobicContact CB-CG 4.36Å; N454-R457 WeakPolarHBondContact O-CB 3.3Å; N454-R457 PolarHBondContact O-N 3.35Å; N454-R457 VanDerWaalsContact O-N 3.09Å; N454-R457 WeakPolarHBondContact OD1-CD 3.5Å; N454-R457 PolarHBondContact OD1-NH1 2.89Å; N454-I459 HydrophobicContact CB-CD1 4.22Å
455P92.6Very high95.1Very high48 Ų4861 Ų6131%0.31229%0.291SS..THydrogen-bonded Turntrans-60.2141.1-178.725.5-34.7000112.4P340 E453 R457P340-P455 HydrophobicContact CG-CB 3.75Å; E453-P455 VanDerWaalsContact O-CD 3.23Å; E453-P455 WeakPolarHBondContact O-CD 3.3Å; P455-R457 PolarHBondContact O-N 2.83Å
456R93.6Very high94.8Very high174 Ų17461.7 Ų61.766%0.65729%0.294SS*.THydrogen-bonded Turntrans68-11-170.8-51.4160.4-67.3-124.7-3.1115.6Y338 Q339Y338-R456 PolarHBondContact O-N 2.84Å; Q339-R456 HydrophobicContact CG-CG 4.42Å
457R96.3Very high93.9Very high137 Ų13762.6 Ų62.652%0.51730%0.295SS..  trans-70.9141170.8-168177.2179174.3-3.6109S337 N454 P455 I459S337-R457 WeakPolarHBondContact CB-O 3.48Å; S337-R457 PolarHBondContact OG-O 2.94Å; N454-R457 HydrophobicContact CB-CB 3.75Å; N454-R457 HydrophobicContact CB-CG 4.36Å; N454-R457 WeakPolarHBondContact O-CB 3.3Å; N454-R457 PolarHBondContact O-N 3.35Å; N454-R457 VanDerWaalsContact O-N 3.09Å; N454-R457 WeakPolarHBondContact OD1-CD 3.5Å; N454-R457 PolarHBondContact OD1-NH1 2.89Å; P455-R457 PolarHBondContact O-N 2.83Å; R457-I459 HydrophobicContact CG-CG1 4.12Å
458Q96.6Very high92.3Very high118 Ų11869.7 Ų69.755%0.55133%0.326SS*.  trans-94.6124.2165.6-176172.4-0.400108.7S335S335-Q458 WeakPolarHBondContact OG-CG 3.43Å; S335-Q458 PolarHBondContact OG-NE2 3.17Å
459I98Very high92.1Very high8 Ų872.9 Ų72.94%0.04134%0.341CS..EExtended strand (participates in β ladder)trans-113143.3-179.5-59.6168.9000107.6S335 L336 E450 V451 N454 R457 K461S335-I459 CarbonylContact C-O 3.48Å; S335-I459 WeakPolarHBondContact CA-O 3.23Å; S335-I459 VanDerWaalsContact CB-O 3.25Å; S335-I459 WeakPolarHBondContact CB-O 3.15Å; S335-I459 PolarHBondContact OG-O 2.97Å; L336-I459 PolarHBondContact N-O 3.06Å; L336-I459 PolarHBondContact O-N 2.9Å; E450-I459 VanDerWaalsContact C-CD1 3.42Å; E450-I459 HydrophobicContact CB-CD1 3.88Å; E450-I459 HydrophobicContact CG-CD1 3.62Å; E450-I459 WeakPolarHBondContact O-CD1 3.26Å; V451-I459 HydrophobicContact CB-CD1 4.47Å; V451-I459 HydrophobicContact CG2-CB 4.23Å; V451-I459 HydrophobicContact CG2-CD1 3.91Å; N454-I459 HydrophobicContact CB-CD1 4.22Å; R457-I459 HydrophobicContact CG-CG1 4.12Å; I459-K461 HydrophobicContact CG2-CG 4.34Å
460S97.7Very high91.9Very high63 Ų6368.9 Ų68.944%0.44133%0.33SS..EExtended strand (participates in β ladder)trans-135.9124.1-179.5-58.30000109.3A334 S335A334-S460 WeakPolarHBondContact O-CA 3.36Å; S335-S460 VanDerWaalsContact CB-OG 3.27Å; S335-S460 WeakPolarHBondContact CB-OG 3.43Å; S335-S460 PolarHBondContact OG-OG 3.14Å; S335-S460 VanDerWaalsContact OG-OG 3.09Å
461K96.6Very high91.6Very high53 Ų5370.3 Ų70.323%0.2334%0.337CS..EExtended strand (participates in β ladder)trans-138.5144.1178.1-64.5-170.4-176.3179.50111.8A334 H447 E450 I459 H463A334-K461 PolarHBondContact N-O 2.69Å; A334-K461 PolarHBondContact O-N 3.44Å; H447-K461 HydrophobicContact CB-CD 3.95Å; E450-K461 WeakPolarHBondContact OE2-CE 3.46Å; E450-K461 IonicContact OE2-NZ 3.91Å; E450-K461 PolarHBondContact OE2-NZ 3.23Å; I459-K461 HydrophobicContact CG2-CG 4.34Å; K461-H463 PolarHBondContact O-CD2 3.37Å
462W95.7Very high91.3Very high87 Ų8774.4 Ų74.433%0.3336%0.356SS..EExtended strand (participates in β ladder)trans-76.8141.1165.8-73.4105000109.9E331 L333 K351 R353E331-W462 HydrophobicContact CB-CE3 3.79Å; E331-W462 HydrophobicContact CB-CZ3 4.18Å; L333-W462 HydrophobicContact CB-CD2 3.83Å; L333-W462 HydrophobicContact CB-CE3 3.68Å; L333-W462 HydrophobicContact CB-CH2 4.02Å; L333-W462 HydrophobicContact CB-CZ2 4.15Å; L333-W462 HydrophobicContact CB-CZ3 3.77Å; L333-W462 HydrophobicContact CD1-CD2 4.21Å; L333-W462 HydrophobicContact CD1-CG 4.14Å; L333-W462 HydrophobicContact CD2-CZ2 4.2Å; L333-W462 HydrophobicContact CG-CD2 4.46Å; K351-W462 HydrophobicContact CD-CH2 4.3Å; K351-W462 HydrophobicContact CG-CH2 3.92Å; K351-W462 HydrophobicContact CG-CZ2 4.42Å; R353-W462 HydrophobicContact CB-CH2 4.29Å; R353-W462 HydrophobicContact CB-CZ3 4.41Å; R353-W462 HydrophobicContact CG-CH2 3.8Å; R353-W462 HydrophobicContact CG-CZ3 3.7Å
463H94.3Very high91.1Very high4 Ų475.9 Ų75.92%0.01936%0.357CS..EExtended strand (participates in β ladder)trans-135.2138.9170.1-58.8-93.1000110.2E331 L332 L433 S443 G444 H447 K461E331-H463 CarbonylContact C-O 3.52Å; E331-H463 WeakPolarHBondContact CA-O 3.36Å; L332-H463 PolarHBondContact N-O 3.35Å; L332-H463 PolarHBondContact O-N 3.29Å; L433-H463 HydrophobicContact CD1-CB 3.54Å; L433-H463 HydrophobicContact CD2-CB 3.89Å; L433-H463 HydrophobicContact CG-CB 4.33Å; S443-H463 WeakPolarHBondContact CB-CE1 3.42Å; S443-H463 PolarHBondContact O-NE2 3.21Å; S443-H463 PolarHBondContact OG-CE1 2.92Å; S443-H463 PolarHBondContact OG-ND1 3.27Å; G444-H463 WeakPolarHBondContact CA-NE2 3.46Å; G444-H463 PolarHBondContact N-CE1 3.19Å; G444-H463 VanDerWaalsContact N-CE1 3.28Å; G444-H463 PolarHBondContact N-NE2 2.95Å; H447-H463 WeakPolarHBondContact CB-NE2 3.33Å; H447-H463 AromaticContact CG-NE2 3.66Å; H447-H463 AromaticContact ND1-NE2 3.62Å; K461-H463 PolarHBondContact O-CD2 3.37Å
464N91.1Very high90.9Very high90 Ų9072.5 Ų72.548%0.48134%0.341SS..EExtended strand (participates in β ladder)trans-62.1143.8163.5-76.4-63.5000110.1S328 E331S328-N464 PolarHBondContact OG-OD1 3.38Å; E331-N464 WeakPolarHBondContact CG-OD1 3.23Å
465L90.9Very high90.5Very high7 Ų774.4 Ų74.44%0.03735%0.349CS..PPolyproline II helixtrans-89.3133175-67.2164.6000110.5R329 G330 L332 L355 V418 R432 L433R329-L465 HydrophobicContact CB-CB 4.04Å; R329-L465 WeakPolarHBondContact O-CD1 3.46Å; G330-L465 WeakPolarHBondContact O-CB 3.38Å; G330-L465 PolarHBondContact O-N 3.17Å; L332-L465 HydrophobicContact CB-CD1 4.48Å; L332-L465 HydrophobicContact CB-CD2 4.01Å; L332-L465 HydrophobicContact CB-CG 4.34Å; L332-L465 HydrophobicContact CD2-CD2 4.49Å; L355-L465 HydrophobicContact CD2-CD1 3.73Å; V418-L465 HydrophobicContact CB-CD1 4.23Å; V418-L465 HydrophobicContact CG2-CD1 3.68Å; V418-L465 HydrophobicContact CG2-CD2 3.77Å; V418-L465 HydrophobicContact CG2-CG 4.41Å; R432-L465 CarbonylContact O-C 3.55Å; R432-L465 WeakPolarHBondContact O-CA 3.34Å; L433-L465 HydrophobicContact CB-CD2 4.06Å
466S84.9Confident90.4Very high34 Ų3476.5 Ų76.524%0.23835%0.351CS..BIsolated β-bridgetrans-90.6173.7175.573.90000112.4G431 R432G431-S466 CarbonylContact C-O 3.56Å; G431-S466 WeakPolarHBondContact CA-O 3.02Å; R432-S466 PolarHBondContact N-O 3.33Å; R432-S466 PolarHBondContact O-N 3.27Å; R432-S466 PolarHBondContact O-OG 3.23Å
467D77.2Confident90.1Very high69 Ų6968.3 Ų68.337%0.36933%0.326SS..PPolyproline II helixtrans-58.5164159.9-75.2-20.1000112.4R329 R432R329-D467 VanDerWaalsContact CD-OD1 3.23Å; R329-D467 WeakPolarHBondContact CD-OD1 3.38Å; R329-D467 IonicContact CZ-OD1 3.07Å; R329-D467 IonicContact NE-OD1 2.86Å; R329-D467 IonicContact NH1-OD1 3.22Å; R329-D467 PolarHBondContact NH1-OD1 3.18Å; R432-D467 WeakPolarHBondContact CB-O 3.43Å
468F62.1Low89.6Confident150 Ų15062.1 Ų62.166%0.65831%0.309SS*.  trans-118.30178.6174.1-87.8000111.6L417 V429 R432L417-F468 HydrophobicContact CD1-CD2 4.15Å; L417-F468 HydrophobicContact CD1-CE2 3.67Å; L417-F468 HydrophobicContact CD1-CZ 4.48Å; L417-F468 HydrophobicContact CD2-CD2 3.47Å; L417-F468 VanDerWaalsContact CD2-CD2 3.47Å; L417-F468 HydrophobicContact CD2-CE2 3.74Å; L417-F468 HydrophobicContact CG-CD2 4.45Å; L417-F468 HydrophobicContact CG-CE2 4.37Å; V429-F468 HydrophobicContact CB-CB 4.3Å; V429-F468 HydrophobicContact CB-CG 4.45Å; V429-F468 HydrophobicContact CG1-CB 3.79Å; V429-F468 HydrophobicContact CG1-CD2 4.37Å; V429-F468 HydrophobicContact CG1-CG 4.06Å; V429-F468 HydrophobicContact CG2-CD1 4.32Å; V429-F468 HydrophobicContact CG2-CG 4.35Å; R432-F468 HydrophobicContact CB-CB 4.41Å

Retrieved 468 of 468 residues in 524.2 ms (Link to these results)