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Isoform RRp47 of Ribosome-binding protein 1 AlphaSync

Canonical isoform description: Acts as a ribosome receptor and mediates interaction between the ribosome and the endoplasmic reticulum membrane.

AlphaFold DB , UniProt , Accession Q99PL5-3 (canonical: Q99PL5), Species MOUSE (Mus musculus, Mouse), Gene Rrbp1, Length 701 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
1M50.1Low69.1Low223 Ų223124.5 Ų124.5100%1.09966%0.655SS**  0103.30-92.5-58.9173.200107.5I3M1-I3 VanDerWaalsContact O-CG1 3.27Å; M1-I3 WeakPolarHBondContact O-CG1 3.42Å; M1-I3 PolarHBondContact O-N 3.18Å
2D56.9Low70.3Confident145 Ų145122.8 Ų122.878%0.77565%0.654SS**  trans-72.686.7-175.9-67.3-70.8000110.9Y4D2-Y4 PolarHBondContact O-N 3.47Å; D2-Y4 VanDerWaalsContact O-N 3.12Å
3I59.6Low71.5Confident141 Ų141120.9 Ų120.972%0.72365%0.649SS**THydrogen-bonded Turntrans-72.53.4174.8-27.5-179.1000111.6M1M1-I3 VanDerWaalsContact O-CG1 3.27Å; M1-I3 WeakPolarHBondContact O-CG1 3.42Å; M1-I3 PolarHBondContact O-N 3.18Å
4Y65.5Low72.4Confident202 Ų202122.7 Ų122.779%0.79265%0.648SS**THydrogen-bonded Turntrans-122.223.3-174-76.6-82.1000113.6D2 T6D2-Y4 PolarHBondContact O-N 3.47Å; D2-Y4 VanDerWaalsContact O-N 3.12Å; Y4-T6 PolarHBondContact O-N 3.13Å
5D72.3Confident73.5Confident75 Ų75116.8 Ų116.840%0.40163%0.628SS.*  trans-64.3127.4168.1174.330.5000109.9Q7 T8 L9D5-Q7 PolarHBondContact O-N 3.2Å; D5-Q7 PolarHBondContact OD1-N 3.24Å; D5-T8 WeakPolarHBondContact CB-OG1 3.42Å; D5-T8 PolarHBondContact O-N 3.15Å; D5-T8 PolarHBondContact O-OG1 3.05Å; D5-L9 PolarHBondContact O-N 2.97Å
6T70Confident74.6Confident117 Ų117111.8 Ų111.872%0.71861%0.613SS**Hα-helixtrans-65.4-26.8-172.9-49.30000111.1Y4 G10Y4-T6 PolarHBondContact O-N 3.13Å; T6-G10 PolarHBondContact O-N 2.67Å
7Q74.1Confident75.6Confident154 Ų154113.3 Ų113.372%0.7261%0.612SS**Hα-helixtrans-70.4-47.6173.4-75.2-171.21.100112.3D5 L9 G10 V11D5-Q7 PolarHBondContact O-N 3.2Å; D5-Q7 PolarHBondContact OD1-N 3.24Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; Q7-L9 PolarHBondContact O-N 3.17Å; Q7-G10 WeakPolarHBondContact O-CA 3.49Å; Q7-G10 PolarHBondContact O-N 3.11Å; Q7-G10 VanDerWaalsContact O-N 3.14Å; Q7-V11 WeakPolarHBondContact O-CG2 2.89Å; Q7-V11 PolarHBondContact O-N 3.19Å
8T75.7Confident76.6Confident71 Ų71113.7 Ų113.744%0.43661%0.611SS.*Hα-helixtrans-63.9-40.5177.744.70000111.7D5 G10 V11 V12D5-T8 WeakPolarHBondContact CB-OG1 3.42Å; D5-T8 PolarHBondContact O-N 3.15Å; D5-T8 PolarHBondContact O-OG1 3.05Å; T8-G10 VanDerWaalsContact C-N 3.29Å; T8-G10 PolarHBondContact O-N 3.41Å; T8-V11 PolarHBondContact O-N 3.1Å; T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.42Å; T8-V12 PolarHBondContact O-N 3.1Å
9L77.6Confident77.5Confident96 Ų96112.4 Ų112.450%0.50361%0.608SS.*Hα-helixtrans-60.1-41.4173.1-15983000111.4D5 Q7 V12 V13D5-L9 PolarHBondContact O-N 2.97Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; Q7-L9 PolarHBondContact O-N 3.17Å; L9-V12 PolarHBondContact O-N 3.44Å; L9-V13 WeakPolarHBondContact O-CB 3.45Å; L9-V13 VanDerWaalsContact O-CG2 3.24Å; L9-V13 WeakPolarHBondContact O-CG2 3.38Å; L9-V13 PolarHBondContact O-N 3.3Å
10G76.9Confident78.3Confident38 Ų38111.9 Ų111.939%0.39261%0.608SS.*Hα-helixtrans-58.8-47.3174.300000112.5T6 Q7 T8 V13 F14T6-G10 PolarHBondContact O-N 2.67Å; Q7-G10 WeakPolarHBondContact O-CA 3.49Å; Q7-G10 PolarHBondContact O-N 3.11Å; Q7-G10 VanDerWaalsContact O-N 3.14Å; T8-G10 VanDerWaalsContact C-N 3.29Å; T8-G10 PolarHBondContact O-N 3.41Å; G10-V13 PolarHBondContact O-N 3.32Å; G10-F14 VanDerWaalsContact O-CB 3.28Å; G10-F14 WeakPolarHBondContact O-CB 3.47Å; G10-F14 PolarHBondContact O-N 3.04Å
11V81.4Confident79Confident107 Ų107108.4 Ų108.465%0.64859%0.592SS**Hα-helixtrans-65.6-41178.51760000111.6Q7 T8 F14 G15Q7-V11 WeakPolarHBondContact O-CG2 2.89Å; Q7-V11 PolarHBondContact O-N 3.19Å; T8-V11 PolarHBondContact O-N 3.1Å; V11-F14 PolarHBondContact O-N 2.95Å; V11-G15 WeakPolarHBondContact O-CA 3.49Å; V11-G15 PolarHBondContact O-N 3.26Å
12V83.8Confident81.2Confident105 Ų105100.6 Ų100.664%0.63656%0.563SS**Hα-helixtrans-65.5-43.1177.6173.10000111.2T8 L9 G16T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.42Å; T8-V12 PolarHBondContact O-N 3.1Å; L9-V12 PolarHBondContact O-N 3.44Å; V12-G16 PolarHBondContact O-N 2.88Å
13V85.3Confident82.9Confident98 Ų9898.2 Ų98.259%0.59455%0.549SS*.Hα-helixtrans-68.1-44.3178173.30000111.1L9 G10 F17L9-V13 WeakPolarHBondContact O-CB 3.45Å; L9-V13 VanDerWaalsContact O-CG2 3.24Å; L9-V13 WeakPolarHBondContact O-CG2 3.38Å; L9-V13 PolarHBondContact O-N 3.3Å; G10-V13 PolarHBondContact O-N 3.32Å; V13-F17 VanDerWaalsContact O-CB 3.3Å; V13-F17 WeakPolarHBondContact O-CB 3.45Å; V13-F17 PolarHBondContact O-N 3.28Å
14F85.1Confident84.5Confident146 Ų14693.1 Ų93.164%0.6453%0.532SS*.Hα-helixtrans-71.6-41.1-178.3-141.2-89.7000112G10 V11 F17 M18G10-F14 VanDerWaalsContact O-CB 3.28Å; G10-F14 WeakPolarHBondContact O-CB 3.47Å; G10-F14 PolarHBondContact O-N 3.04Å; V11-F14 PolarHBondContact O-N 2.95Å; F14-F17 PolarHBondContact O-N 3.47Å; F14-M18 WeakPolarHBondContact O-CB 3.47Å; F14-M18 PolarHBondContact O-N 3.3Å
15G88.5Confident85.7Confident34 Ų3489 Ų8935%0.35152%0.522SS..Hα-helixtrans-64.3-46.417400000111.9V11 F17 M18 V19V11-G15 WeakPolarHBondContact O-CA 3.49Å; V11-G15 PolarHBondContact O-N 3.26Å; G15-F17 VanDerWaalsContact C-N 3.34Å; G15-F17 PolarHBondContact O-N 3.47Å; G15-M18 WeakPolarHBondContact O-CB 3.01Å; G15-M18 PolarHBondContact O-N 2.92Å; G15-V19 WeakPolarHBondContact O-CG2 3.42Å; G15-V19 PolarHBondContact O-N 3.12Å
16G90.7Very high86.5Confident37 Ų3791.9 Ų91.938%0.38153%0.531SS..Hα-helixtrans-59.7-43.1174.500000112.3V12 M18 V19 V20V12-G16 PolarHBondContact O-N 2.88Å; G16-M18 PolarHBondContact O-N 3.25Å; G16-V19 PolarHBondContact O-N 3.09Å; G16-V20 WeakPolarHBondContact O-CG2 3.05Å; G16-V20 PolarHBondContact O-N 2.91Å
17F92Very high87.2Confident137 Ų13791.2 Ų91.260%0.60152%0.523SS*.Hα-helixtrans-63.5-40.2175.6-175.6-100000112.4V13 F14 G15 S21V13-F17 VanDerWaalsContact O-CB 3.3Å; V13-F17 WeakPolarHBondContact O-CB 3.45Å; V13-F17 PolarHBondContact O-N 3.28Å; F14-F17 PolarHBondContact O-N 3.47Å; G15-F17 VanDerWaalsContact C-N 3.34Å; G15-F17 PolarHBondContact O-N 3.47Å; F17-S21 WeakPolarHBondContact CE1-OG 3.31Å; F17-S21 VanDerWaalsContact O-CB 3.24Å; F17-S21 WeakPolarHBondContact O-CB 2.78Å; F17-S21 PolarHBondContact O-N 3.07Å; F17-S21 PolarHBondContact O-OG 3.43Å
18M94.3Very high87.7Confident121 Ų12188.5 Ų88.560%0.59652%0.516SS*.Hα-helixtrans-59.8-45.8174.8-92-92157.800111.9F14 G15 G16 S21 A22F14-M18 WeakPolarHBondContact O-CB 3.47Å; F14-M18 PolarHBondContact O-N 3.3Å; G15-M18 WeakPolarHBondContact O-CB 3.01Å; G15-M18 PolarHBondContact O-N 2.92Å; G16-M18 PolarHBondContact O-N 3.25Å; M18-S21 PolarHBondContact O-N 3.42Å; M18-A22 WeakPolarHBondContact O-CB 3.2Å; M18-A22 PolarHBondContact O-N 3.39Å
19V93.4Very high87.7Confident89 Ų8988.1 Ų88.154%0.53952%0.517SS..Hα-helixtrans-65.3-47.1178.8174.90000111.5G15 G16 S21 A22 I23G15-V19 WeakPolarHBondContact O-CG2 3.42Å; G15-V19 PolarHBondContact O-N 3.12Å; G16-V19 PolarHBondContact O-N 3.09Å; V19-S21 VanDerWaalsContact C-N 3.27Å; V19-S21 PolarHBondContact O-N 3.05Å; V19-A22 PolarHBondContact O-N 2.89Å; V19-I23 HydrophobicContact CG1-CD1 3.99Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 3.23Å
20V93.8Very high87.7Confident102 Ų10286.5 Ų86.562%0.61851%0.511SS*.Hα-helixtrans-62.8-37.4177.7175.20000111.2G16 G24G16-V20 WeakPolarHBondContact O-CG2 3.05Å; G16-V20 PolarHBondContact O-N 2.91Å; V20-G24 PolarHBondContact O-N 3.27Å
21S92.6Very high87.3Confident39 Ų3992.3 Ų92.327%0.27353%0.525SS..Hα-helixtrans-65.7-42.6175.6-58.60000111.7F17 M18 V19 G24 I25F17-S21 WeakPolarHBondContact CE1-OG 3.31Å; F17-S21 VanDerWaalsContact O-CB 3.24Å; F17-S21 WeakPolarHBondContact O-CB 2.78Å; F17-S21 PolarHBondContact O-N 3.07Å; F17-S21 PolarHBondContact O-OG 3.43Å; M18-S21 PolarHBondContact O-N 3.42Å; V19-S21 VanDerWaalsContact C-N 3.27Å; V19-S21 PolarHBondContact O-N 3.05Å; S21-G24 PolarHBondContact O-N 2.97Å; S21-I25 VanDerWaalsContact O-CG1 3.29Å; S21-I25 WeakPolarHBondContact O-CG1 3.38Å; S21-I25 PolarHBondContact O-N 3.47Å
22A94.9Very high86.7Confident59 Ų5991.1 Ų91.149%0.48852%0.522SS..Hα-helixtrans-62.8-43.7177.300000111.8M18 V19 I25 F26M18-A22 WeakPolarHBondContact O-CB 3.2Å; M18-A22 PolarHBondContact O-N 3.39Å; V19-A22 PolarHBondContact O-N 2.89Å; A22-I25 PolarHBondContact O-N 3.2Å; A22-F26 WeakPolarHBondContact O-CB 3.44Å; A22-F26 PolarHBondContact O-N 3.44Å
23I93.6Very high85.7Confident95 Ų9594.2 Ų94.249%0.48753%0.532SS..Hα-helixtrans-62.5-43.8174.6-64.8166.9000110.5V19 I25 F26 L27V19-I23 HydrophobicContact CG1-CD1 3.99Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 3.23Å; I23-I25 PolarHBondContact O-N 3.3Å; I23-F26 PolarHBondContact O-N 3.17Å; I23-L27 HydrophobicContact CG2-CD1 4Å; I23-L27 HydrophobicContact CG2-CG 4.31Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 3.12Å
24G93.4Very high84.1Confident34 Ų3498 Ų9835%0.35154%0.54SS..Hα-helixtrans-59.9-43.4177.500000112.9V20 S21 V28V20-G24 PolarHBondContact O-N 3.27Å; S21-G24 PolarHBondContact O-N 2.97Å; G24-V28 WeakPolarHBondContact O-CG2 3.44Å; G24-V28 PolarHBondContact O-N 3.27Å
25I89.4Confident82.8Confident114 Ų11498.4 Ų98.459%0.58554%0.544SS*.Hα-helixtrans-66.7-42176-64.9164.1000110.5S21 A22 I23 L27 V28 S29S21-I25 VanDerWaalsContact O-CG1 3.29Å; S21-I25 WeakPolarHBondContact O-CG1 3.38Å; S21-I25 PolarHBondContact O-N 3.47Å; A22-I25 PolarHBondContact O-N 3.2Å; I23-I25 PolarHBondContact O-N 3.3Å; I25-L27 PolarHBondContact O-N 2.97Å; I25-V28 PolarHBondContact O-N 3.48Å; I25-S29 WeakPolarHBondContact O-CB 2.82Å; I25-S29 PolarHBondContact O-N 3.02Å
26F89.2Confident81.3Confident136 Ų136101.8 Ų101.860%0.59656%0.558SS**Hα-helixtrans-61.1-44.5177.9-176.3-97.6000111.8A22 I23 S29 T30A22-F26 WeakPolarHBondContact O-CB 3.44Å; A22-F26 PolarHBondContact O-N 3.44Å; I23-F26 PolarHBondContact O-N 3.17Å; F26-S29 PolarHBondContact O-N 3.33Å; F26-T30 HydrophobicContact CD1-CG2 4.38Å; F26-T30 HydrophobicContact CE1-CG2 3.85Å; F26-T30 HydrophobicContact CE2-CG2 4.24Å; F26-T30 HydrophobicContact CZ-CG2 3.77Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 PolarHBondContact O-N 2.99Å; F26-T30 PolarHBondContact O-OG1 3.1Å
27L86.1Confident80Confident104 Ų104103.4 Ų103.455%0.54556%0.563SS.*Hα-helixtrans-64.4-43.1176.5-69.9175.3000111.9I23 I25 T30 F31I23-L27 HydrophobicContact CG2-CD1 4Å; I23-L27 HydrophobicContact CG2-CG 4.31Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 3.12Å; I25-L27 PolarHBondContact O-N 2.97Å; L27-T30 WeakPolarHBondContact CA-OG1 3.47Å; L27-T30 PolarHBondContact O-N 3.01Å; L27-T30 PolarHBondContact O-OG1 3.22Å; L27-F31 VanDerWaalsContact O-CB 3.24Å; L27-F31 WeakPolarHBondContact O-CB 2.89Å; L27-F31 PolarHBondContact O-N 3.1Å
28V83.1Confident78.6Confident96 Ų96105.8 Ų105.858%0.58257%0.57SS**Hα-helixtrans-64.6-41.6176.2169.30000111.1G24 I25 S32G24-V28 WeakPolarHBondContact O-CG2 3.44Å; G24-V28 PolarHBondContact O-N 3.27Å; I25-V28 PolarHBondContact O-N 3.48Å; V28-S32 WeakPolarHBondContact O-CB 3.39Å; V28-S32 PolarHBondContact O-N 3.11Å; V28-S32 PolarHBondContact O-OG 3.15Å
29S76.6Confident77.3Confident64 Ų64106.8 Ų106.845%0.44857%0.573SS.*Hα-helixtrans-65.7-46.2176.4-86.40000112.4I25 F26 F31 S32 M33I25-S29 WeakPolarHBondContact O-CB 2.82Å; I25-S29 PolarHBondContact O-N 3.02Å; F26-S29 PolarHBondContact O-N 3.33Å; S29-F31 VanDerWaalsContact C-N 3.33Å; S29-F31 PolarHBondContact O-N 2.8Å; S29-S32 PolarHBondContact O-N 3.44Å; S29-M33 WeakPolarHBondContact O-CG 3.22Å; S29-M33 PolarHBondContact O-N 2.91Å
30T77.2Confident76.3Confident61 Ų61107.7 Ų107.737%0.37457%0.571SS.*Hα-helixtrans-66.8-35.1178.936.30000112.2F26 L27F26-T30 HydrophobicContact CD1-CG2 4.38Å; F26-T30 HydrophobicContact CE1-CG2 3.85Å; F26-T30 HydrophobicContact CE2-CG2 4.24Å; F26-T30 HydrophobicContact CZ-CG2 3.77Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 PolarHBondContact O-N 2.99Å; F26-T30 PolarHBondContact O-OG1 3.1Å; L27-T30 WeakPolarHBondContact CA-OG1 3.47Å; L27-T30 PolarHBondContact O-N 3.01Å; L27-T30 PolarHBondContact O-OG1 3.22Å
31F68.8Low75.4Confident160 Ų160105.5 Ų105.570%0.70256%0.564SS**Hα-helixtrans-74.5-37.9176-146.3-95.7000112.1L27 S29 M33 K34L27-F31 VanDerWaalsContact O-CB 3.24Å; L27-F31 WeakPolarHBondContact O-CB 2.89Å; L27-F31 PolarHBondContact O-N 3.1Å; S29-F31 VanDerWaalsContact C-N 3.33Å; S29-F31 PolarHBondContact O-N 2.8Å; F31-M33 PolarHBondContact O-N 3.46Å; F31-K34 PolarHBondContact O-N 3.1Å
32S68.3Low74.6Confident83 Ų83106.3 Ų106.358%0.5857%0.565SS**Hα-helixtrans-66.9-26.2176.3-58.20000112.6V28 S29 K34V28-S32 WeakPolarHBondContact O-CB 3.39Å; V28-S32 PolarHBondContact O-N 3.11Å; V28-S32 PolarHBondContact O-OG 3.15Å; S29-S32 PolarHBondContact O-N 3.44Å; S32-K34 VanDerWaalsContact C-N 3.25Å; S32-K34 PolarHBondContact O-N 3.04Å
33M62.7Low73.9Confident169 Ų169106.1 Ų106.183%0.83356%0.564SS**THydrogen-bonded Turntrans-77-6.8176.8-79.4174.6147.500114S29 F31S29-M33 WeakPolarHBondContact O-CG 3.22Å; S29-M33 PolarHBondContact O-N 2.91Å; F31-M33 PolarHBondContact O-N 3.46Å
34K53.2Low73.2Confident179 Ų179106.1 Ų106.178%0.77856%0.564SS**THydrogen-bonded Turntrans-107.6-1-175.7-141.9175.6173177.20114.6F31 S32 T36F31-K34 PolarHBondContact O-N 3.1Å; S32-K34 VanDerWaalsContact C-N 3.25Å; S32-K34 PolarHBondContact O-N 3.04Å; K34-T36 VanDerWaalsContact C-N 3.33Å; K34-T36 PolarHBondContact O-N 3.49Å
35E56.9Low72.5Confident154 Ų154109.5 Ų109.572%0.7257%0.571SS**  trans-78.191.6166.2-63.4-161157.500108.2S37E35-S37 PolarHBondContact O-N 3.35Å
36T57Low72Confident104 Ų104112.9 Ų112.964%0.63858%0.577SS**  trans-41.6111.4150.229.30000106.5K34 Y38K34-T36 VanDerWaalsContact C-N 3.33Å; K34-T36 PolarHBondContact O-N 3.49Å; T36-Y38 PolarHBondContact O-N 3.12Å
37S62.7Low71.6Confident71 Ų71112.6 Ų112.650%0.49758%0.575SS.*  trans-51.7137-174.3174.90000108.5E35 E39 E40 A41E35-S37 PolarHBondContact O-N 3.35Å; S37-E39 PolarHBondContact O-N 3.31Å; S37-E40 WeakPolarHBondContact O-CA 3.32Å; S37-E40 WeakPolarHBondContact O-CB 3.48Å; S37-E40 PolarHBondContact O-N 3.07Å; S37-A41 PolarHBondContact O-N 3.32Å
38Y63Low71.2Confident187 Ų187114.1 Ų114.173%0.73358%0.579SS**Hα-helixtrans-50.4-29.6178-179.2-99.6000112.6T36 L42T36-Y38 PolarHBondContact O-N 3.12Å; Y38-L42 HydrophobicContact CD1-CD1 4.01Å; Y38-L42 HydrophobicContact CE1-CD1 3.5Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.5Å; Y38-L42 PolarHBondContact O-N 3.22Å
39E67.6Low70.7Confident143 Ų143115 Ų11567%0.66858%0.579SS**Hα-helixtrans-62.3-39.4171.2-87.4-75.2146.600113.5S37 L42 A43S37-E39 PolarHBondContact O-N 3.31Å; E39-L42 PolarHBondContact O-N 3.49Å; E39-A43 WeakPolarHBondContact O-CB 3.36Å; E39-A43 PolarHBondContact O-N 3.08Å
40E72.1Confident70.6Confident107 Ų107114.6 Ų114.650%0.558%0.579SS.*Hα-helixtrans-71.8-37.9179-168.2179.7-178.100111.9S37 L42 A43 N44S37-E40 WeakPolarHBondContact O-CA 3.32Å; S37-E40 WeakPolarHBondContact O-CB 3.48Å; S37-E40 PolarHBondContact O-N 3.07Å; E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 PolarHBondContact O-N 3.28Å; E40-A43 PolarHBondContact O-N 3.15Å; E40-N44 PolarHBondContact O-N 3.16Å
41A74.8Confident70.3Confident57 Ų57119 Ų11947%0.47159%0.593SS.*Hα-helixtrans-62.6-41.7173.800000111.5S37 N44 Q45S37-A41 PolarHBondContact O-N 3.32Å; A41-N44 PolarHBondContact O-N 3.26Å; A41-Q45 PolarHBondContact O-N 3.43Å
42L76.7Confident70Confident55 Ų55116 Ų11629%0.28859%0.589SS.*Hα-helixtrans-64.8-38.6173.5-102.3159.3000112.3Y38 E39 E40 R46Y38-L42 HydrophobicContact CD1-CD1 4.01Å; Y38-L42 HydrophobicContact CE1-CD1 3.5Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.5Å; Y38-L42 PolarHBondContact O-N 3.22Å; E39-L42 PolarHBondContact O-N 3.49Å; E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 PolarHBondContact O-N 3.28Å; L42-R46 WeakPolarHBondContact O-CG 3.41Å; L42-R46 PolarHBondContact O-N 3Å
43A79.5Confident69.5Low56 Ų56119.6 Ų119.646%0.46360%0.595SS.*Hα-helixtrans-65.3-43.9175.300000111.8E39 E40 R46 K47E39-A43 WeakPolarHBondContact O-CB 3.36Å; E39-A43 PolarHBondContact O-N 3.08Å; E40-A43 PolarHBondContact O-N 3.15Å; A43-R46 PolarHBondContact O-N 2.82Å; A43-K47 WeakPolarHBondContact O-CB 3.42Å; A43-K47 PolarHBondContact O-N 2.95Å
44N79.4Confident69.1Low94 Ų94118.9 Ų118.950%0.50359%0.59SS.*Hα-helixtrans-66.3-40.4177.5-102.7-14.4000112.2E40 A41 R46 K47 E48E40-N44 PolarHBondContact O-N 3.16Å; A41-N44 PolarHBondContact O-N 3.26Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 2.98Å; N44-K47 PolarHBondContact O-N 2.88Å; N44-K47 VanDerWaalsContact O-N 3.15Å; N44-E48 WeakPolarHBondContact O-CB 3.42Å; N44-E48 PolarHBondContact O-N 2.94Å
45Q77.6Confident69.1Low106 Ų106118.3 Ų118.350%0.49559%0.59SS.*Hα-helixtrans-61.1-41.6176.2-162.6-161.531.500111.9A41 E48 M49A41-Q45 PolarHBondContact O-N 3.43Å; Q45-E48 PolarHBondContact O-N 3.08Å; Q45-M49 HydrophobicContact CG-CE 3.95Å; Q45-M49 WeakPolarHBondContact O-CG 3.25Å; Q45-M49 PolarHBondContact O-N 3.34Å
46R80.1Confident68.4Low184 Ų184120.1 Ų120.169%0.69460%0.596SS**Hα-helixtrans-65.9-39.3174.6-72.1-179.2-1791715.2112.2L42 A43 N44 E48 A50L42-R46 WeakPolarHBondContact O-CG 3.41Å; L42-R46 PolarHBondContact O-N 3Å; A43-R46 PolarHBondContact O-N 2.82Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 2.98Å; R46-E48 VanDerWaalsContact C-N 3.33Å; R46-A50 WeakPolarHBondContact O-CB 3.32Å; R46-A50 PolarHBondContact O-N 3.18Å
47K80.4Confident67.9Low131 Ų131117.6 Ų117.657%0.5759%0.59SS**Hα-helixtrans-66.6-35.6177.6-160.8177-174.2179.80111.7A43 N44 K51A43-K47 WeakPolarHBondContact O-CB 3.42Å; A43-K47 PolarHBondContact O-N 2.95Å; N44-K47 PolarHBondContact O-N 2.88Å; N44-K47 VanDerWaalsContact O-N 3.15Å; K47-K51 WeakPolarHBondContact O-CG 3.42Å; K47-K51 PolarHBondContact O-N 3.36Å
48E77.2Confident67Low135 Ų135122 Ų12263%0.63160%0.603SS**Hα-helixtrans-72.2-43176.8-159.6-174.9164.300111.9N44 Q45 R46 A50 K51 T52N44-E48 WeakPolarHBondContact O-CB 3.42Å; N44-E48 PolarHBondContact O-N 2.94Å; Q45-E48 PolarHBondContact O-N 3.08Å; R46-E48 VanDerWaalsContact C-N 3.33Å; E48-A50 VanDerWaalsContact C-N 3.28Å; E48-A50 PolarHBondContact O-N 2.87Å; E48-K51 PolarHBondContact O-N 2.61Å; E48-K51 VanDerWaalsContact O-N 3.16Å; E48-T52 PolarHBondContact O-N 3.01Å
49M73.4Confident66.2Low115 Ų115123.1 Ų123.157%0.56761%0.612SS**Hα-helixtrans-62.6-33.1172.9-70.6-160.6-141.400112.9Q45 T52 H53Q45-M49 HydrophobicContact CG-CE 3.95Å; Q45-M49 WeakPolarHBondContact O-CG 3.25Å; Q45-M49 PolarHBondContact O-N 3.34Å; M49-T52 PolarHBondContact O-OG1 2.97Å; M49-T52 VanDerWaalsContact O-OG1 3.11Å; M49-H53 PolarHBondContact O-N 2.87Å
50A74.8Confident64.9Low56 Ų56125.9 Ų125.946%0.46362%0.621SS.*Hα-helixtrans-69-34.1175.700000112.4R46 E48R46-A50 WeakPolarHBondContact O-CB 3.32Å; R46-A50 PolarHBondContact O-N 3.18Å; E48-A50 VanDerWaalsContact C-N 3.28Å; E48-A50 PolarHBondContact O-N 2.87Å
51K70.4Confident63.5Low152 Ų152129.6 Ų129.666%0.66164%0.636SS**Hα-helixtrans-71.6-36.1178.3-76.6177.8175.4-171.90112.7K47 E48 H53 H54K47-K51 WeakPolarHBondContact O-CG 3.42Å; K47-K51 PolarHBondContact O-N 3.36Å; E48-K51 PolarHBondContact O-N 2.61Å; E48-K51 VanDerWaalsContact O-N 3.16Å; K51-H53 VanDerWaalsContact C-N 3.32Å; K51-H53 PolarHBondContact O-N 3.22Å; K51-H54 PolarHBondContact O-N 3.01Å
52T61.7Low61.7Low99 Ų99137 Ų13761%0.60766%0.657SS**Hα-helixtrans-72.3-25.6179.452.90000113E48 M49E48-T52 PolarHBondContact O-N 3.01Å; M49-T52 PolarHBondContact O-OG1 2.97Å; M49-T52 VanDerWaalsContact O-OG1 3.11Å
53H58.4Low59.9Low157 Ų157142.8 Ų142.873%0.72768%0.683SS**Hα-helixtrans-73.9-25.6176.6-159.6-82.9000113.4M49 K51M49-H53 PolarHBondContact O-N 2.87Å; K51-H53 VanDerWaalsContact C-N 3.32Å; K51-H53 PolarHBondContact O-N 3.22Å
54H54.7Low57.9Low154 Ų154149.2 Ų149.271%0.71370%0.701SS**Hα-helixtrans-72.9-27.5179.8-94.3-69.3000113.8K51 K56K51-H54 PolarHBondContact O-N 3.01Å; H54-K56 PolarHBondContact O-N 3.16Å
55Q51.9Low56.1Low168 Ų168151 Ų15179%0.78572%0.715SS**Hα-helixtrans-80.5-15.7-176.7-135.6-173.36000114
56K43.4Very low54.2Low192 Ų192152.7 Ų152.784%0.83573%0.732SS**THydrogen-bonded Turntrans-85.4-8.2177.3-150.6171.9-176177.40113.5H54H54-K56 PolarHBondContact O-N 3.16Å
57G46.2Very low52.2Low51 Ų51153.3 Ų153.353%0.52674%0.743SS.*SBendtrans-85-22.8-179.300000115.3
58E43.6Very low50.3Low164 Ų164156.6 Ų156.677%0.76676%0.757SS**G310 helixtrans-83.4-15.4-168.8-71-167.3112.200114.8K60E58-K60 PolarHBondContact O-N 3.4Å
59K45.5Very low48.1Very low210 Ų210159.8 Ų159.891%0.91377%0.769SS**G310 helixtrans-86.9-2.2-178-134.5174.2-174.8175.70115.1
60K41.9Very low46.4Very low201 Ų201158 Ų15887%0.87478%0.78SS**G310 helixtrans-116.32.7-174.9-129.5-176.8-178-1770116.1E58E58-K60 PolarHBondContact O-N 3.4Å
61K41Very low44.3Very low185 Ų185164.6 Ų164.680%0.80480%0.798SS**SBendtrans-103.79.9-174.3-149.7-174.3174-177.80115.4
62K38.3Very low42.8Very low211 Ų211164.2 Ų164.292%0.91781%0.809SS**SBendtrans-94.61.9-176.6-142.2-175.2178.2-176.50116
63E37.6Very low41.3Very low177 Ų177168.8 Ų168.883%0.82782%0.82SS**SBendtrans-114.7-4.6-168-137.2-173.4142.200117.6
64K38.2Very low40.3Very low192 Ų192171.3 Ų171.384%0.83583%0.829SS**  trans-14674-176.8-68.2-167.2178.4-171.30114.1
65T41.2Very low39.2Very low131 Ų131172.1 Ų172.180%0.80483%0.831SS**  trans-146.257.6161-40.60000111
66V37.5Very low38.7Very low141 Ų141172.9 Ų172.986%0.85583%0.834SS**  trans-139.985.8158.1178.90000106.3
67E39.6Very low38.1Very low198 Ų198170 Ų17093%0.92582%0.824SS**  trans-153.3130.4151.3-115.7174.5177.800110.6
68K38.9Very low37.8Very low200 Ų200176.4 Ų176.487%0.8784%0.837SS**  trans-78.7132.5-161.5-84168.9166.6169.30111.8G70K68-G70 PolarHBondContact O-N 3.03Å
69K32.6Very low37.7Very low201 Ų201174.1 Ų174.187%0.87484%0.836SS**  46.971.6120-146.5-178.6-171.2-178.30116.2
70G36.4Very low37.4Very low77 Ų77171.7 Ų171.779%0.79483%0.833SS**  trans-108.4102161.300000111.1K68K68-G70 PolarHBondContact O-N 3.03Å
71K31.2Very low37.2Very low195 Ų195165.4 Ų165.485%0.84883%0.826SS**  trans-68.4140.4160.4-71.2178.5172.6179.50107.4
72T39.2Very low36.7Very low144 Ų144165.9 Ų165.988%0.88383%0.828SS**  176.5142.8126.5-66.20000111
73K31.1Very low36.9Very low196 Ų196163.8 Ų163.885%0.85283%0.825SS**  trans-85.3120.8-172.3-176.5-171.3-170.1-175.80109.4
74K37.6Very low37Very low210 Ų210161 Ų16191%0.91382%0.822SS**  trans-166.2127.5146.6-114.5174.9-178.1-178.80111.7
75K31.2Very low36.8Very low171 Ų171160.9 Ų160.974%0.74383%0.825SS**  trans-75.9112.5179.7178.8-168.8179.5-142.20107.6E77K75-E77 IonicContact NZ-OE2 2.79Å; K75-E77 PolarHBondContact NZ-OE2 3.3Å
76E40.2Very low36.5Very low183 Ų183163.1 Ų163.186%0.85583%0.826SS**  trans-94.399.7165.3-150.8-178.1170.100108.4
77E31.1Very low36.4Very low132 Ų132164 Ų16462%0.61783%0.825SS**  trans-82.7123.8172.5179.8177.914100107.4K75K75-E77 IonicContact NZ-OE2 2.79Å; K75-E77 PolarHBondContact NZ-OE2 3.3Å
78K39.6Very low36.4Very low186 Ų186161.5 Ų161.581%0.80982%0.818SS**  trans-155.6140.1149.7-108.6158.7-167.4176.70112.4
79P42.4Very low36.3Very low116 Ų116160 Ų16075%0.75382%0.819SS**  trans-97.7159.9-154.92.820.1000112.8G81P79-G81 PolarHBondContact O-N 3.37Å
80N38Very low36.5Very low158 Ų158156 Ų15685%0.84581%0.813SS**  trans-51112.4175.2-157.813.8000112.4K82N80-K82 PolarHBondContact O-N 3.2Å
81G38.1Very low36.5Very low70 Ų70158.7 Ų158.772%0.72281%0.81SS**  trans-68.9118.4167.700000110.4P79P79-G81 PolarHBondContact O-N 3.37Å
82K31.8Very low36.9Very low195 Ų195156.1 Ų156.185%0.84881%0.81SS**  trans-75.4131.3167.8-66.9174.5175.7-179.60109.1N80N80-K82 PolarHBondContact O-N 3.2Å
83I41.6Very low36.8Very low167 Ų167154.1 Ų154.186%0.85680%0.798SS**  trans-136120.3143.9-45.5178.6000108.5
84P39Very low37.1Very low118 Ų118152.1 Ų152.177%0.76680%0.795SS**  trans-66.9175.1-177.4-26.636.9000118.2
85E33.9Very low37.2Very low190 Ų190148.7 Ų148.789%0.88879%0.785SS**PPolyproline II helixtrans-60.5160.2-170.2-59.3-174.813300116.9
86H36.1Very low37.2Very low178 Ų178147.5 Ų147.582%0.82479%0.786SS**PPolyproline II helixtrans-62.6116.2175-129.3-82.4000111.6
87D36Very low37Very low158 Ų158148 Ų14885%0.84579%0.786SS**PPolyproline II helixtrans-77.1135.1162-103.8-53.1000110.1
88L37.6Very low37.1Very low147 Ų147149.8 Ų149.877%0.7779%0.794SS**PPolyproline II helixtrans-97119.2179.5-73.6163.5000108.1P90L88-P90 VanDerWaalsContact O-CD 3.26Å; L88-P90 WeakPolarHBondContact O-CD 3.39Å
89D38.1Very low36.9Very low168 Ų168146.5 Ų146.590%0.89879%0.791SS**PPolyproline II helixtrans-74.7120161.5-79.6-50.2000109.9
90P36.8Very low36.6Very low116 Ų116148 Ų14875%0.75380%0.798SS**  trans-108.192.3178.633.1-17.9000110.1L88L88-P90 VanDerWaalsContact O-CD 3.26Å; L88-P90 WeakPolarHBondContact O-CD 3.39Å
91N37.1Very low36.1Very low135 Ų135150.7 Ų150.772%0.72280%0.796SS**  trans-161.781.3162.9-145.3-16.7000114.6
92V37.8Very low35.7Very low141 Ų141154.2 Ų154.286%0.85580%0.804SS**  trans-133.790.2152.3-175.20000107.9I94V92-I94 PolarHBondContact O-N 3.47Å
93T36.8Very low35.7Very low102 Ų102150.2 Ų150.263%0.62680%0.8SS**  trans-46.5113.1171-58.60000111.3I95T93-I95 HydrophobicContact CG2-CG1 3.96Å; T93-I95 PolarHBondContact O-N 3.17Å; T93-I95 VanDerWaalsContact O-N 3.11Å
94I37.9Very low35.1Very low154 Ų154147.2 Ų147.279%0.7980%0.801SS**  trans-74.695.3165.7-62-175.7000106.8V92 L96V92-I94 PolarHBondContact O-N 3.47Å; I94-L96 PolarHBondContact O-N 3.42Å; I94-L96 VanDerWaalsContact O-N 3.08Å
95I39.9Very low35Very low137 Ų137147.5 Ų147.570%0.70380%0.8SS**  trans-69.6103.5167.4-61-178.8000107.4T93 K97T93-I95 HydrophobicContact CG2-CG1 3.96Å; T93-I95 PolarHBondContact O-N 3.17Å; T93-I95 VanDerWaalsContact O-N 3.11Å; I95-K97 PolarHBondContact O-N 2.99Å; I95-K97 VanDerWaalsContact O-N 3.12Å
96L32.5Very low34.9Very low146 Ų146143.1 Ų143.176%0.76480%0.796SS**  trans-72.194.1174.5-156.9153.5000107.4I94 E98I94-L96 PolarHBondContact O-N 3.42Å; I94-L96 VanDerWaalsContact O-N 3.08Å; L96-E98 PolarHBondContact O-N 2.88Å
97K35.4Very low34.9Very low194 Ų194141 Ų14184%0.84380%0.795SS**  trans-66.1112.7174.8-85.1166106.3166.10109.4I95I95-K97 PolarHBondContact O-N 2.99Å; I95-K97 VanDerWaalsContact O-N 3.12Å
98E32.2Very low34.7Very low170 Ų170137.6 Ų137.679%0.79479%0.789SS**  trans-60.2146.9170.6-82.4179.1139.100112.2L96 V100L96-E98 PolarHBondContact O-N 2.88Å; E98-V100 PolarHBondContact O-N 3.4Å
99P36Very low34.6Very low116 Ų116136.7 Ų136.775%0.75379%0.792SS**  trans-81.7113.1-176.131.7-33.9000112.1R101P99-R101 PolarHBondContact O-N 3.03Å
100V35.3Very low34.4Very low147 Ų147135.4 Ų135.489%0.89179%0.791SS**  trans-67.6119.1168.3178.60000109.2E98E98-V100 PolarHBondContact O-N 3.4Å
101R27.9Very low34.1Very low215 Ų215135.4 Ų135.481%0.81179%0.793SS**  trans-83.7160.1170.1-61.1-171.2-172.9-152.73.9110.4P99P99-R101 PolarHBondContact O-N 3.03Å
102V30Very low33.8Very low145 Ų145135.2 Ų135.288%0.87980%0.796SS**  trans75.3108.4161.6-59.90000119.4
103S31.2Very low33.5Very low111 Ų111137.4 Ų137.478%0.77680%0.797SS**  -154.5111.2124.1-163.20000109.3
104A29.6Very low33.2Very low104 Ų104138.4 Ų138.486%0.8681%0.808SS**  trans-84.3116.8171.500000107.7
105V36.9Very low32.8Very low124 Ų124136.6 Ų136.675%0.75281%0.81SS**  trans-109.9108.6167.1-178.70000107.4V107V105-V107 HydrophobicContact CG1-CG2 4.38Å
106A31.1Very low32.6Very low98 Ų98136 Ų13681%0.8181%0.812SS**  trans-66.3130.1168.100000109.6
107V36.1Very low32.6Very low133 Ų133132.6 Ų132.681%0.80681%0.812SS**  trans-129118161.8-1750000107.2V105V105-V107 HydrophobicContact CG1-CG2 4.38Å
108A32.5Very low32.3Very low87 Ų87132 Ų13272%0.71981%0.812SS**PPolyproline II helixtrans-71.2148.6-174.900000112.4
109P34.7Very low32.2Very low128 Ų128130.4 Ų130.483%0.83181%0.814SS**PPolyproline II helixtrans-86129.4175.932.5-30.9000111.8
110T34.4Very low32.2Very low141 Ų141130.3 Ų130.387%0.86581%0.813SS**PPolyproline II helixtrans-81.6121.7171.543.90000111.3
111S30.2Very low32Very low115 Ų115131.7 Ų131.780%0.80481%0.814SS**PPolyproline II helixtrans-75.2136172-179.60000111.3
112V32.4Very low32.3Very low131 Ų131125.3 Ų125.379%0.79481%0.807SS**  trans-135.2134.6165-82.50000110.8
113H30.3Very low32.3Very low187 Ų187124.4 Ų124.487%0.86680%0.802SS**  trans-48.1135.4-174.4-86.1-143.3000115
114S30.9Very low32.4Very low123 Ų123125.9 Ų125.986%0.8681%0.806SS**  trans-124.5111.4158.9-56.50000108.6
115S29.9Very low32.6Very low117 Ų117126.5 Ų126.582%0.81880%0.801SS**  trans-108110174.4-174.70000108
116V36.1Very low32.2Very low124 Ų124124.7 Ų124.775%0.75280%0.799SS**  trans-144.7116.1163.1-1740000107.6
117G31Very low32Very low74 Ų74127 Ų12776%0.76380%0.795SS**  trans-67.9143.2-179.900000113
118H30.3Very low32Very low181 Ų181127.1 Ų127.184%0.83880%0.798SS**  trans-122.1126.7166.8-79-100.6000108.2
119T30.6Very low31.7Very low138 Ų138129.3 Ų129.385%0.84779%0.794SS**  trans-109.8159.7170.548.20000110.3
120P35.2Very low31.4Very low113 Ų113131.2 Ų131.273%0.73479%0.792SS**  trans-102.5150.5-134.437.2-34.3000113.9
121I31.7Very low31.3Very low177 Ų177134.2 Ų134.291%0.90879%0.793SS**  trans-116.8111.1155.3-62.9176.2000106.6
122A32.8Very low31.3Very low80 Ų80137.7 Ų137.766%0.66180%0.801SS**  trans-88128-174.900000111.8
123T30.2Very low31.4Very low126 Ų126135.9 Ų135.977%0.77380%0.8SS**  57108.9129.5-37.40000120.2
124V33.6Very low31.3Very low142 Ų142132.2 Ų132.286%0.86180%0.796SS**  trans-138139.5141.7178.10000107.6
125P34.3Very low31.2Very low117 Ų117131.8 Ų131.876%0.7679%0.793SS**  trans-92.9164.8-143.635.5-34000115.5
126A29.1Very low31.8Very low87 Ų87131.8 Ų131.872%0.71979%0.79SS**  trans-90.6146-176.100000112.8
127M26.7Very low31.7Very low146 Ų146135 Ų13572%0.71979%0.794SS**  trans69.1133.2151.5-57.8-171.6114.800118Q129M127-Q129 HydrophobicContact CE-CG 4.21Å; M127-Q129 VanDerWaalsContact CE-OE1 3.23Å
128P34.6Very low32Very low135 Ų135137.9 Ų137.988%0.87779%0.792SS**  -133.714485.821.6-1.3000114.8
129Q27.3Very low32.3Very low133 Ų133140.7 Ų140.762%0.62180%0.795SS**  trans-73.1159.7168.8-112168.9-65.600111.9M127M127-Q129 HydrophobicContact CE-CG 4.21Å; M127-Q129 VanDerWaalsContact CE-OE1 3.23Å
130E27.3Very low32.6Very low168 Ų168144.2 Ų144.279%0.78580%0.798SS**  trans71.2116.6148.7-68.5-179.3134.600119.7
131K33.8Very low32.5Very low205 Ų205146.7 Ų146.789%0.89180%0.798SS**  -167.5107.8115.9-101.2-178.2-167.4-170.90110.4
132L28.6Very low32.6Very low187 Ų187147.5 Ų147.598%0.97979%0.794SS**  trans-82.1116.8153.6-77.5166.2000106.4
133A34.9Very low32.7Very low94 Ų94150.4 Ų150.478%0.77779%0.794SS**  trans-126.9127.2169.400000109.8
134S29.5Very low33.2Very low110 Ų110153.2 Ų153.277%0.76980%0.796SS**  trans-81.9162.1-178.149.40000113.9
135S28.2Very low33.4Very low114 Ų114155.8 Ų155.880%0.79780%0.795SS**  trans114.2150.4135.7-78.70000120.3
136P42.4Very low33.4Very low116 Ų116156.7 Ų156.775%0.75380%0.798SS**  trans-124.1148.2-146.632.6-12.7000115.8
137K34.2Very low34Very low193 Ų193157.3 Ų157.384%0.83980%0.804SS**  trans-168138.2171.1-102.4169.7-179.9174.90105.2
138D37Very low34.5Very low134 Ų134157.9 Ų157.972%0.71780%0.802SS**  cis-156.4133.539.8-81.9-60.5000109.1
139R35.5Very low34.5Very low240 Ų240158.4 Ų158.491%0.90680%0.802SS**  42.8101.794-74.3-169.5160.7-158.7-2.9115.7
140K38.2Very low35Very low212 Ų212159 Ų15992%0.92281%0.805SS**  trans-149.1114.4132-159.3159.9-180172.40112.7
141K31.8Very low35.5Very low165 Ų165156.5 Ų156.572%0.71780%0.803SS**  trans-68.1133.3171.5-176.7-178.3179.3-168.70109.7E143K141-E143 WeakPolarHBondContact CE-OE2 3.5Å; K141-E143 IonicContact NZ-OE2 3.05Å; K141-E143 PolarHBondContact NZ-OE2 3.45Å
142K35Very low35.6Very low193 Ų193151.4 Ų151.484%0.83980%0.8SS**  trans-143.696.4152.3-157.7172.1-174.7176.80109.5
143E34.1Very low35.9Very low141 Ų141148.6 Ų148.666%0.65979%0.79SS**  trans-59.5141158.5-73.3173.974.600109.8K141K141-E143 WeakPolarHBondContact CE-OE2 3.5Å; K141-E143 IonicContact NZ-OE2 3.05Å; K141-E143 PolarHBondContact NZ-OE2 3.45Å
144K41.8Very low36Very low185 Ų185149.4 Ų149.480%0.80479%0.79SS**  trans-156.8112.1143-112.6-179.4-176.7-170.60111.1
145K37.6Very low36.3Very low196 Ų196148.8 Ų148.885%0.85279%0.786SS**  trans52.8103.6144.4-65.4-164175.7-167.30119.9
146V34.7Very low36.8Very low136 Ų136151.3 Ų151.382%0.82479%0.789SS**  trans-36.8125.6139.5179.90000111.7K148V146-K148 HydrophobicContact CG1-CB 4.18Å
147A41.2Very low36.5Very low100 Ų100151.7 Ų151.783%0.82679%0.789SS**  trans-115.9111.5150.400000106.7
148K36.7Very low36.3Very low159 Ų159149.5 Ų149.569%0.69179%0.786SS**  trans-89.7116.1178.2170.2173.6173.5178.20107.1V146 E150V146-K148 HydrophobicContact CG1-CB 4.18Å; K148-E150 WeakPolarHBondContact CE-OE1 3.31Å; K148-E150 IonicContact NZ-OE1 3.94Å
149V34.9Very low36.3Very low145 Ų145147.6 Ų147.688%0.87978%0.783SS**  trans-133.3131.8158.8177.30000107.2
150E36.9Very low36.4Very low147 Ų147143.4 Ų143.469%0.68778%0.777SS**PPolyproline II helixtrans-81.1155.6-156.7-58.5-167.4143.500113.9K148K148-E150 WeakPolarHBondContact CE-OE1 3.31Å; K148-E150 IonicContact NZ-OE1 3.94Å
151P39Very low36.2Very low114 Ų114141.2 Ų141.274%0.7477%0.77SS**PPolyproline II helixtrans-87.4123.5177.533.5-29.8000111.1V153P151-V153 PolarHBondContact O-N 2.77Å
152A35.4Very low36.2Very low99 Ų99140 Ų14082%0.81878%0.776SS**PPolyproline II helixtrans-69.8117.1169.200000110.1
153V34Very low36.3Very low128 Ų128138.2 Ų138.278%0.77678%0.775SS**PPolyproline II helixtrans-84.8119.5172.4178.90000107.4P151P151-V153 PolarHBondContact O-N 2.77Å
154S37.1Very low36.3Very low110 Ų110136 Ų13677%0.76978%0.781SS**  trans-12089.5169.2-440000107.9
155S37Very low35.9Very low98 Ų98133 Ų13369%0.68578%0.783SS**  trans-83108.7172.153.20000109.3
156I39.2Very low35.9Very low167 Ų167133.3 Ų133.386%0.85678%0.784SS**  trans-102.5120.9163.9-64.2176.5000107.5
157V34.5Very low35.8Very low124 Ų124132 Ų13275%0.75278%0.782SS**  trans-71.2129.1-171.7169.80000110.4
158N31.4Very low35.5Very low146 Ų146132.2 Ų132.278%0.78178%0.783SS**  trans-92.6112.1171.9-173.110.9000107.8
159S36.1Very low35.3Very low95 Ų95131.9 Ų131.966%0.66479%0.787SS**  trans-145.182174.4-154.60000109.2
160I37.6Very low35.3Very low152 Ų152133.5 Ų133.578%0.77979%0.79SS**  trans-102.1103.2169.2-62.5-177.1000106.6
161Q35.2Very low34.9Very low165 Ų165134.9 Ų134.977%0.77180%0.796SS**  trans-69.6133.1173.9-76.6-176.39.800110.6
162V31Very low34.7Very low139 Ų139133.9 Ų133.984%0.84280%0.798SS**  trans-79.2110.8174.6171.40000108.2
163L36.3Very low34.7Very low157 Ų157135.6 Ų135.682%0.82280%0.798SS**  trans-96.5112.5167.4-79.5162.6000108.9S165L163-S165 PolarHBondContact O-N 2.97Å
164A34.7Very low34.5Very low94 Ų94135.1 Ų135.178%0.77780%0.798SS**  trans-74.9110.6173.500000109.9
165S34.5Very low34.4Very low121 Ų121140 Ų14085%0.84681%0.805SS**PPolyproline II helixtrans-80.1123.6173-57.60000110.4L163L163-S165 PolarHBondContact O-N 2.97Å
166K36.4Very low34.2Very low203 Ų203143.6 Ų143.688%0.88381%0.812SS**PPolyproline II helixtrans-65.1140.7178.9-73.4176.9173.8-177.90112.3
167S32Very low33.8Very low110 Ų110141 Ų14177%0.76980%0.803SS**PPolyproline II helixtrans-53.7129.7163.245.70000113.5
168A36.6Very low33.8Very low104 Ų104140.8 Ų140.886%0.8680%0.804SS**  trans-127.7117.2157.800000108.5
169I32.2Very low34.1Very low152 Ų152142.7 Ų142.778%0.77981%0.811SS**  trans-93.3121.9175.8-60.8164.5000105.4
170L35.1Very low33.9Very low178 Ų178145 Ų14593%0.93282%0.821SS**  trans-135.5117.9159.7-96.8169.5000108.9
171E27.1Very low33.8Very low176 Ų176142 Ų14282%0.82282%0.818SS**  trans-67.4175170.7-76.1-179.5114.600112.7
172A35Very low33.5Very low94 Ų94140.3 Ų140.378%0.77782%0.819SS**  trans87.2125.7164.400000114.8
173T36.6Very low33.7Very low134 Ų134138.8 Ų138.882%0.82281%0.812SS**  cis-160.51617.538.10000108.7
174P30.1Very low33.8Very low119 Ų119137 Ų13777%0.77381%0.81SS**  trans-105.9117.9-174.635.3-24.5000113.7
175K34.4Very low33.5Very low211 Ų211140.1 Ų140.192%0.91782%0.819SS**  trans-157.9129160.3-62.4-172.8-179.7177.40104.2
176E31.8Very low33.3Very low175 Ų175137.1 Ų137.182%0.81881%0.807SS**  cis-166.4155.243.2-116.4-144.712700109.6
177V32.3Very low33.2Very low113 Ų113132.7 Ų132.769%0.68580%0.801SS**  trans19.5132.1151-166.10000121.2
178P34.4Very low33.1Very low119 Ų119137.4 Ų137.477%0.77381%0.808SS**  trans-82.7119.6-175.133.2-32.8000113.2
179M36.3Very low32.8Very low185 Ų185137 Ų13791%0.91181%0.805SS**  trans-102127.8159.7-94-170164.800110.7A181M179-A181 PolarHBondContact O-N 3.02Å
180V32.3Very low32.8Very low145 Ų145134.1 Ų134.188%0.87980%0.798SS**  trans-66.294.3176.3-179.90000109
181A36.1Very low33Very low88 Ų88128.8 Ų128.873%0.72778%0.776SS**  trans-115.5108.3163.200000108.1M179M179-A181 PolarHBondContact O-N 3.02Å
182V29.6Very low33.7Very low130 Ų130126 Ų12679%0.78877%0.773SS**PPolyproline II helixtrans-50.5120.5176.2177.90000108.6
183P34Very low34.4Very low106 Ų106124.8 Ų124.869%0.68876%0.763SS**PPolyproline II helixtrans-62.9142.6179.923.8-31.6000109.8
184P37.8Very low35.4Very low120 Ų120121.8 Ų121.878%0.77975%0.745SS**PPolyproline II helixtrans-62.2149.3-17828.5-33.8000109G186P184-G186 PolarHBondContact O-N 2.81Å
185V28.9Very low36.6Very low160 Ų160120.3 Ų120.397%0.9774%0.737SS**  trans-68.264.4174.5-139.60000108.6S187V185-S187 PolarHBondContact O-N 2.98Å
186G30.1Very low37.9Very low57 Ų57112 Ų11259%0.58871%0.705SS**  trans-79.3109.3-175.200000109.5P184P184-G186 PolarHBondContact O-N 2.81Å
187S35.4Very low39.1Very low110 Ų110111.2 Ų111.277%0.76970%0.702SS**  trans46.392.9146.3-46.70000114.2V185 A189V185-S187 PolarHBondContact O-N 2.98Å; S187-A189 PolarHBondContact O-N 3Å
188K28.7Very low40Very low209 Ų209107.2 Ų107.291%0.90968%0.684SS**  trans-56.691.9160.9-66.4-137.4-174.5174.30108.2S190K188-S190 PolarHBondContact O-N 3Å
189A31.8Very low40.9Very low97 Ų97110.2 Ų110.280%0.80269%0.685SS**  trans-63.591.4162.900000105.8S187 S191S187-A189 PolarHBondContact O-N 3Å; A189-S191 VanDerWaalsContact C-N 3.34Å; A189-S191 PolarHBondContact O-N 3.02Å
190S31Very low41.3Very low91 Ų91110.2 Ų110.264%0.63668%0.679SS**  trans-61.4103.1163.243.80000106K188K188-S190 PolarHBondContact O-N 3Å
191S39Very low42Very low65 Ų65105.1 Ų105.146%0.45566%0.656SS.*PPolyproline II helixtrans-56.2132.7167.750.60000108A189A189-S191 VanDerWaalsContact C-N 3.34Å; A189-S191 PolarHBondContact O-N 3.02Å
192P43Very low42.8Very low118 Ų118110.1 Ų110.177%0.76666%0.664SS**PPolyproline II helixtrans-58.7139.1-170.320.4-31.4000112.1T194P192-T194 PolarHBondContact O-N 2.95Å
193A48.2Very low44.1Very low69 Ų69105.7 Ų105.757%0.5765%0.645SS**PPolyproline II helixtrans-58.7119.3174.700000110.2S195A193-S195 PolarHBondContact O-N 3.04Å
194T57.6Low45.7Very low71 Ų71102.2 Ų102.244%0.43663%0.625SS.*  trans-78.6105.1174.454.20000108.6P192 Q215P192-T194 PolarHBondContact O-N 2.95Å; T194-Q215 PolarHBondContact O-N 3.29Å
195S55.3Low47.1Very low87 Ų87101.3 Ų101.361%0.60861%0.611SS**EExtended strand (participates in β ladder)trans-106.9133.9170.971.70000110A193 Q215A193-S195 PolarHBondContact O-N 3.04Å; S195-Q215 WeakPolarHBondContact CA-O 2.89Å
196S61.9Low49.1Very low36 Ų3694.9 Ų94.925%0.25257%0.571SS.*EExtended strand (participates in β ladder)trans-118.2127.8172.281.40000109.9A204 Q215 N216 Q217S196-A204 VanDerWaalsContact OG-CB 3.23Å; S196-A204 WeakPolarHBondContact OG-CB 3.45Å; S196-Q215 PolarHBondContact N-O 3.37Å; S196-N216 PolarHBondContact OG-OD1 2.98Å; S196-Q217 PolarHBondContact O-N 2.84Å; S196-Q217 VanDerWaalsContact O-N 3.11Å
197Q56.9Low51Low159 Ų15998.8 Ų98.874%0.74357%0.574SS**EExtended strand (participates in β ladder)trans-121.1116.2174.7-72.3-170.2-2.900109.5
198G52Low52.4Low30 Ų3095 Ų9531%0.30955%0.549SS..EExtended strand (participates in β ladder)trans-122.713017900000112.5K200 Q217G198-K200 VanDerWaalsContact C-N 3.3Å; G198-Q217 PolarHBondContact N-O 3.29Å
199K52.2Low53.9Low182 Ų18293.1 Ų93.179%0.79154%0.541SS*.SBendtrans-70.5-28.6168.9-77.1179.8-177173.40111.9
200K45.3Very low55.1Low185 Ų18596.1 Ų96.180%0.80454%0.536SS*.SBendtrans-161.890.5-179.9-114.5-177.5171.7-1730105.6G198G198-K200 VanDerWaalsContact C-N 3.3Å
201G48.2Very low56.1Low37 Ų3792.9 Ų92.938%0.38152%0.517SS..  trans-128.7120.2-177.400000109.9G203G201-G203 PolarHBondContact O-N 3.42Å
202Q53Low56.9Low193 Ų19396 Ų9690%0.90253%0.525SS*.SBendtrans-60.7126.8163.8-70.2171.4000108A204Q202-A204 PolarHBondContact O-N 3.08Å
203G56.6Low57.7Low38 Ų3891.6 Ų91.639%0.39250%0.501SS..  trans39.971.6161.100000118.3G201 Q205 E222G201-G203 PolarHBondContact O-N 3.42Å; G203-Q205 PolarHBondContact O-N 3.5Å; G203-Q205 VanDerWaalsContact O-N 3.12Å; G203-E222 WeakPolarHBondContact CA-O 3.34Å; G203-E222 PolarHBondContact N-O 2.88Å
204A66Low58.6Low33 Ų3389 Ų8927%0.27348%0.48SS..  trans-62.5115.816700000110S196 Q202 A224 Q225S196-A204 VanDerWaalsContact OG-CB 3.23Å; S196-A204 WeakPolarHBondContact OG-CB 3.45Å; Q202-A204 PolarHBondContact O-N 3.08Å; A204-A224 WeakPolarHBondContact O-CA 3.29Å; A204-Q225 PolarHBondContact O-N 3.2Å
205Q68.7Low59.3Low101 Ų10188.7 Ų88.747%0.47247%0.473SS..EExtended strand (participates in β ladder)trans-112.9115.7178.2-170.4179.7-3.800110.4G203 Q225G203-Q205 PolarHBondContact O-N 3.5Å; G203-Q205 VanDerWaalsContact O-N 3.12Å; Q205-Q225 CarbonylContact C-O 3.58Å; Q205-Q225 VanDerWaalsContact CA-O 3.26Å; Q205-Q225 WeakPolarHBondContact CA-O 2.94Å; Q205-Q225 HydrophobicContact CG-CB 4.19Å
206N70.8Confident60.1Low24 Ų2484.9 Ų84.913%0.12845%0.446CS..EExtended strand (participates in β ladder)trans-108.4127.6173.6-57.2-48.1000110A214 N216 Q225 N226 Q227N206-A214 HydrophobicContact CB-CB 3.99Å; N206-N216 PolarHBondContact ND2-ND2 2.95Å; N206-N216 PolarHBondContact ND2-OD1 2.99Å; N206-Q225 PolarHBondContact N-O 3.12Å; N206-N226 WeakPolarHBondContact CB-OD1 3.48Å; N206-N226 PolarHBondContact ND2-OD1 3.02Å; N206-N226 WeakPolarHBondContact O-CA 2.88Å; N206-Q227 PolarHBondContact O-N 3.49Å
207Q69.2Low60.5Low139 Ų13986.6 Ų86.665%0.6545%0.45SS*.EExtended strand (participates in β ladder)trans-119.1120.6172.3-62.4-171.421.300110.4Q227Q207-Q227 WeakPolarHBondContact CA-O 3.33Å; Q207-Q227 HydrophobicContact CG-CB 4.35Å
208A64.5Low60.8Low30 Ų3080.1 Ų80.125%0.24843%0.426CS..EExtended strand (participates in β ladder)trans-122.2130.6178.100000111.9Q227 A228 K229A208-Q227 PolarHBondContact N-O 3.23Å; A208-A228 WeakPolarHBondContact O-CA 3.29Å; A208-K229 PolarHBondContact O-N 2.88Å; A208-K229 VanDerWaalsContact O-N 3.16Å
209K60.9Low61.3Low171 Ų17184.6 Ų84.674%0.74344%0.437SS*.SBendtrans-75.1-38.8174.2-73.6-179.6-177.9172.70111.7K229K209-K229 WeakPolarHBondContact O-CB 3.45Å
210K56.5Low61.6Low159 Ų15982 Ų8269%0.69143%0.426SS*.SBendtrans-152.9129.1170.4-78.7179.1179.5174.50105.4K230K210-K230 WeakPolarHBondContact CA-O 3.34Å
211G51.9Low62.1Low24 Ų2474.5 Ų74.525%0.24740%0.4CS..  trans178.8148177.100000112.8K230 G231G211-K230 PolarHBondContact N-O 2.87Å; G211-G231 VanDerWaalsContact O-CA 3.31Å; G211-G231 WeakPolarHBondContact O-CA 3Å
212E56.7Low62.6Low130 Ų13079 Ų7961%0.60741%0.411SS*.SBendtrans-76.2133167-73.9171.5152.300109.6
213G59.3Low63Low26 Ų2671.2 Ų71.227%0.26838%0.383SS..  trans68.361.6147.400000118.5Q215 E232 G233G213-Q215 PolarHBondContact O-N 3.1Å; G213-E232 PolarHBondContact N-O 2.85Å; G213-G233 WeakPolarHBondContact CA-O 3.25Å
214A68.2Low63.7Low15 Ų1570.3 Ų70.312%0.12437%0.372CS..  trans-68.6113.8164.300000109.8N206 N226 A234 Q235N206-A214 HydrophobicContact CB-CB 3.99Å; A214-N226 HydrophobicContact CB-CB 4.28Å; A214-A234 WeakPolarHBondContact O-CA 3.22Å; A214-Q235 PolarHBondContact O-N 3.13Å
215Q71.3Confident64.1Low64 Ų6471.6 Ų71.630%0.29937%0.372SS..EExtended strand (participates in β ladder)trans-119.3119-177.1-164.2-174.8-76.500111.5T194 S195 S196 G213 Q217 Q235T194-Q215 PolarHBondContact O-N 3.29Å; S195-Q215 WeakPolarHBondContact CA-O 2.89Å; S196-Q215 PolarHBondContact N-O 3.37Å; G213-Q215 PolarHBondContact O-N 3.1Å; Q215-Q217 HydrophobicContact CG-CG 4.38Å; Q215-Q235 VanDerWaalsContact CA-O 3.32Å; Q215-Q235 WeakPolarHBondContact CA-O 2.95Å; Q215-Q235 HydrophobicContact CG-CB 4.3Å
216N71.6Confident64.4Low7 Ų767 Ų674%0.03735%0.351CS..EExtended strand (participates in β ladder)trans-111.5123.5174.2-60.6-45.8000110.1S196 N206 A224 N226 Q235 N236 Q237S196-N216 PolarHBondContact OG-OD1 2.98Å; N206-N216 PolarHBondContact ND2-ND2 2.95Å; N206-N216 PolarHBondContact ND2-OD1 2.99Å; N216-A224 HydrophobicContact CB-CB 4.23Å; N216-N226 PolarHBondContact ND2-ND2 2.74Å; N216-N226 PolarHBondContact ND2-OD1 3.37Å; N216-Q235 PolarHBondContact N-O 2.82Å; N216-N236 WeakPolarHBondContact CB-OD1 3.34Å; N216-N236 PolarHBondContact ND2-OD1 2.87Å; N216-N236 WeakPolarHBondContact O-CA 3.11Å; N216-Q237 PolarHBondContact O-N 3.43Å
217Q70.8Confident64.5Low71 Ų7169.3 Ų69.333%0.33236%0.36SS..EExtended strand (participates in β ladder)trans-124.2128.3174.3-61.4-165.38.600111.5S196 G198 Q215 Q237S196-Q217 PolarHBondContact O-N 2.84Å; S196-Q217 VanDerWaalsContact O-N 3.11Å; G198-Q217 PolarHBondContact N-O 3.29Å; Q215-Q217 HydrophobicContact CG-CG 4.38Å; Q217-Q237 WeakPolarHBondContact CA-O 3.34Å; Q217-Q237 HydrophobicContact CG-CB 4.28Å
218G63.4Low64.4Low23 Ų2364.1 Ų64.124%0.23734%0.342CS..EExtended strand (participates in β ladder)trans-143.5145.1-178.200000114.8Q237 A238 K239G218-Q237 PolarHBondContact N-O 2.97Å; G218-A238 WeakPolarHBondContact O-CA 3.44Å; G218-K239 PolarHBondContact O-N 3.38Å
219K62.8Low64.4Low125 Ų12568.4 Ų68.454%0.54336%0.355SS..EExtended strand (participates in β ladder)trans-73.7-40.6170.4-72.1-173-176.4-178.60111.5K239 K240K219-K239 WeakPolarHBondContact O-CB 3.42Å; K219-K240 PolarHBondContact O-N 3.42Å
220K57.9Low64.3Low128 Ų12866 Ų6656%0.55734%0.344SS*.EExtended strand (participates in β ladder)trans-136.1124.6169.6-73.3-176.9179.1-178.20106.9K240K220-K240 VanDerWaalsContact CA-O 3.31Å; K220-K240 WeakPolarHBondContact CA-O 3.42Å
221G55.9Low64.4Low26 Ų2659.5 Ų59.527%0.26832%0.322SS..  trans-153.3122.7176.800000110.4K240 G241G221-K240 PolarHBondContact N-O 3.19Å; G221-G241 WeakPolarHBondContact O-CA 3.11Å
222E59Low64.8Low133 Ų13363.6 Ų63.662%0.62134%0.335SS*.SBendtrans-91.7134.4164.7-77.2163.3-167.900107.7G203 E242G203-E222 WeakPolarHBondContact CA-O 3.34Å; G203-E222 PolarHBondContact N-O 2.88Å; E222-E242 HydrophobicContact CG-CB 4.44Å
223G61.5Low65.1Low29 Ų2958.9 Ų58.930%0.29932%0.322SS..  trans71.236.8160.300000117.3Q225 E242G223-Q225 PolarHBondContact O-N 3.33Å; G223-E242 PolarHBondContact N-O 3.44Å
224A72Confident65.8Low19 Ų1958.6 Ų58.616%0.15732%0.317CS..  trans-63.1122.1170.400000110.3A204 N216 A244 Q245A204-A224 WeakPolarHBondContact O-CA 3.29Å; N216-A224 HydrophobicContact CB-CB 4.23Å; A224-A244 CarbonylContact O-C 3.6Å; A224-A244 WeakPolarHBondContact O-CA 3.15Å; A224-Q245 PolarHBondContact O-N 2.91Å
225Q73.8Confident66.2Low60 Ų6059.7 Ų59.728%0.2832%0.319SS..EExtended strand (participates in β ladder)trans-122.7120.6-175.8-71.6-172.3-20.600111.4A204 Q205 N206 G223 Q245A204-Q225 PolarHBondContact O-N 3.2Å; Q205-Q225 CarbonylContact C-O 3.58Å; Q205-Q225 VanDerWaalsContact CA-O 3.26Å; Q205-Q225 WeakPolarHBondContact CA-O 2.94Å; Q205-Q225 HydrophobicContact CG-CB 4.19Å; N206-Q225 PolarHBondContact N-O 3.12Å; G223-Q225 PolarHBondContact O-N 3.33Å; Q225-Q245 CarbonylContact C-O 3.55Å; Q225-Q245 VanDerWaalsContact CA-O 3.31Å; Q225-Q245 WeakPolarHBondContact CA-O 3.37Å; Q225-Q245 HydrophobicContact CG-CB 4.27Å
226N73.9Confident66.4Low5 Ų556.9 Ų56.93%0.02731%0.306CS..EExtended strand (participates in β ladder)trans-111.5126.1170.1-58.7-49.2000110.2N206 A214 N216 A234 N236 Q245 N246 Q247N206-N226 WeakPolarHBondContact CB-OD1 3.48Å; N206-N226 PolarHBondContact ND2-OD1 3.02Å; N206-N226 WeakPolarHBondContact O-CA 2.88Å; A214-N226 HydrophobicContact CB-CB 4.28Å; N216-N226 PolarHBondContact ND2-ND2 2.74Å; N216-N226 PolarHBondContact ND2-OD1 3.37Å; N226-A234 HydrophobicContact CB-CB 4.06Å; N226-N236 PolarHBondContact ND2-ND2 3.27Å; N226-N236 PolarHBondContact ND2-OD1 2.92Å; N226-Q245 PolarHBondContact N-O 3.29Å; N226-N246 WeakPolarHBondContact CB-OD1 3.36Å; N226-N246 PolarHBondContact ND2-OD1 2.71Å; N226-N246 CarbonylContact O-C 3.48Å; N226-N246 WeakPolarHBondContact O-CA 3.47Å; N226-Q247 PolarHBondContact O-N 2.59Å
227Q72.6Confident66.5Low71 Ų7159.5 Ų59.533%0.33232%0.318SS..EExtended strand (participates in β ladder)trans-119.6122.6173-59-172.415.400110.8N206 Q207 A208 Q247N206-Q227 PolarHBondContact O-N 3.49Å; Q207-Q227 WeakPolarHBondContact CA-O 3.33Å; Q207-Q227 HydrophobicContact CG-CB 4.35Å; A208-Q227 PolarHBondContact N-O 3.23Å; Q227-Q247 WeakPolarHBondContact CA-O 3.23Å; Q227-Q247 HydrophobicContact CG-CB 4.32Å
228A67.1Low66.4Low31 Ų3157.4 Ų57.426%0.25631%0.313SS..EExtended strand (participates in β ladder)trans-128.7133.4178.500000112.2A208 Q247 G248 K249A208-A228 WeakPolarHBondContact O-CA 3.29Å; A228-Q247 PolarHBondContact N-O 2.97Å; A228-G248 VanDerWaalsContact O-CA 3.28Å; A228-G248 WeakPolarHBondContact O-CA 3.02Å; A228-K249 PolarHBondContact O-N 2.65Å
229K64.7Low66.5Low120 Ų12061.9 Ų61.952%0.52233%0.326SS..SBendtrans-75-35.9171-73.6-179.2-176.8177.80111.5A208 K209 K249 K250A208-K229 PolarHBondContact O-N 2.88Å; A208-K229 VanDerWaalsContact O-N 3.16Å; K209-K229 WeakPolarHBondContact O-CB 3.45Å; K229-K249 WeakPolarHBondContact O-CB 3.29Å; K229-K250 PolarHBondContact O-N 3.1Å
230K60.2Low66.6Low119 Ų11961.6 Ų61.652%0.51732%0.324SS..SBendtrans-155.4122.4177.3-146.3-175.1-178.2-165.30107.8K210 G211 K250K210-K230 WeakPolarHBondContact CA-O 3.34Å; G211-K230 PolarHBondContact N-O 2.87Å; K230-K250 WeakPolarHBondContact CA-O 3.38Å; K230-K250 HydrophobicContact CG-CB 4.18Å
231G57.6Low66.7Low23 Ų2356 Ų5624%0.23730%0.304CS..EExtended strand (participates in β ladder)trans178.6156.9178.800000113.7G211 K250 G251G211-G231 VanDerWaalsContact O-CA 3.31Å; G211-G231 WeakPolarHBondContact O-CA 3Å; G231-K250 PolarHBondContact N-O 3.33Å; G231-G251 WeakPolarHBondContact O-CA 3.26Å
232E60.9Low67.1Low111 Ų11159.4 Ų59.452%0.51931%0.313SS..EExtended strand (participates in β ladder)trans-96.5140.3172-72.5172.5-166.900109.6G213 E252G213-E232 PolarHBondContact N-O 2.85Å; E232-E252 HydrophobicContact CG-CB 4.44Å
233G63Low67.4Low31 Ų3154.1 Ų54.132%0.3229%0.293SS..  trans80.343.315300000118.4G213 Q235 E252G213-G233 WeakPolarHBondContact CA-O 3.25Å; G233-Q235 PolarHBondContact O-N 3.44Å; G233-E252 PolarHBondContact N-O 3.05Å
234A73.5Confident68.1Low20 Ų2053.7 Ų53.717%0.16529%0.287CS..  trans-69.1117.4169.600000110.6A214 N226 N246 A254 Q255A214-A234 WeakPolarHBondContact O-CA 3.22Å; N226-A234 HydrophobicContact CB-CB 4.06Å; A234-N246 HydrophobicContact CB-CB 4.35Å; A234-A254 CarbonylContact O-C 3.6Å; A234-A254 WeakPolarHBondContact O-CA 3.33Å; A234-Q255 PolarHBondContact O-N 3.26Å
235Q75.7Confident68.3Low38 Ų3855 Ų5518%0.17829%0.29CS..EExtended strand (participates in β ladder)trans-125.5121.3-175.5-169.6179.828.200112.3A214 Q215 N216 G233 Q237 Q255A214-Q235 PolarHBondContact O-N 3.13Å; Q215-Q235 VanDerWaalsContact CA-O 3.32Å; Q215-Q235 WeakPolarHBondContact CA-O 2.95Å; Q215-Q235 HydrophobicContact CG-CB 4.3Å; N216-Q235 PolarHBondContact N-O 2.82Å; G233-Q235 PolarHBondContact O-N 3.44Å; Q235-Q237 HydrophobicContact CG-CG 4.23Å; Q235-Q255 CarbonylContact C-O 3.55Å; Q235-Q255 VanDerWaalsContact CA-O 3.29Å; Q235-Q255 WeakPolarHBondContact CA-O 3.47Å; Q235-Q255 HydrophobicContact CG-CB 4.11Å
236N75.4Confident68.5Low5 Ų552.4 Ų52.43%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-112.5124.6173.3-59.7-51.9000110.1N216 N226 A244 N246 Q255 N256 Q257N216-N236 WeakPolarHBondContact CB-OD1 3.34Å; N216-N236 PolarHBondContact ND2-OD1 2.87Å; N216-N236 WeakPolarHBondContact O-CA 3.11Å; N226-N236 PolarHBondContact ND2-ND2 3.27Å; N226-N236 PolarHBondContact ND2-OD1 2.92Å; N236-A244 HydrophobicContact CB-CB 3.81Å; N236-N246 PolarHBondContact ND2-ND2 2.97Å; N236-N246 PolarHBondContact ND2-OD1 2.96Å; N236-Q255 PolarHBondContact N-O 3.05Å; N236-N256 WeakPolarHBondContact CB-OD1 3.29Å; N236-N256 PolarHBondContact ND2-OD1 2.99Å; N236-N256 CarbonylContact O-C 3.55Å; N236-N256 WeakPolarHBondContact O-CA 3.28Å; N236-Q257 PolarHBondContact O-N 3.08Å
237Q74.3Confident68.6Low62 Ų6255.6 Ų55.629%0.2929%0.293SS..EExtended strand (participates in β ladder)trans-123.2123.5174.8-57.1-172.113.600111.7N216 Q217 G218 Q235 Q257N216-Q237 PolarHBondContact O-N 3.43Å; Q217-Q237 WeakPolarHBondContact CA-O 3.34Å; Q217-Q237 HydrophobicContact CG-CB 4.28Å; G218-Q237 PolarHBondContact N-O 2.97Å; Q235-Q237 HydrophobicContact CG-CG 4.23Å; Q237-Q257 CarbonylContact C-O 3.6Å; Q237-Q257 WeakPolarHBondContact CA-O 3.32Å; Q237-Q257 HydrophobicContact CG-CB 4.27Å
238A68.6Low68.4Low26 Ų2653.3 Ų53.322%0.21529%0.288CS..EExtended strand (participates in β ladder)trans-130.5137.917800000112.8G218 Q257 A258 K259G218-A238 WeakPolarHBondContact O-CA 3.44Å; A238-Q257 PolarHBondContact N-O 3.15Å; A238-A258 WeakPolarHBondContact O-CA 3.39Å; A238-K259 PolarHBondContact O-N 3.08Å
239K66.3Low68.4Low118 Ų11857.1 Ų57.151%0.51330%0.299SS..EExtended strand (participates in β ladder)trans-76.2-38.1169.9-70.2-175.4-177.1-179.70111.8G218 K219 K259 K260G218-K239 PolarHBondContact O-N 3.38Å; K219-K239 WeakPolarHBondContact O-CB 3.42Å; K239-K259 HydrophobicContact CG-CD 4.37Å; K239-K259 WeakPolarHBondContact O-CB 3.27Å; K239-K260 PolarHBondContact O-N 3.19Å
240K63.9Low68.4Low118 Ų11857 Ų5751%0.51330%0.298SS..EExtended strand (participates in β ladder)trans-142.3125.2169.6-167.3-173.9178.9-163.20107.1K219 K220 G221 K260K219-K240 PolarHBondContact O-N 3.42Å; K220-K240 VanDerWaalsContact CA-O 3.31Å; K220-K240 WeakPolarHBondContact CA-O 3.42Å; G221-K240 PolarHBondContact N-O 3.19Å; K240-K260 VanDerWaalsContact CA-O 3.31Å; K240-K260 WeakPolarHBondContact CA-O 2.96Å
241G61.2Low68.5Low12 Ų1252.6 Ų52.612%0.12429%0.287CS..  trans-173.3152-17800000113.1G221 K260 G261G221-G241 WeakPolarHBondContact O-CA 3.11Å; G241-K260 PolarHBondContact N-O 3.11Å; G241-K260 VanDerWaalsContact N-O 3.1Å; G241-G261 VanDerWaalsContact O-CA 3.31Å; G241-G261 WeakPolarHBondContact O-CA 3.33Å
242E64.1Low68.8Low97 Ų9756.4 Ų56.445%0.45330%0.298SS..SBendtrans-110.4131.1176.5-70.7171.6-177.600108.7E222 G223 E262E222-E242 HydrophobicContact CG-CB 4.44Å; G223-E242 PolarHBondContact N-O 3.44Å; E242-E262 HydrophobicContact CB-CB 4.24Å; E242-E262 HydrophobicContact CG-CB 4.19Å; E242-E262 HydrophobicContact CG-CG 4.14Å
243G65.3Low69.1Low21 Ų2152.4 Ų52.422%0.21629%0.287CS..  trans69.352.9157.700000117.5Q245 E262G243-Q245 PolarHBondContact O-N 2.99Å; G243-E262 PolarHBondContact N-O 2.96Å
244A75.6Confident69.7Low20 Ų2052 Ų5217%0.16528%0.281CS..  trans-69.3127.8167.900000110.8A224 N236 N256 G264 Q265A224-A244 CarbonylContact O-C 3.6Å; A224-A244 WeakPolarHBondContact O-CA 3.15Å; N236-A244 HydrophobicContact CB-CB 3.81Å; A244-N256 HydrophobicContact CB-CB 4.41Å; A244-G264 CarbonylContact O-C 3.56Å; A244-G264 WeakPolarHBondContact O-CA 3.22Å; A244-Q265 PolarHBondContact O-N 3.12Å
245Q77.6Confident70.1Confident46 Ų4653.6 Ų53.622%0.21529%0.285CS..EExtended strand (participates in β ladder)trans-122.3129.3-178.3-56.5-177.6-46.900111.9A224 Q225 N226 G243 Q265A224-Q245 PolarHBondContact O-N 2.91Å; Q225-Q245 CarbonylContact C-O 3.55Å; Q225-Q245 VanDerWaalsContact CA-O 3.31Å; Q225-Q245 WeakPolarHBondContact CA-O 3.37Å; Q225-Q245 HydrophobicContact CG-CB 4.27Å; N226-Q245 PolarHBondContact N-O 3.29Å; G243-Q245 PolarHBondContact O-N 2.99Å; Q245-Q265 CarbonylContact C-O 3.56Å; Q245-Q265 VanDerWaalsContact CA-O 3.27Å; Q245-Q265 WeakPolarHBondContact CA-O 2.86Å; Q245-Q265 HydrophobicContact CG-CB 4.21Å
246N76.9Confident70.2Confident6 Ų652.1 Ų52.13%0.03228%0.278CS..EExtended strand (participates in β ladder)trans-116.4124.4169.8-59.3-51.8000109.6N226 A234 N236 A254 N256 Q265 N266 Q267N226-N246 WeakPolarHBondContact CB-OD1 3.36Å; N226-N246 PolarHBondContact ND2-OD1 2.71Å; N226-N246 CarbonylContact O-C 3.48Å; N226-N246 WeakPolarHBondContact O-CA 3.47Å; A234-N246 HydrophobicContact CB-CB 4.35Å; N236-N246 PolarHBondContact ND2-ND2 2.97Å; N236-N246 PolarHBondContact ND2-OD1 2.96Å; N246-A254 HydrophobicContact CB-CB 4.08Å; N246-N256 PolarHBondContact ND2-ND2 2.87Å; N246-N256 PolarHBondContact ND2-OD1 3.44Å; N246-Q265 PolarHBondContact N-O 3.19Å; N246-N266 WeakPolarHBondContact CB-OD1 3.42Å; N246-N266 PolarHBondContact ND2-OD1 3.34Å; N246-N266 CarbonylContact O-C 3.56Å; N246-N266 WeakPolarHBondContact O-CA 3.41Å; N246-Q267 PolarHBondContact O-N 3Å
247Q75.8Confident70.3Confident73 Ų7355 Ų5534%0.34129%0.291SS..EExtended strand (participates in β ladder)trans-121.4127.5177.1-58.2-172.213.900111.6N226 Q227 A228 Q267N226-Q247 PolarHBondContact O-N 2.59Å; Q227-Q247 WeakPolarHBondContact CA-O 3.23Å; Q227-Q247 HydrophobicContact CG-CB 4.32Å; A228-Q247 PolarHBondContact N-O 2.97Å; Q247-Q267 CarbonylContact C-O 3.22Å; Q247-Q267 WeakPolarHBondContact CA-O 3.43Å; Q247-Q267 HydrophobicContact CG-CB 4.32Å
248G68.8Low70.1Confident23 Ų2353.2 Ų53.224%0.23729%0.287CS..EExtended strand (participates in β ladder)trans-136141.4-175.300000114.3A228 Q267 A268 K269A228-G248 VanDerWaalsContact O-CA 3.28Å; A228-G248 WeakPolarHBondContact O-CA 3.02Å; G248-Q267 PolarHBondContact N-O 3.26Å; G248-A268 VanDerWaalsContact O-CA 3.29Å; G248-A268 WeakPolarHBondContact O-CA 2.93Å; G248-K269 PolarHBondContact O-N 2.93Å
249K67.1Low70.2Confident110 Ų11057.1 Ų57.148%0.47830%0.299SS..EExtended strand (participates in β ladder)trans-80.7-42.2165.1-66.3-175-177.7-176.40111.6A228 K229 K269 K270A228-K249 PolarHBondContact O-N 2.65Å; K229-K249 WeakPolarHBondContact O-CB 3.29Å; K249-K269 HydrophobicContact CG-CD 4.39Å; K249-K269 WeakPolarHBondContact O-CB 3.12Å; K249-K270 PolarHBondContact O-N 3.03Å; K249-K270 VanDerWaalsContact O-N 3.15Å
250K65.3Low70.3Confident118 Ų11857.2 Ų57.251%0.51330%0.299SS..EExtended strand (participates in β ladder)trans-141.2124.9172.1-72.2-176.1179.1-178.80108K229 K230 G231 K270K229-K250 PolarHBondContact O-N 3.1Å; K230-K250 WeakPolarHBondContact CA-O 3.38Å; K230-K250 HydrophobicContact CG-CB 4.18Å; G231-K250 PolarHBondContact N-O 3.33Å; K250-K270 VanDerWaalsContact CA-O 3.28Å; K250-K270 WeakPolarHBondContact CA-O 3.38Å; K250-K270 HydrophobicContact CG-CB 4.38Å
251G61.1Low70.3Confident26 Ų2652.7 Ų52.727%0.26829%0.287SS..EExtended strand (participates in β ladder)trans-171.4153.6174.200000114G231 K270 G271 E272G231-G251 WeakPolarHBondContact O-CA 3.26Å; G251-K270 PolarHBondContact N-O 3.05Å; G251-G271 WeakPolarHBondContact O-CA 3.31Å; G251-E272 PolarHBondContact O-N 2.97Å
252E65.4Low70.5Confident104 Ų10457.4 Ų57.449%0.48631%0.305SS..EExtended strand (participates in β ladder)trans-110.2142.1175.7-65.8173.7-166.600108.6E232 G233 E272E232-E252 HydrophobicContact CG-CB 4.44Å; G233-E252 PolarHBondContact N-O 3.05Å; E252-E272 CarbonylContact C-O 3.54Å; E252-E272 WeakPolarHBondContact CA-O 3.37Å; E252-E272 HydrophobicContact CG-CB 4.34Å
253G66.2Low70.6Confident27 Ų2753.5 Ų53.528%0.27829%0.291SS..  trans77.136.6163.300000117.1Q255 E272G253-Q255 PolarHBondContact O-N 2.85Å; G253-E272 PolarHBondContact N-O 2.9Å
254A76.7Confident71Confident23 Ų2352.8 Ų52.819%0.1928%0.284CS..  trans-69.7118.2170.900000110.7A234 N246 N266 A274 Q275A234-A254 CarbonylContact O-C 3.6Å; A234-A254 WeakPolarHBondContact O-CA 3.33Å; N246-A254 HydrophobicContact CB-CB 4.08Å; A254-N266 HydrophobicContact CB-CB 4.35Å; A254-A274 CarbonylContact O-C 3.55Å; A254-A274 WeakPolarHBondContact O-CA 3.35Å; A254-Q275 PolarHBondContact O-N 2.9Å
255Q80.1Confident71.3Confident53 Ų5354.4 Ų54.425%0.24829%0.288CS..EExtended strand (participates in β ladder)trans-124.8125.9-174.8-68.3-171.4-16.500112.3A234 Q235 N236 G253 Q275A234-Q255 PolarHBondContact O-N 3.26Å; Q235-Q255 CarbonylContact C-O 3.55Å; Q235-Q255 VanDerWaalsContact CA-O 3.29Å; Q235-Q255 WeakPolarHBondContact CA-O 3.47Å; Q235-Q255 HydrophobicContact CG-CB 4.11Å; N236-Q255 PolarHBondContact N-O 3.05Å; G253-Q255 PolarHBondContact O-N 2.85Å; Q255-Q275 CarbonylContact C-O 3.58Å; Q255-Q275 VanDerWaalsContact CA-O 3.29Å; Q255-Q275 WeakPolarHBondContact CA-O 3.42Å; Q255-Q275 HydrophobicContact CG-CB 4.27Å
256N78.9Confident71.4Confident7 Ų752.5 Ų52.54%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-116126.4168.6-57.8-53.3000110.3N236 A244 N246 N266 Q275 N276 Q277N236-N256 WeakPolarHBondContact CB-OD1 3.29Å; N236-N256 PolarHBondContact ND2-OD1 2.99Å; N236-N256 CarbonylContact O-C 3.55Å; N236-N256 WeakPolarHBondContact O-CA 3.28Å; A244-N256 HydrophobicContact CB-CB 4.41Å; N246-N256 PolarHBondContact ND2-ND2 2.87Å; N246-N256 PolarHBondContact ND2-OD1 3.44Å; N256-N266 PolarHBondContact ND2-OD1 3.49Å; N256-Q275 PolarHBondContact N-O 3.06Å; N256-N276 WeakPolarHBondContact CB-OD1 3.49Å; N256-N276 PolarHBondContact ND2-OD1 2.69Å; N256-N276 CarbonylContact O-C 3.54Å; N256-N276 WeakPolarHBondContact O-CA 3.29Å; N256-Q277 PolarHBondContact O-N 3.04Å
257Q76.9Confident71.5Confident65 Ų6555.7 Ų55.730%0.30429%0.294SS..EExtended strand (participates in β ladder)trans-123.1120.6176.6-57.1-172.515.300111.2N236 Q237 A238 Q277N236-Q257 PolarHBondContact O-N 3.08Å; Q237-Q257 CarbonylContact C-O 3.6Å; Q237-Q257 WeakPolarHBondContact CA-O 3.32Å; Q237-Q257 HydrophobicContact CG-CB 4.27Å; A238-Q257 PolarHBondContact N-O 3.15Å; Q257-Q277 VanDerWaalsContact CA-O 3.3Å; Q257-Q277 WeakPolarHBondContact CA-O 3.4Å; Q257-Q277 HydrophobicContact CG-CB 4.33Å
258A71.2Confident71.4Confident24 Ų2453.7 Ų53.720%0.19829%0.29CS..EExtended strand (participates in β ladder)trans-129.9129.217900000112.3A238 Q277 G278 K279A238-A258 WeakPolarHBondContact O-CA 3.39Å; A258-Q277 PolarHBondContact N-O 3.08Å; A258-G278 WeakPolarHBondContact O-CA 3.33Å; A258-K279 PolarHBondContact O-N 2.8Å
259K69.3Low71.4Confident109 Ų10958 Ų5847%0.47430%0.303SS..SBendtrans-74.8-33.5173.3-70.4-178.9-175.9178.50112.3A238 K239 K279 K280A238-K259 PolarHBondContact O-N 3.08Å; K239-K259 HydrophobicContact CG-CD 4.37Å; K239-K259 WeakPolarHBondContact O-CB 3.27Å; K259-K279 HydrophobicContact CG-CD 4.44Å; K259-K279 WeakPolarHBondContact O-CB 3.42Å; K259-K280 PolarHBondContact O-N 3Å
260K68.1Low71.5Confident119 Ų11958.5 Ų58.552%0.51731%0.305SS..SBendtrans-154.9129.9177.5-169.4-179.7179.5-174.40110.9K239 K240 G241 K280K239-K260 PolarHBondContact O-N 3.19Å; K240-K260 VanDerWaalsContact CA-O 3.31Å; K240-K260 WeakPolarHBondContact CA-O 2.96Å; G241-K260 PolarHBondContact N-O 3.11Å; G241-K260 VanDerWaalsContact N-O 3.1Å; K260-K280 WeakPolarHBondContact CA-O 3.46Å
261G64.3Low71.4Confident24 Ų2453.7 Ų53.725%0.24729%0.289CS..SBendtrans137.4-173.7169.900000113.5G241 K280 G281G241-G261 VanDerWaalsContact O-CA 3.31Å; G241-G261 WeakPolarHBondContact O-CA 3.33Å; G261-K280 PolarHBondContact N-O 3.08Å; G261-K280 VanDerWaalsContact N-O 3.16Å; G261-G281 WeakPolarHBondContact O-CA 3.44Å
262E65.8Low71.7Confident110 Ų11056.8 Ų56.851%0.51430%0.296SS..SBendtrans-62.6139176.5-66.6-173.2164.500111.4E242 G243E242-E262 HydrophobicContact CB-CB 4.24Å; E242-E262 HydrophobicContact CG-CB 4.19Å; E242-E262 HydrophobicContact CG-CG 4.14Å; G243-E262 PolarHBondContact N-O 2.96Å
263G66.1Low71.8Confident15 Ų1553 Ų5316%0.15529%0.285CS..PPolyproline II helixtrans-65.5161.4-171.900000113.6E282G263-E282 WeakPolarHBondContact CA-O 3.43Å; G263-E282 PolarHBondContact N-O 2.96Å
264G74Confident72.5Confident7 Ų752.7 Ų52.77%0.07228%0.28CS..PPolyproline II helixtrans-79.1151.6176.500000112.8A244 N276 A284 Q285A244-G264 CarbonylContact O-C 3.56Å; A244-G264 WeakPolarHBondContact O-CA 3.22Å; G264-N276 PolarHBondContact O-ND2 2.97Å; G264-A284 WeakPolarHBondContact O-CA 3.26Å; G264-Q285 PolarHBondContact O-N 3.31Å
265Q81.1Confident72.8Confident54 Ų5453.6 Ų53.625%0.25228%0.28SS..EExtended strand (participates in β ladder)trans-115.6122.9174.2-57.7-177.8-9.700110.4A244 Q245 N246 Q285A244-Q265 PolarHBondContact O-N 3.12Å; Q245-Q265 CarbonylContact C-O 3.56Å; Q245-Q265 VanDerWaalsContact CA-O 3.27Å; Q245-Q265 WeakPolarHBondContact CA-O 2.86Å; Q245-Q265 HydrophobicContact CG-CB 4.21Å; N246-Q265 PolarHBondContact N-O 3.19Å; Q265-Q285 CarbonylContact C-O 3.56Å; Q265-Q285 VanDerWaalsContact CA-O 3.28Å; Q265-Q285 WeakPolarHBondContact CA-O 3.18Å; Q265-Q285 HydrophobicContact CG-CB 4.27Å
266N81.2Confident72.9Confident6 Ų651.3 Ų51.33%0.03227%0.27CS..EExtended strand (participates in β ladder)trans-112.8124.3172.2-58.9-50.5000109.8N246 A254 N256 A274 N276 Q285 N286 Q287N246-N266 WeakPolarHBondContact CB-OD1 3.42Å; N246-N266 PolarHBondContact ND2-OD1 3.34Å; N246-N266 CarbonylContact O-C 3.56Å; N246-N266 WeakPolarHBondContact O-CA 3.41Å; A254-N266 HydrophobicContact CB-CB 4.35Å; N256-N266 PolarHBondContact ND2-OD1 3.49Å; N266-A274 HydrophobicContact CB-CB 3.97Å; N266-N276 PolarHBondContact ND2-OD1 3.42Å; N266-Q285 PolarHBondContact N-O 3.38Å; N266-N286 WeakPolarHBondContact CB-OD1 3.3Å; N266-N286 PolarHBondContact ND2-OD1 2.97Å; N266-N286 CarbonylContact O-C 3.46Å; N266-N286 WeakPolarHBondContact O-CA 3.18Å; N266-Q287 PolarHBondContact O-N 3.25Å
267Q78.7Confident72.9Confident73 Ų7354.4 Ų54.434%0.34128%0.284SS..EExtended strand (participates in β ladder)trans-121.6120.3176-58.7-171.513.800110.8N246 Q247 G248 Q287N246-Q267 PolarHBondContact O-N 3Å; Q247-Q267 CarbonylContact C-O 3.22Å; Q247-Q267 WeakPolarHBondContact CA-O 3.43Å; Q247-Q267 HydrophobicContact CG-CB 4.32Å; G248-Q267 PolarHBondContact N-O 3.26Å; Q267-Q287 CarbonylContact C-O 3.58Å; Q267-Q287 VanDerWaalsContact CA-O 3.32Å; Q267-Q287 WeakPolarHBondContact CA-O 3.45Å; Q267-Q287 HydrophobicContact CG-CB 4.33Å
268A72.6Confident72.7Confident31 Ų3152.4 Ų52.426%0.25628%0.281SS..EExtended strand (participates in β ladder)trans-132.6133.5179.100000112.8G248 Q287 G288 K289G248-A268 VanDerWaalsContact O-CA 3.29Å; G248-A268 WeakPolarHBondContact O-CA 2.93Å; A268-Q287 PolarHBondContact N-O 3.08Å; A268-G288 WeakPolarHBondContact O-CA 3.31Å; A268-K289 PolarHBondContact O-N 3.37Å
269K70.1Confident72.7Confident113 Ų11356.4 Ų56.449%0.49129%0.293SS..EExtended strand (participates in β ladder)trans-69.4-42.6171.2-71-176.9-176.6-179.40111.3G248 K249 K289 K290G248-K269 PolarHBondContact O-N 2.93Å; K249-K269 HydrophobicContact CG-CD 4.39Å; K249-K269 WeakPolarHBondContact O-CB 3.12Å; K269-K289 HydrophobicContact CG-CD 4.46Å; K269-K289 WeakPolarHBondContact O-CB 3.27Å; K269-K290 PolarHBondContact O-N 2.83Å; K269-K290 VanDerWaalsContact O-N 3.14Å
270K67.9Low72.7Confident121 Ų12157 Ų5753%0.52630%0.296SS..EExtended strand (participates in β ladder)trans-137.8126.4168.9-168.5-174.1-179.1-161.10107.8K249 K250 G251 K290K249-K270 PolarHBondContact O-N 3.03Å; K249-K270 VanDerWaalsContact O-N 3.15Å; K250-K270 VanDerWaalsContact CA-O 3.28Å; K250-K270 WeakPolarHBondContact CA-O 3.38Å; K250-K270 HydrophobicContact CG-CB 4.38Å; G251-K270 PolarHBondContact N-O 3.05Å; K270-K290 VanDerWaalsContact CA-O 3.27Å; K270-K290 WeakPolarHBondContact CA-O 3.29Å; K270-K290 HydrophobicContact CG-CB 4.27Å
271G64.3Low72.5Confident17 Ų1752.4 Ų52.418%0.17528%0.283CS..EExtended strand (participates in β ladder)trans-173.7158.7176.800000114.8G251 K290 G291 E292G251-G271 WeakPolarHBondContact O-CA 3.31Å; G271-K290 PolarHBondContact N-O 2.8Å; G271-K290 VanDerWaalsContact N-O 3.11Å; G271-G291 WeakPolarHBondContact O-CA 3.4Å; G271-E292 PolarHBondContact O-N 3.01Å
272E67.6Low72.7Confident90 Ų9056.8 Ų56.842%0.42130%0.297SS..EExtended strand (participates in β ladder)trans-119.1145.9179.6-62.6176.1-166.900109.6G251 E252 G253 E292G251-E272 PolarHBondContact O-N 2.97Å; E252-E272 CarbonylContact C-O 3.54Å; E252-E272 WeakPolarHBondContact CA-O 3.37Å; E252-E272 HydrophobicContact CG-CB 4.34Å; G253-E272 PolarHBondContact N-O 2.9Å; E272-E292 CarbonylContact C-O 3.6Å; E272-E292 WeakPolarHBondContact CA-O 3.23Å; E272-E292 HydrophobicContact CG-CB 4.23Å
273G67.4Low72.9Confident24 Ų2453 Ų5325%0.24729%0.287CS..  trans73.137166.200000116.2Q275 E292G273-Q275 PolarHBondContact O-N 2.92Å; G273-E292 PolarHBondContact N-O 3.15Å
274A79.9Confident73.6Confident21 Ų2153.1 Ų53.117%0.17429%0.287CS..  trans-71.7117.917100000110.4A254 N266 N286 A294 Q295A254-A274 CarbonylContact O-C 3.55Å; A254-A274 WeakPolarHBondContact O-CA 3.35Å; N266-A274 HydrophobicContact CB-CB 3.97Å; A274-N286 HydrophobicContact CB-CB 4.37Å; A274-A294 CarbonylContact O-C 3.55Å; A274-A294 WeakPolarHBondContact O-CA 3.21Å; A274-Q295 PolarHBondContact O-N 3.19Å
275Q83.1Confident74.1Confident43 Ų4354.9 Ų54.920%0.20129%0.293CS..EExtended strand (participates in β ladder)trans-126.3131.4-175.6-58.6-179.9-41.800112.2A254 Q255 N256 G273 Q295A254-Q275 PolarHBondContact O-N 2.9Å; Q255-Q275 CarbonylContact C-O 3.58Å; Q255-Q275 VanDerWaalsContact CA-O 3.29Å; Q255-Q275 WeakPolarHBondContact CA-O 3.42Å; Q255-Q275 HydrophobicContact CG-CB 4.27Å; N256-Q275 PolarHBondContact N-O 3.06Å; G273-Q275 PolarHBondContact O-N 2.92Å; Q275-Q295 CarbonylContact C-O 3.54Å; Q275-Q295 VanDerWaalsContact CA-O 3.27Å; Q275-Q295 WeakPolarHBondContact CA-O 3.47Å; Q275-Q295 HydrophobicContact CG-CB 4.24Å
276N82.5Confident74.2Confident5 Ų552.6 Ų52.63%0.02728%0.282CS..EExtended strand (participates in β ladder)trans-118.1124.6168-59.3-55.6000109.5N256 G264 N266 A284 N286 Q295 N296 Q297N256-N276 WeakPolarHBondContact CB-OD1 3.49Å; N256-N276 PolarHBondContact ND2-OD1 2.69Å; N256-N276 CarbonylContact O-C 3.54Å; N256-N276 WeakPolarHBondContact O-CA 3.29Å; G264-N276 PolarHBondContact O-ND2 2.97Å; N266-N276 PolarHBondContact ND2-OD1 3.42Å; N276-A284 HydrophobicContact CB-CB 3.84Å; N276-N286 PolarHBondContact ND2-OD1 2.82Å; N276-Q295 PolarHBondContact N-O 3.44Å; N276-N296 WeakPolarHBondContact CB-OD1 3.45Å; N276-N296 PolarHBondContact ND2-OD1 2.97Å; N276-N296 CarbonylContact O-C 3.57Å; N276-N296 WeakPolarHBondContact O-CA 3.34Å; N276-Q297 PolarHBondContact O-N 3.06Å
277Q80Confident74.3Confident72 Ų7255.7 Ų55.734%0.33630%0.297SS..EExtended strand (participates in β ladder)trans-124.2134179-58.8-173.814.300111.6N256 Q257 A258 Q297N256-Q277 PolarHBondContact O-N 3.04Å; Q257-Q277 VanDerWaalsContact CA-O 3.3Å; Q257-Q277 WeakPolarHBondContact CA-O 3.4Å; Q257-Q277 HydrophobicContact CG-CB 4.33Å; A258-Q277 PolarHBondContact N-O 3.08Å; Q277-Q297 CarbonylContact C-O 3.58Å; Q277-Q297 WeakPolarHBondContact CA-O 3.05Å; Q277-Q297 HydrophobicContact CG-CB 4.37Å
278G71.7Confident74Confident23 Ų2353.3 Ų53.324%0.23729%0.292CS..EExtended strand (participates in β ladder)trans-150.9155.6176.500000116.6A258 Q297 A298 K299A258-G278 WeakPolarHBondContact O-CA 3.33Å; G278-Q297 PolarHBondContact N-O 2.94Å; G278-A298 CarbonylContact O-C 3.56Å; G278-A298 VanDerWaalsContact O-CA 3.29Å; G278-A298 WeakPolarHBondContact O-CA 3.38Å; G278-K299 PolarHBondContact O-N 2.84Å
279K72Confident74.1Confident107 Ų10757 Ų5747%0.46530%0.302SS..EExtended strand (participates in β ladder)trans-85.2-41.9171.3-63.7-174.1-179.1-174.30111.7A258 K259 K299 K300A258-K279 PolarHBondContact O-N 2.8Å; K259-K279 HydrophobicContact CG-CD 4.44Å; K259-K279 WeakPolarHBondContact O-CB 3.42Å; K279-K299 HydrophobicContact CG-CD 4.34Å; K279-K299 WeakPolarHBondContact O-CB 3.17Å; K279-K300 PolarHBondContact O-N 2.82Å
280K68.8Low74.2Confident121 Ų12157 Ų5753%0.52630%0.302SS..EExtended strand (participates in β ladder)trans-140.7119.1172.6-72.2-173.1178.6-177.70108.3K259 K260 G261 K300K259-K280 PolarHBondContact O-N 3Å; K260-K280 WeakPolarHBondContact CA-O 3.46Å; G261-K280 PolarHBondContact N-O 3.08Å; G261-K280 VanDerWaalsContact N-O 3.16Å; K280-K300 VanDerWaalsContact CA-O 3.27Å; K280-K300 WeakPolarHBondContact CA-O 3.07Å; K280-K300 HydrophobicContact CG-CB 4.32Å
281G64.4Low74Confident23 Ų2352.5 Ų52.524%0.23729%0.29CS..EExtended strand (participates in β ladder)trans-173.4157.4174.600000113.9G261 K300 G301 E302G261-G281 WeakPolarHBondContact O-CA 3.44Å; G281-K300 PolarHBondContact N-O 3.33Å; G281-K300 VanDerWaalsContact N-O 3.16Å; G281-G301 WeakPolarHBondContact O-CA 3.27Å; G281-E302 PolarHBondContact O-N 2.88Å
282E68.5Low74.3Confident116 Ų11656.2 Ų56.254%0.54230%0.303SS..EExtended strand (participates in β ladder)trans-119.1143.5-176.4-68.2168.9-162.500109G263 E302G263-E282 WeakPolarHBondContact CA-O 3.43Å; G263-E282 PolarHBondContact N-O 2.96Å; E282-E302 CarbonylContact C-O 3.56Å; E282-E302 WeakPolarHBondContact CA-O 3.29Å; E282-E302 HydrophobicContact CG-CB 4.27Å
283G68.1Low74.3Confident30 Ų3053.1 Ų53.131%0.30930%0.295SS..  trans77.532.8166.400000116.8Q285 E302G283-Q285 PolarHBondContact O-N 3.02Å; G283-E302 PolarHBondContact N-O 3.33Å
284A81.6Confident75Confident18 Ų1853 Ų5315%0.14929%0.292CS..  trans-67.9123.1170.500000110.8G264 N276 N296 A304 Q305G264-A284 WeakPolarHBondContact O-CA 3.26Å; N276-A284 HydrophobicContact CB-CB 3.84Å; A284-N296 HydrophobicContact CB-CB 4.37Å; A284-A304 CarbonylContact O-C 3.56Å; A284-A304 WeakPolarHBondContact O-CA 3.39Å; A284-Q305 PolarHBondContact O-N 3.15Å
285Q84.5Confident75.3Confident44 Ų4454.1 Ų54.121%0.20629%0.293CS..EExtended strand (participates in β ladder)trans-127.9132.8-174.8-63.6-177.1-31.700112.2G264 Q265 N266 G283 Q305G264-Q285 PolarHBondContact O-N 3.31Å; Q265-Q285 CarbonylContact C-O 3.56Å; Q265-Q285 VanDerWaalsContact CA-O 3.28Å; Q265-Q285 WeakPolarHBondContact CA-O 3.18Å; Q265-Q285 HydrophobicContact CG-CB 4.27Å; N266-Q285 PolarHBondContact N-O 3.38Å; G283-Q285 PolarHBondContact O-N 3.02Å; Q285-Q305 CarbonylContact C-O 3.53Å; Q285-Q305 VanDerWaalsContact CA-O 3.31Å; Q285-Q305 WeakPolarHBondContact CA-O 3.39Å; Q285-Q305 HydrophobicContact CG-CB 4.28Å
286N84.1Confident75.3Confident6 Ų652.2 Ų52.23%0.03228%0.284CS..EExtended strand (participates in β ladder)trans-120.5124.4166.7-58.3-54.5000109.4N266 A274 N276 A294 N296 Q305 N306 Q307N266-N286 WeakPolarHBondContact CB-OD1 3.3Å; N266-N286 PolarHBondContact ND2-OD1 2.97Å; N266-N286 CarbonylContact O-C 3.46Å; N266-N286 WeakPolarHBondContact O-CA 3.18Å; A274-N286 HydrophobicContact CB-CB 4.37Å; N276-N286 PolarHBondContact ND2-OD1 2.82Å; N286-A294 HydrophobicContact CB-CB 3.98Å; N286-N296 PolarHBondContact ND2-OD1 3.19Å; N286-Q305 PolarHBondContact N-O 2.95Å; N286-N306 WeakPolarHBondContact CB-OD1 2.88Å; N286-N306 PolarHBondContact ND2-OD1 3.47Å; N286-N306 CarbonylContact O-C 3.55Å; N286-N306 WeakPolarHBondContact O-CA 2.96Å; N286-Q307 PolarHBondContact O-N 3.05Å
287Q81.7Confident75.3Confident71 Ų7155.4 Ų55.433%0.33230%0.299SS..EExtended strand (participates in β ladder)trans-125.1135.2178.4-58.3-174.215.600111.3N266 Q267 A268 Q307N266-Q287 PolarHBondContact O-N 3.25Å; Q267-Q287 CarbonylContact C-O 3.58Å; Q267-Q287 VanDerWaalsContact CA-O 3.32Å; Q267-Q287 WeakPolarHBondContact CA-O 3.45Å; Q267-Q287 HydrophobicContact CG-CB 4.33Å; A268-Q287 PolarHBondContact N-O 3.08Å; Q287-Q307 CarbonylContact C-O 3.52Å; Q287-Q307 WeakPolarHBondContact CA-O 3.33Å; Q287-Q307 HydrophobicContact CG-CB 4.39Å
288G73.2Confident75.2Confident23 Ų2353.4 Ų53.424%0.23730%0.295CS..EExtended strand (participates in β ladder)trans-155.6161.1172.800000117A268 Q307 A308 K309A268-G288 WeakPolarHBondContact O-CA 3.31Å; G288-Q307 PolarHBondContact N-O 2.89Å; G288-A308 VanDerWaalsContact O-CA 3.27Å; G288-A308 WeakPolarHBondContact O-CA 3.33Å; G288-K309 PolarHBondContact O-N 2.99Å; G288-K309 VanDerWaalsContact O-N 3.11Å
289K74.2Confident75.3Confident108 Ų10857.6 Ų57.647%0.4731%0.307SS..EExtended strand (participates in β ladder)trans-84-41.1173.3-60.8-175.2-179.9-173.90111.4A268 K269 K309 K310A268-K289 PolarHBondContact O-N 3.37Å; K269-K289 HydrophobicContact CG-CD 4.46Å; K269-K289 WeakPolarHBondContact O-CB 3.27Å; K289-K309 HydrophobicContact CG-CD 4.45Å; K289-K309 WeakPolarHBondContact O-CB 3.3Å; K289-K310 PolarHBondContact O-N 2.82Å
290K71.8Confident75.3Confident115 Ų11558.1 Ų58.150%0.531%0.309SS..EExtended strand (participates in β ladder)trans-136.4125.8171.1-70.4-174.1179.3-176.60108K269 K270 G271 K310K269-K290 PolarHBondContact O-N 2.83Å; K269-K290 VanDerWaalsContact O-N 3.14Å; K270-K290 VanDerWaalsContact CA-O 3.27Å; K270-K290 WeakPolarHBondContact CA-O 3.29Å; K270-K290 HydrophobicContact CG-CB 4.27Å; G271-K290 PolarHBondContact N-O 2.8Å; G271-K290 VanDerWaalsContact N-O 3.11Å; K290-K310 VanDerWaalsContact CA-O 3.27Å; K290-K310 WeakPolarHBondContact CA-O 2.86Å; K290-K310 HydrophobicContact CG-CB 4.34Å
291G65Low75.2Confident25 Ų2553 Ų5326%0.25829%0.291SS..EExtended strand (participates in β ladder)trans-171.3156.4172.700000115.1G271 K310 G311 E312G271-G291 WeakPolarHBondContact O-CA 3.4Å; G291-K310 PolarHBondContact N-O 3.1Å; G291-K310 VanDerWaalsContact N-O 3.1Å; G291-G311 WeakPolarHBondContact O-CA 2.81Å; G291-E312 PolarHBondContact O-N 2.94Å
292E69.4Low75.5Confident96 Ų9656.2 Ų56.245%0.44930%0.3SS..EExtended strand (participates in β ladder)trans-120.3145-178.5-60.4176.3-168.100109.5G271 E272 G273 E312G271-E292 PolarHBondContact O-N 3.01Å; E272-E292 CarbonylContact C-O 3.6Å; E272-E292 WeakPolarHBondContact CA-O 3.23Å; E272-E292 HydrophobicContact CG-CB 4.23Å; G273-E292 PolarHBondContact N-O 3.15Å; E292-E312 CarbonylContact C-O 3.47Å; E292-E312 VanDerWaalsContact CA-O 3.31Å; E292-E312 WeakPolarHBondContact CA-O 3.41Å; E292-E312 HydrophobicContact CG-CB 4.25Å
293G69.2Low75.5Confident25 Ų2552 Ų5226%0.25829%0.287SS..  trans72.637.516800000116Q295 E312G293-Q295 PolarHBondContact O-N 2.97Å; G293-E312 PolarHBondContact N-O 3.28Å
294A81.8Confident76.2Confident22 Ų2251.5 Ų51.518%0.18228%0.28CS..  trans-72.4118.3171.600000110.5A274 N286 N306 A314 Q315A274-A294 CarbonylContact O-C 3.55Å; A274-A294 WeakPolarHBondContact O-CA 3.21Å; N286-A294 HydrophobicContact CB-CB 3.98Å; A294-N306 HydrophobicContact CB-CB 4.36Å; A294-A314 CarbonylContact O-C 3.54Å; A294-A314 WeakPolarHBondContact O-CA 2.94Å; A294-Q315 PolarHBondContact O-N 3.04Å
295Q84.9Confident76.4Confident43 Ų4352.7 Ų52.720%0.20128%0.283CS..EExtended strand (participates in β ladder)trans-127.3130-175.7-59.9-178.5-33.600112.5A274 Q275 N276 G293 Q315A274-Q295 PolarHBondContact O-N 3.19Å; Q275-Q295 CarbonylContact C-O 3.54Å; Q275-Q295 VanDerWaalsContact CA-O 3.27Å; Q275-Q295 WeakPolarHBondContact CA-O 3.47Å; Q275-Q295 HydrophobicContact CG-CB 4.24Å; N276-Q295 PolarHBondContact N-O 3.44Å; G293-Q295 PolarHBondContact O-N 2.97Å; Q295-Q315 CarbonylContact C-O 3.56Å; Q295-Q315 VanDerWaalsContact CA-O 3.28Å; Q295-Q315 WeakPolarHBondContact CA-O 3.31Å; Q295-Q315 HydrophobicContact CG-CB 4.27Å
296N84.8Confident76.4Confident4 Ų450.9 Ų50.92%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-117.9125.9168.7-58.1-51.9000109.8N276 A284 N286 A304 N306 Q315 N316 Q317N276-N296 WeakPolarHBondContact CB-OD1 3.45Å; N276-N296 PolarHBondContact ND2-OD1 2.97Å; N276-N296 CarbonylContact O-C 3.57Å; N276-N296 WeakPolarHBondContact O-CA 3.34Å; A284-N296 HydrophobicContact CB-CB 4.37Å; N286-N296 PolarHBondContact ND2-OD1 3.19Å; N296-A304 HydrophobicContact CB-CB 3.88Å; N296-N306 PolarHBondContact ND2-OD1 2.69Å; N296-Q315 PolarHBondContact N-O 3.05Å; N296-N316 WeakPolarHBondContact CB-OD1 3.25Å; N296-N316 PolarHBondContact ND2-OD1 3.09Å; N296-N316 CarbonylContact O-C 3.36Å; N296-N316 WeakPolarHBondContact O-CA 3.42Å; N296-Q317 PolarHBondContact O-N 3.08Å
297Q82.1Confident76.4Confident71 Ų7154.1 Ų54.133%0.33229%0.289SS..EExtended strand (participates in β ladder)trans-126122.7178.6-58.9-172.818.800111.2N276 Q277 G278 Q317N276-Q297 PolarHBondContact O-N 3.06Å; Q277-Q297 CarbonylContact C-O 3.58Å; Q277-Q297 WeakPolarHBondContact CA-O 3.05Å; Q277-Q297 HydrophobicContact CG-CB 4.37Å; G278-Q297 PolarHBondContact N-O 2.94Å; Q297-Q317 WeakPolarHBondContact CA-O 3.22Å; Q297-Q317 HydrophobicContact CG-CB 4.35Å
298A77.1Confident76.3Confident31 Ų3152 Ų5226%0.25629%0.285SS..EExtended strand (participates in β ladder)trans-133137.5178.100000112.5G278 Q317 G318 K319G278-A298 CarbonylContact O-C 3.56Å; G278-A298 VanDerWaalsContact O-CA 3.29Å; G278-A298 WeakPolarHBondContact O-CA 3.38Å; A298-Q317 PolarHBondContact N-O 3.02Å; A298-G318 VanDerWaalsContact O-CA 3.26Å; A298-G318 WeakPolarHBondContact O-CA 3.48Å; A298-K319 PolarHBondContact O-N 2.96Å
299K74.2Confident76.4Confident111 Ų11156 Ų5648%0.48330%0.295SS..EExtended strand (participates in β ladder)trans-72.6-42.6168.9-69.5-176-177.6-178.20111.3G278 K279 K319 K320G278-K299 PolarHBondContact O-N 2.84Å; K279-K299 HydrophobicContact CG-CD 4.34Å; K279-K299 WeakPolarHBondContact O-CB 3.17Å; K299-K319 HydrophobicContact CG-CD 4.47Å; K299-K319 WeakPolarHBondContact O-CB 3.33Å; K299-K320 PolarHBondContact O-N 2.89Å; K299-K320 VanDerWaalsContact O-N 3.08Å
300K72.6Confident76.5Confident117 Ų11756.4 Ų56.451%0.50930%0.297SS..EExtended strand (participates in β ladder)trans-136.2124.7168.5-167.8-172.8179.8-160.90107.9K279 K280 G281 K320K279-K300 PolarHBondContact O-N 2.82Å; K280-K300 VanDerWaalsContact CA-O 3.27Å; K280-K300 WeakPolarHBondContact CA-O 3.07Å; K280-K300 HydrophobicContact CG-CB 4.32Å; G281-K300 PolarHBondContact N-O 3.33Å; G281-K300 VanDerWaalsContact N-O 3.16Å; K300-K320 CarbonylContact C-O 3.54Å; K300-K320 VanDerWaalsContact CA-O 3.23Å; K300-K320 WeakPolarHBondContact CA-O 3.39Å; K300-K320 HydrophobicContact CG-CB 4.23Å
301G65.7Low76.2Confident15 Ų1551.7 Ų51.716%0.15528%0.281CS..EExtended strand (participates in β ladder)trans-175158.8178.200000114.6G281 K320 G321 E322G281-G301 WeakPolarHBondContact O-CA 3.27Å; G301-K320 PolarHBondContact N-O 2.81Å; G301-K320 VanDerWaalsContact N-O 3.07Å; G301-G321 WeakPolarHBondContact O-CA 3.19Å; G301-E322 PolarHBondContact O-N 2.93Å
302E70Confident76.6Confident90 Ų9055 Ų5542%0.42129%0.29SS..EExtended strand (participates in β ladder)trans-123.2148.5-178.8-63.3171.1-163.800109.7G281 E282 G283 E322G281-E302 PolarHBondContact O-N 2.88Å; E282-E302 CarbonylContact C-O 3.56Å; E282-E302 WeakPolarHBondContact CA-O 3.29Å; E282-E302 HydrophobicContact CG-CB 4.27Å; G283-E302 PolarHBondContact N-O 3.33Å; E302-E322 WeakPolarHBondContact CA-O 2.99Å; E302-E322 HydrophobicContact CG-CB 4.27Å
303G69.9Low76.6Confident26 Ų2651.7 Ų51.727%0.26828%0.281SS..  trans72.837166.300000116.4Q305 E322G303-Q305 PolarHBondContact O-N 2.97Å; G303-E322 PolarHBondContact N-O 3.46Å
304A82.2Confident77.2Confident21 Ų2151.5 Ų51.517%0.17428%0.278CS..  trans-71.7121.9171.600000110.7A284 N296 N316 A324 Q325A284-A304 CarbonylContact O-C 3.56Å; A284-A304 WeakPolarHBondContact O-CA 3.39Å; N296-A304 HydrophobicContact CB-CB 3.88Å; A304-N316 HydrophobicContact CB-CB 4.38Å; A304-A324 CarbonylContact O-C 3.59Å; A304-A324 WeakPolarHBondContact O-CA 3.31Å; A304-Q325 PolarHBondContact O-N 2.83Å
305Q85.4Confident77.4Confident42 Ų4252.6 Ų52.620%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-127.5130.7-175.8-61-179.8-31.800112.5A284 Q285 N286 G303 Q325A284-Q305 PolarHBondContact O-N 3.15Å; Q285-Q305 CarbonylContact C-O 3.53Å; Q285-Q305 VanDerWaalsContact CA-O 3.31Å; Q285-Q305 WeakPolarHBondContact CA-O 3.39Å; Q285-Q305 HydrophobicContact CG-CB 4.28Å; N286-Q305 PolarHBondContact N-O 2.95Å; G303-Q305 PolarHBondContact O-N 2.97Å; Q305-Q325 CarbonylContact C-O 3.53Å; Q305-Q325 VanDerWaalsContact CA-O 3.31Å; Q305-Q325 WeakPolarHBondContact CA-O 3.39Å; Q305-Q325 HydrophobicContact CG-CB 4.27Å
306N85.4Confident77.4Confident6 Ų650.9 Ų50.93%0.03227%0.271CS..EExtended strand (participates in β ladder)trans-118.8124.8168.4-58-51.8000109.8N286 A294 N296 A314 N316 Q325 N326 Q327N286-N306 WeakPolarHBondContact CB-OD1 2.88Å; N286-N306 PolarHBondContact ND2-OD1 3.47Å; N286-N306 CarbonylContact O-C 3.55Å; N286-N306 WeakPolarHBondContact O-CA 2.96Å; A294-N306 HydrophobicContact CB-CB 4.36Å; N296-N306 PolarHBondContact ND2-OD1 2.69Å; N306-A314 HydrophobicContact CB-CB 4Å; N306-N316 PolarHBondContact ND2-OD1 3.47Å; N306-Q325 PolarHBondContact N-O 2.95Å; N306-N326 WeakPolarHBondContact CB-OD1 3.45Å; N306-N326 PolarHBondContact ND2-OD1 2.98Å; N306-N326 CarbonylContact O-C 3.57Å; N306-N326 WeakPolarHBondContact O-CA 3.41Å; N306-Q327 PolarHBondContact O-N 2.83Å
307Q83.5Confident77.3Confident74 Ų7454 Ų5435%0.34629%0.286SS..EExtended strand (participates in β ladder)trans-125.9124178.3-59.6-173.31900111.3N286 Q287 G288 Q327N286-Q307 PolarHBondContact O-N 3.05Å; Q287-Q307 CarbonylContact C-O 3.52Å; Q287-Q307 WeakPolarHBondContact CA-O 3.33Å; Q287-Q307 HydrophobicContact CG-CB 4.39Å; G288-Q307 PolarHBondContact N-O 2.89Å; Q307-Q327 WeakPolarHBondContact CA-O 3.37Å; Q307-Q327 HydrophobicContact CG-CB 4.36Å
308A79.3Confident76.8Confident28 Ų2851.7 Ų51.723%0.23128%0.28CS..EExtended strand (participates in β ladder)trans-134.8140.5178.600000112.8G288 Q327 S328 K329G288-A308 VanDerWaalsContact O-CA 3.27Å; G288-A308 WeakPolarHBondContact O-CA 3.33Å; A308-Q327 PolarHBondContact N-O 2.89Å; A308-S328 WeakPolarHBondContact O-CA 3.34Å; A308-K329 PolarHBondContact O-N 3.42Å
309K76.3Confident76.6Confident107 Ų10755.4 Ų55.447%0.46529%0.291SS..EExtended strand (participates in β ladder)trans-72.9-43.8167.4-69.1-175.9-178.1-176.30111G288 K289 K329 K330G288-K309 PolarHBondContact O-N 2.99Å; G288-K309 VanDerWaalsContact O-N 3.11Å; K289-K309 HydrophobicContact CG-CD 4.45Å; K289-K309 WeakPolarHBondContact O-CB 3.3Å; K309-K329 HydrophobicContact CG-CD 4.48Å; K309-K329 WeakPolarHBondContact O-CB 3.48Å; K309-K330 PolarHBondContact O-N 2.85Å; K309-K330 VanDerWaalsContact O-N 3.09Å
310K75.8Confident76.5Confident115 Ų11555.7 Ų55.750%0.529%0.292SS..EExtended strand (participates in β ladder)trans-132127168.2-66.5-174.4176.4-176.10108K289 K290 G291 K330K289-K310 PolarHBondContact O-N 2.82Å; K290-K310 VanDerWaalsContact CA-O 3.27Å; K290-K310 WeakPolarHBondContact CA-O 2.86Å; K290-K310 HydrophobicContact CG-CB 4.34Å; G291-K310 PolarHBondContact N-O 3.1Å; G291-K310 VanDerWaalsContact N-O 3.1Å; K310-K330 VanDerWaalsContact CA-O 3.24Å; K310-K330 WeakPolarHBondContact CA-O 3.39Å; K310-K330 HydrophobicContact CG-CB 4.33Å
311G66.4Low76.1Confident16 Ų1651.1 Ų51.117%0.16528%0.278CS..EExtended strand (participates in β ladder)trans-169.8158.3175.100000115.1G291 K330 G331 E332G291-G311 WeakPolarHBondContact O-CA 2.81Å; G311-K330 PolarHBondContact N-O 2.92Å; G311-K330 VanDerWaalsContact N-O 3.09Å; G311-G331 CarbonylContact O-C 3.51Å; G311-G331 WeakPolarHBondContact O-CA 3.33Å; G311-E332 PolarHBondContact O-N 3.47Å
312E72.2Confident76.2Confident95 Ų9554.8 Ų54.844%0.44429%0.291SS..EExtended strand (participates in β ladder)trans-124143.1-178.7-62.8176.3-16900109.6G291 E292 G293 E332G291-E312 PolarHBondContact O-N 2.94Å; E292-E312 CarbonylContact C-O 3.47Å; E292-E312 VanDerWaalsContact CA-O 3.31Å; E292-E312 WeakPolarHBondContact CA-O 3.41Å; E292-E312 HydrophobicContact CG-CB 4.25Å; G293-E312 PolarHBondContact N-O 3.28Å; E312-E332 CarbonylContact C-O 3.55Å; E312-E332 VanDerWaalsContact CA-O 3.31Å; E312-E332 WeakPolarHBondContact CA-O 3.36Å; E312-E332 HydrophobicContact CG-CB 4.27Å
313G70.4Confident76.2Confident26 Ų2652 Ų5227%0.26829%0.287SS..  trans7343.2168.500000116.1Q315 E332 G333G313-Q315 PolarHBondContact O-N 3.32Å; G313-E332 PolarHBondContact N-O 3.03Å; G313-G333 WeakPolarHBondContact CA-O 2.8Å
314A82.1Confident76.7Confident22 Ų2251.8 Ų51.818%0.18228%0.282CS..  trans-78.2118.7172.100000110.7A294 N306 N326 G333 A334 Q335A294-A314 CarbonylContact O-C 3.54Å; A294-A314 WeakPolarHBondContact O-CA 2.94Å; N306-A314 HydrophobicContact CB-CB 4Å; A314-N326 HydrophobicContact CB-CB 4.32Å; A314-G333 PolarHBondContact N-O 3.01Å; A314-A334 CarbonylContact O-C 3.57Å; A314-A334 WeakPolarHBondContact O-CA 3.37Å; A314-Q335 PolarHBondContact O-N 3.3Å
315Q85.2Confident76.9Confident45 Ų4552.9 Ų52.921%0.2128%0.284CS..EExtended strand (participates in β ladder)trans-127.9129.3-175.6-59.2-178.8-38.300112.6A294 Q295 N296 G313 Q335A294-Q315 PolarHBondContact O-N 3.04Å; Q295-Q315 CarbonylContact C-O 3.56Å; Q295-Q315 VanDerWaalsContact CA-O 3.28Å; Q295-Q315 WeakPolarHBondContact CA-O 3.31Å; Q295-Q315 HydrophobicContact CG-CB 4.27Å; N296-Q315 PolarHBondContact N-O 3.05Å; G313-Q315 PolarHBondContact O-N 3.32Å; Q315-Q335 CarbonylContact C-O 3.59Å; Q315-Q335 VanDerWaalsContact CA-O 3.32Å; Q315-Q335 WeakPolarHBondContact CA-O 3.28Å; Q315-Q335 HydrophobicContact CG-CB 4.27Å
316N85.1Confident76.9Confident6 Ų651.1 Ų51.13%0.03228%0.276CS..EExtended strand (participates in β ladder)trans-117.4125.1169.3-58.3-52.6000109.7N296 A304 N306 A324 N326 Q335 N336 Q337N296-N316 WeakPolarHBondContact CB-OD1 3.25Å; N296-N316 PolarHBondContact ND2-OD1 3.09Å; N296-N316 CarbonylContact O-C 3.36Å; N296-N316 WeakPolarHBondContact O-CA 3.42Å; A304-N316 HydrophobicContact CB-CB 4.38Å; N306-N316 PolarHBondContact ND2-OD1 3.47Å; N316-A324 HydrophobicContact CB-CB 3.81Å; N316-N326 PolarHBondContact ND2-OD1 2.82Å; N316-Q335 PolarHBondContact N-O 2.92Å; N316-N336 WeakPolarHBondContact CB-OD1 3.41Å; N316-N336 PolarHBondContact ND2-OD1 3.02Å; N316-N336 CarbonylContact O-C 3.55Å; N316-N336 WeakPolarHBondContact O-CA 3.26Å; N316-Q337 PolarHBondContact O-N 3.41Å
317Q81.5Confident76.8Confident71 Ų7154.1 Ų54.133%0.33229%0.29SS..EExtended strand (participates in β ladder)trans-126.2129.2-179.6-59.2-173.615.400112.1N296 Q297 A298 Q337N296-Q317 PolarHBondContact O-N 3.08Å; Q297-Q317 WeakPolarHBondContact CA-O 3.22Å; Q297-Q317 HydrophobicContact CG-CB 4.35Å; A298-Q317 PolarHBondContact N-O 3.02Å; Q317-Q337 CarbonylContact C-O 3.53Å; Q317-Q337 WeakPolarHBondContact CA-O 2.97Å; Q317-Q337 HydrophobicContact CG-CB 4.38Å
318G72.8Confident76.5Confident21 Ų2152 Ų5222%0.21628%0.283CS..EExtended strand (participates in β ladder)trans-137.4142-17700000114.6A298 Q337 A338 K339A298-G318 VanDerWaalsContact O-CA 3.26Å; A298-G318 WeakPolarHBondContact O-CA 3.48Å; G318-Q337 PolarHBondContact N-O 2.58Å; G318-A338 WeakPolarHBondContact O-CA 3.33Å; G318-K339 PolarHBondContact O-N 2.84Å
319K72.8Confident76.4Confident109 Ų10956 Ų5647%0.47430%0.295SS..EExtended strand (participates in β ladder)trans-80.9-42.2164.2-62.5-171.7-179.4-172.30111.5A298 K299 K339 K340A298-K319 PolarHBondContact O-N 2.96Å; K299-K319 HydrophobicContact CG-CD 4.47Å; K299-K319 WeakPolarHBondContact O-CB 3.33Å; K319-K339 HydrophobicContact CG-CD 4.37Å; K319-K339 WeakPolarHBondContact O-CB 3.01Å; K319-K340 PolarHBondContact O-N 3.03Å; K319-K340 VanDerWaalsContact O-N 3.11Å
320K71.5Confident76.3Confident118 Ų11855.8 Ų55.851%0.51329%0.294SS..EExtended strand (participates in β ladder)trans-135.6122170.7-73-174.5179.5-178.90108.3K299 K300 G301 K340K299-K320 PolarHBondContact O-N 2.89Å; K299-K320 VanDerWaalsContact O-N 3.08Å; K300-K320 CarbonylContact C-O 3.54Å; K300-K320 VanDerWaalsContact CA-O 3.23Å; K300-K320 WeakPolarHBondContact CA-O 3.39Å; K300-K320 HydrophobicContact CG-CB 4.23Å; G301-K320 PolarHBondContact N-O 2.81Å; G301-K320 VanDerWaalsContact N-O 3.07Å; K320-K340 VanDerWaalsContact CA-O 3.23Å; K320-K340 WeakPolarHBondContact CA-O 3.29Å; K320-K340 HydrophobicContact CG-CB 4.33Å
321G64.4Low75.8Confident21 Ų2150.9 Ų50.922%0.21628%0.276CS..EExtended strand (participates in β ladder)trans-177.3156.317700000114.9G301 K340 G341G301-G321 WeakPolarHBondContact O-CA 3.19Å; G321-K340 PolarHBondContact N-O 2.79Å; G321-K340 VanDerWaalsContact N-O 3.17Å; G321-G341 VanDerWaalsContact O-CA 3.31Å; G321-G341 WeakPolarHBondContact O-CA 3.37Å
322E67.9Low76Confident91 Ų9154.2 Ų54.243%0.42529%0.287SS..EExtended strand (participates in β ladder)trans-123143.8-175.7-63.9172.3-170.500110.2G301 E302 G303 E342G301-E322 PolarHBondContact O-N 2.93Å; E302-E322 WeakPolarHBondContact CA-O 2.99Å; E302-E322 HydrophobicContact CG-CB 4.27Å; G303-E322 PolarHBondContact N-O 3.46Å; E322-E342 VanDerWaalsContact CA-O 3.31Å; E322-E342 WeakPolarHBondContact CA-O 3.4Å; E322-E342 HydrophobicContact CG-CB 4.1Å
323G69.2Low75.9Confident33 Ų3351 Ų5134%0.3428%0.279SS..  trans75.242.2165.300000116.1E342 G343G323-E342 PolarHBondContact N-O 3.27Å; G323-E342 VanDerWaalsContact N-O 3.13Å; G323-G343 WeakPolarHBondContact CA-O 3.29Å; G323-G343 PolarHBondContact N-O 2.93Å
324A81.5Confident76.4Confident20 Ų2050.7 Ų50.717%0.16527%0.274CS..EExtended strand (participates in β ladder)trans-74.7124.2171.700000110.7A304 N316 N336 G343 G344 Q345A304-A324 CarbonylContact O-C 3.59Å; A304-A324 WeakPolarHBondContact O-CA 3.31Å; N316-A324 HydrophobicContact CB-CB 3.81Å; A324-N336 HydrophobicContact CB-CB 4.25Å; A324-G343 PolarHBondContact N-O 2.78Å; A324-G344 CarbonylContact O-C 3.6Å; A324-G344 WeakPolarHBondContact O-CA 3.35Å; A324-Q345 PolarHBondContact O-N 2.93Å
325Q85.2Confident76.6Confident44 Ų4451.7 Ų51.721%0.20628%0.276CS..EExtended strand (participates in β ladder)trans-126.4130.4-177.3-57-177.3-44.300112.2A304 Q305 N306 Q345A304-Q325 PolarHBondContact O-N 2.83Å; Q305-Q325 CarbonylContact C-O 3.53Å; Q305-Q325 VanDerWaalsContact CA-O 3.31Å; Q305-Q325 WeakPolarHBondContact CA-O 3.39Å; Q305-Q325 HydrophobicContact CG-CB 4.27Å; N306-Q325 PolarHBondContact N-O 2.95Å; Q325-Q345 CarbonylContact C-O 3.45Å; Q325-Q345 VanDerWaalsContact CA-O 3.3Å; Q325-Q345 WeakPolarHBondContact CA-O 3.46Å; Q325-Q345 HydrophobicContact CG-CB 4.19Å
326N85.5Confident76.5Confident5 Ų549.9 Ų49.93%0.02727%0.267CS..EExtended strand (participates in β ladder)trans-119.2124.7168.6-58.1-52.5000109.5N306 A314 N316 A334 N336 Q345 N346 Q347N306-N326 WeakPolarHBondContact CB-OD1 3.45Å; N306-N326 PolarHBondContact ND2-OD1 2.98Å; N306-N326 CarbonylContact O-C 3.57Å; N306-N326 WeakPolarHBondContact O-CA 3.41Å; A314-N326 HydrophobicContact CB-CB 4.32Å; N316-N326 PolarHBondContact ND2-OD1 2.82Å; N326-A334 HydrophobicContact CB-CB 3.95Å; N326-N336 PolarHBondContact ND2-OD1 3.29Å; N326-Q345 PolarHBondContact N-O 3.29Å; N326-N346 WeakPolarHBondContact CB-OD1 3.24Å; N326-N346 PolarHBondContact ND2-OD1 2.95Å; N326-N346 CarbonylContact O-C 3.56Å; N326-N346 WeakPolarHBondContact O-CA 3.32Å; N326-Q347 PolarHBondContact O-N 2.86Å
327Q83.5Confident76.3Confident69 Ų6952.8 Ų52.832%0.32228%0.281SS..EExtended strand (participates in β ladder)trans-124.5128.2178-59.9-172.810.500111N306 Q307 A308 Q347N306-Q327 PolarHBondContact O-N 2.83Å; Q307-Q327 WeakPolarHBondContact CA-O 3.37Å; Q307-Q327 HydrophobicContact CG-CB 4.36Å; A308-Q327 PolarHBondContact N-O 2.89Å; Q327-Q347 CarbonylContact C-O 3.6Å; Q327-Q347 WeakPolarHBondContact CA-O 3.33Å; Q327-Q347 HydrophobicContact CG-CB 4.34Å
328S78.4Confident76Confident29 Ų2950.8 Ų50.820%0.20328%0.276CS..EExtended strand (participates in β ladder)trans-137.3148.5174.375.70000113.8A308 Q347 A348 K349A308-S328 WeakPolarHBondContact O-CA 3.34Å; S328-Q347 PolarHBondContact N-O 2.91Å; S328-A348 VanDerWaalsContact O-CA 3.31Å; S328-A348 WeakPolarHBondContact O-CA 3.38Å; S328-K349 PolarHBondContact O-N 2.94Å
329K75.9Confident75.8Confident112 Ų11256 Ų5649%0.48729%0.293SS..EExtended strand (participates in β ladder)trans-80.9-44.9167.4-65.4-174.5-179.5-174.80110.6A308 K309 K349 K350A308-K329 PolarHBondContact O-N 3.42Å; K309-K329 HydrophobicContact CG-CD 4.48Å; K309-K329 WeakPolarHBondContact O-CB 3.48Å; K329-K349 HydrophobicContact CG-CD 4.45Å; K329-K349 WeakPolarHBondContact O-CB 2.9Å; K329-K350 PolarHBondContact O-N 3.2Å; K329-K350 VanDerWaalsContact O-N 3.07Å
330K75Confident75.7Confident104 Ų10456.6 Ų56.645%0.45230%0.295SS..EExtended strand (participates in β ladder)trans-131.9127.6169.1-167-171.9177.9-158.60108.3K309 K310 G311 K350K309-K330 PolarHBondContact O-N 2.85Å; K309-K330 VanDerWaalsContact O-N 3.09Å; K310-K330 VanDerWaalsContact CA-O 3.24Å; K310-K330 WeakPolarHBondContact CA-O 3.39Å; K310-K330 HydrophobicContact CG-CB 4.33Å; G311-K330 PolarHBondContact N-O 2.92Å; G311-K330 VanDerWaalsContact N-O 3.09Å; K330-K350 VanDerWaalsContact CA-O 3.23Å; K330-K350 WeakPolarHBondContact CA-O 3.31Å
331G65.7Low75.3Confident11 Ų1151.8 Ų51.811%0.11328%0.279CS..EExtended strand (participates in β ladder)trans-175.5162.3175.800000115.2G311 K350 G351 E352G311-G331 CarbonylContact O-C 3.51Å; G311-G331 WeakPolarHBondContact O-CA 3.33Å; G331-K350 PolarHBondContact N-O 3.04Å; G331-K350 VanDerWaalsContact N-O 3.11Å; G331-G351 WeakPolarHBondContact O-CA 2.89Å; G331-E352 PolarHBondContact O-N 3.16Å
332E70.3Confident75.2Confident86 Ų8655.9 Ų55.940%0.40229%0.293SS..EExtended strand (participates in β ladder)trans-125.3141.8-177.9-64.8171.8-161.800109.6G311 E312 G313 E352G311-E332 PolarHBondContact O-N 3.47Å; E312-E332 CarbonylContact C-O 3.55Å; E312-E332 VanDerWaalsContact CA-O 3.31Å; E312-E332 WeakPolarHBondContact CA-O 3.36Å; E312-E332 HydrophobicContact CG-CB 4.27Å; G313-E332 PolarHBondContact N-O 3.03Å; E332-E352 WeakPolarHBondContact CA-O 3.4Å; E332-E352 HydrophobicContact CG-CB 4.32Å
333G70.3Confident75.1Confident27 Ų2752.6 Ų52.628%0.27828%0.283SS..EExtended strand (participates in β ladder)trans74.554.5168.700000115.9G313 A314 E352 G353G313-G333 WeakPolarHBondContact CA-O 2.8Å; A314-G333 PolarHBondContact N-O 3.01Å; G333-E352 PolarHBondContact N-O 3.08Å; G333-G353 CarbonylContact C-O 3.54Å; G333-G353 VanDerWaalsContact CA-O 3.29Å; G333-G353 WeakPolarHBondContact CA-O 2.87Å
334A81.5Confident75.3Confident20 Ų2051.5 Ų51.517%0.16527%0.272CS..EExtended strand (participates in β ladder)trans-87.1119.4170.700000110.5A314 N326 N346 G353 A354 Q355A314-A334 CarbonylContact O-C 3.57Å; A314-A334 WeakPolarHBondContact O-CA 3.37Å; N326-A334 HydrophobicContact CB-CB 3.95Å; A334-N346 HydrophobicContact CB-CB 4.2Å; A334-G353 PolarHBondContact N-O 2.99Å; A334-G353 VanDerWaalsContact N-O 3.14Å; A334-A354 CarbonylContact O-C 3.57Å; A334-A354 WeakPolarHBondContact O-CA 3.32Å; A334-Q355 PolarHBondContact O-N 3.25Å
335Q84.8Confident75.3Confident44 Ų4453 Ų5321%0.20628%0.276CS..EExtended strand (participates in β ladder)trans-127.5129.5-176-58.8-177.3-36.100112.6A314 Q315 N316 Q355A314-Q335 PolarHBondContact O-N 3.3Å; Q315-Q335 CarbonylContact C-O 3.59Å; Q315-Q335 VanDerWaalsContact CA-O 3.32Å; Q315-Q335 WeakPolarHBondContact CA-O 3.28Å; Q315-Q335 HydrophobicContact CG-CB 4.27Å; N316-Q335 PolarHBondContact N-O 2.92Å; Q335-Q355 CarbonylContact C-O 3.59Å; Q335-Q355 VanDerWaalsContact CA-O 3.28Å; Q335-Q355 WeakPolarHBondContact CA-O 3.08Å; Q335-Q355 HydrophobicContact CG-CB 4.24Å
336N83.8Confident75.1Confident7 Ų751.2 Ų51.24%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-118.2125.9168.2-56.4-52.8000109.8N316 A324 N326 N346 Q355 N356 Q357N316-N336 WeakPolarHBondContact CB-OD1 3.41Å; N316-N336 PolarHBondContact ND2-OD1 3.02Å; N316-N336 CarbonylContact O-C 3.55Å; N316-N336 WeakPolarHBondContact O-CA 3.26Å; A324-N336 HydrophobicContact CB-CB 4.25Å; N326-N336 PolarHBondContact ND2-OD1 3.29Å; N336-N346 PolarHBondContact ND2-OD1 2.8Å; N336-Q355 PolarHBondContact N-O 3.26Å; N336-N356 WeakPolarHBondContact CB-OD1 3.21Å; N336-N356 PolarHBondContact ND2-OD1 3.47Å; N336-N356 CarbonylContact O-C 3.57Å; N336-N356 WeakPolarHBondContact O-CA 3.03Å; N336-Q357 PolarHBondContact O-N 3.13Å
337Q80.6Confident74.8Confident67 Ų6754.2 Ų54.231%0.31328%0.281SS..EExtended strand (participates in β ladder)trans-125.9124.2178.7-58.7-17318.800111.3N316 Q317 G318 Q357N316-Q337 PolarHBondContact O-N 3.41Å; Q317-Q337 CarbonylContact C-O 3.53Å; Q317-Q337 WeakPolarHBondContact CA-O 2.97Å; Q317-Q337 HydrophobicContact CG-CB 4.38Å; G318-Q337 PolarHBondContact N-O 2.58Å; Q337-Q357 WeakPolarHBondContact CA-O 2.92Å; Q337-Q357 HydrophobicContact CG-CB 4.28Å
338A74.4Confident74.4Confident28 Ų2852.1 Ų52.123%0.23128%0.275CS..EExtended strand (participates in β ladder)trans-131.7136.717800000112.5G318 Q357 A358 K359G318-A338 WeakPolarHBondContact O-CA 3.33Å; A338-Q357 PolarHBondContact N-O 3.19Å; A338-A358 VanDerWaalsContact O-CA 3.3Å; A338-A358 WeakPolarHBondContact O-CA 2.82Å; A338-K359 PolarHBondContact O-N 3.36Å; A338-K359 VanDerWaalsContact O-N 3.11Å
339K70.2Confident74.1Confident131 Ų13156.2 Ų56.257%0.5729%0.289SS*.EExtended strand (participates in β ladder)trans-77.4-34.9169.4-71.2-175.4179.7-177.50112.3G318 K319 K359 K360G318-K339 PolarHBondContact O-N 2.84Å; K319-K339 HydrophobicContact CG-CD 4.37Å; K319-K339 WeakPolarHBondContact O-CB 3.01Å; K339-K359 WeakPolarHBondContact O-CB 2.88Å; K339-K360 PolarHBondContact O-N 2.95Å
340K69.5Low73.8Confident122 Ų12256.6 Ų56.653%0.5329%0.291SS..EExtended strand (participates in β ladder)trans-150.9131.2174.1-168.4-174.3-178.7-166.60108.6K319 K320 G321 K360K319-K340 PolarHBondContact O-N 3.03Å; K319-K340 VanDerWaalsContact O-N 3.11Å; K320-K340 VanDerWaalsContact CA-O 3.23Å; K320-K340 WeakPolarHBondContact CA-O 3.29Å; K320-K340 HydrophobicContact CG-CB 4.33Å; G321-K340 PolarHBondContact N-O 2.79Å; G321-K340 VanDerWaalsContact N-O 3.17Å; K340-K360 WeakPolarHBondContact CA-O 3.26Å
341G62.8Low73.3Confident17 Ų1752.4 Ų52.418%0.17528%0.277CS..  trans147.4172171.400000113.6G321 K360 G361G321-G341 VanDerWaalsContact O-CA 3.31Å; G321-G341 WeakPolarHBondContact O-CA 3.37Å; G341-K360 PolarHBondContact N-O 3.38Å; G341-G361 WeakPolarHBondContact O-CA 3.35Å
342E63.9Low73.3Confident107 Ų10756.7 Ų56.750%0.529%0.294SS..SBendtrans-93.8139.8-175.6-63.2179.7-177.400112E322 G323E322-E342 VanDerWaalsContact CA-O 3.31Å; E322-E342 WeakPolarHBondContact CA-O 3.4Å; E322-E342 HydrophobicContact CG-CB 4.1Å; G323-E342 PolarHBondContact N-O 3.27Å; G323-E342 VanDerWaalsContact N-O 3.13Å
343G65Low73.2Confident21 Ų2153.8 Ų53.822%0.21629%0.288CS..  trans67.9101.1153.500000117.3G323 A324 E362 G363G323-G343 WeakPolarHBondContact CA-O 3.29Å; G323-G343 PolarHBondContact N-O 2.93Å; A324-G343 PolarHBondContact N-O 2.78Å; G343-E362 PolarHBondContact N-O 2.88Å; G343-G363 WeakPolarHBondContact CA-O 3.43Å
344G73.5Confident73.5Confident10 Ų1053.4 Ų53.410%0.10328%0.282CS..EExtended strand (participates in β ladder)trans-102.3127.8154.700000109.5A324 N356 A364 Q365A324-G344 CarbonylContact O-C 3.6Å; A324-G344 WeakPolarHBondContact O-CA 3.35Å; G344-N356 PolarHBondContact O-ND2 3.5Å; G344-A364 WeakPolarHBondContact O-CA 3.03Å; G344-Q365 PolarHBondContact O-N 2.96Å
345Q80.9Confident73.4Confident53 Ų5354.5 Ų54.525%0.24828%0.283CS..EExtended strand (participates in β ladder)trans-115.5122176.2-58.9-175.2-14.800111.2A324 Q325 N326 Q365A324-Q345 PolarHBondContact O-N 2.93Å; Q325-Q345 CarbonylContact C-O 3.45Å; Q325-Q345 VanDerWaalsContact CA-O 3.3Å; Q325-Q345 WeakPolarHBondContact CA-O 3.46Å; Q325-Q345 HydrophobicContact CG-CB 4.19Å; N326-Q345 PolarHBondContact N-O 3.29Å; Q345-Q365 CarbonylContact C-O 3.58Å; Q345-Q365 VanDerWaalsContact CA-O 3.23Å; Q345-Q365 WeakPolarHBondContact CA-O 3.4Å; Q345-Q365 HydrophobicContact CG-CB 4.25Å; Q345-Q365 VanDerWaalsContact NE2-OE1 3.08Å
346N82.3Confident73.1Confident5 Ų552.8 Ų52.83%0.02728%0.276CS..EExtended strand (participates in β ladder)trans-115.9124.3170.9-56-53.3000110N326 A334 N336 A354 N356 Q365 N366 Q367N326-N346 WeakPolarHBondContact CB-OD1 3.24Å; N326-N346 PolarHBondContact ND2-OD1 2.95Å; N326-N346 CarbonylContact O-C 3.56Å; N326-N346 WeakPolarHBondContact O-CA 3.32Å; A334-N346 HydrophobicContact CB-CB 4.2Å; N336-N346 PolarHBondContact ND2-OD1 2.8Å; N346-A354 HydrophobicContact CB-CB 3.96Å; N346-N356 PolarHBondContact ND2-OD1 3.11Å; N346-Q365 PolarHBondContact N-O 3.09Å; N346-N366 WeakPolarHBondContact CB-OD1 2.96Å; N346-N366 PolarHBondContact ND2-OD1 3.34Å; N346-N366 CarbonylContact O-C 3.6Å; N346-N366 VanDerWaalsContact O-CA 3.31Å; N346-N366 WeakPolarHBondContact O-CA 3.41Å; N346-Q367 PolarHBondContact O-N 3.04Å
347Q79.1Confident72.7Confident68 Ų6855.6 Ų55.632%0.31829%0.289SS..EExtended strand (participates in β ladder)trans-123.3123.9177.6-59.8-173.715.100111N326 Q327 S328 Q367N326-Q347 PolarHBondContact O-N 2.86Å; Q327-Q347 CarbonylContact C-O 3.6Å; Q327-Q347 WeakPolarHBondContact CA-O 3.33Å; Q327-Q347 HydrophobicContact CG-CB 4.34Å; S328-Q347 PolarHBondContact N-O 2.91Å; Q347-Q367 WeakPolarHBondContact CA-O 3.48Å; Q347-Q367 HydrophobicContact CG-CB 4.31Å
348A74.9Confident72.2Confident25 Ų2553.6 Ų53.621%0.20728%0.284CS..EExtended strand (participates in β ladder)trans-132.1138.117700000112.1S328 Q367 A368 K369S328-A348 VanDerWaalsContact O-CA 3.31Å; S328-A348 WeakPolarHBondContact O-CA 3.38Å; A348-Q367 PolarHBondContact N-O 2.9Å; A348-A368 VanDerWaalsContact O-CA 3.3Å; A348-A368 WeakPolarHBondContact O-CA 3.34Å; A348-K369 PolarHBondContact O-N 3.4Å
349K71.1Confident71.9Confident115 Ų11558.3 Ų58.350%0.530%0.299SS..EExtended strand (participates in β ladder)trans-77.4-39167.6-65.8-174.1-177.6-173.90111.5S328 K329 K369 K370S328-K349 PolarHBondContact O-N 2.94Å; K329-K349 HydrophobicContact CG-CD 4.45Å; K329-K349 WeakPolarHBondContact O-CB 2.9Å; K349-K369 HydrophobicContact CG-CD 4.48Å; K349-K369 WeakPolarHBondContact O-CB 3.3Å; K349-K370 PolarHBondContact O-N 2.81Å
350K70.2Confident71.7Confident121 Ų12157.6 Ų57.653%0.52630%0.296SS..EExtended strand (participates in β ladder)trans-142.4122171-172.5179.6179.2-176.10108.2K329 K330 G331 K370K329-K350 PolarHBondContact O-N 3.2Å; K329-K350 VanDerWaalsContact O-N 3.07Å; K330-K350 VanDerWaalsContact CA-O 3.23Å; K330-K350 WeakPolarHBondContact CA-O 3.31Å; G331-K350 PolarHBondContact N-O 3.04Å; G331-K350 VanDerWaalsContact N-O 3.11Å; K350-K370 VanDerWaalsContact CA-O 3.3Å; K350-K370 WeakPolarHBondContact CA-O 3.3Å
351G63.9Low71.3Confident15 Ų1552.5 Ų52.516%0.15528%0.278CS..EExtended strand (participates in β ladder)trans-178.1159.5-179.700000114.6G331 K370 G371G331-G351 WeakPolarHBondContact O-CA 2.89Å; G351-K370 PolarHBondContact N-O 2.79Å; G351-K370 VanDerWaalsContact N-O 3.09Å; G351-G371 WeakPolarHBondContact O-CA 2.99Å
352E66.4Low71.3Confident101 Ų10156.6 Ų56.647%0.47229%0.293SS..EExtended strand (participates in β ladder)trans-118.6145-179.6-69.2166.2-157.400109.9G331 E332 G333 E372G331-E352 PolarHBondContact O-N 3.16Å; E332-E352 WeakPolarHBondContact CA-O 3.4Å; E332-E352 HydrophobicContact CG-CB 4.32Å; G333-E352 PolarHBondContact N-O 3.08Å; E352-E372 WeakPolarHBondContact CA-O 3Å; E352-E372 HydrophobicContact CG-CB 4.41Å
353G67.4Low71.3Confident26 Ų2652.7 Ų52.727%0.26828%0.282SS..EExtended strand (participates in β ladder)trans75.561167.700000115.9G333 A334 E372 G373G333-G353 CarbonylContact C-O 3.54Å; G333-G353 VanDerWaalsContact CA-O 3.29Å; G333-G353 WeakPolarHBondContact CA-O 2.87Å; A334-G353 PolarHBondContact N-O 2.99Å; A334-G353 VanDerWaalsContact N-O 3.14Å; G353-E372 PolarHBondContact N-O 3.42Å; G353-G373 WeakPolarHBondContact CA-O 3.49Å
354A76.6Confident71.7Confident18 Ų1852.4 Ų52.415%0.14928%0.277CS..EExtended strand (participates in β ladder)trans-91.9120167.700000110.2A334 N346 N366 G373 V374 Q375A334-A354 CarbonylContact O-C 3.57Å; A334-A354 WeakPolarHBondContact O-CA 3.32Å; N346-A354 HydrophobicContact CB-CB 3.96Å; A354-N366 HydrophobicContact CB-CB 4.43Å; A354-G373 PolarHBondContact N-O 3.48Å; A354-V374 WeakPolarHBondContact O-CA 3.33Å; A354-Q375 PolarHBondContact O-N 3.26Å
355Q80Confident71.9Confident43 Ų4354.4 Ų54.420%0.20128%0.284CS..EExtended strand (participates in β ladder)trans-126.8128.7-177.6-57.6-175.9-31.400112.4A334 Q335 N336 Q375A334-Q355 PolarHBondContact O-N 3.25Å; Q335-Q355 CarbonylContact C-O 3.59Å; Q335-Q355 VanDerWaalsContact CA-O 3.28Å; Q335-Q355 WeakPolarHBondContact CA-O 3.08Å; Q335-Q355 HydrophobicContact CG-CB 4.24Å; N336-Q355 PolarHBondContact N-O 3.26Å; Q355-Q375 CarbonylContact C-O 3.5Å; Q355-Q375 VanDerWaalsContact CA-O 3.27Å; Q355-Q375 WeakPolarHBondContact CA-O 2.9Å; Q355-Q375 HydrophobicContact CG-CB 4.23Å; Q355-Q375 VanDerWaalsContact NE2-OE1 3.15Å
356N78.4Confident71.7Confident8 Ų852 Ų524%0.04327%0.273CS..EExtended strand (participates in β ladder)trans-118126.5168.5-58.4-51.3000109.7N336 G344 N346 A364 N366 Q375 N376 Q377N336-N356 WeakPolarHBondContact CB-OD1 3.21Å; N336-N356 PolarHBondContact ND2-OD1 3.47Å; N336-N356 CarbonylContact O-C 3.57Å; N336-N356 WeakPolarHBondContact O-CA 3.03Å; G344-N356 PolarHBondContact O-ND2 3.5Å; N346-N356 PolarHBondContact ND2-OD1 3.11Å; N356-A364 HydrophobicContact CB-CB 3.8Å; N356-N366 PolarHBondContact ND2-ND2 2.96Å; N356-N366 PolarHBondContact ND2-OD1 3Å; N356-Q375 PolarHBondContact N-O 3.16Å; N356-N376 WeakPolarHBondContact CB-OD1 3.27Å; N356-N376 PolarHBondContact ND2-OD1 3.36Å; N356-N376 VanDerWaalsContact ND2-OD1 3.11Å; N356-N376 WeakPolarHBondContact O-CA 3.3Å; N356-Q377 PolarHBondContact O-N 3.22Å
357Q75.9Confident71.3Confident67 Ų6755.2 Ų55.231%0.31329%0.287SS..EExtended strand (participates in β ladder)trans-123.4123.4178-57.3-172.516.900111.1N336 Q337 A338 Q377N336-Q357 PolarHBondContact O-N 3.13Å; Q337-Q357 WeakPolarHBondContact CA-O 2.92Å; Q337-Q357 HydrophobicContact CG-CB 4.28Å; A338-Q357 PolarHBondContact N-O 3.19Å; Q357-Q377 WeakPolarHBondContact CA-O 3.41Å; Q357-Q377 HydrophobicContact CG-CB 4.3Å
358A70.4Confident70.8Confident25 Ų2552.9 Ų52.921%0.20728%0.28CS..EExtended strand (participates in β ladder)trans-130.2134.8178.200000112.4A338 Q377 A378 K379A338-A358 VanDerWaalsContact O-CA 3.3Å; A338-A358 WeakPolarHBondContact O-CA 2.82Å; A358-Q377 PolarHBondContact N-O 3.01Å; A358-A378 WeakPolarHBondContact O-CA 3.33Å; A358-K379 PolarHBondContact O-N 2.84Å
359K67Low70.3Confident127 Ų12756.5 Ų56.555%0.55229%0.291SS*.SBendtrans-79-33.3171.6-174.3177-175.4-177.80111.9A338 K339 K379 K380A338-K359 PolarHBondContact O-N 3.36Å; A338-K359 VanDerWaalsContact O-N 3.11Å; K339-K359 WeakPolarHBondContact O-CB 2.88Å; K359-K379 HydrophobicContact CG-CB 4.29Å; K359-K379 HydrophobicContact CG-CD 4.15Å; K359-K380 PolarHBondContact O-N 2.97Å
360K65.9Low70.1Confident115 Ų11556.7 Ų56.750%0.529%0.292SS..SBendtrans-150.7126.9169.3-77.4-172.6174.1-168.60107.8K339 K340 G341 K380K339-K360 PolarHBondContact O-N 2.95Å; K340-K360 WeakPolarHBondContact CA-O 3.26Å; G341-K360 PolarHBondContact N-O 3.38Å; K360-K380 HydrophobicContact CG-CB 4.2Å
361G61.6Low69.6Low16 Ų1651.9 Ų51.917%0.16528%0.277CS..  trans167.2158.9-179.600000113.4G341 G381G341-G361 WeakPolarHBondContact O-CA 3.35Å; G361-G381 VanDerWaalsContact O-O 3.11Å
362E62.9Low69.5Low102 Ų10255.8 Ų55.848%0.47729%0.291SS..SBendtrans-111.2157.6-179.6-71.8166.8-157.300111G343G343-E362 PolarHBondContact N-O 2.88Å
363G64.5Low69.4Low26 Ų2652.1 Ų52.127%0.26828%0.28SS..  trans79.233.7156.600000118.7G343 Q365 E383G343-G363 WeakPolarHBondContact CA-O 3.43Å; G363-Q365 PolarHBondContact O-N 2.92Å; G363-E383 PolarHBondContact N-O 3.15Å; G363-E383 VanDerWaalsContact N-O 3.16Å
364A73.8Confident69.5Low15 Ų1551.5 Ų51.512%0.12427%0.271CS..  trans-70.4119172.400000111.5G344 N356 A385 Q386G344-A364 WeakPolarHBondContact O-CA 3.03Å; N356-A364 HydrophobicContact CB-CB 3.8Å; A364-A385 CarbonylContact O-C 3.59Å; A364-A385 VanDerWaalsContact O-CA 3.26Å; A364-A385 WeakPolarHBondContact O-CA 3.45Å; A364-Q386 PolarHBondContact O-N 3.42Å
365Q75.8Confident69.4Low51 Ų5152.7 Ų52.724%0.23827%0.274CS..EExtended strand (participates in β ladder)trans-119.1130.4-179.4-60.4-177.2-34.100111.7G344 Q345 N346 G363 Q386G344-Q365 PolarHBondContact O-N 2.96Å; Q345-Q365 CarbonylContact C-O 3.58Å; Q345-Q365 VanDerWaalsContact CA-O 3.23Å; Q345-Q365 WeakPolarHBondContact CA-O 3.4Å; Q345-Q365 HydrophobicContact CG-CB 4.25Å; Q345-Q365 VanDerWaalsContact NE2-OE1 3.08Å; N346-Q365 PolarHBondContact N-O 3.09Å; G363-Q365 PolarHBondContact O-N 2.92Å; Q365-Q386 CarbonylContact C-O 3.59Å; Q365-Q386 VanDerWaalsContact CA-O 3.27Å; Q365-Q386 WeakPolarHBondContact CA-O 3.27Å; Q365-Q386 HydrophobicContact CG-CB 4.24Å
366N77Confident69.1Low3 Ų351.1 Ų51.12%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-126.4129172.1-58.3-58.7000110N346 A354 N356 V374 N376 Q386 N387 Q388N346-N366 WeakPolarHBondContact CB-OD1 2.96Å; N346-N366 PolarHBondContact ND2-OD1 3.34Å; N346-N366 CarbonylContact O-C 3.6Å; N346-N366 VanDerWaalsContact O-CA 3.31Å; N346-N366 WeakPolarHBondContact O-CA 3.41Å; A354-N366 HydrophobicContact CB-CB 4.43Å; N356-N366 PolarHBondContact ND2-ND2 2.96Å; N356-N366 PolarHBondContact ND2-OD1 3Å; N366-V374 HydrophobicContact CB-CG1 3.34Å; N366-V374 VanDerWaalsContact CG-CG1 3.5Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.31Å; N366-N376 PolarHBondContact ND2-OD1 3.01Å; N366-Q386 PolarHBondContact N-O 3.17Å; N366-N387 WeakPolarHBondContact CB-OD1 3.33Å; N366-N387 PolarHBondContact ND2-OD1 3.4Å; N366-N387 CarbonylContact O-C 3.56Å; N366-N387 VanDerWaalsContact O-CA 3.3Å; N366-N387 WeakPolarHBondContact O-CA 3.37Å; N366-Q388 PolarHBondContact O-N 3.42Å
367Q73.6Confident68.8Low72 Ų7253.9 Ų53.934%0.33628%0.279SS..EExtended strand (participates in β ladder)trans-124.9119.9177.9-58.2-173.816.900110.3N346 Q347 A348 Q388N346-Q367 PolarHBondContact O-N 3.04Å; Q347-Q367 WeakPolarHBondContact CA-O 3.48Å; Q347-Q367 HydrophobicContact CG-CB 4.31Å; A348-Q367 PolarHBondContact N-O 2.9Å; Q367-Q388 WeakPolarHBondContact CA-O 3.03Å; Q367-Q388 HydrophobicContact CG-CB 4.29Å
368A69Low68.3Low19 Ų1951.4 Ų51.416%0.15727%0.27CS..EExtended strand (participates in β ladder)trans-128.7129176.400000111.1A348 Q388 G389 K390A348-A368 VanDerWaalsContact O-CA 3.3Å; A348-A368 WeakPolarHBondContact O-CA 3.34Å; A368-Q388 PolarHBondContact N-O 3.14Å; A368-G389 VanDerWaalsContact O-CA 3.28Å; A368-G389 WeakPolarHBondContact O-CA 3.09Å; A368-K390 PolarHBondContact O-N 3.45Å
369K65.9Low67.9Low102 Ų10256 Ų5644%0.44329%0.285SS..SBendtrans-75.1-34.9171.7-69.2-178.3-178.3-179.10111.8A348 K349 K390 K391A348-K369 PolarHBondContact O-N 3.4Å; K349-K369 HydrophobicContact CG-CD 4.48Å; K349-K369 WeakPolarHBondContact O-CB 3.3Å; K369-K390 HydrophobicContact CG-CD 4.42Å; K369-K390 WeakPolarHBondContact O-CB 2.89Å; K369-K391 PolarHBondContact O-N 3.49Å
370K65.5Low67.6Low119 Ų11956 Ų5652%0.51729%0.285SS..SBendtrans-147.3128.8172.7-69.3-174-179.5-179.10108.4K349 K350 G351 K391K349-K370 PolarHBondContact O-N 2.81Å; K350-K370 VanDerWaalsContact CA-O 3.3Å; K350-K370 WeakPolarHBondContact CA-O 3.3Å; G351-K370 PolarHBondContact N-O 2.79Å; G351-K370 VanDerWaalsContact N-O 3.09Å; K370-K391 WeakPolarHBondContact CA-O 3.24Å
371G60.7Low66.9Low20 Ų2052.6 Ų52.621%0.20628%0.283CS..  trans168.7161.8-178.400000114.1G351 K391 G392G351-G371 WeakPolarHBondContact O-CA 2.99Å; G371-K391 PolarHBondContact N-O 3.35Å; G371-G392 WeakPolarHBondContact O-CA 3.35Å
372E62.1Low66.4Low96 Ų9652.5 Ų52.545%0.44928%0.279SS..SBendtrans-118.3152.4177.4-65.6173.3-16600110.4E352 G353 E393E352-E372 WeakPolarHBondContact CA-O 3Å; E352-E372 HydrophobicContact CG-CB 4.41Å; G353-E372 PolarHBondContact N-O 3.42Å; E372-E393 HydrophobicContact CG-CB 4.22Å
373G63.4Low65.9Low24 Ų2452.8 Ų52.825%0.24728%0.28CS..  trans77.55416300000115.5G353 A354 E393G353-G373 WeakPolarHBondContact CA-O 3.49Å; A354-G373 PolarHBondContact N-O 3.48Å; G373-E393 PolarHBondContact N-O 3.46Å
374V69.7Low65.5Low13 Ų1353.2 Ų53.28%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-89.3123.1171-177.40000109.7A354 N366 N387 N395 Q396A354-V374 WeakPolarHBondContact O-CA 3.33Å; N366-V374 HydrophobicContact CB-CG1 3.34Å; N366-V374 VanDerWaalsContact CG-CG1 3.5Å; N366-V374 WeakPolarHBondContact ND2-CG1 3.31Å; V374-N387 HydrophobicContact CG1-CB 4.11Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.43Å; V374-N395 WeakPolarHBondContact CB-OD1 3.48Å; V374-N395 CarbonylContact O-C 3.57Å; V374-N395 WeakPolarHBondContact O-CA 3.3Å; V374-Q396 PolarHBondContact O-N 3.47Å
375Q73.5Confident65.2Low44 Ų4452.8 Ų52.821%0.20628%0.281CS..EExtended strand (participates in β ladder)trans-128.6126.5-177.4-55.6-175-10.400112.5A354 Q355 N356 Q396A354-Q375 PolarHBondContact O-N 3.26Å; Q355-Q375 CarbonylContact C-O 3.5Å; Q355-Q375 VanDerWaalsContact CA-O 3.27Å; Q355-Q375 WeakPolarHBondContact CA-O 2.9Å; Q355-Q375 HydrophobicContact CG-CB 4.23Å; Q355-Q375 VanDerWaalsContact NE2-OE1 3.15Å; N356-Q375 PolarHBondContact N-O 3.16Å; Q375-Q396 CarbonylContact C-O 3.57Å; Q375-Q396 VanDerWaalsContact CA-O 3.31Å; Q375-Q396 WeakPolarHBondContact CA-O 3.25Å; Q375-Q396 HydrophobicContact CG-CB 4.27Å
376N74.5Confident64.8Low10 Ų1052.8 Ų52.85%0.05328%0.281CS..EExtended strand (participates in β ladder)trans-114.3123.6167-58.5-50.8000109.4N356 N366 A385 N387 Q396 N397 Q398N356-N376 WeakPolarHBondContact CB-OD1 3.27Å; N356-N376 PolarHBondContact ND2-OD1 3.36Å; N356-N376 VanDerWaalsContact ND2-OD1 3.11Å; N356-N376 WeakPolarHBondContact O-CA 3.3Å; N366-N376 PolarHBondContact ND2-OD1 3.01Å; N376-A385 HydrophobicContact CB-CB 4.29Å; N376-N387 PolarHBondContact ND2-ND2 3.39Å; N376-N387 PolarHBondContact ND2-OD1 2.97Å; N376-Q396 PolarHBondContact N-O 3.05Å; N376-N397 WeakPolarHBondContact CB-OD1 3.37Å; N376-N397 PolarHBondContact ND2-OD1 2.84Å; N376-N397 WeakPolarHBondContact O-CA 3.38Å; N376-Q398 PolarHBondContact O-N 3.05Å
377Q71.6Confident64.6Low66 Ų6652.7 Ų52.731%0.30828%0.281SS..EExtended strand (participates in β ladder)trans-120.5131.3178.1-60.7-174.41800111.3N356 Q357 A358 Q398N356-Q377 PolarHBondContact O-N 3.22Å; Q357-Q377 WeakPolarHBondContact CA-O 3.41Å; Q357-Q377 HydrophobicContact CG-CB 4.3Å; A358-Q377 PolarHBondContact N-O 3.01Å; Q377-Q398 WeakPolarHBondContact CA-O 3.28Å; Q377-Q398 HydrophobicContact CG-CB 4.32Å
378A66.1Low64.3Low15 Ų1552.7 Ų52.712%0.12428%0.281CS..EExtended strand (participates in β ladder)trans-143143.1175.700000116A358 V382 Q398 A399 K400A358-A378 WeakPolarHBondContact O-CA 3.33Å; A378-V382 HydrophobicContact CB-CB 4.38Å; A378-V382 HydrophobicContact CB-CG2 3.02Å; A378-Q398 PolarHBondContact N-O 2.99Å; A378-A399 WeakPolarHBondContact O-CA 3.36Å; A378-K400 PolarHBondContact O-N 2.88Å
379K62.9Low63.9Low120 Ų12052.5 Ų52.552%0.52228%0.281SS..SBendtrans-89.9-28.9-177-71.5-178.4179.2175.70114.2A358 K359 K400A358-K379 PolarHBondContact O-N 2.84Å; K359-K379 HydrophobicContact CG-CB 4.29Å; K359-K379 HydrophobicContact CG-CD 4.15Å; K379-K400 WeakPolarHBondContact O-CB 3.36Å
380K59.2Low63.7Low128 Ų12852.6 Ų52.656%0.55728%0.281SS*.SBendtrans-156.2129.7178.3-72.7-171.1178.7-175.60110.5K359 K360K359-K380 PolarHBondContact O-N 2.97Å; K360-K380 HydrophobicContact CG-CB 4.2Å
381G52.4Low63.4Low43 Ų4352.6 Ų52.644%0.44328%0.282SS..  trans6681.1161.700000112.7G361 K401G361-G381 VanDerWaalsContact O-O 3.11Å; G381-K401 PolarHBondContact N-O 3.15Å
382V49.6Very low63Low14 Ų1452.7 Ų52.79%0.08528%0.283CS..  trans-120.5121.4170.8-1770000107.7A378 A385 E403A378-V382 HydrophobicContact CB-CB 4.38Å; A378-V382 HydrophobicContact CB-CG2 3.02Å; V382-A385 HydrophobicContact CG1-CB 4.14Å; V382-E403 PolarHBondContact O-N 3.44Å; V382-E403 VanDerWaalsContact O-N 3.1Å
383E53.3Low62.7Low108 Ų10853 Ų5351%0.50528%0.284SS..  trans-103.1144.5155.3-71.4169.3-160.700107G363G363-E383 PolarHBondContact N-O 3.15Å; G363-E383 VanDerWaalsContact N-O 3.16Å
384G56.2Low62.4Low35 Ų3553.6 Ų53.636%0.36129%0.286SS..  trans78.225.5162.500000118.1Q386G384-Q386 PolarHBondContact O-N 2.82Å; G384-Q386 VanDerWaalsContact O-N 3.15Å
385A67.5Low62.1Low7 Ų753.8 Ų53.86%0.05829%0.287CS..  trans-64.9114.3164.800000109.3A364 N376 V382 G405 Q406A364-A385 CarbonylContact O-C 3.59Å; A364-A385 VanDerWaalsContact O-CA 3.26Å; A364-A385 WeakPolarHBondContact O-CA 3.45Å; N376-A385 HydrophobicContact CB-CB 4.29Å; V382-A385 HydrophobicContact CG1-CB 4.14Å; A385-G405 CarbonylContact O-C 3.59Å; A385-G405 VanDerWaalsContact O-C 3.22Å; A385-G405 WeakPolarHBondContact O-CA 3.37Å; A385-Q406 PolarHBondContact O-N 3.12Å
386Q67.9Low61.8Low50 Ų5054 Ų5423%0.23429%0.288CS..EExtended strand (participates in β ladder)trans-119.3120-176.3-63.6-178.6-43.300111.2A364 Q365 N366 G384 Q406A364-Q386 PolarHBondContact O-N 3.42Å; Q365-Q386 CarbonylContact C-O 3.59Å; Q365-Q386 VanDerWaalsContact CA-O 3.27Å; Q365-Q386 WeakPolarHBondContact CA-O 3.27Å; Q365-Q386 HydrophobicContact CG-CB 4.24Å; N366-Q386 PolarHBondContact N-O 3.17Å; G384-Q386 PolarHBondContact O-N 2.82Å; G384-Q386 VanDerWaalsContact O-N 3.15Å; Q386-Q406 VanDerWaalsContact CA-O 3.27Å; Q386-Q406 WeakPolarHBondContact CA-O 3.47Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å
387N71.6Confident61.5Low1 Ų154.1 Ų54.11%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-113.5125.9170.4-49.8-56.2000110.2N366 V374 N376 N395 N397 Q406 N407 Q408N366-N387 WeakPolarHBondContact CB-OD1 3.33Å; N366-N387 PolarHBondContact ND2-OD1 3.4Å; N366-N387 CarbonylContact O-C 3.56Å; N366-N387 VanDerWaalsContact O-CA 3.3Å; N366-N387 WeakPolarHBondContact O-CA 3.37Å; V374-N387 HydrophobicContact CG1-CB 4.11Å; V374-N387 WeakPolarHBondContact CG1-OD1 3.43Å; N376-N387 PolarHBondContact ND2-ND2 3.39Å; N376-N387 PolarHBondContact ND2-OD1 2.97Å; N387-N395 HydrophobicContact CB-CB 4.42Å; N387-N397 PolarHBondContact ND2-OD1 2.88Å; N387-Q406 PolarHBondContact N-O 3.05Å; N387-N407 VanDerWaalsContact CB-OD1 3.22Å; N387-N407 WeakPolarHBondContact CB-OD1 3.35Å; N387-N407 PolarHBondContact ND2-OD1 3.26Å; N387-N407 CarbonylContact O-C 3.57Å; N387-N407 WeakPolarHBondContact O-CA 3.4Å; N387-Q408 PolarHBondContact O-N 3.06Å
388Q67.1Low61.1Low72 Ų7254 Ų5434%0.33629%0.288SS..EExtended strand (participates in β ladder)trans-119.4124.2178.3-61.4-174.412.600111.4N366 Q367 A368 Q408N366-Q388 PolarHBondContact O-N 3.42Å; Q367-Q388 WeakPolarHBondContact CA-O 3.03Å; Q367-Q388 HydrophobicContact CG-CB 4.29Å; A368-Q388 PolarHBondContact N-O 3.14Å; Q388-Q408 WeakPolarHBondContact CA-O 3.39Å; Q388-Q408 HydrophobicContact CG-CB 4.36Å
389G62Low60.8Low16 Ų1654.4 Ų54.417%0.16529%0.292CS..EExtended strand (participates in β ladder)trans-128.1140.5-177.900000113A368 Q408 T409 K410A368-G389 VanDerWaalsContact O-CA 3.28Å; A368-G389 WeakPolarHBondContact O-CA 3.09Å; G389-Q408 PolarHBondContact N-O 3.17Å; G389-T409 WeakPolarHBondContact O-CA 3.31Å; G389-K410 PolarHBondContact O-N 3Å
390K60.2Low60.5Low103 Ų10354.4 Ų54.445%0.44829%0.291SS..SBendtrans-89.5-34.6163.8-63.3-172.3-179.8-1730112.6A368 K369 K410A368-K390 PolarHBondContact O-N 3.45Å; K369-K390 HydrophobicContact CG-CD 4.42Å; K369-K390 WeakPolarHBondContact O-CB 2.89Å; K390-K410 HydrophobicContact CG-CD 4.27Å; K390-K410 WeakPolarHBondContact O-CB 3.39Å
391K59.2Low60.3Low120 Ų12054.8 Ų54.852%0.52229%0.293SS..SBendtrans-152.7125.9175.1-68.8-171.9178.2-172.90107.9K369 K370 G371K369-K391 PolarHBondContact O-N 3.49Å; K370-K391 WeakPolarHBondContact CA-O 3.24Å; G371-K391 PolarHBondContact N-O 3.35Å
392G54.1Low60.2Low22 Ų2253.9 Ų53.923%0.22728%0.284CS..  trans174.515617900000112.7G371G371-G392 WeakPolarHBondContact O-CA 3.35Å
393E55.7Low60.3Low101 Ų10157.3 Ų57.347%0.47230%0.299SS..SBendtrans-101.6148.5176.7-63175.5-175.500110.1E372 G373E372-E393 HydrophobicContact CG-CB 4.22Å; G373-E393 PolarHBondContact N-O 3.46Å
394A56.4Low60.3Low37 Ų3753.2 Ų53.231%0.30629%0.286SS..  trans52.183.2165.400000117
395N64Low60.3Low17 Ų1751.7 Ų51.79%0.09127%0.27CS..EExtended strand (participates in β ladder)trans-88122159.1-71.3-16.3000108.7V374 N387 P415 Q416V374-N395 WeakPolarHBondContact CB-OD1 3.48Å; V374-N395 CarbonylContact O-C 3.57Å; V374-N395 WeakPolarHBondContact O-CA 3.3Å; N387-N395 HydrophobicContact CB-CB 4.42Å; N395-P415 HydrophobicContact CB-CB 3.93Å; N395-P415 CarbonylContact O-C 3.56Å; N395-P415 WeakPolarHBondContact O-CA 3.49Å; N395-P415 WeakPolarHBondContact O-CB 3.41Å; N395-Q416 PolarHBondContact O-N 3.49Å
396Q66.3Low59.9Low49 Ų4955 Ų5523%0.22928%0.284CS..EExtended strand (participates in β ladder)trans-113126.5177.5-60-1732200111.4V374 Q375 N376 Q416V374-Q396 PolarHBondContact O-N 3.47Å; Q375-Q396 CarbonylContact C-O 3.57Å; Q375-Q396 VanDerWaalsContact CA-O 3.31Å; Q375-Q396 WeakPolarHBondContact CA-O 3.25Å; Q375-Q396 HydrophobicContact CG-CB 4.27Å; N376-Q396 PolarHBondContact N-O 3.05Å; Q396-Q416 WeakPolarHBondContact CA-O 3.27Å; Q396-Q416 HydrophobicContact CG-CB 4.37Å
397N67.9Low59.7Low12 Ų1252.6 Ų52.66%0.06427%0.273CS..EExtended strand (participates in β ladder)trans-116.8118.6169.5-62.6-39.8000109N376 N387 N407 Q416 N417 Q418N376-N397 WeakPolarHBondContact CB-OD1 3.37Å; N376-N397 PolarHBondContact ND2-OD1 2.84Å; N376-N397 WeakPolarHBondContact O-CA 3.38Å; N387-N397 PolarHBondContact ND2-OD1 2.88Å; N397-N407 PolarHBondContact ND2-ND2 3.07Å; N397-N407 VanDerWaalsContact ND2-ND2 3.12Å; N397-N407 PolarHBondContact ND2-OD1 3.12Å; N397-Q416 PolarHBondContact N-O 2.89Å; N397-Q416 VanDerWaalsContact N-O 3.12Å; N397-N417 WeakPolarHBondContact CB-OD1 3.47Å; N397-N417 VanDerWaalsContact O-CA 3.31Å; N397-N417 WeakPolarHBondContact O-CA 3.3Å; N397-Q418 PolarHBondContact O-N 3.36Å
398Q63.6Low59Low65 Ų6556.1 Ų56.130%0.30429%0.289SS..EExtended strand (participates in β ladder)trans-113119.1176.8-61-172.416.400110.5N376 Q377 A378 Q418N376-Q398 PolarHBondContact O-N 3.05Å; Q377-Q398 WeakPolarHBondContact CA-O 3.28Å; Q377-Q398 HydrophobicContact CG-CB 4.32Å; A378-Q398 PolarHBondContact N-O 2.99Å; Q398-Q418 WeakPolarHBondContact CA-O 3.37Å; Q398-Q418 HydrophobicContact CG-CB 4.31Å
399A60.4Low58.5Low23 Ų2353.3 Ų53.319%0.1928%0.277CS..EExtended strand (participates in β ladder)trans-133.7125.1179.100000111.6A378 K401 Q418 G419A378-A399 WeakPolarHBondContact O-CA 3.36Å; A399-K401 VanDerWaalsContact C-N 3.3Å; A399-K401 PolarHBondContact O-N 2.86Å; A399-Q418 PolarHBondContact N-O 3.44Å; A399-G419 WeakPolarHBondContact O-CA 3.14Å
400K56.9Low58.2Low119 Ų11958.2 Ų58.252%0.51729%0.294SS..SBendtrans-69.7-27.7174.1-73.2-176.9-179.9-174.70112.8A378 K379 K420A378-K400 PolarHBondContact O-N 2.88Å; K379-K400 WeakPolarHBondContact O-CB 3.36Å; K400-K420 WeakPolarHBondContact O-CB 3.35Å
401K53.9Low57.9Low136 Ų13659.5 Ų59.559%0.59130%0.3SS*.SBendtrans-159.2127.8173.9-71.2-171.9177.4-173.60108.4G381 A399G381-K401 PolarHBondContact N-O 3.15Å; A399-K401 VanDerWaalsContact C-N 3.3Å; A399-K401 PolarHBondContact O-N 2.86Å
402G50.2Low57.7Low24 Ų2455 Ų5525%0.24729%0.287CS..SBendtrans156.1171.1174.100000112.3K421 G422G402-K421 PolarHBondContact N-O 2.85Å; G402-G422 WeakPolarHBondContact O-CA 3.38Å
403E52.9Low57.8Low87 Ų8759.4 Ų59.441%0.40730%0.302SS..PPolyproline II helixtrans-70.5142.4171.9-66.6-174.5179.200110.4V382 E423V382-E403 PolarHBondContact O-N 3.44Å; V382-E403 VanDerWaalsContact O-N 3.1Å; E403-E423 HydrophobicContact CB-CB 4.32Å; E403-E423 HydrophobicContact CG-CB 4.12Å; E403-E423 HydrophobicContact CG-CG 4.28Å; E403-E423 WeakPolarHBondContact CG-OE2 3.25Å
404G52.5Low57.7Low22 Ų2255.1 Ų55.123%0.22729%0.285CS..PPolyproline II helixtrans-66.2135.9179.700000111.7E423G404-E423 VanDerWaalsContact CA-O 3.25Å; G404-E423 WeakPolarHBondContact CA-O 2.92Å; G404-E423 PolarHBondContact N-O 2.83Å
405G56.9Low57.9Low3 Ų353.6 Ų53.63%0.03127%0.272CS..PPolyproline II helixtrans-63.3145.5179.100000113.7A385 A425A385-G405 CarbonylContact O-C 3.59Å; A385-G405 VanDerWaalsContact O-C 3.22Å; A385-G405 WeakPolarHBondContact O-CA 3.37Å; G405-A425 WeakPolarHBondContact O-CB 3.49Å
406Q59.1Low57.6Low75 Ų7555.3 Ų55.335%0.3528%0.279SS..EExtended strand (participates in β ladder)trans-78.5130.4174-61.3174.7-4.900109.9A385 Q386 N387A385-Q406 PolarHBondContact O-N 3.12Å; Q386-Q406 VanDerWaalsContact CA-O 3.27Å; Q386-Q406 WeakPolarHBondContact CA-O 3.47Å; Q386-Q406 HydrophobicContact CG-CB 4.26Å; N387-Q406 PolarHBondContact N-O 3.05Å
407N62.2Low57.4Low1 Ų153.7 Ų53.71%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-127.4118179.4-71.4-36.2000108.3N387 N397 P415N387-N407 VanDerWaalsContact CB-OD1 3.22Å; N387-N407 WeakPolarHBondContact CB-OD1 3.35Å; N387-N407 PolarHBondContact ND2-OD1 3.26Å; N387-N407 CarbonylContact O-C 3.57Å; N387-N407 WeakPolarHBondContact O-CA 3.4Å; N397-N407 PolarHBondContact ND2-ND2 3.07Å; N397-N407 VanDerWaalsContact ND2-ND2 3.12Å; N397-N407 PolarHBondContact ND2-OD1 3.12Å; N407-P415 HydrophobicContact CB-CB 4.36Å; N407-P415 HydrophobicContact CB-CG 3.86Å; N407-P415 WeakPolarHBondContact ND2-CB 3.32Å; N407-P415 VanDerWaalsContact ND2-CG 3.27Å; N407-P415 WeakPolarHBondContact ND2-CG 3.45Å
408Q58.8Low56.9Low74 Ų7456.5 Ų56.535%0.34629%0.285SS..EExtended strand (participates in β ladder)trans-111.1122.3177.2-64.5-178.711.200109.8N387 Q388 G389N387-Q408 PolarHBondContact O-N 3.06Å; Q388-Q408 WeakPolarHBondContact CA-O 3.39Å; Q388-Q408 HydrophobicContact CG-CB 4.36Å; G389-Q408 PolarHBondContact N-O 3.17Å
409T55.4Low56.5Low13 Ų1354.5 Ų54.58%0.0828%0.282CS..EExtended strand (participates in β ladder)trans-138.2114.8-178.9-62.70000112.3G389 K411 D429G389-T409 WeakPolarHBondContact O-CA 3.31Å; T409-K411 WeakPolarHBondContact CG2-O 3.38Å; T409-K411 PolarHBondContact O-N 2.93Å; T409-K411 VanDerWaalsContact O-N 3.13Å; T409-D429 VanDerWaalsContact C-CG 3.5Å; T409-D429 WeakPolarHBondContact CA-OD1 3.41Å; T409-D429 PolarHBondContact N-OD1 3.23Å; T409-D429 PolarHBondContact N-OD2 2.75Å; T409-D429 WeakPolarHBondContact O-CB 3.44Å
410K56.4Low56.1Low120 Ų12059 Ų5952%0.52230%0.296SS..SBendtrans-61.9-28.3-179.5-66.3-171.6-179.5-169.50114.5G389 K390G389-K410 PolarHBondContact O-N 3Å; K390-K410 HydrophobicContact CG-CD 4.27Å; K390-K410 WeakPolarHBondContact O-CB 3.39Å
411K54.5Low55.9Low130 Ų13059.2 Ų59.257%0.56530%0.298SS*.SBendtrans-164124.2176.3-170.2-176.9-178.4-170.30110.2T409T409-K411 WeakPolarHBondContact CG2-O 3.38Å; T409-K411 PolarHBondContact O-N 2.93Å; T409-K411 VanDerWaalsContact O-N 3.13Å
412G53.5Low55.4Low24 Ų2454 Ų5425%0.24728%0.282CS..EExtended strand (participates in β ladder)trans161178.2176.400000112.6
413E55.6Low55.4Low116 Ų11657.7 Ų57.754%0.54229%0.293SS..EExtended strand (participates in β ladder)trans-65.8147.9170.1-65.2-171.3156.300111.2
414G55.4Low55.1Low11 Ų1155.9 Ų55.911%0.11329%0.293CS..PPolyproline II helixtrans-64.8151.2175.800000112E433 G434G414-E433 PolarHBondContact N-O 2.99Å; G414-G434 VanDerWaalsContact CA-O 3.3Å; G414-G434 WeakPolarHBondContact CA-O 3.42Å; G414-G434 PolarHBondContact N-O 3.16Å
415P59.7Low55.2Low5 Ų554.9 Ų54.93%0.03228%0.282CS..PPolyproline II helixtrans-66.7156.3172.827.7-34.1000112.4N395 N407 Q436N395-P415 HydrophobicContact CB-CB 3.93Å; N395-P415 CarbonylContact O-C 3.56Å; N395-P415 WeakPolarHBondContact O-CA 3.49Å; N395-P415 WeakPolarHBondContact O-CB 3.41Å; N407-P415 HydrophobicContact CB-CB 4.36Å; N407-P415 HydrophobicContact CB-CG 3.86Å; N407-P415 WeakPolarHBondContact ND2-CB 3.32Å; N407-P415 VanDerWaalsContact ND2-CG 3.27Å; N407-P415 WeakPolarHBondContact ND2-CG 3.45Å; P415-Q436 PolarHBondContact O-N 3.1Å
416Q58.6Low55Low52 Ų5261 Ų6124%0.24331%0.31CS..EExtended strand (participates in β ladder)trans-102.3121.5168.2-166.8-1797.500109.4N395 Q396 N397 Q418 Q436N395-Q416 PolarHBondContact O-N 3.49Å; Q396-Q416 WeakPolarHBondContact CA-O 3.27Å; Q396-Q416 HydrophobicContact CG-CB 4.37Å; N397-Q416 PolarHBondContact N-O 2.89Å; N397-Q416 VanDerWaalsContact N-O 3.12Å; Q416-Q418 HydrophobicContact CG-CG 4.46Å; Q416-Q436 WeakPolarHBondContact CA-O 3.04Å; Q416-Q436 HydrophobicContact CG-CB 4.22Å
417N61.9Low54.8Low16 Ų1657.8 Ų57.89%0.08630%0.295CS..EExtended strand (participates in β ladder)trans-108.8132.8171.6-52.4-56.1000109.9N397 Q436 N437 Q438N397-N417 WeakPolarHBondContact CB-OD1 3.47Å; N397-N417 VanDerWaalsContact O-CA 3.31Å; N397-N417 WeakPolarHBondContact O-CA 3.3Å; N417-Q436 PolarHBondContact N-O 2.95Å; N417-N437 WeakPolarHBondContact CB-OD1 3.45Å; N417-N437 PolarHBondContact ND2-OD1 3.03Å; N417-N437 WeakPolarHBondContact O-CA 3.28Å; N417-Q438 PolarHBondContact O-N 3.33Å; N417-Q438 VanDerWaalsContact O-N 3.09Å
418Q57.1Low54.4Low71 Ų7163.7 Ų63.733%0.33232%0.323SS..EExtended strand (participates in β ladder)trans-124.2128.8175.5-62.1-175.84.400110.5N397 Q398 A399 Q416N397-Q418 PolarHBondContact O-N 3.36Å; Q398-Q418 WeakPolarHBondContact CA-O 3.37Å; Q398-Q418 HydrophobicContact CG-CB 4.31Å; A399-Q418 PolarHBondContact N-O 3.44Å; Q416-Q418 HydrophobicContact CG-CG 4.46Å
419G55.4Low54.2Low23 Ų2361.1 Ų61.124%0.23731%0.311CS..EExtended strand (participates in β ladder)trans-172.3160.9178.400000117.2A399 Q438 G439A399-G419 WeakPolarHBondContact O-CA 3.14Å; G419-Q438 PolarHBondContact N-O 3.09Å; G419-G439 WeakPolarHBondContact O-CA 3.32Å
420K52.4Low54.3Low116 Ų11667.3 Ų67.350%0.50434%0.337SS..SBendtrans-78.9-28.3179.5-62.7-177.3175.3-179.20112.8K400 K440K400-K420 WeakPolarHBondContact O-CB 3.35Å; K420-K440 WeakPolarHBondContact O-CB 3.34Å
421K50.8Low54.1Low125 Ų12565.4 Ų65.454%0.54333%0.329SS..SBendtrans-150.4117.8174.3-72.8-172.9176.4-168.60105.3G402G402-K421 PolarHBondContact N-O 2.85Å
422G45.2Very low54.1Low26 Ų2659.9 Ų59.927%0.26831%0.305SS..BIsolated β-bridgetrans-144.8127.5179.200000110.1G402G402-G422 WeakPolarHBondContact O-CA 3.38Å
423E48.8Very low54.2Low102 Ų10262.9 Ų62.948%0.47731%0.313SS..PPolyproline II helixtrans-82161.3173.9-66.1-173.7-176.100111.8E403 G404 A425 E443E403-E423 HydrophobicContact CB-CB 4.32Å; E403-E423 HydrophobicContact CG-CB 4.12Å; E403-E423 HydrophobicContact CG-CG 4.28Å; E403-E423 WeakPolarHBondContact CG-OE2 3.25Å; G404-E423 VanDerWaalsContact CA-O 3.25Å; G404-E423 WeakPolarHBondContact CA-O 2.92Å; G404-E423 PolarHBondContact N-O 2.83Å; E423-A425 PolarHBondContact O-N 2.93Å; E423-E443 WeakPolarHBondContact CA-OE2 3.12Å
424A47.5Very low54.2Low48 Ų4859 Ų5940%0.39730%0.304SS..PPolyproline II helixtrans-49.8120.3-175.200000114.1G444A424-G444 VanDerWaalsContact CB-O 3.28Å; A424-G444 WeakPolarHBondContact CB-O 2.93Å
425A54Low54.4Low1 Ų158.6 Ų58.61%0.00830%0.299CS..PPolyproline II helixtrans-67.113415800000108.7G405 E423 T445 S446G405-A425 WeakPolarHBondContact O-CB 3.49Å; E423-A425 PolarHBondContact O-N 2.93Å; A425-T445 HydrophobicContact CB-CG2 4.09Å; A425-T445 VanDerWaalsContact O-CA 3.24Å; A425-T445 WeakPolarHBondContact O-CA 3.16Å; A425-T445 WeakPolarHBondContact O-CB 2.92Å; A425-T445 WeakPolarHBondContact O-CG2 3.36Å; A425-S446 PolarHBondContact O-N 3.34Å
426Q52.3Low54.4Low133 Ų13361.9 Ų61.962%0.62131%0.314SS*.EExtended strand (participates in β ladder)trans-87.7141.8165.3-73.9-176.510.300110.2
427K55.5Low54.6Low7 Ų759.9 Ų59.93%0.0331%0.305CS..EExtended strand (participates in β ladder)trans-128.5139.6171.5-61.6-170.6-165.6-49.90111.3I432 T445 S446 N447 Q448K427-I432 HydrophobicContact CB-CD1 3.82Å; K427-I432 HydrophobicContact CD-CD1 3.44Å; K427-I432 VanDerWaalsContact CD-CD1 3.44Å; K427-I432 HydrophobicContact CG-CD1 4.24Å; K427-T445 HydrophobicContact CB-CG2 4.31Å; K427-T445 HydrophobicContact CD-CG2 3.73Å; K427-T445 VanDerWaalsContact CE-CG2 3.42Å; K427-T445 HydrophobicContact CG-CG2 3.48Å; K427-T445 VanDerWaalsContact CG-CG2 3.48Å; K427-S446 PolarHBondContact N-O 3.18Å; K427-N447 WeakPolarHBondContact CB-OD1 3.47Å; K427-N447 WeakPolarHBondContact CD-OD1 3.46Å; K427-Q448 PolarHBondContact O-N 2.67Å
428Q54.3Low54.5Low124 Ų12462.5 Ų62.558%0.57932%0.317SS*.EExtended strand (participates in β ladder)trans-134.197.3176.7-169-18057.100109.5Q448Q428-Q448 WeakPolarHBondContact CA-O 3.31Å
429D54Low54.6Low20 Ų2060.3 Ų60.311%0.10731%0.313CS..EExtended strand (participates in β ladder)trans-143.7167.7-167.3-67.1-48.6000114.6T409 I432 Q448 G449T409-D429 VanDerWaalsContact C-CG 3.5Å; T409-D429 WeakPolarHBondContact CA-OD1 3.41Å; T409-D429 PolarHBondContact N-OD1 3.23Å; T409-D429 PolarHBondContact N-OD2 2.75Å; T409-D429 WeakPolarHBondContact O-CB 3.44Å; D429-I432 HydrophobicContact CB-CD1 3.66Å; D429-I432 HydrophobicContact CB-CG1 3.57Å; D429-I432 WeakPolarHBondContact OD2-CD1 3.48Å; D429-Q448 PolarHBondContact N-O 3.38Å; D429-G449 WeakPolarHBondContact O-CA 3.36Å
430K56.7Low54.7Low143 Ų14364.7 Ų64.762%0.62233%0.326SS*.SBendtrans-84.1-35.5177.1-75.1-175.9-179.8-178.30112.9K451K430-K451 PolarHBondContact O-N 3.3Å
431K52.8Low55.1Low81 Ų8163.4 Ų63.435%0.35232%0.32SS..  trans-159.3126.8178.7-170.2-169.4-179.4-142.90109.1E433 K451K431-E433 WeakPolarHBondContact CE-OE1 3.44Å; K431-E433 IonicContact NZ-OE1 2.58Å; K431-E433 PolarHBondContact NZ-OE1 3.33Å; K431-K451 HydrophobicContact CG-CB 4.34Å; K431-K451 HydrophobicContact CG-CD 4.38Å
432I54.8Low55.4Low14 Ų1457.9 Ų57.97%0.07230%0.297CS..EExtended strand (participates in β ladder)trans-133.4142.3173.6-45.3-178.8000108.5K427 D429K427-I432 HydrophobicContact CB-CD1 3.82Å; K427-I432 HydrophobicContact CD-CD1 3.44Å; K427-I432 VanDerWaalsContact CD-CD1 3.44Å; K427-I432 HydrophobicContact CG-CD1 4.24Å; D429-I432 HydrophobicContact CB-CD1 3.66Å; D429-I432 HydrophobicContact CB-CG1 3.57Å; D429-I432 WeakPolarHBondContact OD2-CD1 3.48Å
433E54.9Low56.2Low86 Ų8659.6 Ų59.640%0.40230%0.298SS..EExtended strand (participates in β ladder)trans-114.4133.5168.9-76.1162.3-169.400108.5G414 K431 E453G414-E433 PolarHBondContact N-O 2.99Å; K431-E433 WeakPolarHBondContact CE-OE1 3.44Å; K431-E433 IonicContact NZ-OE1 2.58Å; K431-E433 PolarHBondContact NZ-OE1 3.33Å; E433-E453 VanDerWaalsContact CA-OE2 3.27Å; E433-E453 WeakPolarHBondContact CA-OE2 3.39Å
434G55.8Low56.7Low34 Ų3455.1 Ų55.135%0.35128%0.28SS..  trans34.8108.8171.400000119.6G414 E453G414-G434 VanDerWaalsContact CA-O 3.3Å; G414-G434 WeakPolarHBondContact CA-O 3.42Å; G414-G434 PolarHBondContact N-O 3.16Å; G434-E453 PolarHBondContact N-OE2 2.91Å
435A60.5Low57.3Low3 Ų352.9 Ų52.93%0.02526%0.261CS..  trans-96.8145.1159.500000110.2A455 Q456A435-A455 HydrophobicContact CB-CB 3.84Å; A435-A455 CarbonylContact O-C 3.6Å; A435-A455 WeakPolarHBondContact O-CA 2.91Å; A435-A455 WeakPolarHBondContact O-CB 3.37Å; A435-Q456 PolarHBondContact O-N 3.26Å
436Q59.1Low57.5Low74 Ų7454.1 Ų54.135%0.34627%0.269SS..EExtended strand (participates in β ladder)trans-117.9124176.2-71.3-170.5-22.800110.8P415 Q416 N417 Q456P415-Q436 PolarHBondContact O-N 3.1Å; Q416-Q436 WeakPolarHBondContact CA-O 3.04Å; Q416-Q436 HydrophobicContact CG-CB 4.22Å; N417-Q436 PolarHBondContact N-O 2.95Å; Q436-Q456 WeakPolarHBondContact CA-O 3.37Å; Q436-Q456 HydrophobicContact CG-CB 4.38Å; Q436-Q456 VanDerWaalsContact NE2-OE1 3.1Å
437N62.6Low57.8Low10 Ų1048 Ų485%0.05324%0.241CC..EExtended strand (participates in β ladder)trans-116.5122.2172.6-52-62.7000110.5N417 P442 Q456 N457 Q458N417-N437 WeakPolarHBondContact CB-OD1 3.45Å; N417-N437 PolarHBondContact ND2-OD1 3.03Å; N417-N437 WeakPolarHBondContact O-CA 3.28Å; N437-P442 HydrophobicContact CB-CB 3.94Å; N437-Q456 PolarHBondContact N-O 3.5Å; N437-N457 WeakPolarHBondContact CB-OD1 2.93Å; N437-N457 PolarHBondContact ND2-OD1 2.94Å; N437-N457 WeakPolarHBondContact O-CA 3.26Å; N437-Q458 PolarHBondContact O-N 2.94Å
438Q59.9Low58Low72 Ų7252 Ų5234%0.33626%0.26SS..EExtended strand (participates in β ladder)trans-118.3133.5178.5-62.4-176.414.200111.1N417 G419 Q458N417-Q438 PolarHBondContact O-N 3.33Å; N417-Q438 VanDerWaalsContact O-N 3.09Å; G419-Q438 PolarHBondContact N-O 3.09Å; Q438-Q458 HydrophobicContact CG-CB 4.47Å
439G60.4Low58.1Low24 Ų2447.3 Ų47.325%0.24725%0.245CC..EExtended strand (participates in β ladder)trans177.1179.7-176.400000117.3G419 P442 Q458 G459G419-G439 WeakPolarHBondContact O-CA 3.32Å; G439-P442 WeakPolarHBondContact O-CD 3.42Å; G439-Q458 PolarHBondContact N-O 2.84Å; G439-G459 WeakPolarHBondContact O-CA 3.44Å
440K56.8Low58.4Low115 Ų11552.3 Ų52.350%0.527%0.266SS..SBendtrans-72.6-35.8169.3-65.9-175177.3-173.80111.2K420 K460 K461K420-K440 WeakPolarHBondContact O-CB 3.34Å; K440-K460 WeakPolarHBondContact O-CB 3.22Å; K440-K460 PolarHBondContact O-N 3.19Å; K440-K460 VanDerWaalsContact O-N 3.14Å; K440-K461 PolarHBondContact O-N 3.22Å; K440-K461 VanDerWaalsContact O-N 3.16Å
441K59.7Low58.5Low90 Ų9050.2 Ų50.239%0.39126%0.256SS..SBendtrans-137.678.4174.9-64.4-169.3-177-173.30110K461K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.36Å; K441-K461 HydrophobicContact CG-CB 4.34Å
442P58.7Low58.8Low9 Ų947 Ų476%0.05825%0.246CC..BIsolated β-bridgetrans-73.1132.4167.428.4-37000111.1N437 G439 N457 K461 G462 E463N437-P442 HydrophobicContact CB-CB 3.94Å; G439-P442 WeakPolarHBondContact O-CD 3.42Å; P442-N457 HydrophobicContact CB-CB 4.05Å; P442-N457 HydrophobicContact CG-CB 3.99Å; P442-K461 WeakPolarHBondContact CD-O 2.95Å; P442-G462 WeakPolarHBondContact O-CA 3.34Å; P442-E463 PolarHBondContact O-N 2.83Å
443E61Low59.1Low62 Ų6249.1 Ų49.129%0.2926%0.256SS..BIsolated β-bridgetrans-104.5144.7165.3-72.7167.7-153.700109.7E423 E463E423-E443 WeakPolarHBondContact CA-OE2 3.12Å; E443-E463 HydrophobicContact CG-CB 4.4Å
444G59Low59.5Low8 Ų845.4 Ų45.48%0.08224%0.241CC..PPolyproline II helixtrans-67.5151.517900000112.4A424 E463A424-G444 VanDerWaalsContact CB-O 3.28Å; A424-G444 WeakPolarHBondContact CB-O 2.93Å; G444-E463 WeakPolarHBondContact CA-O 3.03Å; G444-E463 PolarHBondContact N-O 2.9Å
445T60.7Low59.9Low1 Ų143.9 Ų43.91%0.00622%0.224CC..PPolyproline II helixtrans-86.9128.7175.9-63.90000110.3A425 K427 A465A425-T445 HydrophobicContact CB-CG2 4.09Å; A425-T445 VanDerWaalsContact O-CA 3.24Å; A425-T445 WeakPolarHBondContact O-CA 3.16Å; A425-T445 WeakPolarHBondContact O-CB 2.92Å; A425-T445 WeakPolarHBondContact O-CG2 3.36Å; K427-T445 HydrophobicContact CB-CG2 4.31Å; K427-T445 HydrophobicContact CD-CG2 3.73Å; K427-T445 VanDerWaalsContact CE-CG2 3.42Å; K427-T445 HydrophobicContact CG-CG2 3.48Å; K427-T445 VanDerWaalsContact CG-CG2 3.48Å; T445-A465 WeakPolarHBondContact O-CB 3.38Å
446S58.4Low60.1Low26 Ų2647 Ų4718%0.18224%0.239CC..EExtended strand (participates in β ladder)trans-77124.5173.3-169.70000110.9A425 K427 Q466A425-S446 PolarHBondContact O-N 3.34Å; K427-S446 PolarHBondContact N-O 3.18Å; S446-Q466 CarbonylContact C-O 3.6Å; S446-Q466 VanDerWaalsContact CA-O 3.3Å; S446-Q466 WeakPolarHBondContact CA-O 3.27Å; S446-Q466 PolarHBondContact OG-O 2.91Å
447N58.5Low60.3Low6 Ų643.5 Ų43.53%0.03222%0.222CC..EExtended strand (participates in β ladder)trans-109.6122.8178.9-62.4-39.1000110.8K427 E453 Q466 N467 Q468K427-N447 WeakPolarHBondContact CB-OD1 3.47Å; K427-N447 WeakPolarHBondContact CD-OD1 3.46Å; N447-E453 PolarHBondContact ND2-O 2.87Å; N447-Q466 PolarHBondContact N-O 3.39Å; N447-N467 WeakPolarHBondContact CB-OD1 3.27Å; N447-N467 PolarHBondContact ND2-OD1 2.92Å; N447-Q468 PolarHBondContact O-N 2.83Å
448Q58.4Low60.4Low89 Ų8946.9 Ų46.942%0.41624%0.238SC..EExtended strand (participates in β ladder)trans-109.7120.7168.9-65.9-177.41.700110K427 Q428 D429K427-Q448 PolarHBondContact O-N 2.67Å; Q428-Q448 WeakPolarHBondContact CA-O 3.31Å; D429-Q448 PolarHBondContact N-O 3.38Å
449G57.6Low60.5Low26 Ų2644.4 Ų44.427%0.26823%0.232SC..EExtended strand (participates in β ladder)trans-179.9179.8-175.900000117.7D429 Q468 G469D429-G449 WeakPolarHBondContact O-CA 3.36Å; G449-Q468 PolarHBondContact N-O 2.89Å; G449-G469 WeakPolarHBondContact O-CA 3.43Å
450K59.3Low60.7Low126 Ų12649 Ų4955%0.54825%0.245SC..EExtended strand (participates in β ladder)trans-72.9-36.2174.2-73.3-175.2-179.1-177.80111.8K470 K471K450-K470 WeakPolarHBondContact O-CB 3.38Å; K450-K470 PolarHBondContact O-N 2.82Å; K450-K471 PolarHBondContact O-N 3.2Å
451K59Low61.1Low98 Ų9848.2 Ų48.243%0.42624%0.241SC..EExtended strand (participates in β ladder)trans-142.3130.6174.8-65.1-174.2179.4-176.40108.4K430 K431 K471K430-K451 PolarHBondContact O-N 3.3Å; K431-K451 HydrophobicContact CG-CB 4.34Å; K431-K451 HydrophobicContact CG-CD 4.38Å; K451-K471 WeakPolarHBondContact CA-O 3.36Å; K451-K471 HydrophobicContact CG-CB 4.31Å; K451-K471 HydrophobicContact CG-CD 4.45Å
452G58.8Low61.1Low13 Ų1344.2 Ų44.213%0.13423%0.226CC..EExtended strand (participates in β ladder)trans-145.6137.1172.600000111.5K471 G472 E473G452-K471 PolarHBondContact N-O 3.34Å; G452-G472 VanDerWaalsContact O-CA 3.29Å; G452-G472 WeakPolarHBondContact O-CA 3.34Å; G452-E473 PolarHBondContact O-N 3.07Å; G452-E473 VanDerWaalsContact O-N 3.08Å
453E62.9Low61.5Low60 Ų6048 Ų4828%0.2824%0.242SC..EExtended strand (participates in β ladder)trans-98.5138.8167.2-72.3170.4-16600109.3E433 G434 N447 E473E433-E453 VanDerWaalsContact CA-OE2 3.27Å; E433-E453 WeakPolarHBondContact CA-OE2 3.39Å; G434-E453 PolarHBondContact N-OE2 2.91Å; N447-E453 PolarHBondContact ND2-O 2.87Å; E453-E473 HydrophobicContact CG-CB 4.26Å
454G62.1Low61.6Low8 Ų845.7 Ų45.78%0.08224%0.236CC..PPolyproline II helixtrans-64.3155.5175.700000112.2E473G454-E473 WeakPolarHBondContact CA-O 2.96Å; G454-E473 PolarHBondContact N-O 3.09Å
455A65.2Low62Low1 Ų145.3 Ų45.31%0.00823%0.232CC..PPolyproline II helixtrans-73.9143.5176.600000111.8A435 A475A435-A455 HydrophobicContact CB-CB 3.84Å; A435-A455 CarbonylContact O-C 3.6Å; A435-A455 WeakPolarHBondContact O-CA 2.91Å; A435-A455 WeakPolarHBondContact O-CB 3.37Å; A455-A475 WeakPolarHBondContact O-CA 3.3Å; A455-A475 WeakPolarHBondContact O-CB 3.3Å
456Q63.3Low62.1Low69 Ų6949.4 Ų49.432%0.32225%0.251SS..EExtended strand (participates in β ladder)trans-80.9121.8164.8-66.1-176.4-44.900109.5A435 Q436 N437 Q476A435-Q456 PolarHBondContact O-N 3.26Å; Q436-Q456 WeakPolarHBondContact CA-O 3.37Å; Q436-Q456 HydrophobicContact CG-CB 4.38Å; Q436-Q456 VanDerWaalsContact NE2-OE1 3.1Å; N437-Q456 PolarHBondContact N-O 3.5Å; Q456-Q476 WeakPolarHBondContact CA-O 3.24Å; Q456-Q476 HydrophobicContact CG-CB 4.33Å
457N64.8Low62.4Low1 Ų148.3 Ų48.31%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-112.4125.4178.8-58.1-48.7000110.7N437 P442 E463 Q476 N477 Q478N437-N457 WeakPolarHBondContact CB-OD1 2.93Å; N437-N457 PolarHBondContact ND2-OD1 2.94Å; N437-N457 WeakPolarHBondContact O-CA 3.26Å; P442-N457 HydrophobicContact CB-CB 4.05Å; P442-N457 HydrophobicContact CG-CB 3.99Å; N457-E463 PolarHBondContact ND2-O 2.88Å; N457-Q476 PolarHBondContact N-O 3.41Å; N457-N477 VanDerWaalsContact CB-OD1 3.3Å; N457-N477 WeakPolarHBondContact CB-OD1 3.31Å; N457-N477 PolarHBondContact ND2-OD1 2.86Å; N457-N477 WeakPolarHBondContact O-CA 3.39Å; N457-Q478 PolarHBondContact O-N 2.86Å
458Q63.6Low62.6Low81 Ų8152 Ų5238%0.37926%0.26SS..EExtended strand (participates in β ladder)trans-119.7119.4175.9-64.4-175.78.600110.9N437 Q438 G439 Q478N437-Q458 PolarHBondContact O-N 2.94Å; Q438-Q458 HydrophobicContact CG-CB 4.47Å; G439-Q458 PolarHBondContact N-O 2.84Å; Q458-Q478 HydrophobicContact CG-CB 4.44Å
459G62.9Low62.8Low20 Ų2049 Ų4921%0.20625%0.253CS..EExtended strand (participates in β ladder)trans-179.3-176.1-177.900000117.6G439 Q478 G479G439-G459 WeakPolarHBondContact O-CA 3.44Å; G459-Q478 PolarHBondContact N-O 3.27Å; G459-G479 WeakPolarHBondContact O-CA 3.3Å
460K64Low63.1Low120 Ų12053.1 Ų53.152%0.52226%0.264SS..EExtended strand (participates in β ladder)trans-73.3-36.8176.8-70.7-173.3178.9-175.40111.8K440 K480 K481K440-K460 WeakPolarHBondContact O-CB 3.22Å; K440-K460 PolarHBondContact O-N 3.19Å; K440-K460 VanDerWaalsContact O-N 3.14Å; K460-K480 WeakPolarHBondContact O-CB 3.46Å; K460-K480 PolarHBondContact O-N 3.23Å; K460-K481 PolarHBondContact O-N 2.87Å; K460-K481 VanDerWaalsContact O-N 3.08Å
461K64.7Low63.3Low99 Ų9951.9 Ų51.943%0.4326%0.258SS..EExtended strand (participates in β ladder)trans-131.2125.1169.6-60-171.7177.5-169.20107.6K440 K441 P442 K481K440-K461 PolarHBondContact O-N 3.22Å; K440-K461 VanDerWaalsContact O-N 3.16Å; K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.36Å; K441-K461 HydrophobicContact CG-CB 4.34Å; P442-K461 WeakPolarHBondContact CD-O 2.95Å; K461-K481 CarbonylContact C-O 3.58Å; K461-K481 VanDerWaalsContact CA-O 3.3Å; K461-K481 WeakPolarHBondContact CA-O 3.11Å; K461-K481 HydrophobicContact CG-CB 4.28Å; K461-K481 HydrophobicContact CG-CD 4.45Å
462G60.9Low63.5Low6 Ų647.6 Ų47.66%0.06224%0.242CC..EExtended strand (participates in β ladder)trans-124.7137.6176.200000111.3P442 K481 G482 E483P442-G462 WeakPolarHBondContact O-CA 3.34Å; G462-K481 PolarHBondContact N-O 3.37Å; G462-G482 CarbonylContact O-C 3.55Å; G462-G482 VanDerWaalsContact O-CA 3.25Å; G462-G482 WeakPolarHBondContact O-CA 3.42Å; G462-E483 PolarHBondContact O-N 2.96Å
463E65.8Low63.8Low87 Ų8750.9 Ų50.941%0.40725%0.254SS..EExtended strand (participates in β ladder)trans-111.4134.7171.1-73.3172.6-154.900109.5P442 E443 G444 N457 E483P442-E463 PolarHBondContact O-N 2.83Å; E443-E463 HydrophobicContact CG-CB 4.4Å; G444-E463 WeakPolarHBondContact CA-O 3.03Å; G444-E463 PolarHBondContact N-O 2.9Å; N457-E463 PolarHBondContact ND2-O 2.88Å; E463-E483 HydrophobicContact CG-CB 4.32Å
464G63.9Low63.9Low15 Ų1548.7 Ų48.716%0.15525%0.247CC..PPolyproline II helixtrans-68.8155.8-179.200000113.6N477 E483G464-N477 WeakPolarHBondContact CA-ND2 3.49Å; G464-E483 PolarHBondContact N-O 3.34Å
465A66.7Low64.1Low0 Ų048.3 Ų48.30%024%0.243CC..PPolyproline II helixtrans-73.3139.5174.200000112.1T445 A475 A485T445-A465 WeakPolarHBondContact O-CB 3.38Å; A465-A475 HydrophobicContact CB-CB 4.02Å; A465-A485 WeakPolarHBondContact O-CA 3.34Å; A465-A485 WeakPolarHBondContact O-CB 3.33Å
466Q63.8Low64.2Low86 Ų8651.6 Ų51.640%0.40226%0.258SS..PPolyproline II helixtrans-84.4130.5165.5-68.1-177.4-45.700110.4S446 N447 Q486S446-Q466 CarbonylContact C-O 3.6Å; S446-Q466 VanDerWaalsContact CA-O 3.3Å; S446-Q466 WeakPolarHBondContact CA-O 3.27Å; S446-Q466 PolarHBondContact OG-O 2.91Å; N447-Q466 PolarHBondContact N-O 3.39Å; Q466-Q486 WeakPolarHBondContact CA-O 3.23Å; Q466-Q486 HydrophobicContact CG-CB 4.29Å
467N63.7Low64.3Low3 Ų348.4 Ų48.42%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-116.5125.6173.6-59.3-67.1000111N447 E473 Q486 N487 Q488N447-N467 WeakPolarHBondContact CB-OD1 3.27Å; N447-N467 PolarHBondContact ND2-OD1 2.92Å; N467-E473 PolarHBondContact ND2-O 3.11Å; N467-Q486 PolarHBondContact N-O 2.84Å; N467-N487 WeakPolarHBondContact CB-OD1 3.31Å; N467-N487 PolarHBondContact ND2-OD1 2.65Å; N467-N487 WeakPolarHBondContact O-CA 3.45Å; N467-Q488 PolarHBondContact O-N 3.38Å
468Q62.4Low64.3Low84 Ų8452.7 Ų52.739%0.39326%0.263SS..EExtended strand (participates in β ladder)trans-117.7121.4173.1-64.1-176.810.600110.3N447 G449 Q488N447-Q468 PolarHBondContact O-N 2.83Å; G449-Q468 PolarHBondContact N-O 2.89Å; Q468-Q488 WeakPolarHBondContact CA-O 3.39Å
469G62.5Low64.4Low26 Ų2649.9 Ų49.927%0.26826%0.256SS..EExtended strand (participates in β ladder)trans174.7-173.1-176.300000118.1G449 Q488 G489 K490G449-G469 WeakPolarHBondContact O-CA 3.43Å; G469-Q488 PolarHBondContact N-O 2.87Å; G469-G489 WeakPolarHBondContact O-CA 3.45Å; G469-K490 PolarHBondContact O-N 2.84Å
470K64.9Low64.6Low113 Ų11354.4 Ų54.449%0.49127%0.27SS..EExtended strand (participates in β ladder)trans-73.5-35.6174.1-69.1-174.8-179.7-1760111.8K450 K490 K491K450-K470 WeakPolarHBondContact O-CB 3.38Å; K450-K470 PolarHBondContact O-N 2.82Å; K470-K490 WeakPolarHBondContact O-CB 3.48Å; K470-K490 PolarHBondContact O-N 3.33Å; K470-K491 PolarHBondContact O-N 3.48Å; K470-K491 VanDerWaalsContact O-N 3.08Å
471K63.9Low64.9Low99 Ų9953.4 Ų53.443%0.4327%0.266SS..EExtended strand (participates in β ladder)trans-134.7132.5171.8-62.1-168.3178.6-166.70109.1K450 K451 G452 K491K450-K471 PolarHBondContact O-N 3.2Å; K451-K471 WeakPolarHBondContact CA-O 3.36Å; K451-K471 HydrophobicContact CG-CB 4.31Å; K451-K471 HydrophobicContact CG-CD 4.45Å; G452-K471 PolarHBondContact N-O 3.34Å; K471-K491 WeakPolarHBondContact CA-O 3.47Å; K471-K491 HydrophobicContact CG-CB 4.34Å
472G61.9Low64.8Low8 Ų849.2 Ų49.28%0.08225%0.25CS..EExtended strand (participates in β ladder)trans-138.8136.5174.900000111.8G452 K491 G492 E493G452-G472 VanDerWaalsContact O-CA 3.29Å; G452-G472 WeakPolarHBondContact O-CA 3.34Å; G472-K491 PolarHBondContact N-O 3.01Å; G472-G492 CarbonylContact O-C 3.58Å; G472-G492 VanDerWaalsContact O-CA 3.25Å; G472-G492 WeakPolarHBondContact O-CA 3.08Å; G472-E493 PolarHBondContact O-N 3.11Å
473E66.1Low65.1Low83 Ų8353 Ų5339%0.38827%0.266SS..EExtended strand (participates in β ladder)trans-110.9135.6169.8-70.1174.1-155.700109.3G452 E453 G454 N467 E493G452-E473 PolarHBondContact O-N 3.07Å; G452-E473 VanDerWaalsContact O-N 3.08Å; E453-E473 HydrophobicContact CG-CB 4.26Å; G454-E473 WeakPolarHBondContact CA-O 2.96Å; G454-E473 PolarHBondContact N-O 3.09Å; N467-E473 PolarHBondContact ND2-O 3.11Å; E473-E493 HydrophobicContact CG-CB 4.19Å
474G63.9Low65.1Low13 Ų1349.7 Ų49.713%0.13426%0.256CS..PPolyproline II helixtrans-67.1154-177.700000114N487 E493G474-N487 VanDerWaalsContact CA-ND2 3.32Å; G474-N487 WeakPolarHBondContact CA-ND2 3.39Å; G474-N487 PolarHBondContact N-ND2 3.47Å; G474-E493 PolarHBondContact N-O 2.89Å
475A67.7Low65.3Low0 Ų049 Ų490%025%0.249CC..PPolyproline II helixtrans-67.3143.7173.900000112.7A455 A465 A485 A495A455-A475 WeakPolarHBondContact O-CA 3.3Å; A455-A475 WeakPolarHBondContact O-CB 3.3Å; A465-A475 HydrophobicContact CB-CB 4.02Å; A475-A485 HydrophobicContact CB-CB 4.08Å; A475-A495 WeakPolarHBondContact O-CA 3.41Å; A475-A495 WeakPolarHBondContact O-CB 3.2Å
476Q66.4Low65.3Low70 Ų7052.1 Ų52.133%0.32726%0.263SS..PPolyproline II helixtrans-92.5126166.2-64.5179.7-45.600110.1Q456 N457 Q496Q456-Q476 WeakPolarHBondContact CA-O 3.24Å; Q456-Q476 HydrophobicContact CG-CB 4.33Å; N457-Q476 PolarHBondContact N-O 3.41Å; Q476-Q496 VanDerWaalsContact CA-O 3.31Å; Q476-Q496 WeakPolarHBondContact CA-O 3.23Å; Q476-Q496 HydrophobicContact CG-CB 4.28Å
477N65.7Low65.4Low3 Ų348.1 Ų48.12%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-113.5127.1174.5-56.7-69.3000111.1N457 G464 E483 Q496 N497 Q498N457-N477 VanDerWaalsContact CB-OD1 3.3Å; N457-N477 WeakPolarHBondContact CB-OD1 3.31Å; N457-N477 PolarHBondContact ND2-OD1 2.86Å; N457-N477 WeakPolarHBondContact O-CA 3.39Å; G464-N477 WeakPolarHBondContact CA-ND2 3.49Å; N477-E483 PolarHBondContact ND2-O 3.03Å; N477-Q496 PolarHBondContact N-O 3.44Å; N477-N497 WeakPolarHBondContact CB-OD1 3.31Å; N477-N497 PolarHBondContact ND2-OD1 2.86Å; N477-Q498 PolarHBondContact O-N 2.9Å
478Q65.7Low65.5Low91 Ų9152.1 Ų52.143%0.42526%0.263SS..EExtended strand (participates in β ladder)trans-117.7123172.3-63.7-177.110.500110.3N457 Q458 G459N457-Q478 PolarHBondContact O-N 2.86Å; Q458-Q478 HydrophobicContact CG-CB 4.44Å; G459-Q478 PolarHBondContact N-O 3.27Å
479G64.4Low65.6Low22 Ų2249.1 Ų49.123%0.22726%0.255CS..EExtended strand (participates in β ladder)trans176.5-175.5-17800000117.7G459 Q498 G499G459-G479 WeakPolarHBondContact O-CA 3.3Å; G479-Q498 PolarHBondContact N-O 2.95Å; G479-G499 WeakPolarHBondContact O-CA 3.44Å
480K68.6Low65.9Low115 Ų11553.2 Ų53.250%0.527%0.266SS..EExtended strand (participates in β ladder)trans-73.2-35.5173.6-68.8-174.1-179.9-175.30111.5K460 K500 K501K460-K480 WeakPolarHBondContact O-CB 3.46Å; K460-K480 PolarHBondContact O-N 3.23Å; K480-K500 WeakPolarHBondContact O-CB 3.13Å; K480-K500 PolarHBondContact O-N 2.93Å; K480-K501 PolarHBondContact O-N 2.87Å
481K69.5Low66.1Low99 Ų9952.8 Ų52.843%0.4326%0.264SS..EExtended strand (participates in β ladder)trans-129.7133.8170.9-61.2-166.7178.4-166.40108.8K460 K461 G462 K501K460-K481 PolarHBondContact O-N 2.87Å; K460-K481 VanDerWaalsContact O-N 3.08Å; K461-K481 CarbonylContact C-O 3.58Å; K461-K481 VanDerWaalsContact CA-O 3.3Å; K461-K481 WeakPolarHBondContact CA-O 3.11Å; K461-K481 HydrophobicContact CG-CB 4.28Å; K461-K481 HydrophobicContact CG-CD 4.45Å; G462-K481 PolarHBondContact N-O 3.37Å; K481-K501 CarbonylContact C-O 3.46Å; K481-K501 VanDerWaalsContact CA-O 3.27Å; K481-K501 WeakPolarHBondContact CA-O 3.32Å; K481-K501 HydrophobicContact CG-CB 4.33Å
482G63.2Low66.1Low10 Ų1048.4 Ų48.410%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-136.8134.917600000111.6G462 K501 G502 E503G462-G482 CarbonylContact O-C 3.55Å; G462-G482 VanDerWaalsContact O-CA 3.25Å; G462-G482 WeakPolarHBondContact O-CA 3.42Å; G482-K501 PolarHBondContact N-O 3.05Å; G482-G502 CarbonylContact O-C 3.59Å; G482-G502 WeakPolarHBondContact O-CA 3.21Å; G482-E503 PolarHBondContact O-N 2.91Å
483E67.5Low66.3Low86 Ų8651.9 Ų51.940%0.40226%0.261SS..EExtended strand (participates in β ladder)trans-110.8136.3170.4-73.2173.2-153.800109.8G462 E463 G464 N477 E503G462-E483 PolarHBondContact O-N 2.96Å; E463-E483 HydrophobicContact CG-CB 4.32Å; G464-E483 PolarHBondContact N-O 3.34Å; N477-E483 PolarHBondContact ND2-O 3.03Å; E483-E503 HydrophobicContact CG-CB 4.24Å
484G64.8Low66.2Low18 Ų1848.8 Ų48.819%0.18625%0.251CS..PPolyproline II helixtrans-71.3153.7-175.600000113.9N497 E503G484-N497 WeakPolarHBondContact CA-ND2 3.37Å; G484-N497 PolarHBondContact N-ND2 2.82Å; G484-E503 PolarHBondContact N-O 2.9Å
485A67.8Low66.4Low1 Ų148.2 Ų48.21%0.00825%0.245CC..PPolyproline II helixtrans-66151.5170.200000112.7A465 A475 A495 A505 Q506A465-A485 WeakPolarHBondContact O-CA 3.34Å; A465-A485 WeakPolarHBondContact O-CB 3.33Å; A475-A485 HydrophobicContact CB-CB 4.08Å; A485-A495 HydrophobicContact CB-CB 3.91Å; A485-A505 VanDerWaalsContact O-CA 3.31Å; A485-A505 WeakPolarHBondContact O-CA 3.38Å; A485-A505 WeakPolarHBondContact O-CB 3.47Å; A485-Q506 PolarHBondContact O-N 2.92Å
486Q66.4Low66.5Low65 Ų6551.2 Ų51.230%0.30426%0.26SS..EExtended strand (participates in β ladder)trans-101.7128.6161.9-62.6-179.2-50.200110.2Q466 N467 Q506Q466-Q486 WeakPolarHBondContact CA-O 3.23Å; Q466-Q486 HydrophobicContact CG-CB 4.29Å; N467-Q486 PolarHBondContact N-O 2.84Å; Q486-Q506 CarbonylContact C-O 3.56Å; Q486-Q506 VanDerWaalsContact CA-O 3.29Å; Q486-Q506 WeakPolarHBondContact CA-O 3.38Å; Q486-Q506 HydrophobicContact CG-CB 4.23Å
487N66.2Low66.5Low1 Ų148 Ų481%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-114.9125.1173-56.4-61.3000110.8N467 G474 E493 Q506 N507 Q508N467-N487 WeakPolarHBondContact CB-OD1 3.31Å; N467-N487 PolarHBondContact ND2-OD1 2.65Å; N467-N487 WeakPolarHBondContact O-CA 3.45Å; G474-N487 VanDerWaalsContact CA-ND2 3.32Å; G474-N487 WeakPolarHBondContact CA-ND2 3.39Å; G474-N487 PolarHBondContact N-ND2 3.47Å; N487-E493 PolarHBondContact ND2-O 3.23Å; N487-Q506 PolarHBondContact N-O 3.37Å; N487-N507 WeakPolarHBondContact CB-OD1 3.41Å; N487-N507 PolarHBondContact ND2-OD1 2.94Å; N487-Q508 PolarHBondContact O-N 2.98Å
488Q65.4Low66.6Low87 Ų8751.9 Ų51.941%0.40726%0.263SS..EExtended strand (participates in β ladder)trans-118.7122.6173.9-63.3-1769.900110.2N467 Q468 G469 Q508N467-Q488 PolarHBondContact O-N 3.38Å; Q468-Q488 WeakPolarHBondContact CA-O 3.39Å; G469-Q488 PolarHBondContact N-O 2.87Å; Q488-Q508 HydrophobicContact CG-CB 4.43Å
489G64.6Low66.6Low22 Ų2248.6 Ų48.623%0.22725%0.253CS..EExtended strand (participates in β ladder)trans176.5-174.8-178.800000117.9G469 Q508 G509 K510G469-G489 WeakPolarHBondContact O-CA 3.45Å; G489-Q508 PolarHBondContact N-O 3.43Å; G489-G509 WeakPolarHBondContact O-CA 3.44Å; G489-K510 PolarHBondContact O-N 2.9Å
490K69Low66.8Low111 Ų11153 Ų5348%0.48327%0.266SS..EExtended strand (participates in β ladder)trans-71.4-37.1174.4-69.2-173.5-179.6-174.50111.6G469 K470 K510 K511G469-K490 PolarHBondContact O-N 2.84Å; K470-K490 WeakPolarHBondContact O-CB 3.48Å; K470-K490 PolarHBondContact O-N 3.33Å; K490-K510 WeakPolarHBondContact O-CB 3.38Å; K490-K510 PolarHBondContact O-N 3.2Å; K490-K511 PolarHBondContact O-N 3.36Å
491K69.6Low66.9Low104 Ų10452.7 Ų52.745%0.45227%0.265SS..EExtended strand (participates in β ladder)trans-131.1130.5171.1-61.3-167.9178.6-166.70108.9K470 K471 G472 K511K470-K491 PolarHBondContact O-N 3.48Å; K470-K491 VanDerWaalsContact O-N 3.08Å; K471-K491 WeakPolarHBondContact CA-O 3.47Å; K471-K491 HydrophobicContact CG-CB 4.34Å; G472-K491 PolarHBondContact N-O 3.01Å; K491-K511 CarbonylContact C-O 3.54Å; K491-K511 VanDerWaalsContact CA-O 3.31Å; K491-K511 WeakPolarHBondContact CA-O 3.3Å; K491-K511 HydrophobicContact CG-CB 4.34Å
492G62.9Low66.6Low8 Ų848.3 Ų48.38%0.08225%0.247CC..EExtended strand (participates in β ladder)trans-133.6138.7175.600000111.7G472 K511 G512 E513G472-G492 CarbonylContact O-C 3.58Å; G472-G492 VanDerWaalsContact O-CA 3.25Å; G472-G492 WeakPolarHBondContact O-CA 3.08Å; G492-K511 PolarHBondContact N-O 3.19Å; G492-G512 CarbonylContact O-C 3.57Å; G492-G512 WeakPolarHBondContact O-CA 3.39Å; G492-E513 PolarHBondContact O-N 2.9Å
493E67.1Low66.9Low80 Ų8052.1 Ų52.137%0.37426%0.262SS..EExtended strand (participates in β ladder)trans-114.2140.3168.7-70.4174-157.300109.8G472 E473 G474 N487 E513G472-E493 PolarHBondContact O-N 3.11Å; E473-E493 HydrophobicContact CG-CB 4.19Å; G474-E493 PolarHBondContact N-O 2.89Å; N487-E493 PolarHBondContact ND2-O 3.23Å; E493-E513 HydrophobicContact CG-CB 4.19Å; E493-E513 HydrophobicContact CG-CG 4.44Å
494G64.4Low66.7Low18 Ų1849 Ų4919%0.18625%0.253CS..  trans-71.8151.8-174.400000114.2N507 E513G494-N507 WeakPolarHBondContact CA-ND2 3.36Å; G494-N507 PolarHBondContact N-ND2 2.94Å; G494-E513 PolarHBondContact N-O 2.86Å
495A68.1Low67Low1 Ų148.3 Ų48.31%0.00825%0.245CC..  trans-69.9152.5170.400000112.8A475 A485 A505 A515 Q516A475-A495 WeakPolarHBondContact O-CA 3.41Å; A475-A495 WeakPolarHBondContact O-CB 3.2Å; A485-A495 HydrophobicContact CB-CB 3.91Å; A495-A505 HydrophobicContact CB-CB 3.75Å; A495-A515 WeakPolarHBondContact O-CA 3.36Å; A495-A515 WeakPolarHBondContact O-CB 3.37Å; A495-Q516 PolarHBondContact O-N 2.9Å; A495-Q516 VanDerWaalsContact O-N 3.15Å
496Q68.4Low67Low64 Ų6451.3 Ų51.330%0.29926%0.259SS..EExtended strand (participates in β ladder)trans-104.4127.4166.3-63.4179.9-46.600110.5Q476 N477 Q516Q476-Q496 VanDerWaalsContact CA-O 3.31Å; Q476-Q496 WeakPolarHBondContact CA-O 3.23Å; Q476-Q496 HydrophobicContact CG-CB 4.28Å; N477-Q496 PolarHBondContact N-O 3.44Å; Q496-Q516 VanDerWaalsContact CA-O 3.3Å; Q496-Q516 WeakPolarHBondContact CA-O 3.34Å; Q496-Q516 HydrophobicContact CG-CB 4.28Å
497N67.3Low67.1Low3 Ų348.3 Ų48.32%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-114.5125.6174-72.3-25.9000110.3N477 G484 E503 Q516 N517 Q518N477-N497 WeakPolarHBondContact CB-OD1 3.31Å; N477-N497 PolarHBondContact ND2-OD1 2.86Å; G484-N497 WeakPolarHBondContact CA-ND2 3.37Å; G484-N497 PolarHBondContact N-ND2 2.82Å; N497-E503 PolarHBondContact ND2-O 2.95Å; N497-Q516 PolarHBondContact N-O 2.9Å; N497-N517 PolarHBondContact O-OD1 2.87Å; N497-Q518 PolarHBondContact O-N 3.34Å
498Q67Low67.1Low84 Ų8452.1 Ų52.139%0.39326%0.263SS..EExtended strand (participates in β ladder)trans-121.7121.3175.2-63.8-175.611.500110.2N477 G479 Q518N477-Q498 PolarHBondContact O-N 2.9Å; G479-Q498 PolarHBondContact N-O 2.95Å; Q498-Q518 WeakPolarHBondContact CA-O 2.89Å; Q498-Q518 HydrophobicContact CG-CB 4.43Å
499G65.7Low67.3Low21 Ų2149.1 Ų49.122%0.21626%0.256CS..EExtended strand (participates in β ladder)trans178.8-176.2-179.800000118G479 Q518 G519 K520G479-G499 WeakPolarHBondContact O-CA 3.44Å; G499-Q518 PolarHBondContact N-O 3.48Å; G499-G519 WeakPolarHBondContact O-CA 3.38Å; G499-K520 PolarHBondContact O-N 3.11Å
500K69.9Low67.6Low116 Ų11653.7 Ų53.750%0.50427%0.269SS..EExtended strand (participates in β ladder)trans-72.6-37.2175-69.8-172.7-179.6-174.40111.6K480 K520 K521K480-K500 WeakPolarHBondContact O-CB 3.13Å; K480-K500 PolarHBondContact O-N 2.93Å; K500-K520 WeakPolarHBondContact O-CB 3.37Å; K500-K520 PolarHBondContact O-N 3.22Å; K500-K521 PolarHBondContact O-N 2.94Å; K500-K521 VanDerWaalsContact O-N 3.09Å
501K71Confident67.8Low108 Ų10853.8 Ų53.847%0.4727%0.27SS..EExtended strand (participates in β ladder)trans-128.4131.2170.7-64.9-170.4176.4-165.60108.4K480 K481 G482 K521K480-K501 PolarHBondContact O-N 2.87Å; K481-K501 CarbonylContact C-O 3.46Å; K481-K501 VanDerWaalsContact CA-O 3.27Å; K481-K501 WeakPolarHBondContact CA-O 3.32Å; K481-K501 HydrophobicContact CG-CB 4.33Å; G482-K501 PolarHBondContact N-O 3.05Å; K501-K521 VanDerWaalsContact CA-O 3.26Å; K501-K521 WeakPolarHBondContact CA-O 3.38Å
502G63.5Low67.6Low6 Ų649.1 Ų49.16%0.06225%0.251CS..EExtended strand (participates in β ladder)trans-135.2140.7174.800000111.4G482 N517 K521 G522 E523G482-G502 CarbonylContact O-C 3.59Å; G482-G502 WeakPolarHBondContact O-CA 3.21Å; G502-N517 PolarHBondContact O-ND2 3.01Å; G502-K521 PolarHBondContact N-O 3.46Å; G502-K521 VanDerWaalsContact N-O 3.1Å; G502-G522 CarbonylContact O-C 3.57Å; G502-G522 WeakPolarHBondContact O-CA 3.48Å; G502-E523 PolarHBondContact O-N 3.42Å
503E67.7Low67.8Low91 Ų9153 Ų5343%0.42527%0.267SS..EExtended strand (participates in β ladder)trans-106.9139.6165.5-74.1171.5-157.200109.4G482 E483 G484 N497 E523G482-E503 PolarHBondContact O-N 2.91Å; E483-E503 HydrophobicContact CG-CB 4.24Å; G484-E503 PolarHBondContact N-O 2.9Å; N497-E503 PolarHBondContact ND2-O 2.95Å; E503-E523 HydrophobicContact CG-CB 4.38Å
504G65.1Low67.7Low21 Ų2150 Ų5022%0.21626%0.257CS..  trans-68.6158.5-176.400000113E523G504-E523 WeakPolarHBondContact CA-O 3.4Å; G504-E523 PolarHBondContact N-O 3.43Å
505A69.2Low68Low2 Ų249.2 Ų49.22%0.01725%0.25CC..  trans-85.1154.9173.500000112.4A485 A495 A515 P525 Q526A485-A505 VanDerWaalsContact O-CA 3.31Å; A485-A505 WeakPolarHBondContact O-CA 3.38Å; A485-A505 WeakPolarHBondContact O-CB 3.47Å; A495-A505 HydrophobicContact CB-CB 3.75Å; A505-A515 HydrophobicContact CB-CB 3.71Å; A505-P525 WeakPolarHBondContact O-CA 3.34Å; A505-P525 VanDerWaalsContact O-CB 3.24Å; A505-P525 WeakPolarHBondContact O-CB 3.31Å; A505-Q526 PolarHBondContact O-N 3.19Å
506Q68.5Low68.1Low64 Ų6452.1 Ų52.130%0.29926%0.263SS..EExtended strand (participates in β ladder)trans-108.2129.3172-60.5-173.8-50.200111.5A485 Q486 N487 Q526A485-Q506 PolarHBondContact O-N 2.92Å; Q486-Q506 CarbonylContact C-O 3.56Å; Q486-Q506 VanDerWaalsContact CA-O 3.29Å; Q486-Q506 WeakPolarHBondContact CA-O 3.38Å; Q486-Q506 HydrophobicContact CG-CB 4.23Å; N487-Q506 PolarHBondContact N-O 3.37Å; Q506-Q526 VanDerWaalsContact CA-O 3.29Å; Q506-Q526 WeakPolarHBondContact CA-O 3.3Å; Q506-Q526 HydrophobicContact CG-CB 4.24Å
507N67.8Low68.2Low3 Ų349.1 Ų49.12%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-116.8128173.9-73.6-23.6000110.8N487 G494 E513 Q526 Q528N487-N507 WeakPolarHBondContact CB-OD1 3.41Å; N487-N507 PolarHBondContact ND2-OD1 2.94Å; G494-N507 WeakPolarHBondContact CA-ND2 3.36Å; G494-N507 PolarHBondContact N-ND2 2.94Å; N507-E513 PolarHBondContact ND2-O 3.28Å; N507-Q526 PolarHBondContact N-O 3.47Å; N507-Q528 PolarHBondContact O-N 3.42Å
508Q68.1Low68.2Low80 Ų8052.5 Ų52.537%0.37427%0.265SS..EExtended strand (participates in β ladder)trans-125.5129.4176-61.3-174.48.500111.2N487 Q488 G489 Q528N487-Q508 PolarHBondContact O-N 2.98Å; Q488-Q508 HydrophobicContact CG-CB 4.43Å; G489-Q508 PolarHBondContact N-O 3.43Å; Q508-Q528 WeakPolarHBondContact CA-O 3.3Å; Q508-Q528 HydrophobicContact CG-CB 4.31Å
509G68.6Low68.2Low25 Ų2549.4 Ų49.426%0.25826%0.256SS..EExtended strand (participates in β ladder)trans172.8-168.6179.600000119.3G489 Q528 A529 K530G489-G509 WeakPolarHBondContact O-CA 3.44Å; G509-Q528 PolarHBondContact N-O 3.29Å; G509-Q528 VanDerWaalsContact N-O 3.13Å; G509-A529 VanDerWaalsContact O-CA 3.23Å; G509-A529 WeakPolarHBondContact O-CA 3.35Å; G509-K530 PolarHBondContact O-N 3.04Å; G509-K530 VanDerWaalsContact O-N 3.17Å
510K71.8Confident68.5Low117 Ų11753.7 Ų53.751%0.50927%0.268SS..EExtended strand (participates in β ladder)trans-78.4-39.6172.6-66-169.8-179.2-169.20111.6G489 K490 K530 K531G489-K510 PolarHBondContact O-N 2.9Å; K490-K510 WeakPolarHBondContact O-CB 3.38Å; K490-K510 PolarHBondContact O-N 3.2Å; K510-K530 WeakPolarHBondContact O-CB 3.24Å; K510-K530 PolarHBondContact O-N 3.09Å; K510-K531 PolarHBondContact O-N 3.11Å
511K73Confident68.5Low113 Ų11353.4 Ų53.449%0.49127%0.267SS..EExtended strand (participates in β ladder)trans-128.4134170.6-63.7-171174.9-167.90108.6K490 K491 G492 K531K490-K511 PolarHBondContact O-N 3.36Å; K491-K511 CarbonylContact C-O 3.54Å; K491-K511 VanDerWaalsContact CA-O 3.31Å; K491-K511 WeakPolarHBondContact CA-O 3.3Å; K491-K511 HydrophobicContact CG-CB 4.34Å; G492-K511 PolarHBondContact N-O 3.19Å; K511-K531 CarbonylContact C-O 3.48Å; K511-K531 VanDerWaalsContact CA-O 3.29Å; K511-K531 WeakPolarHBondContact CA-O 3.4Å; K511-K531 HydrophobicContact CG-CB 4.43Å
512G64Low68.1Low6 Ų648.7 Ų48.76%0.06225%0.249CC..EExtended strand (participates in β ladder)trans-141.5129.5179.700000111.3G492 N527 K531 G532 E533G492-G512 CarbonylContact O-C 3.57Å; G492-G512 WeakPolarHBondContact O-CA 3.39Å; G512-N527 PolarHBondContact O-ND2 3.3Å; G512-K531 PolarHBondContact N-O 3.28Å; G512-G532 CarbonylContact O-C 3.59Å; G512-G532 WeakPolarHBondContact O-CA 3.34Å; G512-E533 PolarHBondContact O-N 2.96Å
513E67.9Low68.3Low90 Ų9053.4 Ų53.442%0.42127%0.269SS..EExtended strand (participates in β ladder)trans-96.4136.5164-68.3178.1-163.500108.6G492 E493 G494 N507 E533G492-E513 PolarHBondContact O-N 2.9Å; E493-E513 HydrophobicContact CG-CB 4.19Å; E493-E513 HydrophobicContact CG-CG 4.44Å; G494-E513 PolarHBondContact N-O 2.86Å; N507-E513 PolarHBondContact ND2-O 3.28Å; E513-E533 HydrophobicContact CG-CB 4.23Å
514G65.2Low68.2Low16 Ų1649.7 Ų49.717%0.16526%0.256CS..PPolyproline II helixtrans-69.5162.5-177.600000112.8E533 G534G514-E533 PolarHBondContact N-O 2.93Å; G514-G534 WeakPolarHBondContact CA-O 3.27Å; G514-G534 PolarHBondContact N-O 2.66Å
515A70.3Confident68.5Low3 Ų348.7 Ų48.73%0.02525%0.246CC..PPolyproline II helixtrans-86166.4177.600000111.7A495 A505 P525 Q536A495-A515 WeakPolarHBondContact O-CA 3.36Å; A495-A515 WeakPolarHBondContact O-CB 3.37Å; A505-A515 HydrophobicContact CB-CB 3.71Å; A515-P525 VanDerWaalsContact C-CG 3.47Å; A515-P525 HydrophobicContact CB-CB 3.4Å; A515-P525 HydrophobicContact CB-CG 3.69Å; A515-P525 WeakPolarHBondContact O-CG 3.28Å; A515-Q536 PolarHBondContact O-N 2.85Å
516Q70.3Confident68.6Low61 Ų6150.8 Ų50.829%0.28526%0.255SS..EExtended strand (participates in β ladder)trans-119.7130.4171.5-60.6-179-48.600110.3A495 Q496 N497 Q536A495-Q516 PolarHBondContact O-N 2.9Å; A495-Q516 VanDerWaalsContact O-N 3.15Å; Q496-Q516 VanDerWaalsContact CA-O 3.3Å; Q496-Q516 WeakPolarHBondContact CA-O 3.34Å; Q496-Q516 HydrophobicContact CG-CB 4.28Å; N497-Q516 PolarHBondContact N-O 2.9Å; Q516-Q536 WeakPolarHBondContact CA-O 3.29Å; Q516-Q536 HydrophobicContact CG-CB 4.23Å
517N69.7Low68.8Low1 Ų147.7 Ų47.71%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-117.4125.5171.7-169.48.9000109.6N497 G502 E523 Q536 N537 Q538N497-N517 PolarHBondContact O-OD1 2.87Å; G502-N517 PolarHBondContact O-ND2 3.01Å; N517-E523 PolarHBondContact ND2-O 2.86Å; N517-Q536 PolarHBondContact N-O 3.14Å; N517-N537 PolarHBondContact O-OD1 3.36Å; N517-Q538 PolarHBondContact O-N 2.88Å
518Q68.9Low69Low75 Ų7550.9 Ų50.935%0.3526%0.255SS..EExtended strand (participates in β ladder)trans-122.7121.2177.9-63.7-172.910.400110.4N497 Q498 G499 Q538N497-Q518 PolarHBondContact O-N 3.34Å; Q498-Q518 WeakPolarHBondContact CA-O 2.89Å; Q498-Q518 HydrophobicContact CG-CB 4.43Å; G499-Q518 PolarHBondContact N-O 3.48Å; Q518-Q538 VanDerWaalsContact CA-O 3.32Å; Q518-Q538 WeakPolarHBondContact CA-O 3.31Å; Q518-Q538 HydrophobicContact CG-CB 4.38Å
519G66.8Low69.3Low19 Ų1947.3 Ų47.320%0.19624%0.239CC..EExtended strand (participates in β ladder)trans-177.8180178.500000118.2G499 Q538 G539 K540G499-G519 WeakPolarHBondContact O-CA 3.38Å; G519-Q538 PolarHBondContact N-O 3.43Å; G519-G539 CarbonylContact O-C 3.59Å; G519-G539 WeakPolarHBondContact O-CA 3.48Å; G519-K540 PolarHBondContact O-N 3.13Å
520K70.3Confident69.4Low111 Ų11151.6 Ų51.648%0.48325%0.251SS..EExtended strand (participates in β ladder)trans-70.2-37.7176.4-70.3-173-179.7-174.50111.5G499 K500 K540 K541G499-K520 PolarHBondContact O-N 3.11Å; K500-K520 WeakPolarHBondContact O-CB 3.37Å; K500-K520 PolarHBondContact O-N 3.22Å; K520-K540 WeakPolarHBondContact O-CB 3.39Å; K520-K540 PolarHBondContact O-N 2.93Å; K520-K541 PolarHBondContact O-N 2.91Å
521K70.5Confident69.5Low109 Ų10950.1 Ų50.147%0.47424%0.244SC..EExtended strand (participates in β ladder)trans-132.8134.3171-64.4-172.2177.7-170.40107.8K500 K501 G502 K541K500-K521 PolarHBondContact O-N 2.94Å; K500-K521 VanDerWaalsContact O-N 3.09Å; K501-K521 VanDerWaalsContact CA-O 3.26Å; K501-K521 WeakPolarHBondContact CA-O 3.38Å; G502-K521 PolarHBondContact N-O 3.46Å; G502-K521 VanDerWaalsContact N-O 3.1Å; K521-K541 CarbonylContact C-O 3.56Å; K521-K541 VanDerWaalsContact CA-O 3.28Å; K521-K541 WeakPolarHBondContact CA-O 3.38Å; K521-K541 HydrophobicContact CG-CB 4.37Å
522G62.9Low69Low10 Ų1044.8 Ų44.810%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-154.8148.2171.300000114.8G502 N537 K541 G542 E543G502-G522 CarbonylContact O-C 3.57Å; G502-G522 WeakPolarHBondContact O-CA 3.48Å; G522-N537 PolarHBondContact O-ND2 2.86Å; G522-K541 PolarHBondContact N-O 2.9Å; G522-G542 WeakPolarHBondContact O-CA 3.24Å; G522-E543 PolarHBondContact O-N 2.89Å
523E67.8Low69.2Low104 Ų10447.2 Ų47.249%0.48623%0.232SC..EExtended strand (participates in β ladder)trans-90.8140.4165.7-67.1-177.7-170.100109.2G502 E503 G504 N517 E543G502-E523 PolarHBondContact O-N 3.42Å; E503-E523 HydrophobicContact CG-CB 4.38Å; G504-E523 WeakPolarHBondContact CA-O 3.4Å; G504-E523 PolarHBondContact N-O 3.43Å; N517-E523 PolarHBondContact ND2-O 2.86Å; E523-E543 CarbonylContact C-O 3.53Å; E523-E543 WeakPolarHBondContact CA-O 3.38Å
524G66.5Low69.1Low13 Ų1344.1 Ų44.113%0.13422%0.224CC..PPolyproline II helixtrans-76.6156.9-172.600000111.6N537 E543G524-N537 PolarHBondContact N-ND2 2.89Å; G524-E543 WeakPolarHBondContact CA-O 3.29Å; G524-E543 PolarHBondContact N-O 2.9Å
525P71.2Confident69.4Low1 Ų143.4 Ų43.41%0.00622%0.216CC..PPolyproline II helixtrans-75.9157.4174.918.1-11000112.4A505 A515 A535 Q546A505-P525 WeakPolarHBondContact O-CA 3.34Å; A505-P525 VanDerWaalsContact O-CB 3.24Å; A505-P525 WeakPolarHBondContact O-CB 3.31Å; A515-P525 VanDerWaalsContact C-CG 3.47Å; A515-P525 HydrophobicContact CB-CB 3.4Å; A515-P525 HydrophobicContact CB-CG 3.69Å; A515-P525 WeakPolarHBondContact O-CG 3.28Å; P525-A535 HydrophobicContact CB-CB 4.27Å; P525-A535 HydrophobicContact CG-CB 3.85Å; P525-A535 WeakPolarHBondContact O-CB 3.24Å; P525-Q546 PolarHBondContact O-N 2.9Å; P525-Q546 VanDerWaalsContact O-N 3.08Å
526Q71.3Confident69.5Low45 Ų4545.6 Ų45.621%0.2123%0.226CC..EExtended strand (participates in β ladder)trans-119125.3177.1-173-177.1-4.900110.4A505 Q506 N507 Q528 Q546A505-Q526 PolarHBondContact O-N 3.19Å; Q506-Q526 VanDerWaalsContact CA-O 3.29Å; Q506-Q526 WeakPolarHBondContact CA-O 3.3Å; Q506-Q526 HydrophobicContact CG-CB 4.24Å; N507-Q526 PolarHBondContact N-O 3.47Å; Q526-Q528 VanDerWaalsContact NE2-NE2 3.13Å; Q526-Q546 WeakPolarHBondContact CA-O 3.31Å; Q526-Q546 HydrophobicContact CG-CB 4.09Å
527N72.1Confident69.6Low0 Ų042.7 Ų42.70%021%0.213CC..EExtended strand (participates in β ladder)trans-114.6119175.7-169.811000109.7G512 E533 Q546 N547 Q548G512-N527 PolarHBondContact O-ND2 3.3Å; N527-E533 PolarHBondContact ND2-O 2.85Å; N527-Q546 PolarHBondContact N-O 2.95Å; N527-N547 CarbonylContact O-C 3.59Å; N527-N547 WeakPolarHBondContact O-CA 3.44Å; N527-N547 PolarHBondContact O-OD1 3.46Å; N527-Q548 PolarHBondContact O-N 3.19Å
528Q72.5Confident69.7Low69 Ų6945.8 Ų45.832%0.32223%0.227SC..EExtended strand (participates in β ladder)trans-116.391.8173.5-73.2-174.1-1600109.3N507 Q508 G509 Q526 Q548N507-Q528 PolarHBondContact O-N 3.42Å; Q508-Q528 WeakPolarHBondContact CA-O 3.3Å; Q508-Q528 HydrophobicContact CG-CB 4.31Å; G509-Q528 PolarHBondContact N-O 3.29Å; G509-Q528 VanDerWaalsContact N-O 3.13Å; Q526-Q528 VanDerWaalsContact NE2-NE2 3.13Å; Q528-Q548 WeakPolarHBondContact CA-O 3.32Å; Q528-Q548 HydrophobicContact CG-CB 4.2Å
529A73Confident69.7Low5 Ų543.2 Ų43.24%0.04122%0.221CC..EExtended strand (participates in β ladder)trans-138.3151.6-175.800000113.7G509 K531 Q548 G549G509-A529 VanDerWaalsContact O-CA 3.23Å; G509-A529 WeakPolarHBondContact O-CA 3.35Å; A529-K531 VanDerWaalsContact C-N 3.3Å; A529-K531 WeakPolarHBondContact CB-O 3.44Å; A529-K531 PolarHBondContact O-N 2.93Å; A529-Q548 PolarHBondContact N-O 3.01Å; A529-G549 WeakPolarHBondContact O-CA 3.33Å
530K71.3Confident70Confident116 Ų11647.5 Ų47.550%0.50423%0.234SC..EExtended strand (participates in β ladder)trans-61.3-40.5174.1-68.3-178.3179.3-179.80111.6G509 K510 K550 K551G509-K530 PolarHBondContact O-N 3.04Å; G509-K530 VanDerWaalsContact O-N 3.17Å; K510-K530 WeakPolarHBondContact O-CB 3.24Å; K510-K530 PolarHBondContact O-N 3.09Å; K530-K550 WeakPolarHBondContact O-CB 3.39Å; K530-K550 PolarHBondContact O-N 2.96Å; K530-K550 VanDerWaalsContact O-N 3.15Å; K530-K551 PolarHBondContact O-N 3.49Å
531K73.3Confident70.1Confident85 Ų8546.9 Ų46.937%0.3723%0.231SC..EExtended strand (participates in β ladder)trans-120.7112163.7-166.8-166.9-174.8-120.50108.3K510 K511 G512 A529 E533 K551K510-K531 PolarHBondContact O-N 3.11Å; K511-K531 CarbonylContact C-O 3.48Å; K511-K531 VanDerWaalsContact CA-O 3.29Å; K511-K531 WeakPolarHBondContact CA-O 3.4Å; K511-K531 HydrophobicContact CG-CB 4.43Å; G512-K531 PolarHBondContact N-O 3.28Å; A529-K531 VanDerWaalsContact C-N 3.3Å; A529-K531 WeakPolarHBondContact CB-O 3.44Å; A529-K531 PolarHBondContact O-N 2.93Å; K531-E533 IonicContact NZ-OE1 2.74Å; K531-E533 PolarHBondContact NZ-OE1 2.86Å; K531-K551 CarbonylContact C-O 3.59Å; K531-K551 VanDerWaalsContact CA-O 3.27Å; K531-K551 WeakPolarHBondContact CA-O 3.39Å; K531-K551 HydrophobicContact CG-CB 4.28Å
532G64.3Low69.8Low2 Ų241.8 Ų41.82%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-113.1141.4-179.800000112.3G512 K551 G552 E553G512-G532 CarbonylContact O-C 3.59Å; G512-G532 WeakPolarHBondContact O-CA 3.34Å; G532-K551 PolarHBondContact N-O 3.4Å; G532-G552 CarbonylContact O-C 3.58Å; G532-G552 VanDerWaalsContact O-CA 3.22Å; G532-G552 WeakPolarHBondContact O-CA 3.39Å; G532-E553 PolarHBondContact O-N 3.05Å
533E68Low70Confident56 Ų5645.4 Ų45.426%0.26222%0.224SC..EExtended strand (participates in β ladder)trans-114.3156.6166.5-73.9166.2-151.200109.9G512 E513 G514 N527 K531 E553G512-E533 PolarHBondContact O-N 2.96Å; E513-E533 HydrophobicContact CG-CB 4.23Å; G514-E533 PolarHBondContact N-O 2.93Å; N527-E533 PolarHBondContact ND2-O 2.85Å; K531-E533 IonicContact NZ-OE1 2.74Å; K531-E533 PolarHBondContact NZ-OE1 2.86Å; E533-E553 HydrophobicContact CG-CB 4.33Å; E533-E553 HydrophobicContact CG-CG 4.47Å
534G64.6Low69.9Low26 Ų2642 Ų4227%0.26822%0.216SC..  trans-56.1147.6-154.200000117.8G514 E553 G554G514-G534 WeakPolarHBondContact CA-O 3.27Å; G514-G534 PolarHBondContact N-O 2.66Å; G534-E553 WeakPolarHBondContact CA-O 3.38Å; G534-E553 PolarHBondContact N-O 2.79Å; G534-G554 WeakPolarHBondContact CA-O 3.48Å
535A71.2Confident70.1Confident0 Ų041.3 Ų41.30%021%0.21CC..  trans-98.5130.2171.600000109.6P525 A545 A555 Q556P525-A535 HydrophobicContact CB-CB 4.27Å; P525-A535 HydrophobicContact CG-CB 3.85Å; P525-A535 WeakPolarHBondContact O-CB 3.24Å; A535-A545 HydrophobicContact CB-CB 4.48Å; A535-A555 HydrophobicContact CB-CB 4.48Å; A535-A555 CarbonylContact O-C 3.57Å; A535-A555 WeakPolarHBondContact O-CA 3.4Å; A535-Q556 PolarHBondContact O-N 3.11Å
536Q72.5Confident70.2Confident49 Ų4943.6 Ų43.623%0.22922%0.22CC..EExtended strand (participates in β ladder)trans-121.9135.4-176.3-62.5-178.1-37.700112.6A515 Q516 N517 Q556A515-Q536 PolarHBondContact O-N 2.85Å; Q516-Q536 WeakPolarHBondContact CA-O 3.29Å; Q516-Q536 HydrophobicContact CG-CB 4.23Å; N517-Q536 PolarHBondContact N-O 3.14Å; Q536-Q556 WeakPolarHBondContact CA-O 3.19Å; Q536-Q556 HydrophobicContact CG-CB 4.29Å
537N73Confident70.1Confident1 Ų141.4 Ų41.41%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-126.5125.3170.8-168.57.8000109.5N517 G522 G524 G542 E543 Q556 N557 Q558N517-N537 PolarHBondContact O-OD1 3.36Å; G522-N537 PolarHBondContact O-ND2 2.86Å; G524-N537 PolarHBondContact N-ND2 2.89Å; N537-G542 WeakPolarHBondContact ND2-CA 3.27Å; N537-E543 PolarHBondContact ND2-N 2.86Å; N537-E543 PolarHBondContact ND2-O 2.85Å; N537-Q556 PolarHBondContact N-O 3.08Å; N537-N557 CarbonylContact O-C 3.6Å; N537-N557 VanDerWaalsContact O-CA 3.31Å; N537-N557 WeakPolarHBondContact O-CA 2.89Å; N537-N557 PolarHBondContact O-OD1 3.32Å; N537-Q558 PolarHBondContact O-N 2.94Å
538Q71.8Confident70.1Confident66 Ų6644.1 Ų44.131%0.30822%0.223SC..EExtended strand (participates in β ladder)trans-127.8127.1179.3-61.8-174.49.200110.4N517 Q518 G519 Q558N517-Q538 PolarHBondContact O-N 2.88Å; Q518-Q538 VanDerWaalsContact CA-O 3.32Å; Q518-Q538 WeakPolarHBondContact CA-O 3.31Å; Q518-Q538 HydrophobicContact CG-CB 4.38Å; G519-Q538 PolarHBondContact N-O 3.43Å; Q538-Q558 CarbonylContact C-O 3.42Å; Q538-Q558 WeakPolarHBondContact CA-O 2.89Å; Q538-Q558 HydrophobicContact CG-CB 4.34Å
539G69.5Low70Confident21 Ų2142.1 Ų42.122%0.21622%0.22CC..EExtended strand (participates in β ladder)trans179.3-178.2-179.300000117.6G519 K541 Q558 G559G519-G539 CarbonylContact O-C 3.59Å; G519-G539 WeakPolarHBondContact O-CA 3.48Å; G539-K541 VanDerWaalsContact C-N 3.35Å; G539-Q558 PolarHBondContact N-O 3.21Å; G539-G559 WeakPolarHBondContact O-CA 3.32Å
540K73.3Confident70Confident109 Ų10947.3 Ų47.347%0.47424%0.242SC..EExtended strand (participates in β ladder)trans-70.2-36.5172.7-68.5-173.8179.7-174.30111.2G519 K520 K560 K561G519-K540 PolarHBondContact O-N 3.13Å; K520-K540 WeakPolarHBondContact O-CB 3.39Å; K520-K540 PolarHBondContact O-N 2.93Å; K540-K560 WeakPolarHBondContact O-CB 3.23Å; K540-K560 PolarHBondContact O-N 3.39Å; K540-K560 VanDerWaalsContact O-N 3.15Å; K540-K561 PolarHBondContact O-N 3.14Å; K540-K561 VanDerWaalsContact O-N 3.08Å
541K71.5Confident69.9Low98 Ų9847.8 Ų47.843%0.42624%0.244SC..EExtended strand (participates in β ladder)trans-132.3116.2170.8-61.6-169.5177.4-166.10108.5K520 K521 G522 G539 K561K520-K541 PolarHBondContact O-N 2.91Å; K521-K541 CarbonylContact C-O 3.56Å; K521-K541 VanDerWaalsContact CA-O 3.28Å; K521-K541 WeakPolarHBondContact CA-O 3.38Å; K521-K541 HydrophobicContact CG-CB 4.37Å; G522-K541 PolarHBondContact N-O 2.9Å; G539-K541 VanDerWaalsContact C-N 3.35Å; K541-K561 VanDerWaalsContact CA-O 3.3Å; K541-K561 WeakPolarHBondContact CA-O 3.23Å; K541-K561 HydrophobicContact CG-CB 4.28Å
542G63.5Low69.5Low2 Ų244.1 Ų44.12%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-122.7138.5175.800000110.8G522 N537 N557 K561 A562 E563G522-G542 WeakPolarHBondContact O-CA 3.24Å; N537-G542 WeakPolarHBondContact ND2-CA 3.27Å; G542-N557 PolarHBondContact O-ND2 2.9Å; G542-K561 PolarHBondContact N-O 3.48Å; G542-A562 WeakPolarHBondContact O-CA 3.39Å; G542-E563 PolarHBondContact O-N 3.36Å
543E68.4Low69.6Low86 Ų8648 Ų4840%0.40225%0.248SC..EExtended strand (participates in β ladder)trans-130.8143.6178.1-70.6170.1-15800109.9G522 E523 G524 N537 E563G522-E543 PolarHBondContact O-N 2.89Å; E523-E543 CarbonylContact C-O 3.53Å; E523-E543 WeakPolarHBondContact CA-O 3.38Å; G524-E543 WeakPolarHBondContact CA-O 3.29Å; G524-E543 PolarHBondContact N-O 2.9Å; N537-E543 PolarHBondContact ND2-N 2.86Å; N537-E543 PolarHBondContact ND2-O 2.85Å; E543-E563 CarbonylContact C-O 3.58Å; E543-E563 WeakPolarHBondContact CA-O 3.43Å; E543-E563 HydrophobicContact CG-CB 4.32Å
544G65.9Low69.5Low31 Ų3146 Ų4632%0.3224%0.242SC..  trans84.129151.300000120.7Q546 E563 G564G544-Q546 PolarHBondContact O-N 2.95Å; G544-E563 PolarHBondContact N-O 2.86Å; G544-G564 CarbonylContact C-O 3.52Å; G544-G564 WeakPolarHBondContact CA-O 3.28Å; G544-G564 PolarHBondContact N-O 3.12Å
545A70.7Confident69.9Low0 Ų044.8 Ų44.80%023%0.229CC..  trans-74.2122.8175.500000111.7A535 A555 G564 V565 Q566A535-A545 HydrophobicContact CB-CB 4.48Å; A545-A555 HydrophobicContact CB-CB 3.97Å; A545-A555 WeakPolarHBondContact O-CB 3.44Å; A545-G564 PolarHBondContact N-O 2.95Å; A545-V565 WeakPolarHBondContact O-CA 3.29Å; A545-Q566 PolarHBondContact O-N 3.28Å
546Q71.7Confident70Confident48 Ų4847.1 Ų47.122%0.22424%0.24CC..EExtended strand (participates in β ladder)trans-130.6136.7-173.3-68.5-174.2-37.700113.6P525 Q526 N527 G544 Q566P525-Q546 PolarHBondContact O-N 2.9Å; P525-Q546 VanDerWaalsContact O-N 3.08Å; Q526-Q546 WeakPolarHBondContact CA-O 3.31Å; Q526-Q546 HydrophobicContact CG-CB 4.09Å; N527-Q546 PolarHBondContact N-O 2.95Å; G544-Q546 PolarHBondContact O-N 2.95Å; Q546-Q566 WeakPolarHBondContact CA-O 3.47Å; Q546-Q566 HydrophobicContact CG-CB 4.25Å
547N71Confident70Confident0 Ų044.8 Ų44.80%023%0.229CC..EExtended strand (participates in β ladder)trans-129.4127169.6-164.33.7000111N527 E553 Q566 S567 Q568N527-N547 CarbonylContact O-C 3.59Å; N527-N547 WeakPolarHBondContact O-CA 3.44Å; N527-N547 PolarHBondContact O-OD1 3.46Å; N547-E553 PolarHBondContact ND2-O 3.17Å; N547-Q566 PolarHBondContact N-O 2.88Å; N547-S567 CarbonylContact O-C 3.57Å; N547-S567 VanDerWaalsContact O-CA 3.3Å; N547-S567 WeakPolarHBondContact O-CA 3.27Å; N547-Q568 PolarHBondContact O-N 2.93Å
548Q70.6Confident70Confident57 Ų5747.7 Ų47.727%0.26624%0.243SC..EExtended strand (participates in β ladder)trans-130133.7179.3-60.1178.7-2.500110.7N527 Q528 A529 Q568N527-Q548 PolarHBondContact O-N 3.19Å; Q528-Q548 WeakPolarHBondContact CA-O 3.32Å; Q528-Q548 HydrophobicContact CG-CB 4.2Å; A529-Q548 PolarHBondContact N-O 3.01Å; Q548-Q568 WeakPolarHBondContact CA-O 3.27Å; Q548-Q568 HydrophobicContact CG-CB 4.31Å
549G70.6Confident70Confident26 Ų2645.3 Ų45.327%0.26824%0.236SC..EExtended strand (participates in β ladder)trans-179.7-172.6-174.900000117.5A529 Q568 S569A529-G549 WeakPolarHBondContact O-CA 3.33Å; G549-Q568 PolarHBondContact N-O 2.82Å; G549-S569 VanDerWaalsContact O-CA 3.32Å; G549-S569 WeakPolarHBondContact O-CA 3.44Å
550K72.9Confident70.1Confident115 Ų11549.9 Ų49.950%0.525%0.25SC..EExtended strand (participates in β ladder)trans-85.5-41.5168.6-66-171.7179-171.20110.8K530 K570 K571K530-K550 WeakPolarHBondContact O-CB 3.39Å; K530-K550 PolarHBondContact O-N 2.96Å; K530-K550 VanDerWaalsContact O-N 3.15Å; K550-K570 WeakPolarHBondContact O-CB 2.99Å; K550-K570 PolarHBondContact O-N 3.5Å; K550-K571 PolarHBondContact O-N 2.9Å; K550-K571 VanDerWaalsContact O-N 3.08Å
551K70.5Confident70Confident126 Ų12648.1 Ų48.155%0.54824%0.243SC..EExtended strand (participates in β ladder)trans-127.7129.8172.9-67.7-174.3179.2-175.90108.8K530 K531 G532 K571K530-K551 PolarHBondContact O-N 3.49Å; K531-K551 CarbonylContact C-O 3.59Å; K531-K551 VanDerWaalsContact CA-O 3.27Å; K531-K551 WeakPolarHBondContact CA-O 3.39Å; K531-K551 HydrophobicContact CG-CB 4.28Å; G532-K551 PolarHBondContact N-O 3.4Å; K551-K571 VanDerWaalsContact CA-O 3.25Å; K551-K571 WeakPolarHBondContact CA-O 2.93Å
552G63.7Low69.8Low7 Ų743.5 Ų43.57%0.07222%0.222CC..EExtended strand (participates in β ladder)trans-144.9134.9-176.100000113.2G532 K571 G572 E573G532-G552 CarbonylContact O-C 3.58Å; G532-G552 VanDerWaalsContact O-CA 3.22Å; G532-G552 WeakPolarHBondContact O-CA 3.39Å; G552-K571 PolarHBondContact N-O 2.93Å; G552-K571 VanDerWaalsContact N-O 3.16Å; G552-G572 CarbonylContact O-C 3.59Å; G552-G572 WeakPolarHBondContact O-CA 3.31Å; G552-E573 PolarHBondContact O-N 2.91Å
553E67.2Low70.1Confident84 Ų8445.1 Ų45.139%0.39323%0.23SC..PPolyproline II helixtrans-93.3140.4161-71.3169.9-153.200109.2G532 E533 G534 N547G532-E553 PolarHBondContact O-N 3.05Å; E533-E553 HydrophobicContact CG-CB 4.33Å; E533-E553 HydrophobicContact CG-CG 4.47Å; G534-E553 WeakPolarHBondContact CA-O 3.38Å; G534-E553 PolarHBondContact N-O 2.79Å; N547-E553 PolarHBondContact ND2-O 3.17Å
554G65.5Low69.9Low14 Ų1442.2 Ų42.214%0.14422%0.223CC..PPolyproline II helixtrans-70.9166.9-156.100000117G534 E573 G574G534-G554 WeakPolarHBondContact CA-O 3.48Å; G554-E573 WeakPolarHBondContact CA-O 3.32Å; G554-E573 PolarHBondContact N-O 2.98Å; G554-G574 VanDerWaalsContact CA-O 3.31Å; G554-G574 WeakPolarHBondContact CA-O 3.41Å
555A72.7Confident70Confident0 Ų040.8 Ų40.80%021%0.207CC..PPolyproline II helixtrans-86.7149.5175.600000110.8A535 A545 V565 T575 Q576A535-A555 HydrophobicContact CB-CB 4.48Å; A535-A555 CarbonylContact O-C 3.57Å; A535-A555 WeakPolarHBondContact O-CA 3.4Å; A545-A555 HydrophobicContact CB-CB 3.97Å; A545-A555 WeakPolarHBondContact O-CB 3.44Å; A555-V565 VanDerWaalsContact C-CG1 3.48Å; A555-V565 HydrophobicContact CB-CG1 3.66Å; A555-V565 WeakPolarHBondContact O-CG1 3.35Å; A555-T575 WeakPolarHBondContact O-CA 3.34Å; A555-Q576 PolarHBondContact O-N 3.07Å
556Q74Confident70Confident49 Ų4944.2 Ų44.223%0.22922%0.224CC..EExtended strand (participates in β ladder)trans-132.8139.2179-53.4-175.1-49.700112.1A535 Q536 N537 Q576A535-Q556 PolarHBondContact O-N 3.11Å; Q536-Q556 WeakPolarHBondContact CA-O 3.19Å; Q536-Q556 HydrophobicContact CG-CB 4.29Å; N537-Q556 PolarHBondContact N-O 3.08Å; Q556-Q576 CarbonylContact C-O 3.6Å; Q556-Q576 VanDerWaalsContact CA-O 3.27Å; Q556-Q576 WeakPolarHBondContact CA-O 3.31Å; Q556-Q576 HydrophobicContact CB-CB 4.46Å; Q556-Q576 HydrophobicContact CG-CB 4.01Å
557N72.9Confident69.9Low0 Ų042 Ų420%021%0.213CC..EExtended strand (participates in β ladder)trans-132.2127.1171.8-167.92.9000109.9N537 G542 A562 E563 V565 Q576 N577 Q578N537-N557 CarbonylContact O-C 3.6Å; N537-N557 VanDerWaalsContact O-CA 3.31Å; N537-N557 WeakPolarHBondContact O-CA 2.89Å; N537-N557 PolarHBondContact O-OD1 3.32Å; G542-N557 PolarHBondContact O-ND2 2.9Å; N557-A562 HydrophobicContact CB-CB 4.39Å; N557-E563 PolarHBondContact ND2-N 3.22Å; N557-E563 PolarHBondContact ND2-O 2.99Å; N557-E563 VanDerWaalsContact ND2-O 3.1Å; N557-V565 HydrophobicContact CB-CG2 3.33Å; N557-Q576 PolarHBondContact N-O 2.92Å; N557-N577 WeakPolarHBondContact O-CA 3.37Å; N557-N577 PolarHBondContact O-OD1 3.5Å; N557-Q578 PolarHBondContact O-N 2.9Å
558Q72.2Confident70Confident62 Ų6246 Ų4629%0.2923%0.232SC..EExtended strand (participates in β ladder)trans-128.1127-179.3-59.8-174.411.300110.7N537 Q538 G539 Q578N537-Q558 PolarHBondContact O-N 2.94Å; Q538-Q558 CarbonylContact C-O 3.42Å; Q538-Q558 WeakPolarHBondContact CA-O 2.89Å; Q538-Q558 HydrophobicContact CG-CB 4.34Å; G539-Q558 PolarHBondContact N-O 3.21Å; Q558-Q578 CarbonylContact C-O 3.54Å; Q558-Q578 WeakPolarHBondContact CA-O 3.31Å; Q558-Q578 HydrophobicContact CG-CB 4.25Å
559G71.3Confident69.8Low16 Ų1643.7 Ų43.717%0.16522%0.222CC..EExtended strand (participates in β ladder)trans176.8177178.400000117.1G539 K561 Q578 G579G539-G559 WeakPolarHBondContact O-CA 3.32Å; G559-K561 VanDerWaalsContact C-N 3.3Å; G559-K561 PolarHBondContact O-N 3.04Å; G559-Q578 PolarHBondContact N-O 2.87Å; G559-G579 WeakPolarHBondContact O-CA 3.43Å
560K72.7Confident69.7Low117 Ų11748.3 Ų48.351%0.50924%0.235SC..EExtended strand (participates in β ladder)trans-64.5-39.4175.9-65.2-173.2179.3-172.20111.2K540 K580 K581K540-K560 WeakPolarHBondContact O-CB 3.23Å; K540-K560 PolarHBondContact O-N 3.39Å; K540-K560 VanDerWaalsContact O-N 3.15Å; K560-K580 WeakPolarHBondContact O-CB 3.4Å; K560-K580 PolarHBondContact O-N 2.95Å; K560-K580 VanDerWaalsContact O-N 3.08Å; K560-K581 PolarHBondContact O-N 2.7Å; K560-K581 VanDerWaalsContact O-N 3.15Å
561K70.6Confident69.4Low73 Ų7348.7 Ų48.732%0.31724%0.236SC..EExtended strand (participates in β ladder)trans-123.2121.4167.9-167.2-173-167.3-112.90107K540 K541 G542 G559 E563 K581K540-K561 PolarHBondContact O-N 3.14Å; K540-K561 VanDerWaalsContact O-N 3.08Å; K541-K561 VanDerWaalsContact CA-O 3.3Å; K541-K561 WeakPolarHBondContact CA-O 3.23Å; K541-K561 HydrophobicContact CG-CB 4.28Å; G542-K561 PolarHBondContact N-O 3.48Å; G559-K561 VanDerWaalsContact C-N 3.3Å; G559-K561 PolarHBondContact O-N 3.04Å; K561-E563 WeakPolarHBondContact CE-OE1 3.36Å; K561-E563 IonicContact NZ-OE1 2.59Å; K561-E563 PolarHBondContact NZ-OE1 2.88Å; K561-E563 IonicContact NZ-OE2 2.8Å; K561-E563 PolarHBondContact NZ-OE2 3.19Å; K561-K581 WeakPolarHBondContact CA-O 3.28Å
562A67.6Low69.1Low0 Ų043.1 Ų43.10%022%0.215CC..EExtended strand (participates in β ladder)trans-136.4117.3-177.100000109.8G542 N557 N577 K581 G582 D583G542-A562 WeakPolarHBondContact O-CA 3.39Å; N557-A562 HydrophobicContact CB-CB 4.39Å; A562-N577 WeakPolarHBondContact CB-OD1 3.39Å; A562-N577 PolarHBondContact O-ND2 2.91Å; A562-N577 PolarHBondContact O-OD1 2.91Å; A562-K581 PolarHBondContact N-O 3.25Å; A562-G582 CarbonylContact O-C 3.57Å; A562-G582 WeakPolarHBondContact O-CA 3.48Å; A562-D583 PolarHBondContact O-N 3.05Å
563E68.3Low69.2Low37 Ų3747.8 Ų47.817%0.17323%0.234CC..EExtended strand (participates in β ladder)trans-127.5151.1-172.3-68.2170.6179.800111.6G542 E543 G544 N557 K561 D583G542-E563 PolarHBondContact O-N 3.36Å; E543-E563 CarbonylContact C-O 3.58Å; E543-E563 WeakPolarHBondContact CA-O 3.43Å; E543-E563 HydrophobicContact CG-CB 4.32Å; G544-E563 PolarHBondContact N-O 2.86Å; N557-E563 PolarHBondContact ND2-N 3.22Å; N557-E563 PolarHBondContact ND2-O 2.99Å; N557-E563 VanDerWaalsContact ND2-O 3.1Å; K561-E563 WeakPolarHBondContact CE-OE1 3.36Å; K561-E563 IonicContact NZ-OE1 2.59Å; K561-E563 PolarHBondContact NZ-OE1 2.88Å; K561-E563 IonicContact NZ-OE2 2.8Å; K561-E563 PolarHBondContact NZ-OE2 3.19Å; E563-D583 WeakPolarHBondContact CA-O 3.37Å; E563-D583 HydrophobicContact CG-CB 4.17Å
564G64.4Low69Low25 Ų2545.1 Ų45.126%0.25823%0.23SC..  trans69.757.6162.800000115.8G544 A545 D583 G584G544-G564 CarbonylContact C-O 3.52Å; G544-G564 WeakPolarHBondContact CA-O 3.28Å; G544-G564 PolarHBondContact N-O 3.12Å; A545-G564 PolarHBondContact N-O 2.95Å; G564-D583 PolarHBondContact N-O 3.11Å; G564-G584 WeakPolarHBondContact CA-O 3.38Å; G564-G584 PolarHBondContact N-O 3.02Å
565V68.9Low69.3Low0 Ų044.5 Ų44.50%022%0.223CC..  trans-95.8120.7172.5-172.20000109.1A545 A555 N557 T575 N577 G584 N585 P586A545-V565 WeakPolarHBondContact O-CA 3.29Å; A555-V565 VanDerWaalsContact C-CG1 3.48Å; A555-V565 HydrophobicContact CB-CG1 3.66Å; A555-V565 WeakPolarHBondContact O-CG1 3.35Å; N557-V565 HydrophobicContact CB-CG2 3.33Å; V565-T575 HydrophobicContact CG1-CG2 4Å; V565-N577 HydrophobicContact CG2-CB 4.11Å; V565-G584 PolarHBondContact N-O 3.14Å; V565-G584 VanDerWaalsContact N-O 3.1Å; V565-N585 CarbonylContact O-C 3.54Å; V565-N585 WeakPolarHBondContact O-CA 3.39Å; V565-N585 PolarHBondContact O-OD1 3.1Å; V565-P586 VanDerWaalsContact O-CD 3.29Å; V565-P586 WeakPolarHBondContact O-CD 3.47Å
566Q70.5Confident69.2Low73 Ų7346.8 Ų46.834%0.34123%0.234SC..EExtended strand (participates in β ladder)trans-133.2139.3-176-49.3-172.3-38.500112.7A545 Q546 N547 P586A545-Q566 PolarHBondContact O-N 3.28Å; Q546-Q566 WeakPolarHBondContact CA-O 3.47Å; Q546-Q566 HydrophobicContact CG-CB 4.25Å; N547-Q566 PolarHBondContact N-O 2.88Å; Q566-P586 WeakPolarHBondContact CA-O 3.37Å; Q566-P586 HydrophobicContact CB-CG 4.41Å; Q566-P586 HydrophobicContact CG-CG 3.79Å
567S70.7Confident69.1Low1 Ų144.5 Ų44.51%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-130.6128.8168.4-172.70000110N547 T575 P586 N587 Q588N547-S567 CarbonylContact O-C 3.57Å; N547-S567 VanDerWaalsContact O-CA 3.3Å; N547-S567 WeakPolarHBondContact O-CA 3.27Å; S567-T575 VanDerWaalsContact CB-CG2 3.4Å; S567-P586 PolarHBondContact N-O 2.92Å; S567-N587 WeakPolarHBondContact O-CA 3.34Å; S567-N587 PolarHBondContact O-OD1 3.29Å; S567-Q588 PolarHBondContact O-N 2.82Å
568Q71.5Confident69Low85 Ų8546.6 Ų46.640%0.39723%0.233SC..EExtended strand (participates in β ladder)trans-123.4103.6172.7-66.6-172.3-3600109.4N547 Q548 G549 Q588N547-Q568 PolarHBondContact O-N 2.93Å; Q548-Q568 WeakPolarHBondContact CA-O 3.27Å; Q548-Q568 HydrophobicContact CG-CB 4.31Å; G549-Q568 PolarHBondContact N-O 2.82Å; Q568-Q588 CarbonylContact C-O 3.52Å; Q568-Q588 WeakPolarHBondContact CA-O 2.98Å; Q568-Q588 HydrophobicContact CG-CB 4.21Å
569S67.2Low68.9Low7 Ų744.8 Ų44.85%0.04923%0.231CC..EExtended strand (participates in β ladder)trans-143.6146.8-177.2-76.10000113.4G549 K571 Q588 G589G549-S569 VanDerWaalsContact O-CA 3.32Å; G549-S569 WeakPolarHBondContact O-CA 3.44Å; S569-K571 VanDerWaalsContact C-N 3.31Å; S569-K571 PolarHBondContact O-N 2.9Å; S569-Q588 PolarHBondContact N-O 3.39Å; S569-G589 WeakPolarHBondContact O-CA 3.29Å
570K68.6Low68.8Low124 Ų12448.5 Ų48.554%0.53924%0.242SC..EExtended strand (participates in β ladder)trans-62.9-39.8174-68.5-174179.6-174.80111.8K550 K590 K591K550-K570 WeakPolarHBondContact O-CB 2.99Å; K550-K570 PolarHBondContact O-N 3.5Å; K570-K590 WeakPolarHBondContact O-CB 3.26Å; K570-K590 PolarHBondContact O-N 2.87Å; K570-K591 PolarHBondContact O-N 2.91Å
571K67.1Low68.6Low123 Ų12348.8 Ų48.854%0.53524%0.244SC..EExtended strand (participates in β ladder)trans-131.3122.6168.8-172.4-176.9-179.2-170.10108.3K550 K551 G552 S569 K591K550-K571 PolarHBondContact O-N 2.9Å; K550-K571 VanDerWaalsContact O-N 3.08Å; K551-K571 VanDerWaalsContact CA-O 3.25Å; K551-K571 WeakPolarHBondContact CA-O 2.93Å; G552-K571 PolarHBondContact N-O 2.93Å; G552-K571 VanDerWaalsContact N-O 3.16Å; S569-K571 VanDerWaalsContact C-N 3.31Å; S569-K571 PolarHBondContact O-N 2.9Å; K571-K591 VanDerWaalsContact CA-O 3.25Å; K571-K591 WeakPolarHBondContact CA-O 3.34Å
572G62.9Low68.3Low9 Ų945.3 Ų45.39%0.09323%0.228CC..EExtended strand (participates in β ladder)trans-155.915817700000115.6G552 K591 G592 E593G552-G572 CarbonylContact O-C 3.59Å; G552-G572 WeakPolarHBondContact O-CA 3.31Å; G572-K591 PolarHBondContact N-O 3.04Å; G572-K591 VanDerWaalsContact N-O 3.12Å; G572-G592 WeakPolarHBondContact O-CA 3.43Å; G572-E593 PolarHBondContact O-N 2.9Å; G572-E593 VanDerWaalsContact O-N 3.08Å
573E65.6Low68.2Low104 Ų10447.9 Ų47.949%0.48624%0.242SC..EExtended strand (participates in β ladder)trans-102.1155.4175.5-69.9176.3-160.900110.6G552 G554 E593G552-E573 PolarHBondContact O-N 2.91Å; G554-E573 WeakPolarHBondContact CA-O 3.32Å; G554-E573 PolarHBondContact N-O 2.98Å; E573-E593 CarbonylContact C-O 3.34Å
574G63.8Low67.8Low28 Ų2847.2 Ų47.229%0.28925%0.245SC..EExtended strand (participates in β ladder)trans-73.7161.7-147.100000118.9G554 E593 G594G554-G574 VanDerWaalsContact CA-O 3.31Å; G554-G574 WeakPolarHBondContact CA-O 3.41Å; G574-E593 WeakPolarHBondContact CA-O 3.37Å; G574-E593 PolarHBondContact N-O 2.86Å; G574-G594 WeakPolarHBondContact CA-O 3.33Å
575T71.8Confident67.9Low1 Ų146 Ų461%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-92.6140.617748.30000111.9A555 V565 S567 N585 G594 A595 S596A555-T575 WeakPolarHBondContact O-CA 3.34Å; V565-T575 HydrophobicContact CG1-CG2 4Å; S567-T575 VanDerWaalsContact CB-CG2 3.4Å; T575-N585 WeakPolarHBondContact CB-OD1 3.36Å; T575-N585 PolarHBondContact O-ND2 3.36Å; T575-N585 PolarHBondContact OG1-OD1 2.93Å; T575-G594 PolarHBondContact N-O 2.83Å; T575-A595 WeakPolarHBondContact O-CA 3.29Å; T575-S596 PolarHBondContact O-N 2.83Å
576Q71.4Confident67.8Low49 Ų4947.2 Ų47.223%0.22924%0.241CC..EExtended strand (participates in β ladder)trans-127.1128.7-175.7-170.4175.4-24.500112.4A555 Q556 N557 Q578 S596A555-Q576 PolarHBondContact O-N 3.07Å; Q556-Q576 CarbonylContact C-O 3.6Å; Q556-Q576 VanDerWaalsContact CA-O 3.27Å; Q556-Q576 WeakPolarHBondContact CA-O 3.31Å; Q556-Q576 HydrophobicContact CB-CB 4.46Å; Q556-Q576 HydrophobicContact CG-CB 4.01Å; N557-Q576 PolarHBondContact N-O 2.92Å; Q576-Q578 HydrophobicContact CG-CG 4.09Å; Q576-S596 WeakPolarHBondContact CA-O 3.41Å
577N71.2Confident67.6Low0 Ų043.8 Ų43.80%023%0.225CC..EExtended strand (participates in β ladder)trans-123.6128.6173.8-164.69.6000109.7N557 A562 V565 N585 S596 N597 Q598N557-N577 WeakPolarHBondContact O-CA 3.37Å; N557-N577 PolarHBondContact O-OD1 3.5Å; A562-N577 WeakPolarHBondContact CB-OD1 3.39Å; A562-N577 PolarHBondContact O-ND2 2.91Å; A562-N577 PolarHBondContact O-OD1 2.91Å; V565-N577 HydrophobicContact CG2-CB 4.11Å; N577-N585 HydrophobicContact CB-CB 4.45Å; N577-S596 PolarHBondContact N-O 2.82Å; N577-N597 WeakPolarHBondContact O-CA 3.35Å; N577-N597 PolarHBondContact O-OD1 2.85Å; N577-N597 VanDerWaalsContact O-OD1 3.08Å; N577-Q598 PolarHBondContact O-N 2.91Å
578Q71Confident67.5Low45 Ų4546.9 Ų46.921%0.2124%0.239CC..EExtended strand (participates in β ladder)trans-138140.5-178.9-59.8-166.5-20.700113N557 Q558 G559 Q576 Q598 N599N557-Q578 PolarHBondContact O-N 2.9Å; Q558-Q578 CarbonylContact C-O 3.54Å; Q558-Q578 WeakPolarHBondContact CA-O 3.31Å; Q558-Q578 HydrophobicContact CG-CB 4.25Å; G559-Q578 PolarHBondContact N-O 2.87Å; Q576-Q578 HydrophobicContact CG-CG 4.09Å; Q578-Q598 HydrophobicContact CG-CB 4.13Å; Q578-Q598 VanDerWaalsContact NE2-OE1 3.08Å; Q578-N599 WeakPolarHBondContact CA-OD1 3.4Å
579G70.7Confident67.2Low24 Ų2443.7 Ų43.725%0.24723%0.229CC..EExtended strand (participates in β ladder)trans162.8-166.6-17100000118.3G559 Q598 N599G559-G579 WeakPolarHBondContact O-CA 3.43Å; G579-Q598 PolarHBondContact N-O 3.46Å; G579-N599 VanDerWaalsContact CA-OD1 3.26Å; G579-N599 WeakPolarHBondContact CA-OD1 3.38Å; G579-N599 PolarHBondContact N-OD1 2.86Å; G579-N599 VanDerWaalsContact O-CA 3.31Å; G579-N599 WeakPolarHBondContact O-CA 3.34Å
580K68.5Low67.1Low93 Ų9349.6 Ų49.640%0.40425%0.254SS..EExtended strand (participates in β ladder)trans-90.2-39.2173.8-63.2-173.1176.3-171.50111.6K560 R600 K601K560-K580 WeakPolarHBondContact O-CB 3.4Å; K560-K580 PolarHBondContact O-N 2.95Å; K560-K580 VanDerWaalsContact O-N 3.08Å; K580-R600 VanDerWaalsContact O-CB 3.27Å; K580-R600 WeakPolarHBondContact O-CB 3.39Å; K580-R600 PolarHBondContact O-N 2.84Å; K580-R600 VanDerWaalsContact O-N 3.12Å; K580-K601 PolarHBondContact O-N 3.36Å
581K68.3Low66.8Low123 Ų12349.3 Ų49.354%0.53525%0.252SS..EExtended strand (participates in β ladder)trans-135.8146.6174.4-66.3-172.5178.7-171.40108.4K560 K561 A562 K601K560-K581 PolarHBondContact O-N 2.7Å; K560-K581 VanDerWaalsContact O-N 3.15Å; K561-K581 WeakPolarHBondContact CA-O 3.28Å; A562-K581 PolarHBondContact N-O 3.25Å; K581-K601 WeakPolarHBondContact CA-O 3.38Å
582G64.7Low66.6Low0 Ų043.7 Ų43.70%023%0.229CC..EExtended strand (participates in β ladder)trans-179.3147.417100000114.3A562 N599 K601 T602A562-G582 CarbonylContact O-C 3.57Å; A562-G582 WeakPolarHBondContact O-CA 3.48Å; G582-N599 WeakPolarHBondContact CA-ND2 3.42Å; G582-N599 PolarHBondContact N-ND2 3.19Å; G582-N599 VanDerWaalsContact N-ND2 3.19Å; G582-N599 PolarHBondContact O-ND2 3.21Å; G582-K601 PolarHBondContact N-O 3.16Å; G582-T602 VanDerWaalsContact O-CA 3.29Å; G582-T602 WeakPolarHBondContact O-CA 3.38Å
583D64.6Low66.5Low54 Ų5447.6 Ų47.629%0.28925%0.245SC..EExtended strand (participates in β ladder)trans-124146.9-167.3-52.3-31.1000110.4A562 E563 G564 D603A562-D583 PolarHBondContact O-N 3.05Å; E563-D583 WeakPolarHBondContact CA-O 3.37Å; E563-D583 HydrophobicContact CG-CB 4.17Å; G564-D583 PolarHBondContact N-O 3.11Å; D583-D603 WeakPolarHBondContact CA-O 3.28Å; D583-D603 HydrophobicContact CB-CB 4.41Å; D583-D603 PolarHBondContact OD1-N 2.88Å
584G61.5Low66.3Low23 Ų2343.9 Ų43.924%0.23724%0.235CC..  trans64.896.2168.100000115.1G564 V565 D603 T604G564-G584 WeakPolarHBondContact CA-O 3.38Å; G564-G584 PolarHBondContact N-O 3.02Å; V565-G584 PolarHBondContact N-O 3.14Å; V565-G584 VanDerWaalsContact N-O 3.1Å; G584-D603 PolarHBondContact N-O 3.15Å; G584-T604 WeakPolarHBondContact CA-O 3.27Å; G584-T604 PolarHBondContact N-O 2.83Å
585N66.3Low66.5Low0 Ų042.6 Ų42.60%022%0.222CC..  trans-124.363.2170.7-168.78.4000113.1V565 T575 N577 S596 V605V565-N585 CarbonylContact O-C 3.54Å; V565-N585 WeakPolarHBondContact O-CA 3.39Å; V565-N585 PolarHBondContact O-OD1 3.1Å; T575-N585 WeakPolarHBondContact CB-OD1 3.36Å; T575-N585 PolarHBondContact O-ND2 3.36Å; T575-N585 PolarHBondContact OG1-OD1 2.93Å; N577-N585 HydrophobicContact CB-CB 4.45Å; N585-S596 PolarHBondContact ND2-O 3.44Å; N585-V605 HydrophobicContact CB-CG1 4.25Å; N585-V605 HydrophobicContact CB-CG2 4.42Å
586P66.5Low66.3Low25 Ų2544 Ų4416%0.16223%0.231CC..  trans-82.1133.7-17730.4-34.6000114.8V565 Q566 S567 A606V565-P586 VanDerWaalsContact O-CD 3.29Å; V565-P586 WeakPolarHBondContact O-CD 3.47Å; Q566-P586 WeakPolarHBondContact CA-O 3.37Å; Q566-P586 HydrophobicContact CB-CG 4.41Å; Q566-P586 HydrophobicContact CG-CG 3.79Å; S567-P586 PolarHBondContact N-O 2.92Å; P586-A606 WeakPolarHBondContact CA-O 3.33Å
587N66.8Low66Low2 Ų241.6 Ų41.61%0.01122%0.22CC..EExtended strand (participates in β ladder)trans-117.7119.6169.5-170.37.4000109.8S567 G594 A606 N607 Q608S567-N587 WeakPolarHBondContact O-CA 3.34Å; S567-N587 PolarHBondContact O-OD1 3.29Å; N587-G594 PolarHBondContact ND2-O 3.32Å; N587-A606 PolarHBondContact N-O 2.9Å; N587-A606 VanDerWaalsContact N-O 3.15Å; N587-N607 VanDerWaalsContact CB-OD1 3.29Å; N587-N607 WeakPolarHBondContact CB-OD1 3.08Å; N587-N607 PolarHBondContact N-OD1 2.9Å; N587-N607 WeakPolarHBondContact O-CA 2.92Å; N587-Q608 PolarHBondContact O-N 2.9Å; N587-Q608 VanDerWaalsContact O-N 3.1Å
588Q67.5Low65.9Low66 Ų6645.3 Ų45.331%0.30824%0.237SC..EExtended strand (participates in β ladder)trans-120.1133.7-177.6-55.9-178.6-10.300111.7S567 Q568 S569 Q608S567-Q588 PolarHBondContact O-N 2.82Å; Q568-Q588 CarbonylContact C-O 3.52Å; Q568-Q588 WeakPolarHBondContact CA-O 2.98Å; Q568-Q588 HydrophobicContact CG-CB 4.21Å; S569-Q588 PolarHBondContact N-O 3.39Å; Q588-Q608 VanDerWaalsContact CA-O 3.31Å; Q588-Q608 WeakPolarHBondContact CA-O 3.36Å; Q588-Q608 HydrophobicContact CG-CB 4.27Å
589G65.7Low65.8Low17 Ų1743.4 Ų43.418%0.17523%0.229CC..EExtended strand (participates in β ladder)trans178.5168.1-176.600000116.7S569 Q608 G609 T610 Q612S569-G589 WeakPolarHBondContact O-CA 3.29Å; G589-Q608 PolarHBondContact N-O 2.87Å; G589-G609 CarbonylContact O-C 3.58Å; G589-G609 WeakPolarHBondContact O-CA 3.41Å; G589-T610 PolarHBondContact O-N 3.48Å; G589-Q612 PolarHBondContact O-NE2 2.86Å
590K64.2Low65.5Low131 Ų13148.4 Ų48.457%0.5724%0.24SC*.EExtended strand (participates in β ladder)trans-71.8-39.8173.9-70.6-168.6177-167.50111.5K570 T610 K611K570-K590 WeakPolarHBondContact O-CB 3.26Å; K570-K590 PolarHBondContact O-N 2.87Å; K590-T610 VanDerWaalsContact O-CB 3.3Å; K590-T610 WeakPolarHBondContact O-CB 3.4Å; K590-T610 PolarHBondContact O-N 2.81Å; K590-K611 PolarHBondContact O-N 2.96Å
591K63.1Low65.2Low118 Ų11849.6 Ų49.651%0.51325%0.245SC..EExtended strand (participates in β ladder)trans-133.5114.7172.7-66.5-172.7179.8-174.40108.6K570 K571 G572 K611K570-K591 PolarHBondContact O-N 2.91Å; K571-K591 VanDerWaalsContact CA-O 3.25Å; K571-K591 WeakPolarHBondContact CA-O 3.34Å; G572-K591 PolarHBondContact N-O 3.04Å; G572-K591 VanDerWaalsContact N-O 3.12Å; K591-K611 WeakPolarHBondContact CA-O 3.27Å; K591-K611 HydrophobicContact CG-CB 4.37Å
592G61.9Low64.9Low5 Ų543.8 Ų43.85%0.05222%0.22CC..EExtended strand (participates in β ladder)trans-130.8141.9177.600000111.2G572 K611 Q612 E613G572-G592 WeakPolarHBondContact O-CA 3.43Å; G592-K611 PolarHBondContact N-O 3.5Å; G592-K611 VanDerWaalsContact N-O 3.1Å; G592-Q612 WeakPolarHBondContact O-CA 3.28Å; G592-Q612 PolarHBondContact O-OE1 2.9Å; G592-E613 PolarHBondContact O-N 3.32Å
593E62.3Low64.7Low92 Ų9247 Ų4743%0.4324%0.238SC..EExtended strand (participates in β ladder)trans-114.6126.1170.5-74.5167-146.800108.3G572 E573 G574 E613G572-E593 PolarHBondContact O-N 2.9Å; G572-E593 VanDerWaalsContact O-N 3.08Å; E573-E593 CarbonylContact C-O 3.34Å; G574-E593 WeakPolarHBondContact CA-O 3.37Å; G574-E593 PolarHBondContact N-O 2.86Å; E593-E613 HydrophobicContact CG-CB 4.2Å
594G61.5Low64.4Low26 Ų2648.1 Ų48.127%0.26825%0.246SC..EExtended strand (participates in β ladder)trans81.2126.9165.200000116.4G574 T575 N587 E613 G614G574-G594 WeakPolarHBondContact CA-O 3.33Å; T575-G594 PolarHBondContact N-O 2.83Å; N587-G594 PolarHBondContact ND2-O 3.32Å; G594-E613 PolarHBondContact N-O 2.89Å; G594-G614 CarbonylContact C-O 3.6Å; G594-G614 WeakPolarHBondContact CA-O 3.27Å
595A66.6Low64.3Low1 Ų147 Ų471%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-131.2123.1143.200000107.3T575 V605 N607 G614 V615 S616T575-A595 WeakPolarHBondContact O-CA 3.29Å; A595-V605 HydrophobicContact CB-CG1 3.96Å; A595-N607 VanDerWaalsContact CB-OD1 3.29Å; A595-N607 WeakPolarHBondContact CB-OD1 3.35Å; A595-G614 PolarHBondContact N-O 3.47Å; A595-G614 VanDerWaalsContact N-O 3.11Å; A595-V615 HydrophobicContact CB-CG2 4.5Å; A595-V615 CarbonylContact O-C 3.55Å; A595-V615 WeakPolarHBondContact O-CA 2.93Å; A595-S616 PolarHBondContact O-N 2.84Å
596S67.6Low64.1Low29 Ų2947.6 Ų47.620%0.20324%0.24CC..EExtended strand (participates in β ladder)trans-115.8130.3-175.9-174.10000110.9T575 Q576 N577 N585 S616T575-S596 PolarHBondContact O-N 2.83Å; Q576-S596 WeakPolarHBondContact CA-O 3.41Å; N577-S596 PolarHBondContact N-O 2.82Å; N585-S596 PolarHBondContact ND2-O 3.44Å; S596-S616 WeakPolarHBondContact CA-O 3.38Å
597N65.7Low63.9Low0 Ų046.4 Ų46.40%023%0.232CC..EExtended strand (participates in β ladder)trans-130.6112.8175.5-155-17.4000111.4N577 N599 T602 V605 S616 N617 Q618N577-N597 WeakPolarHBondContact O-CA 3.35Å; N577-N597 PolarHBondContact O-OD1 2.85Å; N577-N597 VanDerWaalsContact O-OD1 3.08Å; N597-N599 PolarHBondContact OD1-ND2 3.16Å; N597-N599 PolarHBondContact OD1-OD1 3.39Å; N597-T602 WeakPolarHBondContact ND2-CG2 2.91Å; N597-T602 PolarHBondContact ND2-OG1 3.03Å; N597-V605 HydrophobicContact CB-CG2 4.04Å; N597-S616 PolarHBondContact N-O 3.39Å; N597-N617 VanDerWaalsContact CB-OD1 3.23Å; N597-N617 WeakPolarHBondContact CB-OD1 3.34Å; N597-N617 WeakPolarHBondContact O-CA 3.38Å; N597-Q618 PolarHBondContact O-N 2.88Å; N597-Q618 VanDerWaalsContact O-N 3.16Å
598Q70.1Confident63.7Low77 Ų7750.4 Ų50.436%0.3625%0.251SS..EExtended strand (participates in β ladder)trans-110.369177.2-64.7-176-7.400110.2N577 Q578 G579 Q618N577-Q598 PolarHBondContact O-N 2.91Å; Q578-Q598 HydrophobicContact CG-CB 4.13Å; Q578-Q598 VanDerWaalsContact NE2-OE1 3.08Å; G579-Q598 PolarHBondContact N-O 3.46Å; Q598-Q618 HydrophobicContact CG-CB 4.35Å
599N67.5Low63.4Low6 Ų648.2 Ų48.23%0.03225%0.246CC..  trans-112.8162.6179.3-71.8-13.9000111.6Q578 G579 G582 N597 T602 V619Q578-N599 WeakPolarHBondContact CA-OD1 3.4Å; G579-N599 VanDerWaalsContact CA-OD1 3.26Å; G579-N599 WeakPolarHBondContact CA-OD1 3.38Å; G579-N599 PolarHBondContact N-OD1 2.86Å; G579-N599 VanDerWaalsContact O-CA 3.31Å; G579-N599 WeakPolarHBondContact O-CA 3.34Å; G582-N599 WeakPolarHBondContact CA-ND2 3.42Å; G582-N599 PolarHBondContact N-ND2 3.19Å; G582-N599 VanDerWaalsContact N-ND2 3.19Å; G582-N599 PolarHBondContact O-ND2 3.21Å; N597-N599 PolarHBondContact OD1-ND2 3.16Å; N597-N599 PolarHBondContact OD1-OD1 3.39Å; N599-T602 VanDerWaalsContact CB-OG1 3.28Å; N599-T602 WeakPolarHBondContact CB-OG1 3.27Å; N599-V619 HydrophobicContact CB-CG1 4.34Å; N599-V619 VanDerWaalsContact O-CA 3.26Å; N599-V619 WeakPolarHBondContact O-CA 3.41Å; N599-V619 WeakPolarHBondContact O-CG1 3.4Å
600R64.3Low63.3Low128 Ų12850 Ų5048%0.48325%0.254SS..SBendtrans-79-32.4171.5-58.6175.3-174166.1-2.3112K580 K620 K621K580-R600 VanDerWaalsContact O-CB 3.27Å; K580-R600 WeakPolarHBondContact O-CB 3.39Å; K580-R600 PolarHBondContact O-N 2.84Å; K580-R600 VanDerWaalsContact O-N 3.12Å; R600-K620 WeakPolarHBondContact O-CB 3.44Å; R600-K620 PolarHBondContact O-N 2.93Å; R600-K621 PolarHBondContact O-N 2.8Å
601K63.8Low63.2Low118 Ų11849.2 Ų49.251%0.51325%0.25SC..EExtended strand (participates in β ladder)trans-136.2133.6175.2-63.1-173.6177.7-1690108.2K580 K581 G582K580-K601 PolarHBondContact O-N 3.36Å; K581-K601 WeakPolarHBondContact CA-O 3.38Å; G582-K601 PolarHBondContact N-O 3.16Å
602T62Low63.1Low2 Ų243.7 Ų43.71%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-141.2133.3-178.2-62.90000111.2G582 N597 N599 V605 V619 K621 S622 E623G582-T602 VanDerWaalsContact O-CA 3.29Å; G582-T602 WeakPolarHBondContact O-CA 3.38Å; N597-T602 WeakPolarHBondContact ND2-CG2 2.91Å; N597-T602 PolarHBondContact ND2-OG1 3.03Å; N599-T602 VanDerWaalsContact CB-OG1 3.28Å; N599-T602 WeakPolarHBondContact CB-OG1 3.27Å; T602-V605 HydrophobicContact CG2-CG2 3.83Å; T602-V619 VanDerWaalsContact OG1-CG1 3.29Å; T602-V619 WeakPolarHBondContact OG1-CG1 3.31Å; T602-K621 PolarHBondContact N-O 3.26Å; T602-S622 WeakPolarHBondContact O-CA 3.39Å; T602-E623 PolarHBondContact O-N 2.96Å
603D60.3Low63.1Low68 Ų6848.1 Ų48.136%0.36425%0.245SC..EExtended strand (participates in β ladder)trans-106.5121.9168.7-55.3-19.2000109D583 G584D583-D603 WeakPolarHBondContact CA-O 3.28Å; D583-D603 HydrophobicContact CB-CB 4.41Å; D583-D603 PolarHBondContact OD1-N 2.88Å; G584-D603 PolarHBondContact N-O 3.15Å
604T57.7Low62.8Low77 Ų7744.4 Ų44.447%0.47223%0.232SC..  trans57.7116.5171.8-52.20000117.6G584 E623 G624G584-T604 WeakPolarHBondContact CA-O 3.27Å; G584-T604 PolarHBondContact N-O 2.83Å; T604-E623 PolarHBondContact N-O 2.89Å; T604-E623 VanDerWaalsContact N-O 3.07Å; T604-G624 WeakPolarHBondContact CA-O 3.36Å
605V60Low62.7Low0 Ų043.6 Ų43.60%022%0.221CC..  trans-126.4119.3165.5-176.70000108.8N585 A595 N597 T602 V615 G624 S625 P626N585-V605 HydrophobicContact CB-CG1 4.25Å; N585-V605 HydrophobicContact CB-CG2 4.42Å; A595-V605 HydrophobicContact CB-CG1 3.96Å; N597-V605 HydrophobicContact CB-CG2 4.04Å; T602-V605 HydrophobicContact CG2-CG2 3.83Å; V605-V615 HydrophobicContact CB-CG1 4.08Å; V605-V615 HydrophobicContact CG1-CG1 3.41Å; V605-V615 VanDerWaalsContact CG1-CG1 3.41Å; V605-G624 PolarHBondContact N-O 3.36Å; V605-S625 CarbonylContact O-C 3.58Å; V605-S625 WeakPolarHBondContact O-CA 3.17Å; V605-P626 WeakPolarHBondContact O-CD 3.43Å
606A62.1Low62.4Low12 Ų1245.2 Ų45.210%0.09923%0.233CC..  trans-130122.8-171.100000112.8P586 N587 P626P586-A606 WeakPolarHBondContact CA-O 3.33Å; N587-A606 PolarHBondContact N-O 2.9Å; N587-A606 VanDerWaalsContact N-O 3.15Å; A606-P626 WeakPolarHBondContact CA-O 3.29Å; A606-P626 HydrophobicContact CB-CG 4.04Å
607N61.6Low61.9Low0 Ų043.8 Ų43.80%022%0.223CC..EExtended strand (participates in β ladder)trans-106.1131.2167.6-760.2000109.5N587 A595 Q612 V615 P626 N627 Q628N587-N607 VanDerWaalsContact CB-OD1 3.29Å; N587-N607 WeakPolarHBondContact CB-OD1 3.08Å; N587-N607 PolarHBondContact N-OD1 2.9Å; N587-N607 WeakPolarHBondContact O-CA 2.92Å; A595-N607 VanDerWaalsContact CB-OD1 3.29Å; A595-N607 WeakPolarHBondContact CB-OD1 3.35Å; N607-Q612 HydrophobicContact CB-CG 4.32Å; N607-V615 HydrophobicContact CB-CG2 4.06Å; N607-V615 WeakPolarHBondContact ND2-CG2 3.04Å; N607-P626 PolarHBondContact N-O 3.29Å; N607-N627 WeakPolarHBondContact O-CA 3.37Å; N607-N627 PolarHBondContact O-OD1 3.42Å; N607-Q628 PolarHBondContact O-N 3.16Å
608Q62.6Low61.7Low86 Ų8648.5 Ų48.540%0.40225%0.245SC..EExtended strand (participates in β ladder)trans-129129.1177.4-61-175.226.400110.2N587 Q588 G589 Q612 Q628N587-Q608 PolarHBondContact O-N 2.9Å; N587-Q608 VanDerWaalsContact O-N 3.1Å; Q588-Q608 VanDerWaalsContact CA-O 3.31Å; Q588-Q608 WeakPolarHBondContact CA-O 3.36Å; Q588-Q608 HydrophobicContact CG-CB 4.27Å; G589-Q608 PolarHBondContact N-O 2.87Å; Q608-Q612 PolarHBondContact O-NE2 2.93Å; Q608-Q612 VanDerWaalsContact O-NE2 3.1Å; Q608-Q628 WeakPolarHBondContact CA-O 3.29Å; Q608-Q628 HydrophobicContact CG-CB 4.39Å
609G62Low61.2Low20 Ų2045.1 Ų45.121%0.20623%0.229CC..EExtended strand (participates in β ladder)trans174.5177.7-17800000117.5G589 Q628 G629G589-G609 CarbonylContact O-C 3.58Å; G589-G609 WeakPolarHBondContact O-CA 3.41Å; G609-Q628 PolarHBondContact N-O 2.92Å; G609-G629 WeakPolarHBondContact O-CA 3.37Å
610T62.3Low60.8Low55 Ų5550.7 Ų50.734%0.33725%0.253SS..EExtended strand (participates in β ladder)trans-76.2-40.8178.6-42.10000111.8G589 K590 K630 K631G589-T610 PolarHBondContact O-N 3.48Å; K590-T610 VanDerWaalsContact O-CB 3.3Å; K590-T610 WeakPolarHBondContact O-CB 3.4Å; K590-T610 PolarHBondContact O-N 2.81Å; T610-K630 HydrophobicContact CG2-CB 4.13Å; T610-K630 HydrophobicContact CG2-CD 3.7Å; T610-K630 HydrophobicContact CG2-CG 3.9Å; T610-K630 WeakPolarHBondContact O-CA 3.45Å; T610-K630 WeakPolarHBondContact O-CB 2.99Å; T610-K630 PolarHBondContact O-N 2.88Å; T610-K631 PolarHBondContact O-N 3.28Å; T610-K631 VanDerWaalsContact O-N 3.11Å
611K62.8Low60.5Low113 Ų11349.2 Ų49.249%0.49125%0.25SS..EExtended strand (participates in β ladder)trans-133.6123172.4-61.1-172178.2-1670108.8K590 K591 G592 K631K590-K611 PolarHBondContact O-N 2.96Å; K591-K611 WeakPolarHBondContact CA-O 3.27Å; K591-K611 HydrophobicContact CG-CB 4.37Å; G592-K611 PolarHBondContact N-O 3.5Å; G592-K611 VanDerWaalsContact N-O 3.1Å; K611-K631 WeakPolarHBondContact CA-O 3.37Å
612Q60.2Low60.3Low3 Ų343.7 Ų43.71%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-131.9130.4-179.3-69-68.1-18.400109.8G589 G592 N607 Q608 N627 K631 A632 E633G589-Q612 PolarHBondContact O-NE2 2.86Å; G592-Q612 WeakPolarHBondContact O-CA 3.28Å; G592-Q612 PolarHBondContact O-OE1 2.9Å; N607-Q612 HydrophobicContact CB-CG 4.32Å; Q608-Q612 PolarHBondContact O-NE2 2.93Å; Q608-Q612 VanDerWaalsContact O-NE2 3.1Å; Q612-N627 WeakPolarHBondContact CB-OD1 3.28Å; Q612-K631 PolarHBondContact N-O 2.87Å; Q612-K631 VanDerWaalsContact N-O 3.12Å; Q612-A632 WeakPolarHBondContact O-CA 3.31Å; Q612-E633 PolarHBondContact O-N 3.31Å
613E61.4Low60Low98 Ų9847.7 Ų47.746%0.45825%0.245SC..EExtended strand (participates in β ladder)trans-110.8117.5174-71.9174.6-160.200109.1G592 E593 G594G592-E613 PolarHBondContact O-N 3.32Å; E593-E613 HydrophobicContact CG-CB 4.2Å; G594-E613 PolarHBondContact N-O 2.89Å
614G57.5Low59.6Low14 Ų1445.3 Ų45.314%0.14424%0.237CC..EExtended strand (participates in β ladder)trans71.2117.5160.900000118.8G594 A595 E633 A635G594-G614 CarbonylContact C-O 3.6Å; G594-G614 WeakPolarHBondContact CA-O 3.27Å; A595-G614 PolarHBondContact N-O 3.47Å; A595-G614 VanDerWaalsContact N-O 3.11Å; G614-E633 PolarHBondContact N-O 2.92Å; G614-A635 VanDerWaalsContact CA-CB 3.43Å
615V58.8Low59.5Low8 Ų842 Ų425%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-112.2116.9155.9178.30000107.5A595 V605 N607 A635A595-V615 HydrophobicContact CB-CG2 4.5Å; A595-V615 CarbonylContact O-C 3.55Å; A595-V615 WeakPolarHBondContact O-CA 2.93Å; V605-V615 HydrophobicContact CB-CG1 4.08Å; V605-V615 HydrophobicContact CG1-CG1 3.41Å; V605-V615 VanDerWaalsContact CG1-CG1 3.41Å; N607-V615 HydrophobicContact CB-CG2 4.06Å; N607-V615 WeakPolarHBondContact ND2-CG2 3.04Å; V615-A635 WeakPolarHBondContact O-CB 3.34Å
616S60.3Low59.4Low35 Ų3543.6 Ų43.625%0.24523%0.227CC..EExtended strand (participates in β ladder)trans-112.3112.5-178.2168.20000110.4A595 S596 N597A595-S616 PolarHBondContact O-N 2.84Å; S596-S616 WeakPolarHBondContact CA-O 3.38Å; N597-S616 PolarHBondContact N-O 3.39Å
617N57.9Low59.1Low0 Ų043.3 Ų43.30%022%0.224CC..EExtended strand (participates in β ladder)trans-115.8122.6173.5-52.3-47.5000111.4N597 V619 S625 N637 Q638N597-N617 VanDerWaalsContact CB-OD1 3.23Å; N597-N617 WeakPolarHBondContact CB-OD1 3.34Å; N597-N617 WeakPolarHBondContact O-CA 3.38Å; N617-V619 HydrophobicContact CB-CG1 4.4Å; N617-V619 HydrophobicContact CB-CG2 3.69Å; N617-S625 PolarHBondContact ND2-OG 3.1Å; N617-N637 WeakPolarHBondContact CA-OD1 3.44Å; N617-N637 WeakPolarHBondContact CB-OD1 3.38Å; N617-N637 PolarHBondContact N-OD1 2.88Å; N617-N637 PolarHBondContact ND2-OD1 2.89Å; N617-N637 PolarHBondContact O-OD1 2.93Å; N617-Q638 PolarHBondContact O-N 3.26Å
618Q60.7Low59Low98 Ų9847 Ų4746%0.45824%0.241SC..BIsolated β-bridgetrans-105.192.4167.3-69.8-177.514.700108.5N597 Q598N597-Q618 PolarHBondContact O-N 2.88Å; N597-Q618 VanDerWaalsContact O-N 3.16Å; Q598-Q618 HydrophobicContact CG-CB 4.35Å
619V58.9Low58.9Low6 Ų644 Ų444%0.03623%0.233CC..  trans-140.8141.6-164.3-81.50000112N599 T602 N617 Q638 G639N599-V619 HydrophobicContact CB-CG1 4.34Å; N599-V619 VanDerWaalsContact O-CA 3.26Å; N599-V619 WeakPolarHBondContact O-CA 3.41Å; N599-V619 WeakPolarHBondContact O-CG1 3.4Å; T602-V619 VanDerWaalsContact OG1-CG1 3.29Å; T602-V619 WeakPolarHBondContact OG1-CG1 3.31Å; N617-V619 HydrophobicContact CB-CG1 4.4Å; N617-V619 HydrophobicContact CB-CG2 3.69Å; V619-Q638 PolarHBondContact N-O 2.83Å; V619-G639 WeakPolarHBondContact O-CA 3.38Å
620K59.6Low58.6Low124 Ų12449.2 Ų49.254%0.53925%0.25SS..SBendtrans-74-36176.7-66.3-175.3178.3-177.20112.1R600 K640 K641R600-K620 WeakPolarHBondContact O-CB 3.44Å; R600-K620 PolarHBondContact O-N 2.93Å; K620-K640 PolarHBondContact O-N 3.12Å; K620-K641 PolarHBondContact O-N 2.87Å
621K58.6Low58.4Low96 Ų9650.2 Ų50.242%0.41725%0.25SC..EExtended strand (participates in β ladder)trans-142.9133.9176.5-169.4-168.9179.6-1490109.6R600 T602 E623 K641R600-K621 PolarHBondContact O-N 2.8Å; T602-K621 PolarHBondContact N-O 3.26Å; K621-E623 IonicContact NZ-OE1 3.49Å; K621-E623 PolarHBondContact NZ-OE1 3.04Å; K621-K641 WeakPolarHBondContact CA-O 3.37Å
622S58.2Low58.2Low3 Ų345 Ų452%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-143.9142.6173.858.90000112.8T602 K642T602-S622 WeakPolarHBondContact O-CA 3.39Å; S622-K642 WeakPolarHBondContact OG-CG 3.42Å
623E56.4Low58Low86 Ų8647.9 Ų47.940%0.40224%0.241SC..EExtended strand (participates in β ladder)trans-103.3113170-67.4175.1-165.200108.5T602 T604 K621T602-E623 PolarHBondContact O-N 2.96Å; T604-E623 PolarHBondContact N-O 2.89Å; T604-E623 VanDerWaalsContact N-O 3.07Å; K621-E623 IonicContact NZ-OE1 3.49Å; K621-E623 PolarHBondContact NZ-OE1 3.04Å
624G51.9Low57.7Low18 Ų1845.1 Ų45.119%0.18624%0.238CC..  trans61.3123.5168.300000117.8T604 V605T604-G624 WeakPolarHBondContact CA-O 3.36Å; V605-G624 PolarHBondContact N-O 3.36Å
625S56.3Low57.6Low8 Ų845.4 Ų45.46%0.05624%0.239CC..  trans-128.970.4166.4-610000112.2V605 N617 S645V605-S625 CarbonylContact O-C 3.58Å; V605-S625 WeakPolarHBondContact O-CA 3.17Å; N617-S625 PolarHBondContact ND2-OG 3.1Å; S625-S645 PolarHBondContact N-OG 2.92Å; S625-S645 WeakPolarHBondContact O-CB 3.43Å
626P57.9Low57.3Low32 Ų3248.8 Ų48.821%0.20826%0.262CS..  trans-68.1135.1-175.826.4-33.5000112.5V605 A606 N607 P646V605-P626 WeakPolarHBondContact O-CD 3.43Å; A606-P626 WeakPolarHBondContact CA-O 3.29Å; A606-P626 HydrophobicContact CB-CG 4.04Å; N607-P626 PolarHBondContact N-O 3.29Å; P626-P646 VanDerWaalsContact CA-O 3.22Å; P626-P646 WeakPolarHBondContact CA-O 3.46Å; P626-P646 HydrophobicContact CB-CG 4.37Å
627N55.8Low56.8Low7 Ų747.8 Ų47.84%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-120.7118.3169.4-164.8-3.2000108.6N607 Q612 P646 S647 Q648N607-N627 WeakPolarHBondContact O-CA 3.37Å; N607-N627 PolarHBondContact O-OD1 3.42Å; Q612-N627 WeakPolarHBondContact CB-OD1 3.28Å; N627-P646 PolarHBondContact N-O 2.87Å; N627-S647 VanDerWaalsContact O-CA 3.31Å; N627-S647 WeakPolarHBondContact O-CA 3.42Å; N627-Q648 PolarHBondContact O-N 3.47Å; N627-Q648 VanDerWaalsContact O-N 3.09Å
628Q59.4Low56.7Low78 Ų7852.6 Ų52.636%0.36428%0.276SS..EExtended strand (participates in β ladder)trans-118.9127.1-176.4-65.7-175.6-10.300110.7N607 Q608 G609 Q648N607-Q628 PolarHBondContact O-N 3.16Å; Q608-Q628 WeakPolarHBondContact CA-O 3.29Å; Q608-Q628 HydrophobicContact CG-CB 4.39Å; G609-Q628 PolarHBondContact N-O 2.92Å; Q628-Q648 WeakPolarHBondContact CA-O 3.41Å; Q628-Q648 HydrophobicContact CG-CB 4.36Å
629G59.6Low56.4Low22 Ų2248.8 Ų48.823%0.22726%0.263CS..EExtended strand (participates in β ladder)trans-176.9-170.1176.900000117.9G609 Q648 A649G609-G629 WeakPolarHBondContact O-CA 3.37Å; G629-Q648 PolarHBondContact N-O 3.33Å; G629-A649 WeakPolarHBondContact O-CA 3.44Å; G629-A649 WeakPolarHBondContact O-CB 3.3Å
630K57.2Low56.1Low130 Ų13054.6 Ų54.657%0.56529%0.288SS*.EExtended strand (participates in β ladder)trans-84.3-37.7172.1-63.7-169.3-175.1-178.70111.4T610 K650 K651T610-K630 HydrophobicContact CG2-CB 4.13Å; T610-K630 HydrophobicContact CG2-CD 3.7Å; T610-K630 HydrophobicContact CG2-CG 3.9Å; T610-K630 WeakPolarHBondContact O-CA 3.45Å; T610-K630 WeakPolarHBondContact O-CB 2.99Å; T610-K630 PolarHBondContact O-N 2.88Å; K630-K650 WeakPolarHBondContact O-CB 3.32Å; K630-K650 PolarHBondContact O-N 3.45Å; K630-K651 PolarHBondContact O-N 2.91Å; K630-K651 VanDerWaalsContact O-N 3.17Å
631K57.4Low55.8Low76 Ų7654.7 Ų54.733%0.3329%0.288SS..EExtended strand (participates in β ladder)trans-132.3126.3171.1-168.4-170-178.7-143.70108.5T610 K611 Q612 E633 K651T610-K631 PolarHBondContact O-N 3.28Å; T610-K631 VanDerWaalsContact O-N 3.11Å; K611-K631 WeakPolarHBondContact CA-O 3.37Å; Q612-K631 PolarHBondContact N-O 2.87Å; Q612-K631 VanDerWaalsContact N-O 3.12Å; K631-E633 IonicContact NZ-OE1 2.67Å; K631-E633 PolarHBondContact NZ-OE1 3.27Å; K631-K651 WeakPolarHBondContact CA-O 3.31Å; K631-K651 HydrophobicContact CG-CB 4.34Å
632A58.5Low55.5Low2 Ų251.5 Ų51.52%0.01728%0.275CS..EExtended strand (participates in β ladder)trans-131.3126176.200000110Q612 A649 K651 V652 D653Q612-A632 WeakPolarHBondContact O-CA 3.31Å; A632-A649 HydrophobicContact CB-CB 4.06Å; A632-K651 PolarHBondContact N-O 3.18Å; A632-K651 VanDerWaalsContact N-O 3.1Å; A632-V652 WeakPolarHBondContact O-CA 3.47Å; A632-D653 PolarHBondContact O-N 2.84Å; A632-D653 VanDerWaalsContact O-N 3.1Å
633E56.9Low55.2Low65 Ų6555.4 Ų55.430%0.30430%0.295SS..EExtended strand (participates in β ladder)trans-100.1125167.7-88.3166.6-143.500108.5Q612 G614 K631 D653Q612-E633 PolarHBondContact O-N 3.31Å; G614-E633 PolarHBondContact N-O 2.92Å; K631-E633 IonicContact NZ-OE1 2.67Å; K631-E633 PolarHBondContact NZ-OE1 3.27Å; E633-D653 HydrophobicContact CG-CB 3.82Å; E633-D653 WeakPolarHBondContact CG-OD2 3.36Å
634G53.4Low54.7Low39 Ų3952.3 Ų52.340%0.40229%0.287SS..  trans-69.6151.7173.200000111.2D653 A655G634-D653 PolarHBondContact N-O 3.41Å; G634-A655 VanDerWaalsContact C-CB 3.41Å; G634-A655 WeakPolarHBondContact O-CB 3.31Å
635A55.5Low54.7Low20 Ų2052.9 Ų52.917%0.16529%0.288CS..  trans-112.3158.9164.800000110.2G614 V615 A655G614-A635 VanDerWaalsContact CA-CB 3.43Å; V615-A635 WeakPolarHBondContact O-CB 3.34Å; A635-A655 VanDerWaalsContact C-CB 3.41Å; A635-A655 WeakPolarHBondContact O-CB 3.44Å
636P53.4Low54.5Low79 Ų7955.3 Ų55.351%0.51330%0.303SS..  trans-60.2144.1-178.2-19.930.4000112
637N49.9Very low54.2Low15 Ų1555 Ų558%0.0830%0.302CS..EExtended strand (participates in β ladder)trans-136.1112.2-173.2-109.2-28.4000107.1N617 K642 N657 Q658N617-N637 WeakPolarHBondContact CA-OD1 3.44Å; N617-N637 WeakPolarHBondContact CB-OD1 3.38Å; N617-N637 PolarHBondContact N-OD1 2.88Å; N617-N637 PolarHBondContact ND2-OD1 2.89Å; N617-N637 PolarHBondContact O-OD1 2.93Å; N637-K642 VanDerWaalsContact CB-NZ 3.28Å; N637-N657 WeakPolarHBondContact CB-OD1 3.42Å; N637-Q658 PolarHBondContact O-N 3.22Å
638Q54.9Low54.1Low101 Ų10159 Ų5947%0.47232%0.32SS..EExtended strand (participates in β ladder)trans-111.5129.3-174-65.31808.300110.5N617 V619N617-Q638 PolarHBondContact O-N 3.26Å; V619-Q638 PolarHBondContact N-O 2.83Å
639G54.3Low54Low18 Ų1855.7 Ų55.719%0.18631%0.306CS..EExtended strand (participates in β ladder)trans-177.5169.2179.500000117.3V619 Q658 G659V619-G639 WeakPolarHBondContact O-CA 3.38Å; G639-Q658 PolarHBondContact N-O 3.04Å; G639-Q658 VanDerWaalsContact N-O 3.12Å; G639-G659 WeakPolarHBondContact O-CA 3.31Å
640K53.9Low53.8Low127 Ų12760.7 Ų60.755%0.55232%0.322SS*.SBendtrans-87.9-35-175.8-67.2-168.2178.9-169.20114.3K620 K661K620-K640 PolarHBondContact O-N 3.12Å; K640-K661 PolarHBondContact O-N 2.95Å
641K52.9Low53.5Low127 Ų12759.9 Ų59.955%0.55232%0.318SS*.EExtended strand (participates in β ladder)trans-146.6133.4-177.9-63.8-171.8179.5-173.80111K620 K621 K661K620-K641 PolarHBondContact O-N 2.87Å; K621-K641 WeakPolarHBondContact CA-O 3.37Å; K641-K661 WeakPolarHBondContact CA-O 3.47Å; K641-K661 HydrophobicContact CG-CB 4.49Å
642K51.6Low53.4Low29 Ų2956.6 Ų56.613%0.12631%0.305CS..EExtended strand (participates in β ladder)trans-147.9144178.9-61.5-168.6176.4-177.90113.5S622 N637 K661 E663S622-K642 WeakPolarHBondContact OG-CG 3.42Å; N637-K642 VanDerWaalsContact CB-NZ 3.28Å; K642-K661 PolarHBondContact N-O 2.87Å; K642-E663 PolarHBondContact O-N 3.21Å
643D52Low53.3Low84 Ų8459.2 Ų59.245%0.44932%0.318SS..EExtended strand (participates in β ladder)trans-92.7145.7162.4-54.3-37.6000108.8
644G46.6Very low53.1Low22 Ų2258.2 Ų58.223%0.22732%0.321CS..  trans-53.7147.7-165.400000115.9P646 E663G644-P646 WeakPolarHBondContact O-CD 3.26Å; G644-E663 WeakPolarHBondContact CA-O 3.41Å; G644-E663 PolarHBondContact N-O 2.77Å
645S51.8Low53.1Low30 Ų3057.8 Ų57.821%0.2131%0.314CS..  trans-107.695.8176.4-64.80000110S625 S647S625-S645 PolarHBondContact N-OG 2.92Å; S625-S645 WeakPolarHBondContact O-CB 3.43Å; S645-S647 PolarHBondContact O-N 2.93Å
646P52.2Low52.9Low58 Ų5858.6 Ų58.638%0.37732%0.321SS..  trans-67.3123.6-179.423.6-29.8000110.1P626 N627 G644 A665P626-P646 VanDerWaalsContact CA-O 3.22Å; P626-P646 WeakPolarHBondContact CA-O 3.46Å; P626-P646 HydrophobicContact CB-CG 4.37Å; N627-P646 PolarHBondContact N-O 2.87Å; G644-P646 WeakPolarHBondContact O-CD 3.26Å; P646-A665 HydrophobicContact CB-CB 4.23Å
647S50.5Low52.6Low27 Ų2758.1 Ų58.119%0.18931%0.314CS..EExtended strand (participates in β ladder)trans-107122.6168.5-67.70000108.8N627 S645 A667 Q668N627-S647 VanDerWaalsContact O-CA 3.31Å; N627-S647 WeakPolarHBondContact O-CA 3.42Å; S645-S647 PolarHBondContact O-N 2.93Å; S647-A667 WeakPolarHBondContact O-CA 3.23Å; S647-Q668 PolarHBondContact O-N 3.11Å
648Q55.2Low52.7Low89 Ų8963.7 Ų63.742%0.41634%0.339SS..EExtended strand (participates in β ladder)trans-113.7107.1176.4-74.5-179.5-6.400108.6N627 Q628 G629 Q668N627-Q648 PolarHBondContact O-N 3.47Å; N627-Q648 VanDerWaalsContact O-N 3.09Å; Q628-Q648 WeakPolarHBondContact CA-O 3.41Å; Q628-Q648 HydrophobicContact CG-CB 4.36Å; G629-Q648 PolarHBondContact N-O 3.33Å; Q648-Q668 HydrophobicContact CG-CB 4.22Å
649A57.1Low52.4Low9 Ų960.8 Ų60.87%0.07434%0.337CS..EExtended strand (participates in β ladder)trans-153.4154.5171.200000113.7G629 A632 K651 V652 Q668 G669G629-A649 WeakPolarHBondContact O-CA 3.44Å; G629-A649 WeakPolarHBondContact O-CB 3.3Å; A632-A649 HydrophobicContact CB-CB 4.06Å; A649-K651 WeakPolarHBondContact CB-O 3.45Å; A649-K651 PolarHBondContact O-N 3.48Å; A649-V652 HydrophobicContact CB-CG2 3.75Å; A649-Q668 PolarHBondContact N-O 3.06Å; A649-G669 WeakPolarHBondContact O-CA 2.87Å
650K54.3Low52.3Low128 Ų12868.7 Ų68.756%0.55737%0.366SS*.EExtended strand (participates in β ladder)trans-59.2-35176.5-63.7-168.2175.9-161.40112.2K630 Q670 K671K630-K650 WeakPolarHBondContact O-CB 3.32Å; K630-K650 PolarHBondContact O-N 3.45Å; K650-Q670 PolarHBondContact O-N 2.94Å; K650-Q670 VanDerWaalsContact O-N 3.15Å; K650-K671 PolarHBondContact O-N 3.36Å
651K52.3Low52Low112 Ų11269.7 Ų69.749%0.48737%0.37SS..EExtended strand (participates in β ladder)trans-128.9127.3169.9-65.6-169.5178.8-169.10109.9K630 K631 A632 A649 K671K630-K651 PolarHBondContact O-N 2.91Å; K630-K651 VanDerWaalsContact O-N 3.17Å; K631-K651 WeakPolarHBondContact CA-O 3.31Å; K631-K651 HydrophobicContact CG-CB 4.34Å; A632-K651 PolarHBondContact N-O 3.18Å; A632-K651 VanDerWaalsContact N-O 3.1Å; A649-K651 WeakPolarHBondContact CB-O 3.45Å; A649-K651 PolarHBondContact O-N 3.48Å; K651-K671 WeakPolarHBondContact CA-O 3.39Å; K651-K671 HydrophobicContact CG-CB 4.39Å
652V54Low51.7Low8 Ų866.8 Ų66.85%0.04837%0.366CS..EExtended strand (participates in β ladder)trans-126122.7177.3-179.80000108.8A632 A649 A667 K671 A672 S673A632-V652 WeakPolarHBondContact O-CA 3.47Å; A649-V652 HydrophobicContact CB-CG2 3.75Å; V652-A667 HydrophobicContact CG1-CB 4.29Å; V652-K671 PolarHBondContact N-O 3.23Å; V652-A672 WeakPolarHBondContact O-CA 3.48Å; V652-S673 PolarHBondContact O-N 3.05Å
653D57.3Low51.6Low56 Ų5672.4 Ų72.430%0.29939%0.393SS..EExtended strand (participates in β ladder)trans-100.2108.9167.2-59.8-42.5000107A632 E633 G634 S673A632-D653 PolarHBondContact O-N 2.84Å; A632-D653 VanDerWaalsContact O-N 3.1Å; E633-D653 HydrophobicContact CG-CB 3.82Å; E633-D653 WeakPolarHBondContact CG-OD2 3.36Å; G634-D653 PolarHBondContact N-O 3.41Å; D653-S673 PolarHBondContact OD1-OG 3.01Å; D653-S673 VanDerWaalsContact OD1-OG 3.13Å
654A52.3Low51.2Low44 Ų4475 Ų7536%0.36440%0.404SS..EExtended strand (participates in β ladder)trans-80.5129-174.400000111
655A53.2Low51.4Low30 Ų3075.4 Ų75.425%0.24841%0.405CS..PPolyproline II helixtrans-84.6151.7170.400000112.1G634 A635 N657G634-A655 VanDerWaalsContact C-CB 3.41Å; G634-A655 WeakPolarHBondContact O-CB 3.31Å; A635-A655 VanDerWaalsContact C-CB 3.41Å; A635-A655 WeakPolarHBondContact O-CB 3.44Å; A655-N657 PolarHBondContact O-N 2.86Å
656A51.3Low51.1Low38 Ų3878.5 Ų78.531%0.31443%0.425SS..PPolyproline II helixtrans-61.9121.617500000111.4
657N47.2Very low51Low69 Ų6978.1 Ų78.137%0.36943%0.426SS..EExtended strand (participates in β ladder)trans-92.8132166.9-83.1-48.4000108.8N637 A655N637-N657 WeakPolarHBondContact CB-OD1 3.42Å; A655-N657 PolarHBondContact O-N 2.86Å
658Q51.6Low51Low131 Ų13182.5 Ų82.561%0.61244%0.444SS*.EExtended strand (participates in β ladder)trans-117.3118.7171.6-66.4-176.421.200109.3N637 G639N637-Q658 PolarHBondContact O-N 3.22Å; G639-Q658 PolarHBondContact N-O 3.04Å; G639-Q658 VanDerWaalsContact N-O 3.12Å
659G49.2Very low50.7Low41 Ų4180 Ų8042%0.42344%0.442SS..EExtended strand (participates in β ladder)trans-167155.4173.500000114.4G639 K661G639-G659 WeakPolarHBondContact O-CA 3.31Å; G659-K661 VanDerWaalsContact C-N 3.32Å; G659-K661 PolarHBondContact O-N 3.2Å
660K52Low50.5Low184 Ų18487.4 Ų87.480%0.848%0.475SS*.SBendtrans-74.1-21.3-176.3-63.6-165.5177.2-159.50113.7
661K48.1Very low50.1Low147 Ų14788.3 Ų88.364%0.63948%0.479SS*.SBendtrans-147.4107.7173.8-70.2-166.7176.6-1610108.5K640 K641 K642 G659K640-K661 PolarHBondContact O-N 2.95Å; K641-K661 WeakPolarHBondContact CA-O 3.47Å; K641-K661 HydrophobicContact CG-CB 4.49Å; K642-K661 PolarHBondContact N-O 2.87Å; G659-K661 VanDerWaalsContact C-N 3.32Å; G659-K661 PolarHBondContact O-N 3.2Å
662S46.6Very low49.7Very low66 Ų6686.4 Ų86.446%0.46248%0.484SS..BIsolated β-bridgetrans-131.5121.8175.654.10000109.5
663E48.1Very low49.3Very low147 Ų14789 Ų8969%0.68750%0.503SS*.PPolyproline II helixtrans-85.6121.2158.6-77-178.3173.300107.9K642 G644 A665K642-E663 PolarHBondContact O-N 3.21Å; G644-E663 WeakPolarHBondContact CA-O 3.41Å; G644-E663 PolarHBondContact N-O 2.77Å; E663-A665 PolarHBondContact O-N 3.35Å
664M44.9Very low48.5Very low140 Ų14093.3 Ų93.369%0.6952%0.523SS*.PPolyproline II helixtrans-78.2118.6172-89161.953.400108.6M674M664-M674 HydrophobicContact CE-CE 3.86Å
665A49.6Very low47.9Very low29 Ų2996 Ų9624%0.2454%0.535CS..PPolyproline II helixtrans-70.6146.2160.600000109P646 E663 A667P646-A665 HydrophobicContact CB-CB 4.23Å; E663-A665 PolarHBondContact O-N 3.35Å; A665-A667 PolarHBondContact O-N 2.67Å
666P47.2Very low47Very low96 Ų96102.9 Ų102.962%0.62356%0.562SS**PPolyproline II helixtrans-62.1134.2177.624.2-32.4000111
667A49.5Very low46.1Very low50 Ų50104.3 Ų104.341%0.41357%0.569SS.*EExtended strand (participates in β ladder)trans-81113.2162.600000107.6S647 V652 A665S647-A667 WeakPolarHBondContact O-CA 3.23Å; V652-A667 HydrophobicContact CG1-CB 4.29Å; A665-A667 PolarHBondContact O-N 2.67Å
668Q49.5Very low45.5Very low119 Ų119110.4 Ų110.456%0.55660%0.595SS**EExtended strand (participates in β ladder)trans-91.3108.8175.3-72.1-179.1-36.600108.6S647 Q648 A649S647-Q668 PolarHBondContact O-N 3.11Å; Q648-Q668 HydrophobicContact CG-CB 4.22Å; A649-Q668 PolarHBondContact N-O 3.06Å
669G48.7Very low44.5Very low36 Ų36112.5 Ų112.537%0.37161%0.605SS.*  trans-156.8152.8174.500000113.2A649 K671A649-G669 WeakPolarHBondContact O-CA 2.87Å; G669-K671 VanDerWaalsContact C-N 3.27Å; G669-K671 PolarHBondContact O-N 3.24Å
670Q53.8Low43.6Very low164 Ų164114.7 Ų114.777%0.76662%0.619SS**SBendtrans-72.1-23.6179.8-70.5-172.6-37.100112.2K650K650-Q670 PolarHBondContact O-N 2.94Å; K650-Q670 VanDerWaalsContact O-N 3.15Å
671K46.4Very low42.7Very low147 Ų147111.4 Ų111.464%0.63962%0.617SS**EExtended strand (participates in β ladder)trans-139.5109.4171.6-56.2-166.8-176.8-156.60109.2K650 K651 V652 G669K650-K671 PolarHBondContact O-N 3.36Å; K651-K671 WeakPolarHBondContact CA-O 3.39Å; K651-K671 HydrophobicContact CG-CB 4.39Å; V652-K671 PolarHBondContact N-O 3.23Å; G669-K671 VanDerWaalsContact C-N 3.27Å; G669-K671 PolarHBondContact O-N 3.24Å
672A43.9Very low42Very low72 Ų72113.7 Ų113.760%0.59563%0.626SS**EExtended strand (participates in β ladder)trans-113.4126.517300000108.7V652V652-A672 WeakPolarHBondContact O-CA 3.48Å
673S44.5Very low41.3Very low64 Ų64119.3 Ų119.345%0.44865%0.646SS.*EExtended strand (participates in β ladder)trans-104.3124.5167.1590000109.4V652 D653V652-S673 PolarHBondContact O-N 3.05Å; D653-S673 PolarHBondContact OD1-OG 3.01Å; D653-S673 VanDerWaalsContact OD1-OG 3.13Å
674M40.8Very low40.7Very low145 Ų145119.7 Ų119.771%0.71465%0.652SS**EExtended strand (participates in β ladder)trans-95.2117.8-176-151.8178.9-158.100109M664M664-M674 HydrophobicContact CE-CE 3.86Å
675V39.5Very low40.1Very low102 Ų102118 Ų11862%0.61866%0.661SS**  trans-87.6107.8165.6-178.70000106.9S677V675-S677 PolarHBondContact O-N 3.3Å
676Q35.1Very low39.4Very low174 Ų174122.5 Ų122.581%0.81369%0.687SS**  trans-63.6120.3178.6-81.5176.6-23.400110.3Q678Q676-Q678 PolarHBondContact O-N 2.68Å
677S32.7Very low38.8Very low67 Ų67123 Ų12347%0.46970%0.699SS.*  trans-62.2120.6164.3-72.80000108.6V675 E679V675-S677 PolarHBondContact O-N 3.3Å; S677-E679 PolarHBondContact O-N 3.02Å
678Q32.7Very low38.3Very low197 Ų197130.6 Ų130.692%0.92172%0.723SS**  trans-62.1108.8166.9-71.2-173.943.900108.3Q676 A680Q676-Q678 PolarHBondContact O-N 2.68Å; Q678-A680 PolarHBondContact O-N 2.69Å
679E31.5Very low37.5Very low176 Ų176134.7 Ų134.782%0.82274%0.739SS**PPolyproline II helixtrans-65.3124.7169.5-160.6168.2166.800107.8S677S677-E679 PolarHBondContact O-N 3.02Å
680A30.8Very low37.1Very low86 Ų86143.2 Ų143.271%0.71177%0.766SS**PPolyproline II helixtrans-58.5127.4179.900000109.1Q678 K682Q678-A680 PolarHBondContact O-N 2.69Å; A680-K682 PolarHBondContact O-N 3.42Å
681P32.2Very low36.2Very low116 Ų116141.1 Ų141.175%0.75377%0.769SS**PPolyproline II helixtrans-70.1121.1-163.426.4-33.3000110.6Q683P681-Q683 PolarHBondContact O-N 2.85Å
682K34.6Very low35.7Very low194 Ų194138 Ų13884%0.84378%0.779SS**  trans-75.8112.8158.5-69.8-179.8-179.2172.20106.8A680 D684A680-K682 PolarHBondContact O-N 3.42Å; K682-D684 PolarHBondContact O-N 3.3Å
683Q31.9Very low35.4Very low185 Ų185140.4 Ų140.486%0.86479%0.792SS**  trans-70.2108.3178.4-68.1176.9-48.200109.3P681P681-Q683 PolarHBondContact O-N 2.85Å
684D34.6Very low35Very low155 Ų155149 Ų14983%0.82981%0.814SS**  trans-136.6114.2156.1-82.9-45.8000107.5K682K682-D684 PolarHBondContact O-N 3.3Å
685A32Very low34.8Very low105 Ų105151.8 Ų151.887%0.86882%0.822SS**PPolyproline II helixtrans-86.9126.8-168.600000112.1
686P34.4Very low34.9Very low123 Ų123156.9 Ų156.980%0.79984%0.836SS**PPolyproline II helixtrans-98.1147.5175.334.9-30.1000113.3
687A35.5Very low35.1Very low105 Ų105152.2 Ų152.287%0.86883%0.834SS**PPolyproline II helixtrans-64.5139.6-175.200000114.5
688K38.6Very low35.5Very low210 Ų210158.3 Ų158.391%0.91386%0.855SS**PPolyproline II helixtrans-80.5124.6179.3-70.6177.3177.3174.70111.5
689K34.2Very low36.1Very low206 Ų206154.4 Ų154.490%0.89685%0.847SS**  trans-131.2115.3153.9-76.9-170.9179.1-179.80108.7
690K38.6Very low36.4Very low214 Ų214152.4 Ų152.493%0.9385%0.847SS**  trans-144.2125154.5-91.4-160.7178.6-1770109.7
691S35.6Very low36.5Very low121 Ų121158 Ų15885%0.84688%0.879SS**  trans-87.3156.2177.2480000111.5
692G35Very low36.7Very low82 Ų82160.2 Ų160.285%0.84589%0.885SS**  trans91.39913800000117.8
693S38.3Very low36.8Very low122 Ų122158.4 Ų158.485%0.85389%0.887SS**  trans-141.4105.6150.3173.50000109.1
694R36.4Very low37.1Very low245 Ų245156.9 Ų156.993%0.92589%0.888SS**  trans-80.1133.9170.4-72.5174169.3175.8-4.4109.2
695K36.3Very low37.2Very low202 Ų202157 Ų15788%0.87889%0.892SS**  trans-165.2146.7152.8-133.9173.1-177.9178.90112.8
696K42.5Very low37.6Very low210 Ų210160.3 Ų160.391%0.91389%0.893SS**  trans100.589.5167.3-64.7-170.6171.9-172.70115.9
697G38.5Very low37.8Very low75 Ų75162.7 Ų162.777%0.77390%0.9SS**  trans-131.7120.2147.200000107.1
698E42Very low38Very low195 Ų195166.9 Ų166.991%0.91190%0.902SS**  trans-158.2115160.4-111.3-179.2150.400106.6
699P44.8Very low37.9Very low115 Ų115163.5 Ų163.575%0.74790%0.901SS**  trans-108.7131.9171.332.3-20.3000112.4
700V36.8Very low38.2Very low135 Ų135160 Ų16082%0.81890%0.902SS**  trans62.199.2137.1-167.70000118.4
701C33.8Very low38.2Very low204 Ų204155.1 Ų155.1100%1.37890%0.899SS**  -145.10112.3-88.90000108.9

Retrieved 701 of 701 residues in 139.8 ms (Link to these results)